smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[C@H]4[C@@H](F)C3)c(Cl)nn2)cc1 ZINC001164431773 718966698 /nfs/dbraw/zinc/96/66/98/718966698.db2.gz RZIVLYXNTKSEMT-NFAWXSAZSA-N 0 0 378.785 4.008 20 30 GIEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccnc(Cl)c1)[C@@H]2CC ZINC001164699580 719820733 /nfs/dbraw/zinc/82/07/33/719820733.db2.gz HIYQWDMHPBGKMP-QAPCUYQASA-N 0 0 383.870 4.206 20 30 GIEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)cc(Cl)n1 ZINC001164899291 721497453 /nfs/dbraw/zinc/49/74/53/721497453.db2.gz JPXDJDKXQJSBFY-RRQGHBQHSA-N 0 0 381.854 4.183 20 30 GIEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(C)nc(Cl)c1)CCO2 ZINC001164975568 722166619 /nfs/dbraw/zinc/16/66/19/722166619.db2.gz IDCNAMQEJYZFSS-CRAIPNDOSA-N 0 0 386.870 4.166 20 30 GIEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1ccc(C)c(Cl)n1)CCO2 ZINC001164978984 722168295 /nfs/dbraw/zinc/16/82/95/722168295.db2.gz STDCPTYOCQIUDD-QAPCUYQASA-N 0 0 386.870 4.166 20 30 GIEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(C)cc(Cl)n1)CCO2 ZINC001164975561 722168537 /nfs/dbraw/zinc/16/85/37/722168537.db2.gz IAPUEODOUKYDGL-CRAIPNDOSA-N 0 0 386.870 4.166 20 30 GIEDRN CC1(C)CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H]1C1CC1 ZINC000570488165 823045047 /nfs/dbraw/zinc/04/50/47/823045047.db2.gz NXVMNPQPNDRZEN-FQEVSTJZSA-N 0 0 388.471 4.463 20 30 GIEDRN Cc1occc1C(=O)Nc1nc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)cs1 ZINC000175808643 823045214 /nfs/dbraw/zinc/04/52/14/823045214.db2.gz ZLNGEUWWTJIJOX-GFCCVEGCSA-N 0 0 395.440 4.015 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)c1ccc(F)c(F)c1 ZINC000187337172 823045367 /nfs/dbraw/zinc/04/53/67/823045367.db2.gz BPQAPLDDVRMQRT-IBGZPJMESA-N 0 0 383.402 4.044 20 30 GIEDRN CC(C)CNC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1Cl ZINC000055804491 823046473 /nfs/dbraw/zinc/04/64/73/823046473.db2.gz LGVWKWNJRWJOJA-UHFFFAOYSA-N 0 0 383.879 4.169 20 30 GIEDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000175818375 823047256 /nfs/dbraw/zinc/04/72/56/823047256.db2.gz LXYVDACIMOXASX-OAHLLOKOSA-N 0 0 389.455 4.485 20 30 GIEDRN N#Cc1ccc(Oc2ccc(OC(=O)c3cccc(-n4cccn4)n3)cc2)cc1 ZINC000175819760 823047615 /nfs/dbraw/zinc/04/76/15/823047615.db2.gz LFZSYZAHLIMWHS-UHFFFAOYSA-N 0 0 382.379 4.150 20 30 GIEDRN CN(C(=O)c1ccc(I)c(Cl)c1)c1cccc(C#N)c1 ZINC000175820074 823047630 /nfs/dbraw/zinc/04/76/30/823047630.db2.gz AVBZZJUMLLXQTR-UHFFFAOYSA-N 0 0 396.615 4.093 20 30 GIEDRN CC(=O)NCc1ccc(C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000175820622 823047903 /nfs/dbraw/zinc/04/79/03/823047903.db2.gz WTTMPQZIOOTTDO-UHFFFAOYSA-N 0 0 386.407 4.206 20 30 GIEDRN N#Cc1ccc(Oc2ccc(OC(=O)[C@H]3CCCN3c3nccs3)cc2)cc1 ZINC000175821415 823048113 /nfs/dbraw/zinc/04/81/13/823048113.db2.gz GPAWVSNLQDAOTB-LJQANCHMSA-N 0 0 391.452 4.381 20 30 GIEDRN C=CC[C@H]1N(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)CCCC1(C)C ZINC000570511399 823048341 /nfs/dbraw/zinc/04/83/41/823048341.db2.gz UJOVEUKVBMSLIF-MRXNPFEDSA-N 0 0 383.319 4.317 20 30 GIEDRN N#Cc1cccc(COc2cccc(NCC(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000055843786 823052288 /nfs/dbraw/zinc/05/22/88/823052288.db2.gz BONHBBPKDIGEHB-UHFFFAOYSA-N 0 0 382.423 4.060 20 30 GIEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ncc(Cl)c(C)c1C#N ZINC000570546614 823052387 /nfs/dbraw/zinc/05/23/87/823052387.db2.gz RBOJOJQUMQVUIO-UHFFFAOYSA-N 0 0 396.800 4.399 20 30 GIEDRN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000055860662 823055160 /nfs/dbraw/zinc/05/51/60/823055160.db2.gz JEGBGUIUROYMPE-QGZVFWFLSA-N 0 0 385.261 4.063 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1cc(NC(=O)CC)ccc1C)c1ccccc1 ZINC000120739909 823055207 /nfs/dbraw/zinc/05/52/07/823055207.db2.gz VGYJBXYMPQHQAM-IBGZPJMESA-N 0 0 393.487 4.106 20 30 GIEDRN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1 ZINC000570561390 823055320 /nfs/dbraw/zinc/05/53/20/823055320.db2.gz OAZDBUMPJHAXOE-OAHLLOKOSA-N 0 0 395.894 4.394 20 30 GIEDRN C=CCn1c(SCc2nc(-c3ccccc3F)no2)nnc1-c1ccccn1 ZINC000187415594 823059189 /nfs/dbraw/zinc/05/91/89/823059189.db2.gz RKHAENMGVFQWQP-UHFFFAOYSA-N 0 0 394.435 4.008 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000120764675 823059593 /nfs/dbraw/zinc/05/95/93/823059593.db2.gz FIWQGRCYBZAEQE-MRXNPFEDSA-N 0 0 387.823 4.010 20 30 GIEDRN COc1cc2c(cc1CNC(=O)N[C@@H](CCCC#N)c1ccccc1)O[C@H](C)C2 ZINC000458584876 823059699 /nfs/dbraw/zinc/05/96/99/823059699.db2.gz QVXYBJWESPCLJS-UZLBHIALSA-N 0 0 393.487 4.253 20 30 GIEDRN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)n1 ZINC000187419422 823060167 /nfs/dbraw/zinc/06/01/67/823060167.db2.gz MLBKFHKXTASZHI-GOSISDBHSA-N 0 0 384.483 4.270 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1OC(F)F)c1ccccc1 ZINC000120769063 823060456 /nfs/dbraw/zinc/06/04/56/823060456.db2.gz VFDHIKGSODKCIK-OAHLLOKOSA-N 0 0 392.377 4.189 20 30 GIEDRN N#CCCC[C@H](NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccccc1 ZINC000458601021 823061868 /nfs/dbraw/zinc/06/18/68/823061868.db2.gz DCYSPEMKWXOUCU-BHIFYINESA-N 0 0 377.488 4.499 20 30 GIEDRN COc1ccc(-c2ccc(CNC(=O)Cc3cccc(OCC#N)c3)s2)cc1 ZINC000120778457 823062070 /nfs/dbraw/zinc/06/20/70/823062070.db2.gz KZDIHDXBLAWNRZ-UHFFFAOYSA-N 0 0 392.480 4.185 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000055891901 823062206 /nfs/dbraw/zinc/06/22/06/823062206.db2.gz YCIBHUZFXQQHKV-UHFFFAOYSA-N 0 0 389.499 4.255 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000120779130 823062361 /nfs/dbraw/zinc/06/23/61/823062361.db2.gz ZDGMCLACCOKTCF-AWEZNQCLSA-N 0 0 389.883 4.410 20 30 GIEDRN Cc1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)ccc1C(=O)NC(C)C ZINC000120780072 823062569 /nfs/dbraw/zinc/06/25/69/823062569.db2.gz NDUJLFGWOYBRTK-HXUWFJFHSA-N 0 0 378.476 4.300 20 30 GIEDRN COC[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000458635173 823067754 /nfs/dbraw/zinc/06/77/54/823067754.db2.gz YDEGCIQJMXHKOH-IBGZPJMESA-N 0 0 377.488 4.183 20 30 GIEDRN N#Cc1c(F)cccc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000187448258 823065458 /nfs/dbraw/zinc/06/54/58/823065458.db2.gz QUIJAUBJKMINCJ-UHFFFAOYSA-N 0 0 376.269 4.018 20 30 GIEDRN CC(C)(C#N)CNC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000458643062 823068482 /nfs/dbraw/zinc/06/84/82/823068482.db2.gz IBWSPDFOWGNASB-KRWDZBQOSA-N 0 0 378.501 4.429 20 30 GIEDRN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000055941542 823068810 /nfs/dbraw/zinc/06/88/10/823068810.db2.gz XKRURSCWISXXNH-GAJHUEQPSA-N 0 0 385.467 4.273 20 30 GIEDRN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000055941540 823068854 /nfs/dbraw/zinc/06/88/54/823068854.db2.gz XKRURSCWISXXNH-SBUREZEXSA-N 0 0 385.467 4.273 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)[C@H]2C[C@@H](C)CCN2C1=O ZINC000570669101 823069528 /nfs/dbraw/zinc/06/95/28/823069528.db2.gz HEYAGPVWVMXPHO-VBKZILBWSA-N 0 0 375.428 4.226 20 30 GIEDRN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C ZINC000120827022 823072328 /nfs/dbraw/zinc/07/23/28/823072328.db2.gz LZADBIQUWYPMFZ-UTKZUKDTSA-N 0 0 397.544 4.074 20 30 GIEDRN N#Cc1cccc(OC2CCN(C(=O)NCCc3cc4ccccc4o3)CC2)c1 ZINC000120844743 823075420 /nfs/dbraw/zinc/07/54/20/823075420.db2.gz CIGKEFMVJDIWGB-UHFFFAOYSA-N 0 0 389.455 4.100 20 30 GIEDRN C=CCC[C@@H](C(=O)N1CCC(NC(=O)c2ccoc2C)CC1)c1ccccc1 ZINC000187501596 823076196 /nfs/dbraw/zinc/07/61/96/823076196.db2.gz ZUZLCWKYABMFQS-OAQYLSRUSA-N 0 0 380.488 4.059 20 30 GIEDRN C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCc2ccccc2C1 ZINC000570731503 823077527 /nfs/dbraw/zinc/07/75/27/823077527.db2.gz WMCWAZNWYKYRJL-UHFFFAOYSA-N 0 0 390.487 4.101 20 30 GIEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@@H](CCO)c3ccccc3)c2)cc1 ZINC000175941474 823077557 /nfs/dbraw/zinc/07/75/57/823077557.db2.gz ULPRYOZEBDXHRV-OAQYLSRUSA-N 0 0 386.451 4.247 20 30 GIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000056002135 823077741 /nfs/dbraw/zinc/07/77/41/823077741.db2.gz RCJSULVNILRUMH-HXUWFJFHSA-N 0 0 378.472 4.398 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000570732611 823077958 /nfs/dbraw/zinc/07/79/58/823077958.db2.gz PPJBBIREVNUCMQ-UHFFFAOYSA-N 0 0 389.455 4.176 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c(C(F)(F)F)c1 ZINC000056003498 823078086 /nfs/dbraw/zinc/07/80/86/823078086.db2.gz FGUIWOGAHPAQFH-QGZVFWFLSA-N 0 0 380.391 4.007 20 30 GIEDRN COc1cccc([C@H](C)CC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000175945068 823078863 /nfs/dbraw/zinc/07/88/63/823078863.db2.gz NHPAYJNVKNSTCS-WBMJQRKESA-N 0 0 388.826 4.329 20 30 GIEDRN COc1cc(OC)c(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1F ZINC000120871842 823080095 /nfs/dbraw/zinc/08/00/95/823080095.db2.gz XYYMGXXMXUXQND-UHFFFAOYSA-N 0 0 396.374 4.139 20 30 GIEDRN N#Cc1ccc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)s1 ZINC000187522406 823080915 /nfs/dbraw/zinc/08/09/15/823080915.db2.gz PJVBNPCXHIIFMI-INIZCTEOSA-N 0 0 381.270 4.095 20 30 GIEDRN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC000570761465 823082452 /nfs/dbraw/zinc/08/24/52/823082452.db2.gz LHTYQYXHEUCECN-OXJNMPFZSA-N 0 0 376.460 4.174 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1)c1ccccc1 ZINC000120888601 823082595 /nfs/dbraw/zinc/08/25/95/823082595.db2.gz OJPQNLSCHAOHNN-FQEVSTJZSA-N 0 0 395.478 4.188 20 30 GIEDRN C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000187530951 823082864 /nfs/dbraw/zinc/08/28/64/823082864.db2.gz SLSBGZYSSKASGF-UHFFFAOYSA-N 0 0 393.487 4.464 20 30 GIEDRN CC(C)=CCOc1cccc(CC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000570782864 823086854 /nfs/dbraw/zinc/08/68/54/823086854.db2.gz UEYUSXSTBKJAQR-FYYLOGMGSA-N 0 0 382.504 4.028 20 30 GIEDRN C[C@@H](c1ccccc1F)N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056105911 823084267 /nfs/dbraw/zinc/08/42/67/823084267.db2.gz GLGSFRFHLMEXQC-NSHDSACASA-N 0 0 386.370 4.098 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC000458794992 823086400 /nfs/dbraw/zinc/08/64/00/823086400.db2.gz BWBOUALKEMLLOK-FCHUYYIVSA-N 0 0 377.488 4.075 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000458799561 823087329 /nfs/dbraw/zinc/08/73/29/823087329.db2.gz JQGWVJVEAPNOLK-VXKWHMMOSA-N 0 0 388.471 4.076 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N(CCO)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000458800646 823087605 /nfs/dbraw/zinc/08/76/05/823087605.db2.gz LPCRGPUBAIOZSZ-FGZHOGPDSA-N 0 0 377.488 4.113 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000458803863 823088823 /nfs/dbraw/zinc/08/88/23/823088823.db2.gz RRONEBJREYGAGY-NHCUHLMSSA-N 0 0 381.476 4.405 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000458804697 823088990 /nfs/dbraw/zinc/08/89/90/823088990.db2.gz STSGUPJKKVEKGV-YADHBBJMSA-N 0 0 399.535 4.181 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1 ZINC000458804694 823088995 /nfs/dbraw/zinc/08/89/95/823088995.db2.gz STSGUPJKKVEKGV-VXKWHMMOSA-N 0 0 399.535 4.181 20 30 GIEDRN N#C[C@]1(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC12CCCC2 ZINC000570804623 823089555 /nfs/dbraw/zinc/08/95/55/823089555.db2.gz DOUXSCUMYXLCHQ-SFHVURJKSA-N 0 0 388.880 4.183 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCC[C@@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000458812228 823090478 /nfs/dbraw/zinc/09/04/78/823090478.db2.gz CNTAARSENYKDIN-UYAOXDASSA-N 0 0 396.466 4.209 20 30 GIEDRN Cc1cc(CCC(=O)N(CCC#N)Cc2ccccn2)ccc1Br ZINC000175992800 823090672 /nfs/dbraw/zinc/09/06/72/823090672.db2.gz JYYXWTDDHAHTNP-UHFFFAOYSA-N 0 0 386.293 4.028 20 30 GIEDRN CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000175996925 823091385 /nfs/dbraw/zinc/09/13/85/823091385.db2.gz OHYHUHHXPGIYQI-GOSISDBHSA-N 0 0 387.842 4.193 20 30 GIEDRN CC(C)[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000120962360 823093720 /nfs/dbraw/zinc/09/37/20/823093720.db2.gz OITSFUYJFUPTAJ-INIZCTEOSA-N 0 0 379.386 4.334 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC[C@]1(CO)Cc1ccccc1)c1ccccc1 ZINC000458852540 823097756 /nfs/dbraw/zinc/09/77/56/823097756.db2.gz VUHGIJBCSXAZRX-LADGPHEKSA-N 0 0 391.515 4.201 20 30 GIEDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458831808 823094037 /nfs/dbraw/zinc/09/40/37/823094037.db2.gz HIUWLNOKFTWFFP-OAQYLSRUSA-N 0 0 398.551 4.244 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(CC(F)(F)F)n1C(C)C ZINC000570841867 823094389 /nfs/dbraw/zinc/09/43/89/823094389.db2.gz KTNBJHINSRLHIR-UHFFFAOYSA-N 0 0 383.374 4.065 20 30 GIEDRN COCCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000176009177 823094881 /nfs/dbraw/zinc/09/48/81/823094881.db2.gz QDFWLQMTKMUJOS-UHFFFAOYSA-N 0 0 389.430 4.416 20 30 GIEDRN CC(C)(C)Oc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000176011901 823095503 /nfs/dbraw/zinc/09/55/03/823095503.db2.gz MBTBQHYRHTYYAZ-UHFFFAOYSA-N 0 0 377.488 4.088 20 30 GIEDRN C[C@H](O)[C@](C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000458841265 823095952 /nfs/dbraw/zinc/09/59/52/823095952.db2.gz OIYQZZRQLRILHQ-APTRMMRNSA-N 0 0 393.531 4.351 20 30 GIEDRN C[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000056174652 823096070 /nfs/dbraw/zinc/09/60/70/823096070.db2.gz KRQYSVFPKAORBO-KRWDZBQOSA-N 0 0 390.487 4.082 20 30 GIEDRN C[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000056174654 823096220 /nfs/dbraw/zinc/09/62/20/823096220.db2.gz KRQYSVFPKAORBO-QGZVFWFLSA-N 0 0 390.487 4.082 20 30 GIEDRN CC[C@@H](CO)N(Cc1ccccc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458842453 823096303 /nfs/dbraw/zinc/09/63/03/823096303.db2.gz PLBGQJDPAKNYQX-FCHUYYIVSA-N 0 0 379.504 4.404 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000458842500 823096345 /nfs/dbraw/zinc/09/63/45/823096345.db2.gz PMFRVBCFVPIAPY-JRGCBEDISA-N 0 0 399.441 4.217 20 30 GIEDRN CC[C@H](C#N)OC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000176018088 823096859 /nfs/dbraw/zinc/09/68/59/823096859.db2.gz CIFWFOPBMFHCAQ-MRXNPFEDSA-N 0 0 387.233 4.160 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC(Oc2ncccc2F)CC1)c1ccccc1 ZINC000458846677 823096973 /nfs/dbraw/zinc/09/69/73/823096973.db2.gz RFAKTKGQTCDKTR-FQEVSTJZSA-N 0 0 396.466 4.209 20 30 GIEDRN 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C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Br ZINC000124681468 823616942 /nfs/dbraw/zinc/61/69/42/823616942.db2.gz VYDCITZUSSYAPW-SFHVURJKSA-N 0 0 393.231 4.372 20 30 GIEDRN C=CCn1c(SCc2ccn(C)n2)nc2scc(-c3ccccc3)c2c1=O ZINC000571947607 823258522 /nfs/dbraw/zinc/25/85/22/823258522.db2.gz PPXDPUMVNVKUGN-UHFFFAOYSA-N 0 0 394.525 4.337 20 30 GIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4ccncc4)c(C)c3)cc2C1=O ZINC000571946990 823258657 /nfs/dbraw/zinc/25/86/57/823258657.db2.gz FWKXAZZOQVXDFT-UHFFFAOYSA-N 0 0 397.434 4.091 20 30 GIEDRN COc1ccc(Cl)cc1[C@@H](CC(C)C)NS(=O)(=O)CCC(C)(C)C#N ZINC000571960992 823261030 /nfs/dbraw/zinc/26/10/30/823261030.db2.gz QRYCGYFBHOYYGX-MRXNPFEDSA-N 0 0 386.945 4.295 20 30 GIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000121842025 823261108 /nfs/dbraw/zinc/26/11/08/823261108.db2.gz VKTSAQUEMAZGDB-AWEZNQCLSA-N 0 0 382.489 4.427 20 30 GIEDRN C[C@@H](OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccc(C#N)cc1 ZINC000176663885 823261178 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/nfs/dbraw/zinc/90/94/30/822909430.db2.gz DHGINVUUFUBSMH-HNNXBMFYSA-N 0 0 376.497 4.352 20 30 GIEDRN N#Cc1ccsc1C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000186533383 822909605 /nfs/dbraw/zinc/90/96/05/822909605.db2.gz CSDDHQMVELLMEJ-AWEZNQCLSA-N 0 0 379.254 4.499 20 30 GIEDRN Cc1cc(C2CCN(C(=O)NCCCCC#N)CC2)ccc1Br ZINC000186557106 822912817 /nfs/dbraw/zinc/91/28/17/822912817.db2.gz BTDCZZOQSIUDSS-UHFFFAOYSA-N 0 0 378.314 4.340 20 30 GIEDRN N#Cc1ccc(CS(=O)(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000569382463 822913713 /nfs/dbraw/zinc/91/37/13/822913713.db2.gz QNIFNSXZPVLLOT-UHFFFAOYSA-N 0 0 395.311 4.359 20 30 GIEDRN N#C[C@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)c1nc2ccccc2s1 ZINC000054802154 822913755 /nfs/dbraw/zinc/91/37/55/822913755.db2.gz SMJUSQHQTISFBC-OAHLLOKOSA-N 0 0 376.441 4.070 20 30 GIEDRN CCOc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000054801804 822913865 /nfs/dbraw/zinc/91/38/65/822913865.db2.gz OCNHMDMBYSNFBE-HNNXBMFYSA-N 0 0 393.468 4.164 20 30 GIEDRN CN(CC(C)(C)C#N)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000457755424 822915329 /nfs/dbraw/zinc/91/53/29/822915329.db2.gz PQVPQNDQPMEGSB-LJQANCHMSA-N 0 0 393.466 4.108 20 30 GIEDRN N#Cc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1C(F)(F)F ZINC000175256487 822916452 /nfs/dbraw/zinc/91/64/52/822916452.db2.gz CNLFSYKWEFNJRZ-UHFFFAOYSA-N 0 0 392.362 4.260 20 30 GIEDRN CC(C)Oc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(Cl)c1 ZINC000457769841 822917206 /nfs/dbraw/zinc/91/72/06/822917206.db2.gz RVWKILREANJHJM-ICSRJNTNSA-N 0 0 376.884 4.195 20 30 GIEDRN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)ncc1C#N ZINC000457793462 822919833 /nfs/dbraw/zinc/91/98/33/822919833.db2.gz WLRWENOIAGDYLX-KRWDZBQOSA-N 0 0 388.240 4.141 20 30 GIEDRN C[C@H](C1CC1)N(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 ZINC000175278271 822922811 /nfs/dbraw/zinc/92/28/11/822922811.db2.gz YHEPHQDLBWKCTE-GFCCVEGCSA-N 0 0 399.545 4.497 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC000569438463 822923138 /nfs/dbraw/zinc/92/31/38/822923138.db2.gz PIVVWEOYKFSFIW-NZQKXSOJSA-N 0 0 394.519 4.122 20 30 GIEDRN C=C(C)COc1cc(CN2CCSC[C@H]2c2nccs2)ccc1OC ZINC000186632632 822926449 /nfs/dbraw/zinc/92/64/49/822926449.db2.gz URLZRLHMFHMOSO-INIZCTEOSA-N 0 0 376.547 4.397 20 30 GIEDRN COc1cc(C#N)ccc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000186644509 822928497 /nfs/dbraw/zinc/92/84/97/822928497.db2.gz IPMRGHFTMJSWKP-UHFFFAOYSA-N 0 0 391.663 4.328 20 30 GIEDRN COc1ccc(OCc2nc(CN(C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000054989090 822929067 /nfs/dbraw/zinc/92/90/67/822929067.db2.gz KUJRQGXFPZGTLT-UHFFFAOYSA-N 0 0 379.485 4.234 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CCCc2cccnc2)c1C#N ZINC000457902269 822931405 /nfs/dbraw/zinc/93/14/05/822931405.db2.gz FBRNERXAHMLCNL-CQSZACIVSA-N 0 0 380.517 4.089 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CCCc2cccnc2)c1C#N ZINC000457902268 822931468 /nfs/dbraw/zinc/93/14/68/822931468.db2.gz FBRNERXAHMLCNL-AWEZNQCLSA-N 0 0 380.517 4.089 20 30 GIEDRN CN(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccccc1 ZINC000569508627 822931723 /nfs/dbraw/zinc/93/17/23/822931723.db2.gz RMXWSKHAUODQAJ-UHFFFAOYSA-N 0 0 399.454 4.006 20 30 GIEDRN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccc(OCC#N)cc1 ZINC000186670131 822933835 /nfs/dbraw/zinc/93/38/35/822933835.db2.gz YJZIFGTUFUTJKC-MRXNPFEDSA-N 0 0 375.472 4.451 20 30 GIEDRN COc1cc(C#N)cc(Cl)c1OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000055045248 822933898 /nfs/dbraw/zinc/93/38/98/822933898.db2.gz IROISBRRNNLQQZ-UHFFFAOYSA-N 0 0 396.830 4.322 20 30 GIEDRN COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1OC ZINC000055114119 822939212 /nfs/dbraw/zinc/93/92/12/822939212.db2.gz YLPKUAUBXBVCCM-UHFFFAOYSA-N 0 0 388.423 4.407 20 30 GIEDRN C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000457932147 822939251 /nfs/dbraw/zinc/93/92/51/822939251.db2.gz RVBAQHVXLNOZEU-ZDUSSCGKSA-N 0 0 393.468 4.166 20 30 GIEDRN N#CCCCOc1cccc(N[C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000055147667 822940542 /nfs/dbraw/zinc/94/05/42/822940542.db2.gz WYXRNUPMNTXHSX-OAQYLSRUSA-N 0 0 399.450 4.266 20 30 GIEDRN COc1ccc(F)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000055152479 822941554 /nfs/dbraw/zinc/94/15/54/822941554.db2.gz CIBRPDQUHZKGKW-VXGBXAGGSA-N 0 0 375.831 4.037 20 30 GIEDRN N#Cc1csc(CSc2nnc(-c3ccncc3)n2C2CCCCC2)n1 ZINC000569575996 822941569 /nfs/dbraw/zinc/94/15/69/822941569.db2.gz BMFSFLOEOBXKAE-UHFFFAOYSA-N 0 0 382.518 4.466 20 30 GIEDRN C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000055155049 822941954 /nfs/dbraw/zinc/94/19/54/822941954.db2.gz KYOIVZQHECSNMT-SFHVURJKSA-N 0 0 377.488 4.248 20 30 GIEDRN Cc1c(NC(=O)c2ccccc2)cccc1N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000055155251 822941976 /nfs/dbraw/zinc/94/19/76/822941976.db2.gz RVUMZQCXCVEMGK-HXOBKFHXSA-N 0 0 392.503 4.102 20 30 GIEDRN C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000569583500 822942089 /nfs/dbraw/zinc/94/20/89/822942089.db2.gz PFIJOEYWYWMMKL-PGRDOPGGSA-N 0 0 392.499 4.293 20 30 GIEDRN CC(=O)Nc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000055184628 822944090 /nfs/dbraw/zinc/94/40/90/822944090.db2.gz MMUYYQMDDDKODT-UHFFFAOYSA-N 0 0 399.450 4.026 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055218888 822946431 /nfs/dbraw/zinc/94/64/31/822946431.db2.gz SROPLMKXLJXEFR-UHFFFAOYSA-N 0 0 381.435 4.281 20 30 GIEDRN C[C@H](NC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(C#N)cc1 ZINC000055218107 822946449 /nfs/dbraw/zinc/94/64/49/822946449.db2.gz HKEMGXHPVZBCIY-KRWDZBQOSA-N 0 0 381.435 4.500 20 30 GIEDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC(C)(C)CC#N)cc1 ZINC000457983382 822947545 /nfs/dbraw/zinc/94/75/45/822947545.db2.gz ACHMULILFOLFHJ-UHFFFAOYSA-N 0 0 383.404 4.065 20 30 GIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(C)c(C)n2)cc1C ZINC000457995438 822948703 /nfs/dbraw/zinc/94/87/03/822948703.db2.gz XKOTWOIEWXKPSN-UHFFFAOYSA-N 0 0 387.487 4.022 20 30 GIEDRN N#C[C@H](COC(=O)CCCc1nc(-c2cccs2)no1)Cc1ccccc1 ZINC000175382172 822953029 /nfs/dbraw/zinc/95/30/29/822953029.db2.gz GQPPJUCIJORJAQ-MRXNPFEDSA-N 0 0 381.457 4.046 20 30 GIEDRN CCOC(=O)c1ccc(C#N)c(SCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000055336917 822953222 /nfs/dbraw/zinc/95/32/22/822953222.db2.gz WZBIKKWHSLONMQ-UHFFFAOYSA-N 0 0 383.404 4.216 20 30 GIEDRN Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000569680737 822954769 /nfs/dbraw/zinc/95/47/69/822954769.db2.gz RXCXTPNOYVKBBH-ZDUSSCGKSA-N 0 0 393.306 4.011 20 30 GIEDRN C=CCC1(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)CCOCC1 ZINC000569716113 822958248 /nfs/dbraw/zinc/95/82/48/822958248.db2.gz DQLKANNJDAPYFT-UHFFFAOYSA-N 0 0 388.471 4.450 20 30 GIEDRN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000569716110 822958321 /nfs/dbraw/zinc/95/83/21/822958321.db2.gz DOQQIKGEHYTYQQ-DYVFJYSZSA-N 0 0 388.389 4.382 20 30 GIEDRN CCCc1c(NC(=O)Cc2c(F)cccc2C#N)cnn1-c1ccccc1C ZINC000569718012 822958610 /nfs/dbraw/zinc/95/86/10/822958610.db2.gz RSGKWFVETKGPSF-UHFFFAOYSA-N 0 0 376.435 4.325 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000055429786 822962299 /nfs/dbraw/zinc/96/22/99/822962299.db2.gz HWSJHEZUZAIYIL-UHFFFAOYSA-N 0 0 383.407 4.488 20 30 GIEDRN CC(C)[C@@H]1N(C(=O)CCCC(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000458164854 822964146 /nfs/dbraw/zinc/96/41/46/822964146.db2.gz BQRDQNFZRLTQLP-QFIPXVFZSA-N 0 0 381.520 4.484 20 30 GIEDRN Cc1cc2c(cc1Br)N(C(=O)c1cccc(CC#N)c1)C[C@H](C)O2 ZINC000175420663 822964530 /nfs/dbraw/zinc/96/45/30/822964530.db2.gz TUKZDGFQXBYFNY-ZDUSSCGKSA-N 0 0 385.261 4.251 20 30 GIEDRN N#CCc1ccc(NC(=O)[C@H](OC2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000569789159 822969504 /nfs/dbraw/zinc/96/95/04/822969504.db2.gz WLQDFDJDSNVASL-HXUWFJFHSA-N 0 0 384.863 4.281 20 30 GIEDRN N#Cc1cccc(-c2nnc(CN3CCCc4c(OC(F)F)cccc43)o2)c1 ZINC000569829908 822973677 /nfs/dbraw/zinc/97/36/77/822973677.db2.gz OXZKFRUKMQKQRK-UHFFFAOYSA-N 0 0 382.370 4.162 20 30 GIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000569835653 822974206 /nfs/dbraw/zinc/97/42/06/822974206.db2.gz OAXGNWCUUUBIFN-PXNSSMCTSA-N 0 0 378.472 4.336 20 30 GIEDRN N#CC[C@@H]1CC[C@H](NC(=O)NC2(c3cccc(Br)c3)CCC2)C1 ZINC000458261460 822975089 /nfs/dbraw/zinc/97/50/89/822975089.db2.gz JJPVCQOWAXAWKJ-BBRMVZONSA-N 0 0 376.298 4.210 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c(C(F)(F)F)c1 ZINC000055555605 822978279 /nfs/dbraw/zinc/97/82/79/822978279.db2.gz LVMIXSBEUXGUMW-UHFFFAOYSA-N 0 0 378.734 4.170 20 30 GIEDRN COc1ccc2nc(C)c(C(=O)Nc3cccc(OCCCC#N)c3)cc2c1 ZINC000055569829 822980787 /nfs/dbraw/zinc/98/07/87/822980787.db2.gz CPMDSXVYNJJOFJ-UHFFFAOYSA-N 0 0 375.428 4.487 20 30 GIEDRN Cc1ncsc1/C=C/C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000186925546 822981230 /nfs/dbraw/zinc/98/12/30/822981230.db2.gz GNZFOENDSWWSTD-SGWGQVFISA-N 0 0 389.480 4.425 20 30 GIEDRN C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N(C)CC(C)(C)C#N ZINC000458310837 822981730 /nfs/dbraw/zinc/98/17/30/822981730.db2.gz KXQHNRRYPXPYKC-NHYWBVRUSA-N 0 0 396.354 4.423 20 30 GIEDRN CCc1nc2c(s1)[C@@H](N(C)[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCC2 ZINC000569897971 822982844 /nfs/dbraw/zinc/98/28/44/822982844.db2.gz SJFMCFURIQNFMG-OALUTQOASA-N 0 0 394.544 4.082 20 30 GIEDRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000569918149 822985657 /nfs/dbraw/zinc/98/56/57/822985657.db2.gz GFNKOADYVVVIAB-SFHVURJKSA-N 0 0 376.453 4.046 20 30 GIEDRN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)C2)n1 ZINC000458358258 822986488 /nfs/dbraw/zinc/98/64/88/822986488.db2.gz SRHHWVQUYDOFHJ-QAPCUYQASA-N 0 0 382.895 4.009 20 30 GIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(CCC#N)CC1 ZINC000569926926 822986646 /nfs/dbraw/zinc/98/66/46/822986646.db2.gz ILNFANBJLBGPLS-UHFFFAOYSA-N 0 0 379.508 4.091 20 30 GIEDRN C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000569926692 822986675 /nfs/dbraw/zinc/98/66/75/822986675.db2.gz BWTLNIKFBLFWMN-QGZVFWFLSA-N 0 0 397.523 4.028 20 30 GIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(c2ccsc2)CC1 ZINC000186956310 822986714 /nfs/dbraw/zinc/98/67/14/822986714.db2.gz ILHHRYZRHAOCPS-KRWDZBQOSA-N 0 0 397.544 4.271 20 30 GIEDRN CCOc1ccc(CCNC(=O)c2cccc(SCC#N)c2)cc1OCC ZINC000175512432 822987832 /nfs/dbraw/zinc/98/78/32/822987832.db2.gz FVBCJKHQXMFHKQ-UHFFFAOYSA-N 0 0 384.501 4.072 20 30 GIEDRN N#CCSc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000175517470 822989097 /nfs/dbraw/zinc/98/90/97/822989097.db2.gz DRPBMRHPIWLZLM-UHFFFAOYSA-N 0 0 387.892 4.045 20 30 GIEDRN C=CCN(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)c1nc(-c2ccccc2)cs1 ZINC000175518482 822989440 /nfs/dbraw/zinc/98/94/40/822989440.db2.gz ZIUGLXUOZBTXGT-DLBZAZTESA-N 0 0 384.501 4.309 20 30 GIEDRN N#CCOc1ccc(CNC(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 ZINC000186976668 822990720 /nfs/dbraw/zinc/99/07/20/822990720.db2.gz JIFFZSYIIOYCKN-UHFFFAOYSA-N 0 0 398.369 4.060 20 30 GIEDRN CN(Cc1ccc(Br)s1)C(=O)c1cccc(SCC#N)c1 ZINC000175536346 822993023 /nfs/dbraw/zinc/99/30/23/822993023.db2.gz QMLSCLUIFIUJQH-UHFFFAOYSA-N 0 0 381.320 4.398 20 30 GIEDRN Cc1nc([C@H]2CCCN2C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000186990953 822993552 /nfs/dbraw/zinc/99/35/52/822993552.db2.gz XKHUVKKUSAECIY-QGZVFWFLSA-N 0 0 393.434 4.369 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2nc3c(s2)COCC3)cc1 ZINC000175545306 822994784 /nfs/dbraw/zinc/99/47/84/822994784.db2.gz DKQPDBLWQSSCNP-UHFFFAOYSA-N 0 0 393.493 4.491 20 30 GIEDRN Cc1cc(CCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)s1 ZINC000175551427 822995637 /nfs/dbraw/zinc/99/56/37/822995637.db2.gz XEILOFPSXNVDBC-UHFFFAOYSA-N 0 0 397.544 4.159 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000187010456 822996935 /nfs/dbraw/zinc/99/69/35/822996935.db2.gz ZYISWFNVJAOKRO-VWLOTQADSA-N 0 0 380.447 4.497 20 30 GIEDRN C=CC[C@@H]1N(c2nnc([C@@H]3CC[C@H](C)O3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000570018886 822997682 /nfs/dbraw/zinc/99/76/82/822997682.db2.gz RHHGATJSQYRQPJ-VJANTYMQSA-N 0 0 388.556 4.126 20 30 GIEDRN Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c2cnn(C)c2n1 ZINC000175573523 823000254 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C=CCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1 ZINC000055724073 823003415 /nfs/dbraw/zinc/00/34/15/823003415.db2.gz PQDTZZXDEZQAPV-IBGZPJMESA-N 0 0 378.472 4.051 20 30 GIEDRN C=CCOc1cccc(NC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000175594176 823003790 /nfs/dbraw/zinc/00/37/90/823003790.db2.gz AHQMCZSKYSQLLJ-UHFFFAOYSA-N 0 0 394.519 4.108 20 30 GIEDRN C#CCOc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)cc1 ZINC000175599435 823004586 /nfs/dbraw/zinc/00/45/86/823004586.db2.gz BWBODXJENQHBBC-UHFFFAOYSA-N 0 0 387.511 4.156 20 30 GIEDRN C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(CCOC)C1CC1 ZINC000570087639 823004686 /nfs/dbraw/zinc/00/46/86/823004686.db2.gz SYLRKVASRLMZSD-QGZVFWFLSA-N 0 0 392.503 4.373 20 30 GIEDRN Cc1nc2ccccc2n1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000187061448 823005410 /nfs/dbraw/zinc/00/54/10/823005410.db2.gz QGFHQBUQHGLUTI-UHFFFAOYSA-N 0 0 376.504 4.056 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1ccc(F)c(F)c1 ZINC000187063181 823005562 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/nfs/dbraw/zinc/42/46/01/822424601.db2.gz JVMDMIGJIVMOEH-MRXNPFEDSA-N 0 0 397.500 4.203 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000045934758 822424782 /nfs/dbraw/zinc/42/47/82/822424782.db2.gz KSSQCJCHMWZJKR-INIZCTEOSA-N 0 0 386.492 4.101 20 30 GIEDRN COc1ccc(Nc2nc(C(=O)Nc3ccccc3O[C@@H](C)C#N)cs2)cc1 ZINC000183107674 822425464 /nfs/dbraw/zinc/42/54/64/822425464.db2.gz CLLNYXBEMZXTGR-ZDUSSCGKSA-N 0 0 394.456 4.438 20 30 GIEDRN C=C[C@@H](CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000178979190 822425845 /nfs/dbraw/zinc/42/58/45/822425845.db2.gz NZEVLWGXPRPQOX-KRWDZBQOSA-N 0 0 395.478 4.298 20 30 GIEDRN N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000454058524 822425864 /nfs/dbraw/zinc/42/58/64/822425864.db2.gz ZYQZHDWLHBRZOQ-BBRMVZONSA-N 0 0 387.892 4.054 20 30 GIEDRN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183117815 822426763 /nfs/dbraw/zinc/42/67/63/822426763.db2.gz SAQNSKMCFCZHLA-UHFFFAOYSA-N 0 0 388.345 4.299 20 30 GIEDRN COc1cccc(C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000178989019 822426932 /nfs/dbraw/zinc/42/69/32/822426932.db2.gz WGVITXQSSXJRNR-UHFFFAOYSA-N 0 0 377.488 4.219 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)C1=CCCC1 ZINC000454084096 822427413 /nfs/dbraw/zinc/42/74/13/822427413.db2.gz IEGJFNSJYJUASU-OAHLLOKOSA-N 0 0 385.533 4.130 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)C1=CCCC1 ZINC000454084095 822427429 /nfs/dbraw/zinc/42/74/29/822427429.db2.gz IEGJFNSJYJUASU-HNNXBMFYSA-N 0 0 385.533 4.130 20 30 GIEDRN N#Cc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000178995822 822427531 /nfs/dbraw/zinc/42/75/31/822427531.db2.gz ANVKUKXHZSNXHW-UHFFFAOYSA-N 0 0 384.804 4.496 20 30 GIEDRN N#Cc1cccc(CNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000179016004 822430360 /nfs/dbraw/zinc/43/03/60/822430360.db2.gz UDSIUAFUILFVAG-UHFFFAOYSA-N 0 0 396.903 4.377 20 30 GIEDRN C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2Br)c(OC)c1 ZINC000045990285 822431598 /nfs/dbraw/zinc/43/15/98/822431598.db2.gz 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822440607 /nfs/dbraw/zinc/44/06/07/822440607.db2.gz NITLCPJGHWMQFM-UHFFFAOYSA-N 0 0 380.542 4.456 20 30 GIEDRN N#Cc1ccccc1N1CCCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000046086381 822440674 /nfs/dbraw/zinc/44/06/74/822440674.db2.gz NMKCDSXDWWTKAH-UHFFFAOYSA-N 0 0 381.430 4.015 20 30 GIEDRN N#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000046122700 822442490 /nfs/dbraw/zinc/44/24/90/822442490.db2.gz TWFVHWHZZNGSGU-KRWDZBQOSA-N 0 0 388.254 4.108 20 30 GIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Oc1cccc(NC(=O)c2ccccc2)c1 ZINC000046131988 822443354 /nfs/dbraw/zinc/44/33/54/822443354.db2.gz VXIMUYSXCWPBFS-INIZCTEOSA-N 0 0 386.407 4.183 20 30 GIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046151072 822444634 /nfs/dbraw/zinc/44/46/34/822444634.db2.gz XIDAGFIXGHPEEK-FQEVSTJZSA-N 0 0 397.494 4.229 20 30 GIEDRN CCCOc1ccc([C@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)cc1OC ZINC000454267869 822446620 /nfs/dbraw/zinc/44/66/20/822446620.db2.gz KAEFVHZGWODLQP-AWEZNQCLSA-N 0 0 385.439 4.055 20 30 GIEDRN COc1cc([C@H](C)NC(=O)NCc2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000454267735 822446634 /nfs/dbraw/zinc/44/66/34/822446634.db2.gz OYCJLZDDEJQPLA-AWEZNQCLSA-N 0 0 385.439 4.054 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000183244863 822447735 /nfs/dbraw/zinc/44/77/35/822447735.db2.gz ZICJHVGXDFKAFW-SFHVURJKSA-N 0 0 389.377 4.491 20 30 GIEDRN CC(C)Oc1ccc(NC(=O)NCc2nc(-c3ccccc3)c[nH]2)cc1C#N ZINC000183250280 822448517 /nfs/dbraw/zinc/44/85/17/822448517.db2.gz KSXJRFMKRLIKGU-UHFFFAOYSA-N 0 0 375.432 4.057 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1cccc(Cl)c1Cl ZINC000046205632 822449672 /nfs/dbraw/zinc/44/96/72/822449672.db2.gz XUPPZFBCSBMTDQ-UHFFFAOYSA-N 0 0 393.318 4.012 20 30 GIEDRN CNC(=O)c1cccc(CSCc2ccc(C#N)cc2Br)c1 ZINC000183272024 822451724 /nfs/dbraw/zinc/45/17/24/822451724.db2.gz MHKBFXLLAHJXRV-UHFFFAOYSA-N 0 0 375.291 4.114 20 30 GIEDRN CNC(=O)c1ccc(CSCc2ccc(C#N)cc2Br)cc1 ZINC000183271304 822451756 /nfs/dbraw/zinc/45/17/56/822451756.db2.gz WCGMPCXQXJKPMV-UHFFFAOYSA-N 0 0 375.291 4.114 20 30 GIEDRN CCc1cc(=O)c2cc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)ccc2[nH]1 ZINC000183296164 822454928 /nfs/dbraw/zinc/45/49/28/822454928.db2.gz HRIYMHZSAKXFDO-QFIPXVFZSA-N 0 0 389.455 4.004 20 30 GIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000179252954 822457538 /nfs/dbraw/zinc/45/75/38/822457538.db2.gz XQWHZIGHXCWJDW-UHFFFAOYSA-N 0 0 397.740 4.325 20 30 GIEDRN Cc1nn(-c2ccc(Br)cc2)cc1CNCc1ccc(C#N)cc1F ZINC000179303702 822463260 /nfs/dbraw/zinc/46/32/60/822463260.db2.gz BGPRUNXUQGNKNX-UHFFFAOYSA-N 0 0 399.267 4.244 20 30 GIEDRN N#C[C@H](OC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CC1 ZINC000183362610 822463800 /nfs/dbraw/zinc/46/38/00/822463800.db2.gz MXXDACLSMGGKAS-FQEVSTJZSA-N 0 0 375.403 4.066 20 30 GIEDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000183368095 822464580 /nfs/dbraw/zinc/46/45/80/822464580.db2.gz LSBNULYHKAJTQJ-HKUYNNGSSA-N 0 0 380.513 4.333 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1OC ZINC000179322260 822465891 /nfs/dbraw/zinc/46/58/91/822465891.db2.gz KENSGPJQDQXPBF-UHFFFAOYSA-N 0 0 389.411 4.420 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179335207 822467615 /nfs/dbraw/zinc/46/76/15/822467615.db2.gz RTLDBJYBCUVGTK-SFHVURJKSA-N 0 0 397.482 4.241 20 30 GIEDRN CN(Cc1ccccc1N1CCCC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454399785 822469266 /nfs/dbraw/zinc/46/92/66/822469266.db2.gz XYIQJBVEGPCGGX-UHFFFAOYSA-N 0 0 375.516 4.386 20 30 GIEDRN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C[C@H](C)O1 ZINC000046435223 822472872 /nfs/dbraw/zinc/47/28/72/822472872.db2.gz XQYPNGZWYWWHES-GJZGRUSLSA-N 0 0 383.879 4.073 20 30 GIEDRN CC(C)c1csc(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000179380761 822474032 /nfs/dbraw/zinc/47/40/32/822474032.db2.gz ZNORUDOVEROWGB-UHFFFAOYSA-N 0 0 385.493 4.045 20 30 GIEDRN CC(C)(CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1cccc(Br)c1 ZINC000454438484 822475908 /nfs/dbraw/zinc/47/59/08/822475908.db2.gz RFJDORIJGXBJJY-BBRMVZONSA-N 0 0 378.314 4.108 20 30 GIEDRN N#CCCCCNC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000454467562 822480298 /nfs/dbraw/zinc/48/02/98/822480298.db2.gz YZMDGIQXCXADRT-UHFFFAOYSA-N 0 0 384.705 4.127 20 30 GIEDRN CC[C@H](C#N)OC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000183478202 822481919 /nfs/dbraw/zinc/48/19/19/822481919.db2.gz RZKKCFBNAFRZMH-OAHLLOKOSA-N 0 0 376.412 4.378 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000046532050 822482544 /nfs/dbraw/zinc/48/25/44/822482544.db2.gz DYAXXWHCSCJSOI-GOSISDBHSA-N 0 0 379.504 4.113 20 30 GIEDRN Cc1cc(C)cc([C@H]2CCN(CC(=O)Nc3ccccc3SCC#N)C2)c1 ZINC000183481387 822482846 /nfs/dbraw/zinc/48/28/46/822482846.db2.gz IUXAJIARIOCXOZ-SFHVURJKSA-N 0 0 379.529 4.347 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000046533336 822482931 /nfs/dbraw/zinc/48/29/31/822482931.db2.gz QBTGCPGEQGWXSM-MRXNPFEDSA-N 0 0 385.533 4.174 20 30 GIEDRN CCCOCc1ccccc1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000046536052 822483477 /nfs/dbraw/zinc/48/34/77/822483477.db2.gz NTXJRDFMWSQCSQ-UHFFFAOYSA-N 0 0 397.544 4.214 20 30 GIEDRN CO[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000454503501 822486279 /nfs/dbraw/zinc/48/62/79/822486279.db2.gz IMYFEUJAQWQQAF-HTAPYJJXSA-N 0 0 393.487 4.220 20 30 GIEDRN N#CCC[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000179497656 822491418 /nfs/dbraw/zinc/49/14/18/822491418.db2.gz WRXVRDSCLKXZKA-SJORKVTESA-N 0 0 385.261 4.086 20 30 GIEDRN C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000454526065 822491619 /nfs/dbraw/zinc/49/16/19/822491619.db2.gz KWYKKNVJBRTNKJ-HXOBKFHXSA-N 0 0 393.487 4.004 20 30 GIEDRN CC(C)(C)OC(=O)N1CCC(C(=O)O[C@H]2CC[C@H](C#N)C2)(c2ccccc2)CC1 ZINC000183546036 822493088 /nfs/dbraw/zinc/49/30/88/822493088.db2.gz PJBSGLDFLHUZBO-HKUYNNGSSA-N 0 0 398.503 4.191 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000454540875 822493894 /nfs/dbraw/zinc/49/38/94/822493894.db2.gz PEYSAAWFHSFOPA-LLGFUMIMSA-N 0 0 377.488 4.401 20 30 GIEDRN C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000454544358 822494538 /nfs/dbraw/zinc/49/45/38/822494538.db2.gz DDEHWBXCTBXJMV-INIZCTEOSA-N 0 0 389.499 4.353 20 30 GIEDRN CCN(C(=O)c1cccc(OCc2noc(C)n2)c1)c1ccc(C#N)c(Cl)c1 ZINC000179520807 822496211 /nfs/dbraw/zinc/49/62/11/822496211.db2.gz COARELORWBIMQC-UHFFFAOYSA-N 0 0 396.834 4.149 20 30 GIEDRN CCN(C(=O)c1cnn(Cc2ccc(OC)cc2)c1)c1ccc(C#N)c(Cl)c1 ZINC000179522877 822496594 /nfs/dbraw/zinc/49/65/94/822496594.db2.gz RXENYLOOFIFXOY-UHFFFAOYSA-N 0 0 394.862 4.132 20 30 GIEDRN C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000046651384 822498840 /nfs/dbraw/zinc/49/88/40/822498840.db2.gz YEQCDKFAOHGSQQ-QGZVFWFLSA-N 0 0 395.478 4.452 20 30 GIEDRN C=CCOc1cccc(NC(=O)NC2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000454573245 822499040 /nfs/dbraw/zinc/49/90/40/822499040.db2.gz GZISBEZFDQLOFE-UHFFFAOYSA-N 0 0 384.451 4.304 20 30 GIEDRN 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SKJQPEAJGXULTJ-OAHLLOKOSA-N 0 0 383.423 4.428 20 30 GIEDRN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)COc2ccc(C#N)cc2)cc1 ZINC000047192585 822553111 /nfs/dbraw/zinc/55/31/11/822553111.db2.gz VFWLTGMERKGYKJ-UHFFFAOYSA-N 0 0 399.425 4.177 20 30 GIEDRN COc1cc(C)c(Br)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000183953452 822553220 /nfs/dbraw/zinc/55/32/20/822553220.db2.gz NBZQUEIOWLAVJC-UHFFFAOYSA-N 0 0 381.176 4.168 20 30 GIEDRN CCC(CC)(C(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000183954308 822553453 /nfs/dbraw/zinc/55/34/53/822553453.db2.gz ISRYZFNGCNDYMA-UHFFFAOYSA-N 0 0 380.488 4.292 20 30 GIEDRN CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)C=Cc2ccc(Cl)nc2)cc1 ZINC000179794426 822554152 /nfs/dbraw/zinc/55/41/52/822554152.db2.gz KPIDDTFHQNVCLV-JGZYNSJSSA-N 0 0 381.863 4.438 20 30 GIEDRN Cc1c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cnn1-c1cccc(Cl)c1 ZINC000183974090 822556316 /nfs/dbraw/zinc/55/63/16/822556316.db2.gz ORSQZYMPVWHJAR-QFIPXVFZSA-N 0 0 390.874 4.015 20 30 GIEDRN N#C[C@]1(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)CCc2ccccc2C1 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389.430 4.262 20 30 GIEDRN CCCOc1c(OC)cc(CCNC(=O)Nc2cccc(C#N)c2C)cc1OC ZINC000455008658 822569804 /nfs/dbraw/zinc/56/98/04/822569804.db2.gz WGYPONXRHFGPPR-UHFFFAOYSA-N 0 0 397.475 4.037 20 30 GIEDRN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1c(F)cccc1Br ZINC000179887369 822571800 /nfs/dbraw/zinc/57/18/00/822571800.db2.gz DWECKVYDXYPLGC-CHHVJCJISA-N 0 0 386.286 4.120 20 30 GIEDRN Cc1c(C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cnn1C(C)C ZINC000179892363 822572595 /nfs/dbraw/zinc/57/25/95/822572595.db2.gz OBQMZAJIPSGNJE-UHFFFAOYSA-N 0 0 375.432 4.392 20 30 GIEDRN CC[C@@H](C)Oc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179901628 822573786 /nfs/dbraw/zinc/57/37/86/822573786.db2.gz BMJRIDIPFBNBPT-TZMCWYRMSA-N 0 0 384.386 4.494 20 30 GIEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Cc2c(C)cc(C)cc2C)ccc1OC ZINC000179927210 822578532 /nfs/dbraw/zinc/57/85/32/822578532.db2.gz BQJHXHPCZXURBD-LJQANCHMSA-N 0 0 380.488 4.160 20 30 GIEDRN CCO[C@H]1C[C@@H](Nc2c(C#N)cnc3c(F)ccc(Cl)c32)C12CCOCC2 ZINC000184104026 822578761 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ZINC000569978812 822992429 /nfs/dbraw/zinc/99/24/29/822992429.db2.gz KRBPBWJVNIXPJU-UHFFFAOYSA-N 0 0 392.499 4.434 20 30 GIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(SCC#N)c1 ZINC000175543050 822994137 /nfs/dbraw/zinc/99/41/37/822994137.db2.gz ABLLHLLJPGMVAH-UHFFFAOYSA-N 0 0 376.485 4.035 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000570006103 822995739 /nfs/dbraw/zinc/99/57/39/822995739.db2.gz XPDBUIZXZGDHLI-UHFFFAOYSA-N 0 0 391.393 4.344 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000187009395 822996681 /nfs/dbraw/zinc/99/66/81/822996681.db2.gz HULHZMNAJMOYKF-UHFFFAOYSA-N 0 0 376.456 4.193 20 30 GIEDRN COc1ccc(CN(C(=O)c2cccc(CC#N)c2)c2nccs2)c(OC)c1 ZINC000175557956 822996923 /nfs/dbraw/zinc/99/69/23/822996923.db2.gz UKGWLDXSDCZSEA-UHFFFAOYSA-N 0 0 393.468 4.073 20 30 GIEDRN C=CC[C@@H]1N(c2nnc([C@@H]3CC[C@H](C)O3)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000570018885 822997695 /nfs/dbraw/zinc/99/76/95/822997695.db2.gz RHHGATJSQYRQPJ-RDGPPVDQSA-N 0 0 388.556 4.126 20 30 GIEDRN C[C@H]1CC[C@H](CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)O1 ZINC000175561650 822998027 /nfs/dbraw/zinc/99/80/27/822998027.db2.gz YHZABNKRDFWGEL-MGPUTAFESA-N 0 0 377.444 4.097 20 30 GIEDRN N#CCSc1cccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000175562663 822998295 /nfs/dbraw/zinc/99/82/95/822998295.db2.gz QBNKTXFMYVNXLB-UHFFFAOYSA-N 0 0 394.418 4.311 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1coc(-c2ccccc2)n1 ZINC000175564376 822998552 /nfs/dbraw/zinc/99/85/52/822998552.db2.gz LAJSOXKLBGOXEM-UHFFFAOYSA-N 0 0 376.416 4.322 20 30 GIEDRN C[C@@H](O)CC(C)(C)CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000175564921 822998792 /nfs/dbraw/zinc/99/87/92/822998792.db2.gz AQISPQLALLVHBF-QGZVFWFLSA-N 0 0 397.494 4.206 20 30 GIEDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000055687947 822999281 /nfs/dbraw/zinc/99/92/81/822999281.db2.gz XNIARUDEQUOINO-UHFFFAOYSA-N 0 0 395.528 4.349 20 30 GIEDRN CCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1Cl ZINC000055688348 822999526 /nfs/dbraw/zinc/99/95/26/822999526.db2.gz KAUILWZDWHSEQZ-UHFFFAOYSA-N 0 0 399.878 4.148 20 30 GIEDRN Cc1nc(-c2cccc(NC(=O)NCCOc3ccc(C#N)cc3)c2)oc1C ZINC000175570251 822999793 /nfs/dbraw/zinc/99/97/93/822999793.db2.gz NEDYEAMQKXQBFV-UHFFFAOYSA-N 0 0 376.416 4.031 20 30 GIEDRN C[C@H]1c2c(C#N)c(NC(=O)Cc3ccc(-n4cnnc4)cc3)sc2CC[C@@H]1C ZINC000570040629 823000096 /nfs/dbraw/zinc/00/00/96/823000096.db2.gz CEWHZVDPVKYSJM-UONOGXRCSA-N 0 0 391.500 4.067 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1 ZINC000175577776 823001144 /nfs/dbraw/zinc/00/11/44/823001144.db2.gz FGKYHZCRIGIZLY-SFHVURJKSA-N 0 0 389.499 4.480 20 30 GIEDRN C=CCOc1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 ZINC000055723090 823003228 /nfs/dbraw/zinc/00/32/28/823003228.db2.gz GEIQGICADKVFTL-UHFFFAOYSA-N 0 0 393.468 4.141 20 30 GIEDRN N#CCc1ccc(NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000175592669 823003650 /nfs/dbraw/zinc/00/36/50/823003650.db2.gz DYXZKUNJJIKNTH-SFHVURJKSA-N 0 0 389.377 4.377 20 30 GIEDRN CCN(Cc1csc(N(C(C)=O)c2ccc(Cl)cc2)n1)C[C@H](C)C#N ZINC000175594898 823003862 /nfs/dbraw/zinc/00/38/62/823003862.db2.gz YWTXDDBZRIIWJE-CYBMUJFWSA-N 0 0 376.913 4.463 20 30 GIEDRN CCc1ccc([C@H](C#N)NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1 ZINC000570081570 823004140 /nfs/dbraw/zinc/00/41/40/823004140.db2.gz PQYGNFGSXQDWEF-QFIPXVFZSA-N 0 0 389.499 4.050 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)c1nnc(CC(F)(F)F)n1Cc1cccs1 ZINC000570092133 823005093 /nfs/dbraw/zinc/00/50/93/823005093.db2.gz UBLLVDGBSYKNMV-UHFFFAOYSA-N 0 0 391.422 4.001 20 30 GIEDRN N#CCCN(C(=O)C(=O)c1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 ZINC000187064185 823005725 /nfs/dbraw/zinc/00/57/25/823005725.db2.gz HDDROLRUJOQDSC-UHFFFAOYSA-N 0 0 376.500 4.069 20 30 GIEDRN C=CCCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000570106734 823006227 /nfs/dbraw/zinc/00/62/27/823006227.db2.gz PBGJUPDGPDQXNA-HNNXBMFYSA-N 0 0 385.533 4.158 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000570115046 823007053 /nfs/dbraw/zinc/00/70/53/823007053.db2.gz KCBXOLKJLSYFGN-FGZHOGPDSA-N 0 0 376.500 4.468 20 30 GIEDRN CC#CCCCc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000570126415 823007984 /nfs/dbraw/zinc/00/79/84/823007984.db2.gz DIJRBADOIBLJDU-LBPRGKRZSA-N 0 0 380.275 4.142 20 30 GIEDRN C=CCC[C@@H](C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1ccccc1 ZINC000187100013 823010420 /nfs/dbraw/zinc/01/04/20/823010420.db2.gz ROWGUPAYTQVMRY-HXUWFJFHSA-N 0 0 382.529 4.219 20 30 GIEDRN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000570180355 823012863 /nfs/dbraw/zinc/01/28/63/823012863.db2.gz DGYWMLYIVLOZBS-UHFFFAOYSA-N 0 0 390.468 4.053 20 30 GIEDRN N#Cc1ccc(C2(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000187116146 823012949 /nfs/dbraw/zinc/01/29/49/823012949.db2.gz JJDJIVIWNOETAN-OAQYLSRUSA-N 0 0 394.902 4.215 20 30 GIEDRN Cc1ccc(C(=O)N2CCC(Nc3ccc(Br)cc3C#N)CC2)cc1 ZINC000570192237 823013829 /nfs/dbraw/zinc/01/38/29/823013829.db2.gz DAYDBNKHYUNPNF-UHFFFAOYSA-N 0 0 398.304 4.346 20 30 GIEDRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000570191583 823013869 /nfs/dbraw/zinc/01/38/69/823013869.db2.gz OVMMMUGPRNKLPX-FQEVSTJZSA-N 0 0 385.489 4.494 20 30 GIEDRN N#CCCN(Cc1ccc(OCc2ccccc2F)nc1)Cc1ccccn1 ZINC000187127013 823014624 /nfs/dbraw/zinc/01/46/24/823014624.db2.gz BJRVRIRZBHKJLC-UHFFFAOYSA-N 0 0 376.435 4.111 20 30 GIEDRN C=CC[C@H](C(=O)Nc1cccc(NS(=O)(=O)CCC)c1C)c1ccccc1 ZINC000187137009 823015970 /nfs/dbraw/zinc/01/59/70/823015970.db2.gz PXYMCHUIRGRXGC-SFHVURJKSA-N 0 0 386.517 4.445 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000570222031 823016445 /nfs/dbraw/zinc/01/64/45/823016445.db2.gz MKYRIKXBJDGVMA-KNQAVFIVSA-N 0 0 387.531 4.470 20 30 GIEDRN N#Cc1cccc(-c2csc(NC(=O)c3ccc(O[C@H]4CCOC4)cc3)n2)c1 ZINC000570243428 823018309 /nfs/dbraw/zinc/01/83/09/823018309.db2.gz WMGXMMDWWURJRU-SFHVURJKSA-N 0 0 391.452 4.102 20 30 GIEDRN N#CCSc1cccc(C(=O)NCc2ccc(F)cc2Br)c1 ZINC000175684159 823020002 /nfs/dbraw/zinc/02/00/02/823020002.db2.gz RWTBGWUAHYZERG-UHFFFAOYSA-N 0 0 379.254 4.134 20 30 GIEDRN C=CCOCCCC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000175689749 823020917 /nfs/dbraw/zinc/02/09/17/823020917.db2.gz NABWHFFRMLREHX-UHFFFAOYSA-N 0 0 392.908 4.253 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCN(c2ccccc2)[C@@H]1C ZINC000570267754 823021119 /nfs/dbraw/zinc/02/11/19/823021119.db2.gz SCCTXWPLMDBNKV-DENIHFKCSA-N 0 0 380.536 4.284 20 30 GIEDRN C=CCn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc(Cl)c(Cl)c1 ZINC000570269608 823021316 /nfs/dbraw/zinc/02/13/16/823021316.db2.gz TVWDTHKEUOIGHI-CQSZACIVSA-N 0 0 381.307 4.301 20 30 GIEDRN Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OC1CCOCC1 ZINC000187181804 823021726 /nfs/dbraw/zinc/02/17/26/823021726.db2.gz LYAZSLCCMFFGNB-UHFFFAOYSA-N 0 0 376.456 4.095 20 30 GIEDRN COCCOc1c(Cl)cccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175695934 823022348 /nfs/dbraw/zinc/02/23/48/823022348.db2.gz HGZPGLWZYZGDNW-UHFFFAOYSA-N 0 0 376.865 4.233 20 30 GIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1nc2cc(Cl)ccc2n1C ZINC000175702599 823023506 /nfs/dbraw/zinc/02/35/06/823023506.db2.gz PUICMPURAVSASW-QWHCGFSZSA-N 0 0 383.835 4.170 20 30 GIEDRN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000175703147 823023591 /nfs/dbraw/zinc/02/35/91/823023591.db2.gz YYEXXORMROILQB-LLVKDONJSA-N 0 0 387.295 4.326 20 30 GIEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000570320447 823025761 /nfs/dbraw/zinc/02/57/61/823025761.db2.gz LTMBIGBFFAYJKC-LJQANCHMSA-N 0 0 379.895 4.445 20 30 GIEDRN Cc1nc(-c2c[nH]c(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c2)cs1 ZINC000175717359 823026373 /nfs/dbraw/zinc/02/63/73/823026373.db2.gz HBYSIFWSVGWJDT-UHFFFAOYSA-N 0 0 389.402 4.247 20 30 GIEDRN N#C[C@H]1N(CCC(=O)Nc2c(Cl)cccc2Cl)CCC[C@@]12CCCCO2 ZINC000570341184 823027081 /nfs/dbraw/zinc/02/70/81/823027081.db2.gz DDQHBMCGYCVFGE-APWZRJJASA-N 0 0 396.318 4.249 20 30 GIEDRN CC(=O)N(c1nc(/C=C2/Cc3cc(O)ccc3C2=O)cs1)c1ccc(F)cc1 ZINC000187224683 823027347 /nfs/dbraw/zinc/02/73/47/823027347.db2.gz OSNZPUZDUFQNMW-ZROIWOOFSA-N 0 0 394.427 4.495 20 30 GIEDRN CN(Cc1nccs1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000175736009 823029431 /nfs/dbraw/zinc/02/94/31/823029431.db2.gz OPQHVDWJLAMUTM-UHFFFAOYSA-N 0 0 392.484 4.452 20 30 GIEDRN C=CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CC(C)C)C1CCCC1 ZINC000570367535 823030025 /nfs/dbraw/zinc/03/00/25/823030025.db2.gz RRICQXQQYYDPLI-UHFFFAOYSA-N 0 0 392.507 4.185 20 30 GIEDRN Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1OCC1CCOCC1 ZINC000187259605 823032037 /nfs/dbraw/zinc/03/20/37/823032037.db2.gz WNMORHCHEXZVGD-UHFFFAOYSA-N 0 0 390.483 4.342 20 30 GIEDRN C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000570422323 823035670 /nfs/dbraw/zinc/03/56/70/823035670.db2.gz RKFGTPGLWKBUEY-UHFFFAOYSA-N 0 0 381.476 4.101 20 30 GIEDRN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)NCC(C)(C)CC#N)s2)cc1 ZINC000458392051 823036063 /nfs/dbraw/zinc/03/60/63/823036063.db2.gz JXIQEKLIOQQTLK-AWEZNQCLSA-N 0 0 386.521 4.427 20 30 GIEDRN CCOc1ccc(-c2noc(CCC(=O)O[C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000175778141 823037975 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C[C@@H](OC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(C#N)cc1 ZINC000175790869 823040993 /nfs/dbraw/zinc/04/09/93/823040993.db2.gz SFWOUUUVRBVOSW-GFCCVEGCSA-N 0 0 397.481 4.175 20 30 GIEDRN N#Cc1c(F)cccc1C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000187310831 823041135 /nfs/dbraw/zinc/04/11/35/823041135.db2.gz FKLVUIJAFFXISF-UHFFFAOYSA-N 0 0 385.398 4.153 20 30 GIEDRN N#Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000187311009 823041352 /nfs/dbraw/zinc/04/13/52/823041352.db2.gz VVQSUZKYGLFEHT-UHFFFAOYSA-N 0 0 385.398 4.153 20 30 GIEDRN CCOc1ccc(Oc2cc(CNC(=O)/C=C/c3ccccc3C#N)ccn2)cc1 ZINC000055771085 823041783 /nfs/dbraw/zinc/04/17/83/823041783.db2.gz OFYMGHDAVCPPDT-KPKJPENVSA-N 0 0 399.450 4.474 20 30 GIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3F)c2)c1 ZINC000055771953 823042366 /nfs/dbraw/zinc/04/23/66/823042366.db2.gz OMAFWVFXZQCNDW-UHFFFAOYSA-N 0 0 377.350 4.341 20 30 GIEDRN Cc1cc(CSc2ncccc2C(=O)O[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000175797946 823042809 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GIEDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000190474946 823579192 /nfs/dbraw/zinc/57/91/92/823579192.db2.gz FMGABROWJOILFL-QFIPXVFZSA-N 0 0 382.508 4.310 20 30 GIEDRN C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nnc1-c1cccc(OC)c1 ZINC000124238115 823580126 /nfs/dbraw/zinc/58/01/26/823580126.db2.gz JYVWYJAZWZKBRF-GOSISDBHSA-N 0 0 395.484 4.146 20 30 GIEDRN C=CCC[C@H](NCc1ccc(S(C)(=O)=O)o1)c1ccc(C(F)(F)F)cc1 ZINC000411485468 823580322 /nfs/dbraw/zinc/58/03/22/823580322.db2.gz QXDMMCPBRMKZSB-INIZCTEOSA-N 0 0 387.423 4.499 20 30 GIEDRN C=CCn1c(=S)n(CN2CCC(c3ccccc3)CC2)nc1-c1cccnc1 ZINC000124243237 823580382 /nfs/dbraw/zinc/58/03/82/823580382.db2.gz XVNJNILRDRAFSL-UHFFFAOYSA-N 0 0 391.544 4.499 20 30 GIEDRN C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411488750 823580691 /nfs/dbraw/zinc/58/06/91/823580691.db2.gz PPGWEONEVIYRIF-IBGZPJMESA-N 0 0 392.503 4.140 20 30 GIEDRN C[C@@H](Nc1ccn(CCC#N)n1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000124248376 823581015 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CC(C)(C)C[C@@H](NC(=O)C(=O)N[C@@H](CCCC#N)c1ccccc1)C(F)(F)F ZINC000411561377 823588234 /nfs/dbraw/zinc/58/82/34/823588234.db2.gz QSKILDZKDCMUTL-JKSUJKDBSA-N 0 0 397.441 4.021 20 30 GIEDRN COc1cc(Br)c(NCc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000124361404 823590241 /nfs/dbraw/zinc/59/02/41/823590241.db2.gz MZVWRLMKYWRBMH-LBPRGKRZSA-N 0 0 391.265 4.369 20 30 GIEDRN COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000411623201 823591773 /nfs/dbraw/zinc/59/17/73/823591773.db2.gz QXAHHKVQPVEOQI-CYBMUJFWSA-N 0 0 399.516 4.050 20 30 GIEDRN Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)NCC(C)(C)CC#N ZINC000411629730 823592385 /nfs/dbraw/zinc/59/23/85/823592385.db2.gz CPKNWCRXEKWHEJ-UHFFFAOYSA-N 0 0 381.501 4.141 20 30 GIEDRN CC(C)(CC#N)CNC(=O)C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000411642240 823593236 /nfs/dbraw/zinc/59/32/36/823593236.db2.gz XKUPBJIPRUJALQ-UHFFFAOYSA-N 0 0 385.851 4.127 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000124405780 823593957 /nfs/dbraw/zinc/59/39/57/823593957.db2.gz DMCUAALJFXFYSG-MAUKXSAKSA-N 0 0 383.448 4.182 20 30 GIEDRN C[C@@H](NC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000124407380 823593976 /nfs/dbraw/zinc/59/39/76/823593976.db2.gz IYZBKEJEEUPHKX-DLBZAZTESA-N 0 0 399.535 4.409 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000124407318 823593995 /nfs/dbraw/zinc/59/39/95/823593995.db2.gz AZIUURWEAOYQKV-DNVCBOLYSA-N 0 0 397.475 4.490 20 30 GIEDRN N#CCC[C@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000124406174 823594017 /nfs/dbraw/zinc/59/40/17/823594017.db2.gz KEHYUCUZUJRGFR-KRWDZBQOSA-N 0 0 382.407 4.170 20 30 GIEDRN CC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 ZINC000461183063 823594641 /nfs/dbraw/zinc/59/46/41/823594641.db2.gz YMFYQYOPPNILCR-RRWXTXHCSA-N 0 0 379.508 4.011 20 30 GIEDRN COc1ccc(S(=O)(=O)N[C@@H](CCC#N)c2ccccc2)c(Cl)c1Cl ZINC000124415089 823594895 /nfs/dbraw/zinc/59/48/95/823594895.db2.gz JILNFPTVVXANNI-ZDUSSCGKSA-N 0 0 399.299 4.325 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)OC)c1ccccc1C ZINC000124417950 823595000 /nfs/dbraw/zinc/59/50/00/823595000.db2.gz BQOLGQXAVRLHAC-FQEVSTJZSA-N 0 0 393.512 4.370 20 30 GIEDRN N#Cc1c2c(sc1NC(=O)CCc1nnc(-c3ccccc3)o1)CCCC2 ZINC000061432189 823597131 /nfs/dbraw/zinc/59/71/31/823597131.db2.gz SPKDWZTXQNBUNJ-UHFFFAOYSA-N 0 0 378.457 4.120 20 30 GIEDRN COc1ccc(CSC[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000190705252 823600154 /nfs/dbraw/zinc/60/01/54/823600154.db2.gz XLZINHBTYZRKKG-INIZCTEOSA-N 0 0 377.893 4.088 20 30 GIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000124480597 823600314 /nfs/dbraw/zinc/60/03/14/823600314.db2.gz GMTQQCIXOZLNLQ-UHFFFAOYSA-N 0 0 399.494 4.269 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)ccc1F ZINC000190718483 823601794 /nfs/dbraw/zinc/60/17/94/823601794.db2.gz CTJMNHXAGNIPRT-UHFFFAOYSA-N 0 0 399.853 4.261 20 30 GIEDRN C=CCN(c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCO1)C1CC1 ZINC000461237962 823602414 /nfs/dbraw/zinc/60/24/14/823602414.db2.gz CSAPYVZDFMWBSL-HNNXBMFYSA-N 0 0 376.863 4.071 20 30 GIEDRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(C#N)CC2)cc1 ZINC000061585317 823605786 /nfs/dbraw/zinc/60/57/86/823605786.db2.gz PHXGRRLPKVNISJ-UHFFFAOYSA-N 0 0 384.483 4.283 20 30 GIEDRN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCC(C#N)CC3)cc12 ZINC000061585297 823605815 /nfs/dbraw/zinc/60/58/15/823605815.db2.gz YIWNCPVIDVSQEB-UHFFFAOYSA-N 0 0 384.892 4.425 20 30 GIEDRN N#Cc1ccc(C[S@@](=O)Cc2cccc(C(=O)Nc3ccccc3)c2)cc1F ZINC000190784273 823608639 /nfs/dbraw/zinc/60/86/39/823608639.db2.gz XFOYGEKKBSWSBY-NDEPHWFRSA-N 0 0 392.455 4.399 20 30 GIEDRN C=CCc1ccccc1OC[C@H](O)CSc1nnc2sc3ccccc3n12 ZINC000061717259 823608759 /nfs/dbraw/zinc/60/87/59/823608759.db2.gz RIWNJNJQTDLTNK-HNNXBMFYSA-N 0 0 397.525 4.205 20 30 GIEDRN CCS(=O)(=O)CCCCCNc1cccc(OCc2cccc(C#N)c2)c1 ZINC000190804444 823611040 /nfs/dbraw/zinc/61/10/40/823611040.db2.gz XZVPBAWNHGKMGH-UHFFFAOYSA-N 0 0 386.517 4.154 20 30 GIEDRN CCC(CC)(CNC(=O)c1cccc(CC#N)c1)c1ccc(OC)c(OC)c1 ZINC000461278147 823611128 /nfs/dbraw/zinc/61/11/28/823611128.db2.gz NBNBLDJMUIXGKY-UHFFFAOYSA-N 0 0 380.488 4.258 20 30 GIEDRN CCOc1ccccc1C(F)(F)C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000124620823 823611831 /nfs/dbraw/zinc/61/18/31/823611831.db2.gz ITCPQXSHYTUPGL-UHFFFAOYSA-N 0 0 383.445 4.196 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC000411891723 823613532 /nfs/dbraw/zinc/61/35/32/823613532.db2.gz LKEXIJUVXYCIFN-PMPSAXMXSA-N 0 0 387.549 4.208 20 30 GIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCSc1ccc(C)c(C)c1 ZINC000461300114 823613723 /nfs/dbraw/zinc/61/37/23/823613723.db2.gz IIUBNYXHRALOHT-UHFFFAOYSA-N 0 0 391.500 4.185 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000061789981 823614517 /nfs/dbraw/zinc/61/45/17/823614517.db2.gz ZILHIIGEJURDSJ-UHFFFAOYSA-N 0 0 381.545 4.456 20 30 GIEDRN CC(=O)c1ccc2c(c1)CN([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000411952317 823616029 /nfs/dbraw/zinc/61/60/29/823616029.db2.gz UWGLUVGJNJAODQ-GOSISDBHSA-N 0 0 389.499 4.157 20 30 GIEDRN CCc1ccc([C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CCO2)cc1 ZINC000190861016 823617335 /nfs/dbraw/zinc/61/73/35/823617335.db2.gz QMVYNWZSLQGBFS-QHCPKHFHSA-N 0 0 392.499 4.270 20 30 GIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000124705402 823619336 /nfs/dbraw/zinc/61/93/36/823619336.db2.gz MWWSZAKPDMVEQA-AWEZNQCLSA-N 0 0 378.461 4.306 20 30 GIEDRN CCCCc1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 ZINC000061963630 823620123 /nfs/dbraw/zinc/62/01/23/823620123.db2.gz ULRVGJUOKUHTAE-OAQYLSRUSA-N 0 0 377.488 4.353 20 30 GIEDRN Cc1cc(F)c(Br)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000190890939 823620320 /nfs/dbraw/zinc/62/03/20/823620320.db2.gz NUIKGCOGAKIZCH-UHFFFAOYSA-N 0 0 376.229 4.432 20 30 GIEDRN N#Cc1ccccc1OCc1cccc(C(=O)N2CCOC3(CCCCC3)C2)c1 ZINC000461341797 823620821 /nfs/dbraw/zinc/62/08/21/823620821.db2.gz VUYUYHRRHHXKRO-UHFFFAOYSA-N 0 0 390.483 4.313 20 30 GIEDRN N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)cc1)c1cnc2ccccc2n1 ZINC000190914194 823623424 /nfs/dbraw/zinc/62/34/24/823623424.db2.gz COIYAAYDTBFBAW-GOSISDBHSA-N 0 0 389.418 4.459 20 30 GIEDRN C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000190916771 823623994 /nfs/dbraw/zinc/62/39/94/823623994.db2.gz VXMZDHLAOUHOMG-LLVKDONJSA-N 0 0 387.354 4.272 20 30 GIEDRN N#Cc1ccc(CSCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1F ZINC000190923710 823624929 /nfs/dbraw/zinc/62/49/29/823624929.db2.gz RINXKNLDWWGCSR-UHFFFAOYSA-N 0 0 383.473 4.353 20 30 GIEDRN CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000190928576 823625920 /nfs/dbraw/zinc/62/59/20/823625920.db2.gz RXMMDIPJIYUENV-HRCADAONSA-N 0 0 387.549 4.302 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000062389652 823632080 /nfs/dbraw/zinc/63/20/80/823632080.db2.gz KHRLIFMYRHGOKE-UHFFFAOYSA-N 0 0 391.515 4.494 20 30 GIEDRN Cc1c2ccccc2oc1C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000124867220 823632553 /nfs/dbraw/zinc/63/25/53/823632553.db2.gz HTJDUPNAERZLNM-UHFFFAOYSA-N 0 0 396.450 4.124 20 30 GIEDRN N#Cc1cccnc1-n1cc(NCc2ccc(Br)cc2Cl)cn1 ZINC000461420786 823632663 /nfs/dbraw/zinc/63/26/63/823632663.db2.gz QMGNJUAKDWCVJI-UHFFFAOYSA-N 0 0 388.656 4.167 20 30 GIEDRN C=C[C@H](CC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ccccc1 ZINC000124877490 823633262 /nfs/dbraw/zinc/63/32/62/823633262.db2.gz ASSCSXZZFPNCTP-RTBURBONSA-N 0 0 391.515 4.090 20 30 GIEDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000412188530 823634212 /nfs/dbraw/zinc/63/42/12/823634212.db2.gz SSKCUIKILVVLQY-VOBQZIQPSA-N 0 0 378.447 4.467 20 30 GIEDRN CC[C@H](OC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(F)cc1F ZINC000124930882 823638103 /nfs/dbraw/zinc/63/81/03/823638103.db2.gz JJLWQSZNVOOERR-IBGZPJMESA-N 0 0 375.419 4.319 20 30 GIEDRN Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(Br)s1 ZINC000461443909 823638790 /nfs/dbraw/zinc/63/87/90/823638790.db2.gz OREJNGONGRAMDX-UHFFFAOYSA-N 0 0 376.254 4.412 20 30 GIEDRN N#Cc1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000461443952 823638863 /nfs/dbraw/zinc/63/88/63/823638863.db2.gz PCACEUQEBYJITF-UHFFFAOYSA-N 0 0 396.410 4.185 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000124949150 823639736 /nfs/dbraw/zinc/63/97/36/823639736.db2.gz JFLNTARMDGLMJF-UHFFFAOYSA-N 0 0 397.822 4.463 20 30 GIEDRN COCCC1(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCCC1 ZINC000124954090 823640111 /nfs/dbraw/zinc/64/01/11/823640111.db2.gz KJXQLTSZOOVGBE-UHFFFAOYSA-N 0 0 391.471 4.346 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000062601654 823642206 /nfs/dbraw/zinc/64/22/06/823642206.db2.gz USWHGWDXJPAMPL-SFHVURJKSA-N 0 0 380.488 4.060 20 30 GIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000461477525 823644685 /nfs/dbraw/zinc/64/46/85/823644685.db2.gz GAUIIMVNGPBTNT-UHFFFAOYSA-N 0 0 380.473 4.476 20 30 GIEDRN C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCOC2)n1Cc1cccs1 ZINC000461477071 823644698 /nfs/dbraw/zinc/64/46/98/823644698.db2.gz DZJVNYQLLZSDGT-LJQANCHMSA-N 0 0 394.544 4.127 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCOc1ccc(F)cc1F ZINC000062897340 823647253 /nfs/dbraw/zinc/64/72/53/823647253.db2.gz JFYHDAPWWLUHKW-UHFFFAOYSA-N 0 0 390.386 4.247 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000062896774 823647258 /nfs/dbraw/zinc/64/72/58/823647258.db2.gz VJOOQSCSCJFWBA-UHFFFAOYSA-N 0 0 391.427 4.397 20 30 GIEDRN Cc1cccc(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)c1C#N ZINC000125053882 823648391 /nfs/dbraw/zinc/64/83/91/823648391.db2.gz QDGGTSAIBHJTLW-UHFFFAOYSA-N 0 0 399.450 4.331 20 30 GIEDRN C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cccs1 ZINC000461494834 823648415 /nfs/dbraw/zinc/64/84/15/823648415.db2.gz DZOPOOCXSMJRIT-LJQANCHMSA-N 0 0 396.516 4.303 20 30 GIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccccn2)n1Cc1cccs1 ZINC000461499862 823649269 /nfs/dbraw/zinc/64/92/69/823649269.db2.gz WYSSBOCGFJIVPJ-UHFFFAOYSA-N 0 0 391.500 4.278 20 30 GIEDRN CC(C)(C)[C@@H]1CCc2sc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108499 823652173 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N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1Cl ZINC000125197806 823658547 /nfs/dbraw/zinc/65/85/47/823658547.db2.gz JJOJTFQRMPSVKP-KXBFYZLASA-N 0 0 383.879 4.232 20 30 GIEDRN C=CCN(CC=C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@H]1CCOC1 ZINC000461555921 823658670 /nfs/dbraw/zinc/65/86/70/823658670.db2.gz JYHCDSWTEKXYDB-VQTJNVASSA-N 0 0 396.535 4.250 20 30 GIEDRN C=CCN(CC=C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCOC1 ZINC000461555920 823658720 /nfs/dbraw/zinc/65/87/20/823658720.db2.gz JYHCDSWTEKXYDB-UXHICEINSA-N 0 0 396.535 4.250 20 30 GIEDRN N#CCN(C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1)C1CCCC1 ZINC000125204617 823659043 /nfs/dbraw/zinc/65/90/43/823659043.db2.gz KLAKXIJKFAWJOG-UHFFFAOYSA-N 0 0 392.484 4.277 20 30 GIEDRN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)cc1 ZINC000063277402 823659154 /nfs/dbraw/zinc/65/91/54/823659154.db2.gz XHFINCYFHUOGJJ-VMPITWQZSA-N 0 0 398.509 4.235 20 30 GIEDRN C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 ZINC000412514972 823659255 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C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000063320455 823662147 /nfs/dbraw/zinc/66/21/47/823662147.db2.gz PBHDXUXLEGZQBD-UHFFFAOYSA-N 0 0 385.471 4.332 20 30 GIEDRN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc2)n1 ZINC000461579944 823663978 /nfs/dbraw/zinc/66/39/78/823663978.db2.gz PCVHCYOMGALTHN-ROUUACIJSA-N 0 0 388.471 4.006 20 30 GIEDRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Nc1ccc(CC#N)cc1 ZINC000125282775 823664774 /nfs/dbraw/zinc/66/47/74/823664774.db2.gz BCWLCXTUXALRMP-UHFFFAOYSA-N 0 0 391.258 4.162 20 30 GIEDRN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000125300013 823666037 /nfs/dbraw/zinc/66/60/37/823666037.db2.gz OSQSZUBGEGFLOT-UHFFFAOYSA-N 0 0 394.349 4.089 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000063388391 823666305 /nfs/dbraw/zinc/66/63/05/823666305.db2.gz OTBCFUXMXFYBGI-UHFFFAOYSA-N 0 0 378.457 4.397 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCSc1ccc(C)cc1 ZINC000063400669 823668144 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C=CCn1c(SCc2nc(CCC(C)C)no2)nnc1-c1ccccc1OC ZINC000063429447 823670560 /nfs/dbraw/zinc/67/05/60/823670560.db2.gz JFIKNHWAOAFDHW-UHFFFAOYSA-N 0 0 399.520 4.404 20 30 GIEDRN C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000125363298 823670689 /nfs/dbraw/zinc/67/06/89/823670689.db2.gz MAXCRJGHUZLQLN-UHFFFAOYSA-N 0 0 394.471 4.138 20 30 GIEDRN N#CCCn1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)n1 ZINC000191321254 823671354 /nfs/dbraw/zinc/67/13/54/823671354.db2.gz VDFBUZFABXSGNV-UHFFFAOYSA-N 0 0 382.811 4.281 20 30 GIEDRN C[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)CC(F)(F)F ZINC000412661322 823671954 /nfs/dbraw/zinc/67/19/54/823671954.db2.gz SJUKACDEOQJAIY-VIFPVBQESA-N 0 0 397.294 4.349 20 30 GIEDRN N#CCCn1ccc(NC(=O)Nc2ccc(OCc3ccccc3F)cc2)n1 ZINC000191340335 823674182 /nfs/dbraw/zinc/67/41/82/823674182.db2.gz FWGAHGBKUUODSP-UHFFFAOYSA-N 0 0 379.395 4.159 20 30 GIEDRN CCOc1ccc(C(F)(F)F)cc1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000063479546 823675121 /nfs/dbraw/zinc/67/51/21/823675121.db2.gz LEXSKWKPNMQRMF-UHFFFAOYSA-N 0 0 383.414 4.201 20 30 GIEDRN CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461653386 823675480 /nfs/dbraw/zinc/67/54/80/823675480.db2.gz KWQVHNFVRDZDDA-FQEVSTJZSA-N 0 0 379.508 4.012 20 30 GIEDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(CCC#N)Cc3cccnc3)c12 ZINC000063485037 823675562 /nfs/dbraw/zinc/67/55/62/823675562.db2.gz BNRDWTWJCFICNC-UHFFFAOYSA-N 0 0 397.438 4.149 20 30 GIEDRN COCC1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000412694433 823675890 /nfs/dbraw/zinc/67/58/90/823675890.db2.gz LUEZDXOWGPZAEE-UHFFFAOYSA-N 0 0 382.435 4.425 20 30 GIEDRN COCC1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000412698463 823676006 /nfs/dbraw/zinc/67/60/06/823676006.db2.gz USINPKNLQWJERT-UHFFFAOYSA-N 0 0 378.472 4.072 20 30 GIEDRN CCc1c(NC(=O)NCCCCC#N)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000191359431 823676288 /nfs/dbraw/zinc/67/62/88/823676288.db2.gz YCMOVXUUVRYGCO-UHFFFAOYSA-N 0 0 379.386 4.269 20 30 GIEDRN Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)c1C#N ZINC000125442835 823676479 /nfs/dbraw/zinc/67/64/79/823676479.db2.gz AYTIQQJOXPOLCK-UHFFFAOYSA-N 0 0 399.450 4.065 20 30 GIEDRN CCCCc1nc(-c2ccc(OCC(=O)Nc3sccc3C#N)cc2)no1 ZINC000063539062 823678284 /nfs/dbraw/zinc/67/82/84/823678284.db2.gz PCGKGONITNMVDY-UHFFFAOYSA-N 0 0 382.445 4.030 20 30 GIEDRN CC1(C)CCCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC000461671723 823678625 /nfs/dbraw/zinc/67/86/25/823678625.db2.gz YUYHKUILFJKXIT-HXUWFJFHSA-N 0 0 393.535 4.402 20 30 GIEDRN Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1OCC1CCOCC1 ZINC000125468788 823678635 /nfs/dbraw/zinc/67/86/35/823678635.db2.gz UEHYKXBEIRHGIE-UHFFFAOYSA-N 0 0 397.475 4.341 20 30 GIEDRN COc1c(Cl)cccc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000125483176 823679796 /nfs/dbraw/zinc/67/97/96/823679796.db2.gz WMSUBFFRIVBAML-UHFFFAOYSA-N 0 0 378.259 4.361 20 30 GIEDRN C=C[C@@H](CC(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C)c1ccccc1 ZINC000125485680 823680095 /nfs/dbraw/zinc/68/00/95/823680095.db2.gz RVNBIYQLBZYELV-JXFKEZNVSA-N 0 0 376.460 4.305 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000461690186 823681920 /nfs/dbraw/zinc/68/19/20/823681920.db2.gz QWZBHVLKJSZGRQ-UHFFFAOYSA-N 0 0 379.851 4.472 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000191418658 823682992 /nfs/dbraw/zinc/68/29/92/823682992.db2.gz WIUGEXKOURSRGV-NRFANRHFSA-N 0 0 377.488 4.244 20 30 GIEDRN CCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000063641729 823685946 /nfs/dbraw/zinc/68/59/46/823685946.db2.gz TZDJGNUHVNTWTO-CYBMUJFWSA-N 0 0 387.867 4.367 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000412842155 823686677 /nfs/dbraw/zinc/68/66/77/823686677.db2.gz QEELGBROAGYRKZ-KRWDZBQOSA-N 0 0 382.891 4.384 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nncn1-c1ccc(C)c(Cl)c1 ZINC000125596058 823688513 /nfs/dbraw/zinc/68/85/13/823688513.db2.gz PJRCCJXPKFXVCY-CQSZACIVSA-N 0 0 378.929 4.134 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000191473146 823688952 /nfs/dbraw/zinc/68/89/52/823688952.db2.gz IDXPINBTZNRXAT-FQEVSTJZSA-N 0 0 377.488 4.466 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC000461733315 823689044 /nfs/dbraw/zinc/68/90/44/823689044.db2.gz OLDZNMRONFBGKJ-HXUWFJFHSA-N 0 0 383.879 4.297 20 30 GIEDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461734908 823689258 /nfs/dbraw/zinc/68/92/58/823689258.db2.gz FMPIMCVIZVGCES-UHFFFAOYSA-N 0 0 393.443 4.033 20 30 GIEDRN N#Cc1ccc(OC2CN(C(=O)c3ccc(COc4ccccc4)cc3)C2)cc1 ZINC000461739035 823689664 /nfs/dbraw/zinc/68/96/64/823689664.db2.gz UZQPGCJVAHEJCP-UHFFFAOYSA-N 0 0 384.435 4.041 20 30 GIEDRN N#Cc1ccc(OC2CN(C(=O)c3cncc(-c4ccc(Cl)cc4)c3)C2)cc1 ZINC000461741281 823690274 /nfs/dbraw/zinc/69/02/74/823690274.db2.gz QQPCPBPXADLCEP-UHFFFAOYSA-N 0 0 389.842 4.177 20 30 GIEDRN C[C@H](C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000461742082 823690423 /nfs/dbraw/zinc/69/04/23/823690423.db2.gz GXSKGMRTXBYTRQ-LBPRGKRZSA-N 0 0 390.270 4.066 20 30 GIEDRN 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CCC(C)(C)N(CCC#N)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC000187529916 823082681 /nfs/dbraw/zinc/08/26/81/823082681.db2.gz RKOXZXHJLCAREE-UHFFFAOYSA-N 0 0 389.503 4.488 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000458795815 823086668 /nfs/dbraw/zinc/08/66/68/823086668.db2.gz CYTNANRRXWPGOK-NHCUHLMSSA-N 0 0 381.451 4.344 20 30 GIEDRN N#CCN1CCC(OC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000120907505 823085021 /nfs/dbraw/zinc/08/50/21/823085021.db2.gz WSAVOSNVKFTUQG-UHFFFAOYSA-N 0 0 384.863 4.064 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)c1ccccc1 ZINC000458794996 823086297 /nfs/dbraw/zinc/08/62/97/823086297.db2.gz BWBOUALKEMLLOK-FGZHOGPDSA-N 0 0 377.488 4.075 20 30 GIEDRN C[C@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1ccccc1C#N ZINC000120930520 823088570 /nfs/dbraw/zinc/08/85/70/823088570.db2.gz KLFNEUUEPDADOB-VIFPVBQESA-N 0 0 390.877 4.442 20 30 GIEDRN N#Cc1cc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1F ZINC000175984731 823088655 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CCOCCOCc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1C ZINC000181520428 821864666 /nfs/dbraw/zinc/86/46/66/821864666.db2.gz HPFDERFQMSJAFP-UHFFFAOYSA-N 0 0 378.472 4.356 20 30 GIEDRN C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccccc1Br ZINC000181541865 821874140 /nfs/dbraw/zinc/87/41/40/821874140.db2.gz RDISXLKBLBGYAK-AWEZNQCLSA-N 0 0 399.288 4.202 20 30 GIEDRN C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)Oc1ccccc1Br ZINC000181541883 821874176 /nfs/dbraw/zinc/87/41/76/821874176.db2.gz RDISXLKBLBGYAK-CQSZACIVSA-N 0 0 399.288 4.202 20 30 GIEDRN CC(C)n1nnnc1-c1ccc(NCc2cccc(OCCCC#N)c2)cc1F ZINC000181572750 821885092 /nfs/dbraw/zinc/88/50/92/821885092.db2.gz WDLVNPKDIQZMLO-UHFFFAOYSA-N 0 0 394.454 4.355 20 30 GIEDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000181597550 821896508 /nfs/dbraw/zinc/89/65/08/821896508.db2.gz KMIMEGPVZXMDLX-AWEZNQCLSA-N 0 0 397.294 4.136 20 30 GIEDRN N#Cc1cc(F)c(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c(F)c1 ZINC000181598555 821896839 /nfs/dbraw/zinc/89/68/39/821896839.db2.gz 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CC(=O)CCc1ccc(OCc2cccc(C(=O)NCC(C)(C)CC#N)c2)cc1 ZINC000457990954 822948106 /nfs/dbraw/zinc/94/81/06/822948106.db2.gz QKWCFOLTIWDNNX-UHFFFAOYSA-N 0 0 392.499 4.457 20 30 GIEDRN N#C[C@@H](COC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)Cc1ccccc1 ZINC000175367375 822948432 /nfs/dbraw/zinc/94/84/32/822948432.db2.gz DHJIVKBHBHACAM-HNNXBMFYSA-N 0 0 392.436 4.078 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCCc3cc(F)ccc32)o1 ZINC000055305666 822950681 /nfs/dbraw/zinc/95/06/81/822950681.db2.gz BQPKMSJYOKTTNF-UHFFFAOYSA-N 0 0 376.387 4.462 20 30 GIEDRN Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000458017906 822950824 /nfs/dbraw/zinc/95/08/24/822950824.db2.gz CCJQZJUPHLEPAC-GGAORHGYSA-N 0 0 384.483 4.461 20 30 GIEDRN C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1 ZINC000569656547 822951252 /nfs/dbraw/zinc/95/12/52/822951252.db2.gz VBVSTZQHFZWCOT-IRXDYDNUSA-N 0 0 393.466 4.344 20 30 GIEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000458026154 822951557 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C=CCC[C@@H](C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C)c1ccccc1 ZINC000187055845 823004660 /nfs/dbraw/zinc/00/46/60/823004660.db2.gz CTRVPDMPDVNQCG-OAQYLSRUSA-N 0 0 392.499 4.156 20 30 GIEDRN N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3OCC3CC3)CC2)cc1 ZINC000570092594 823005112 /nfs/dbraw/zinc/00/51/12/823005112.db2.gz VIDOQXKOBCLLIO-UHFFFAOYSA-N 0 0 391.471 4.422 20 30 GIEDRN N#CCCN(C(=O)c1cnn(CCC(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000187061588 823005338 /nfs/dbraw/zinc/00/53/38/823005338.db2.gz SIUIGCWMNQAQJI-UHFFFAOYSA-N 0 0 394.441 4.160 20 30 GIEDRN Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2C2CC2)c1C ZINC000570102109 823005960 /nfs/dbraw/zinc/00/59/60/823005960.db2.gz HVXFCJDQUKZNQW-KRWDZBQOSA-N 0 0 379.508 4.500 20 30 GIEDRN CC[C@@]1(CO)CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000187072022 823006587 /nfs/dbraw/zinc/00/65/87/823006587.db2.gz DRQXRPFJHLIYFJ-HSZRJFAPSA-N 0 0 394.540 4.475 20 30 GIEDRN C=CCC[C@@H](C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)c1ccccc1 ZINC000187087044 823008800 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HONQNKWMWAFRBU-UHFFFAOYSA-N 0 0 396.512 4.264 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)N(Cc2ccoc2)C2CCCCC2)cc1Cl ZINC000462319289 823923366 /nfs/dbraw/zinc/92/33/66/823923366.db2.gz PYDKGXGTLSOIKC-UHFFFAOYSA-N 0 0 378.881 4.328 20 30 GIEDRN COc1ccc(CCN2C(=O)c3ccccc3N(C)[C@@]23CCC[C@H](C#N)C3)cc1 ZINC000414196057 823925927 /nfs/dbraw/zinc/92/59/27/823925927.db2.gz VPTDMVRKSNXOFI-CYFREDJKSA-N 0 0 389.499 4.240 20 30 GIEDRN CO[C@H](c1noc(-c2ccn(-c3cccc(C#N)c3)n2)n1)c1cccc(Cl)c1 ZINC000575161935 823928051 /nfs/dbraw/zinc/92/80/51/823928051.db2.gz BWAFJSRYHFJSMA-SFHVURJKSA-N 0 0 391.818 4.183 20 30 GIEDRN C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000414206494 823928792 /nfs/dbraw/zinc/92/87/92/823928792.db2.gz FKJZNIGJVKFINW-INIZCTEOSA-N 0 0 393.512 4.155 20 30 GIEDRN C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC000575165335 823929111 /nfs/dbraw/zinc/92/91/11/823929111.db2.gz FYBWOSIOTICDQJ-WIYYLYMNSA-N 0 0 388.471 4.100 20 30 GIEDRN Cc1ccc(C[C@H](C#N)Sc2nnc(N3CCCC3)n2Cc2ccco2)cc1 ZINC000126705266 823931534 /nfs/dbraw/zinc/93/15/34/823931534.db2.gz DQTGDXZRWPNVHK-LJQANCHMSA-N 0 0 393.516 4.055 20 30 GIEDRN COCc1nc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cs1 ZINC000065066625 823933887 /nfs/dbraw/zinc/93/38/87/823933887.db2.gz WKIAPOGMCLGBOK-UHFFFAOYSA-N 0 0 395.459 4.143 20 30 GIEDRN C#Cc1cccc(N(C(=O)c2ccc(S(=O)(=O)CCCC)cc2)C(C)C)c1 ZINC000192305068 823940996 /nfs/dbraw/zinc/94/09/96/823940996.db2.gz VUUCKPZEYKMCRH-UHFFFAOYSA-N 0 0 383.513 4.297 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170693753 823941656 /nfs/dbraw/zinc/94/16/56/823941656.db2.gz NDNPRFNLACHNKW-SFTDATJTSA-N 0 0 395.459 4.213 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170693768 823941837 /nfs/dbraw/zinc/94/18/37/823941837.db2.gz LVULFLHXUCWAJM-YADHBBJMSA-N 0 0 375.472 4.176 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170693771 823942151 /nfs/dbraw/zinc/94/21/51/823942151.db2.gz LVULFLHXUCWAJM-FGZHOGPDSA-N 0 0 375.472 4.176 20 30 GIEDRN C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(Br)cc1 ZINC000462375398 823948361 /nfs/dbraw/zinc/94/83/61/823948361.db2.gz DRLOXKKAXDLBSL-LLVKDONJSA-N 0 0 397.232 4.372 20 30 GIEDRN Cn1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000126784974 823950578 /nfs/dbraw/zinc/95/05/78/823950578.db2.gz HMWXDRJXJCFLRE-LJQANCHMSA-N 0 0 392.528 4.477 20 30 GIEDRN CSc1cnn(-c2ccccc2)c1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000126792424 823952376 /nfs/dbraw/zinc/95/23/76/823952376.db2.gz QFWDPWVSSHGQEE-UHFFFAOYSA-N 0 0 377.473 4.130 20 30 GIEDRN CCc1cc(C#N)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 ZINC000126796814 823953595 /nfs/dbraw/zinc/95/35/95/823953595.db2.gz GMHIICDEJHQBOT-UHFFFAOYSA-N 0 0 387.464 4.289 20 30 GIEDRN CC(C)c1c(NC(=O)NCCOc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000192343015 823953730 /nfs/dbraw/zinc/95/37/30/823953730.db2.gz QIRUYDCNBXJDKC-UHFFFAOYSA-N 0 0 389.459 4.068 20 30 GIEDRN Cc1ccccc1C(=O)C(C(=S)N[C@@H]1CCCC[C@@H]1C)[n+]1cc([O-])ccc1C ZINC000126799531 823954121 /nfs/dbraw/zinc/95/41/21/823954121.db2.gz BMBSWYBPVMTZLW-OXJNMPFZSA-O 0 0 397.564 4.404 20 30 GIEDRN Cc1ccc([O-])c[n+]1C(C(=O)c1ccccc1)C(=S)N[C@@H]1CCCC[C@H]1C ZINC000126802724 823954867 /nfs/dbraw/zinc/95/48/67/823954867.db2.gz KYWDCJVHXBIJFD-DNVCBOLYSA-O 0 0 383.537 4.095 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000575324431 823955284 /nfs/dbraw/zinc/95/52/84/823955284.db2.gz IQDPDTCQLOTTHY-RRFJBIMHSA-N 0 0 387.549 4.331 20 30 GIEDRN C[C@H](C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462389877 823956371 /nfs/dbraw/zinc/95/63/71/823956371.db2.gz OYRAPLMMYGVYJE-LBPRGKRZSA-N 0 0 375.350 4.191 20 30 GIEDRN Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000126836440 823963130 /nfs/dbraw/zinc/96/31/30/823963130.db2.gz XBTKWBKYMCQTKF-GFCCVEGCSA-N 0 0 395.381 4.126 20 30 GIEDRN Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000170760022 823963750 /nfs/dbraw/zinc/96/37/50/823963750.db2.gz FKVMYOXJGFEUEN-KRWDZBQOSA-N 0 0 396.244 4.407 20 30 GIEDRN C[C@@H](CC(=O)NCC#Cc1cccc(F)c1)c1ccc(F)c(Br)c1 ZINC000462410302 823963895 /nfs/dbraw/zinc/96/38/95/823963895.db2.gz OFUDPCGBYVUMOP-ZDUSSCGKSA-N 0 0 392.243 4.389 20 30 GIEDRN C=CCn1c(SCCC(C)(C)O)nnc1-c1ccc(Br)cc1 ZINC000462412875 823965298 /nfs/dbraw/zinc/96/52/98/823965298.db2.gz IGQFMUJMSHIHMT-UHFFFAOYSA-N 0 0 382.327 4.147 20 30 GIEDRN N#CCN(C(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000170770663 823966255 /nfs/dbraw/zinc/96/62/55/823966255.db2.gz CISDBAOPATXNTH-UHFFFAOYSA-N 0 0 376.485 4.069 20 30 GIEDRN C=CC[C@@H]1N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO2)CCCC1(C)C ZINC000575383142 823966539 /nfs/dbraw/zinc/96/65/39/823966539.db2.gz FOMFKXYSYXSPQI-HKUYNNGSSA-N 0 0 381.524 4.090 20 30 GIEDRN Cc1cc(I)cc(NC(=O)N2CCC(CCC#N)CC2)c1 ZINC000575399729 823966900 /nfs/dbraw/zinc/96/69/00/823966900.db2.gz SNEPTOAFNPFRCI-UHFFFAOYSA-N 0 0 397.260 4.147 20 30 GIEDRN N#Cc1ccc([C@H](O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000126864770 823969612 /nfs/dbraw/zinc/96/96/12/823969612.db2.gz KWVLHPQSWLUNLB-HXUWFJFHSA-N 0 0 399.479 4.027 20 30 GIEDRN CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3ccc(OCC#N)cc3)c21 ZINC000170784617 823971361 /nfs/dbraw/zinc/97/13/61/823971361.db2.gz FFEMYUSGJMJZTP-UHFFFAOYSA-N 0 0 390.443 4.056 20 30 GIEDRN COc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OCC(F)(F)F ZINC000126877877 823972296 /nfs/dbraw/zinc/97/22/96/823972296.db2.gz LUOFHELMAPTAIR-UHFFFAOYSA-N 0 0 393.365 4.172 20 30 GIEDRN COc1ccc(-c2nc(CS(=O)(=O)CCC3(C#N)CCCCC3)co2)cc1 ZINC000414409049 823974625 /nfs/dbraw/zinc/97/46/25/823974625.db2.gz NKMAALPOAHHOQA-UHFFFAOYSA-N 0 0 388.489 4.129 20 30 GIEDRN N#CC1(CCS(=O)(=O)Cc2sccc2Br)CCCCC1 ZINC000414410481 823974894 /nfs/dbraw/zinc/97/48/94/823974894.db2.gz JCFBJXJDAZVRIL-UHFFFAOYSA-N 0 0 376.341 4.290 20 30 GIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc(O)c2)cs1 ZINC000126893920 823975666 /nfs/dbraw/zinc/97/56/66/823975666.db2.gz CFTFNEMDUOFDMT-UHFFFAOYSA-N 0 0 379.441 4.183 20 30 GIEDRN C[C@H](C(=O)N(C)Cc1ccc(OCC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462440723 823976172 /nfs/dbraw/zinc/97/61/72/823976172.db2.gz MBOFNTRECHWQFD-AWEZNQCLSA-N 0 0 376.378 4.261 20 30 GIEDRN C[C@H]1CCN(c2cc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)ccn2)C1 ZINC000575632564 823980362 /nfs/dbraw/zinc/98/03/62/823980362.db2.gz DYBRSBATBDXBNT-INIZCTEOSA-N 0 0 399.454 4.239 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)c1ncc(Br)s1 ZINC000192418521 823980972 /nfs/dbraw/zinc/98/09/72/823980972.db2.gz FXMNIRGBEHCGKT-VIFPVBQESA-N 0 0 382.308 4.410 20 30 GIEDRN Cc1cc(NC(=O)N(CCC#N)Cc2ccccn2)cc(C)c1Br ZINC000192418807 823981377 /nfs/dbraw/zinc/98/13/77/823981377.db2.gz MEVSZWITAWIDTP-UHFFFAOYSA-N 0 0 387.281 4.409 20 30 GIEDRN N#CCOc1cccc(CC(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000126934879 823984902 /nfs/dbraw/zinc/98/49/02/823984902.db2.gz HFJGIIVFLOJGHB-UHFFFAOYSA-N 0 0 384.391 4.401 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NC2(c3ccccc3F)CC2)o1 ZINC000126936044 823984967 /nfs/dbraw/zinc/98/49/67/823984967.db2.gz XCFHAWNSDZHXGN-UHFFFAOYSA-N 0 0 376.387 4.288 20 30 GIEDRN C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC000575748257 823985211 /nfs/dbraw/zinc/98/52/11/823985211.db2.gz IUFCOYIJMCJBPL-INIZCTEOSA-N 0 0 383.496 4.419 20 30 GIEDRN Cc1cc(-c2csc(NC(=O)Cc3cccc(OCC#N)c3)n2)c(F)cc1F ZINC000126948244 823987570 /nfs/dbraw/zinc/98/75/70/823987570.db2.gz KHHHIBQIRUJKPG-UHFFFAOYSA-N 0 0 399.422 4.480 20 30 GIEDRN N#CCOc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000170843907 823988612 /nfs/dbraw/zinc/98/86/12/823988612.db2.gz LTPFQLZAWJQETB-UHFFFAOYSA-N 0 0 392.455 4.293 20 30 GIEDRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000170845372 823988737 /nfs/dbraw/zinc/98/87/37/823988737.db2.gz KEARWZMGARMGPP-UHFFFAOYSA-N 0 0 379.391 4.062 20 30 GIEDRN CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(F)c1 ZINC000170855400 823991875 /nfs/dbraw/zinc/99/18/75/823991875.db2.gz IHBDGJXXNXKAGM-UHFFFAOYSA-N 0 0 386.448 4.248 20 30 GIEDRN CCN(C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000170866462 823994225 /nfs/dbraw/zinc/99/42/25/823994225.db2.gz QAIQWVIQXNMZDK-CYBMUJFWSA-N 0 0 399.472 4.420 20 30 GIEDRN CC[C@@H](C#N)Sc1nc2cc(Cl)ccc2c(=O)n1CCCOC(C)C ZINC000126991112 823995960 /nfs/dbraw/zinc/99/59/60/823995960.db2.gz DCKPYJUKFIZWOY-AWEZNQCLSA-N 0 0 379.913 4.259 20 30 GIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000575794765 823998741 /nfs/dbraw/zinc/99/87/41/823998741.db2.gz KKHCSRZSELMEER-ODAXIHTASA-N 0 0 389.499 4.388 20 30 GIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cccs1 ZINC000575797785 823999518 /nfs/dbraw/zinc/99/95/18/823999518.db2.gz HDRKDEPKCLZUIU-AWEZNQCLSA-N 0 0 376.489 4.275 20 30 GIEDRN C=C(C)Cn1c(N(C)Cc2ccc(OC)c(Cl)c2)nnc1[C@@]1(C)CCCO1 ZINC000414525283 824001634 /nfs/dbraw/zinc/00/16/34/824001634.db2.gz LYCIKKVRLHCOCQ-HXUWFJFHSA-N 0 0 390.915 4.178 20 30 GIEDRN C=C[C@@H](CC(=O)N[C@H](CCC)C(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000127020785 824001816 /nfs/dbraw/zinc/00/18/16/824001816.db2.gz KVKCQZLRLUKWBT-FXAWDEMLSA-N 0 0 396.556 4.278 20 30 GIEDRN Cc1noc(C)c1COc1ccc(CC(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000170898430 824002638 /nfs/dbraw/zinc/00/26/38/824002638.db2.gz JBOKSPPUYXXCJN-UHFFFAOYSA-N 0 0 383.492 4.201 20 30 GIEDRN N#CCSc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000127026883 824003210 /nfs/dbraw/zinc/00/32/10/824003210.db2.gz ADNYVFBDWFYQHV-PKOBYXMFSA-N 0 0 384.501 4.404 20 30 GIEDRN C=C(C)Cn1c(-c2ccccc2OC)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC000414533543 824003496 /nfs/dbraw/zinc/00/34/96/824003496.db2.gz FHODAXSLBXEGGT-UHFFFAOYSA-N 0 0 388.471 4.253 20 30 GIEDRN C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000414535058 824004510 /nfs/dbraw/zinc/00/45/10/824004510.db2.gz XMMCZFQPEUSSSW-HUUCEWRRSA-N 0 0 386.462 4.163 20 30 GIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1Cc2cccc(F)c2C1 ZINC000414544920 824007332 /nfs/dbraw/zinc/00/73/32/824007332.db2.gz VSRWYRZZLUHDLP-UHFFFAOYSA-N 0 0 378.451 4.230 20 30 GIEDRN 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N#CCCCS(=O)(=O)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000183278226 822452586 /nfs/dbraw/zinc/45/25/86/822452586.db2.gz RUPNPZHXCWCCSP-KRWDZBQOSA-N 0 0 383.300 4.306 20 30 GIEDRN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1coc(-c2c(F)cccc2F)n1 ZINC000179235495 822455343 /nfs/dbraw/zinc/45/53/43/822455343.db2.gz XINWOCFNZLLVGY-APSNUPSMSA-N 0 0 392.427 4.152 20 30 GIEDRN C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000179240067 822456329 /nfs/dbraw/zinc/45/63/29/822456329.db2.gz IBTUJELXHHYQPB-NSHDSACASA-N 0 0 381.234 4.455 20 30 GIEDRN CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2CC)cc1C#N ZINC000179245615 822456768 /nfs/dbraw/zinc/45/67/68/822456768.db2.gz VHUHMINKHCMZJV-CQSZACIVSA-N 0 0 380.448 4.128 20 30 GIEDRN COc1cc(C)c(CN(C)C(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1OC ZINC000454314378 822456846 /nfs/dbraw/zinc/45/68/46/822456846.db2.gz DZKPYJNTEWFBNM-UHFFFAOYSA-N 0 0 380.488 4.111 20 30 GIEDRN N#Cc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000046309263 822460376 /nfs/dbraw/zinc/46/03/76/822460376.db2.gz YTJXOISGWHUOLL-UHFFFAOYSA-N 0 0 375.403 4.134 20 30 GIEDRN COCCOc1cccc(CNC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000046365111 822466224 /nfs/dbraw/zinc/46/62/24/822466224.db2.gz MPHJBQWMUKXGKP-UHFFFAOYSA-N 0 0 386.451 4.180 20 30 GIEDRN N#CCCn1cc(C(=O)CN2CC[C@@H](Oc3cccc(F)c3)C2)c2ccccc21 ZINC000183384402 822466821 /nfs/dbraw/zinc/46/68/21/822466821.db2.gz JUQUBYAHMSRTIF-LJQANCHMSA-N 0 0 391.446 4.030 20 30 GIEDRN CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183397288 822468013 /nfs/dbraw/zinc/46/80/13/822468013.db2.gz XEOSZQFMMBAVDF-UHFFFAOYSA-N 0 0 399.310 4.151 20 30 GIEDRN N#Cc1cccc(OCc2cccc(C(=O)NCCC[C@@H]3CCCCO3)c2)c1 ZINC000183411727 822470416 /nfs/dbraw/zinc/47/04/16/822470416.db2.gz KXAKGWUKCRTTCR-NRFANRHFSA-N 0 0 378.472 4.216 20 30 GIEDRN N#Cc1cccc(OCc2cccc(C(=O)NCCC[C@H]3CCCCO3)c2)c1 ZINC000183411747 822470522 /nfs/dbraw/zinc/47/05/22/822470522.db2.gz KXAKGWUKCRTTCR-OAQYLSRUSA-N 0 0 378.472 4.216 20 30 GIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(Cl)c1Cl ZINC000046419129 822471906 /nfs/dbraw/zinc/47/19/06/822471906.db2.gz CSPCTQFEKYLVMQ-UHFFFAOYSA-N 0 0 388.258 4.096 20 30 GIEDRN C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183422666 822472476 /nfs/dbraw/zinc/47/24/76/822472476.db2.gz LJPCEKSLOLNRIC-LLVKDONJSA-N 0 0 391.905 4.203 20 30 GIEDRN CC1(C)CCC[C@H](C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)C1 ZINC000179377460 822473417 /nfs/dbraw/zinc/47/34/17/822473417.db2.gz CAHUHTMEBXBQCM-GXTWGEPZSA-N 0 0 383.517 4.256 20 30 GIEDRN CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183459440 822478342 /nfs/dbraw/zinc/47/83/42/822478342.db2.gz VQEHUTBPXXPNFP-UHFFFAOYSA-N 0 0 388.798 4.051 20 30 GIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCC[C@H]2CO)cc1Cl ZINC000454476818 822481439 /nfs/dbraw/zinc/48/14/39/822481439.db2.gz BWPZWQCVHQHGNC-CVAIRZPRSA-N 0 0 383.879 4.278 20 30 GIEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N(CC#N)c1ccccc1)c1ccccc1 ZINC000179442271 822483605 /nfs/dbraw/zinc/48/36/05/822483605.db2.gz YZCOZPMUZCTLSJ-LJQANCHMSA-N 0 0 379.460 4.199 20 30 GIEDRN C[C@@H]1[C@H](O)CCCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000454494116 822484508 /nfs/dbraw/zinc/48/45/08/822484508.db2.gz WMSSEVZUKZROLZ-HEFCMCLBSA-N 0 0 383.879 4.373 20 30 GIEDRN CC[C@](C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)OC ZINC000454495478 822484670 /nfs/dbraw/zinc/48/46/70/822484670.db2.gz BLBSAWUUESQHKI-JOCHJYFZSA-N 0 0 381.476 4.268 20 30 GIEDRN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000183506623 822487426 /nfs/dbraw/zinc/48/74/26/822487426.db2.gz XKIVAHRINQVMBB-CQSZACIVSA-N 0 0 385.851 4.265 20 30 GIEDRN COC1(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCC1 ZINC000454509950 822487596 /nfs/dbraw/zinc/48/75/96/822487596.db2.gz NNLCXAHWCLKJKQ-UHFFFAOYSA-N 0 0 393.487 4.412 20 30 GIEDRN CO[C@@H]([C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 ZINC000454514525 822488374 /nfs/dbraw/zinc/48/83/74/822488374.db2.gz RPNKIFILUICZGG-AOMKIAJQSA-N 0 0 393.487 4.267 20 30 GIEDRN C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1nccs1 ZINC000183513757 822488610 /nfs/dbraw/zinc/48/86/10/822488610.db2.gz KROLIFOIHSTNAZ-OAHLLOKOSA-N 0 0 377.469 4.127 20 30 GIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@@H]3CCCC3(F)F)c2)c1 ZINC000454514854 822488572 /nfs/dbraw/zinc/48/85/72/822488572.db2.gz FZEDKRGKQPYCBQ-INIZCTEOSA-N 0 0 398.413 4.367 20 30 GIEDRN CO[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000454522663 822490997 /nfs/dbraw/zinc/49/09/97/822490997.db2.gz GLLHPHKBLVJZLA-VGOFRKELSA-N 0 0 393.487 4.220 20 30 GIEDRN N#CCC[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000179497647 822491351 /nfs/dbraw/zinc/49/13/51/822491351.db2.gz WRXVRDSCLKXZKA-IAGOWNOFSA-N 0 0 385.261 4.086 20 30 GIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000454524637 822491399 /nfs/dbraw/zinc/49/13/99/822491399.db2.gz IYLPDBQHNCJUSP-FPOVZHCZSA-N 0 0 375.472 4.499 20 30 GIEDRN C=CCc1ccc(OCC(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c(OC)c1 ZINC000046616031 822493156 /nfs/dbraw/zinc/49/31/56/822493156.db2.gz SGLSQVWGWMKJKI-UHFFFAOYSA-N 0 0 396.487 4.344 20 30 GIEDRN C[S@](=O)Cc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000046632633 822495991 /nfs/dbraw/zinc/49/59/91/822495991.db2.gz OCGDBAXRHKSPSL-AREMUKBSSA-N 0 0 379.506 4.279 20 30 GIEDRN C[S@@](=O)Cc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000046632629 822496054 /nfs/dbraw/zinc/49/60/54/822496054.db2.gz OCGDBAXRHKSPSL-SANMLTNESA-N 0 0 379.506 4.279 20 30 GIEDRN CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000046645402 822497530 /nfs/dbraw/zinc/49/75/30/822497530.db2.gz GBVABZRAGYGKCK-MRXNPFEDSA-N 0 0 384.451 4.475 20 30 GIEDRN Cc1nc(COc2cccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)c2)no1 ZINC000179542845 822500071 /nfs/dbraw/zinc/50/00/71/822500071.db2.gz LKIVICDCNUYLGV-UHFFFAOYSA-N 0 0 396.472 4.440 20 30 GIEDRN Cc1noc(CSc2ccccc2C(=O)N[C@@H](C#N)c2ccccc2Cl)n1 ZINC000179545668 822500696 /nfs/dbraw/zinc/50/06/96/822500696.db2.gz LMQSTVJJHDRHOD-INIZCTEOSA-N 0 0 398.875 4.318 20 30 GIEDRN Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000179549414 822501556 /nfs/dbraw/zinc/50/15/56/822501556.db2.gz GKXBSBAGCDWWTI-UHFFFAOYSA-N 0 0 383.502 4.392 20 30 GIEDRN Cc1cc(CSc2ncccc2C(=O)N[C@H](C#N)c2ccccc2Cl)no1 ZINC000179550388 822501728 /nfs/dbraw/zinc/50/17/28/822501728.db2.gz KARRIAOEIHRGCF-QGZVFWFLSA-N 0 0 398.875 4.318 20 30 GIEDRN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C#N)c2ccccc2Cl)no1 ZINC000179550374 822501753 /nfs/dbraw/zinc/50/17/53/822501753.db2.gz KARRIAOEIHRGCF-KRWDZBQOSA-N 0 0 398.875 4.318 20 30 GIEDRN COc1ccc(-n2nnc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)c2C)cc1 ZINC000179551680 822502021 /nfs/dbraw/zinc/50/20/21/822502021.db2.gz IADDJDINQHUKDR-UHFFFAOYSA-N 0 0 395.488 4.067 20 30 GIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000183619163 822502214 /nfs/dbraw/zinc/50/22/14/822502214.db2.gz XYDVULPCACGBNX-CJNGLKHVSA-N 0 0 384.289 4.308 20 30 GIEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000454593360 822502939 /nfs/dbraw/zinc/50/29/39/822502939.db2.gz LGPOSAFXDJSHIX-YADHBBJMSA-N 0 0 396.487 4.267 20 30 GIEDRN N#C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)c1ccccc1Cl ZINC000179556751 822503329 /nfs/dbraw/zinc/50/33/29/822503329.db2.gz ZTMJIMOXINFZRA-SFHVURJKSA-N 0 0 389.282 4.423 20 30 GIEDRN C[C@@H](O)[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000183633437 822504201 /nfs/dbraw/zinc/50/42/01/822504201.db2.gz UXUVAXWQHJFWFO-RHSMWYFYSA-N 0 0 399.878 4.025 20 30 GIEDRN N#Cc1cc(NC(=O)CCOc2ccccc2F)ccc1OCC(F)(F)F ZINC000046693924 822506258 /nfs/dbraw/zinc/50/62/58/822506258.db2.gz OCKDRFMOBUTJRP-UHFFFAOYSA-N 0 0 382.313 4.046 20 30 GIEDRN Cc1nn(C)c2sc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cc12 ZINC000046693990 822506439 /nfs/dbraw/zinc/50/64/39/822506439.db2.gz LMCLJXBGHHCYQE-UHFFFAOYSA-N 0 0 394.378 4.008 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000183659725 822507038 /nfs/dbraw/zinc/50/70/38/822507038.db2.gz IDYGOZVTLACMRE-HNNXBMFYSA-N 0 0 378.432 4.138 20 30 GIEDRN C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000183661096 822507221 /nfs/dbraw/zinc/50/72/21/822507221.db2.gz WEUHIEAJIMOGBQ-YLJYHZDGSA-N 0 0 395.507 4.233 20 30 GIEDRN N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000046706940 822507690 /nfs/dbraw/zinc/50/76/90/822507690.db2.gz YEYHETLXCGPTCH-CYBMUJFWSA-N 0 0 383.860 4.419 20 30 GIEDRN C[C@@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000046707214 822507731 /nfs/dbraw/zinc/50/77/31/822507731.db2.gz XFISRXLVOWMHIO-BBRMVZONSA-N 0 0 391.496 4.233 20 30 GIEDRN C[C@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000046707216 822507741 /nfs/dbraw/zinc/50/77/41/822507741.db2.gz XFISRXLVOWMHIO-CJNGLKHVSA-N 0 0 391.496 4.233 20 30 GIEDRN CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000183672004 822508887 /nfs/dbraw/zinc/50/88/87/822508887.db2.gz GWBSSKQYIJFPNE-CHWSQXEVSA-N 0 0 384.361 4.087 20 30 GIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccccc2Oc2ccccc2)cn1 ZINC000183673588 822509218 /nfs/dbraw/zinc/50/92/18/822509218.db2.gz RTMWPTPGCCBOIZ-UHFFFAOYSA-N 0 0 381.395 4.184 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000454646108 822511676 /nfs/dbraw/zinc/51/16/76/822511676.db2.gz PQWBOELNUXDWKW-UHFFFAOYSA-N 0 0 375.350 4.217 20 30 GIEDRN N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cn1 ZINC000183691100 822512354 /nfs/dbraw/zinc/51/23/54/822512354.db2.gz DYJJOVKXCYTIEL-IAGOWNOFSA-N 0 0 398.253 4.188 20 30 GIEDRN COc1ccc([C@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C(C)C)cc1 ZINC000046756951 822513946 /nfs/dbraw/zinc/51/39/46/822513946.db2.gz ZZVQCXSHCOEJDJ-HSZRJFAPSA-N 0 0 396.487 4.248 20 30 GIEDRN C[C@@H](CCCc1ccccc1)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000179638740 822517657 /nfs/dbraw/zinc/51/76/57/822517657.db2.gz BVKQKRHBDNLCKS-NRFANRHFSA-N 0 0 389.543 4.252 20 30 GIEDRN C[C@@H]1C[C@@H](O)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000454693450 822518266 /nfs/dbraw/zinc/51/82/66/822518266.db2.gz CTEOODNVLCRIMQ-RDTXWAMCSA-N 0 0 399.878 4.025 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(c2ccccc2F)CC1 ZINC000179651977 822520097 /nfs/dbraw/zinc/52/00/97/822520097.db2.gz QWKSCZZSHYRUOZ-HNNXBMFYSA-N 0 0 383.492 4.295 20 30 GIEDRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454706743 822521117 /nfs/dbraw/zinc/52/11/17/822521117.db2.gz ZYDHLGFZQRKBSO-UHFFFAOYSA-N 0 0 390.462 4.077 20 30 GIEDRN CO[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000454708532 822521292 /nfs/dbraw/zinc/52/12/92/822521292.db2.gz HAIWVSHPMRMCSJ-MGPUTAFESA-N 0 0 397.450 4.165 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 ZINC000183746619 822521550 /nfs/dbraw/zinc/52/15/50/822521550.db2.gz KFUZPQWRNJRIBO-UYAOXDASSA-N 0 0 389.496 4.276 20 30 GIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]([C@@H](CO)C3CC3)C3CC3)c2)cc1 ZINC000454715255 822522534 /nfs/dbraw/zinc/52/25/34/822522534.db2.gz DOQBOWJXXOKVJB-FCHUYYIVSA-N 0 0 391.471 4.269 20 30 GIEDRN N#CCC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000179668783 822523554 /nfs/dbraw/zinc/52/35/54/822523554.db2.gz WBHKRRVNVZSMLV-QUCCMNQESA-N 0 0 382.895 4.263 20 30 GIEDRN 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/nfs/dbraw/zinc/06/53/77/823065377.db2.gz NKZBISSDJYKKSN-UHFFFAOYSA-N 0 0 380.455 4.192 20 30 GIEDRN CC(C)(CC#N)CNC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000458635257 823067833 /nfs/dbraw/zinc/06/78/33/823067833.db2.gz DQEXIZQMCOPMEC-INIZCTEOSA-N 0 0 382.533 4.155 20 30 GIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCNC(=O)c1ccco1 ZINC000120801829 823066891 /nfs/dbraw/zinc/06/68/91/823066891.db2.gz ONMXDWBSEMGODX-UHFFFAOYSA-N 0 0 379.441 4.028 20 30 GIEDRN C[C@H](c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1)N1CCOCC1 ZINC000120808725 823068375 /nfs/dbraw/zinc/06/83/75/823068375.db2.gz DODNBWHTBGWJIX-GCJKJVERSA-N 0 0 392.503 4.246 20 30 GIEDRN C[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000055941314 823068632 /nfs/dbraw/zinc/06/86/32/823068632.db2.gz IQBWKZGWFYEFCB-OAHLLOKOSA-N 0 0 387.414 4.441 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1N1C(=O)[C@@H]2C[C@H](C)CCN2C1=O ZINC000570669163 823069634 /nfs/dbraw/zinc/06/96/34/823069634.db2.gz HEYAGPVWVMXPHO-VLIAUNLRSA-N 0 0 375.428 4.226 20 30 GIEDRN CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000458653484 823070117 /nfs/dbraw/zinc/07/01/17/823070117.db2.gz OBODMRXVDNWXKK-PNLZDCPESA-N 0 0 377.488 4.353 20 30 GIEDRN Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1C ZINC000120826872 823072210 /nfs/dbraw/zinc/07/22/10/823072210.db2.gz LZADBIQUWYPMFZ-UWJYYQICSA-N 0 0 397.544 4.074 20 30 GIEDRN C=C(C)[C@@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1ccc(F)c(F)c1 ZINC000187490198 823074203 /nfs/dbraw/zinc/07/42/03/823074203.db2.gz AXWPQRHQWDGVDA-OAQYLSRUSA-N 0 0 396.441 4.326 20 30 GIEDRN N#CCCC[C@H](NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000458686216 823074226 /nfs/dbraw/zinc/07/42/26/823074226.db2.gz LSMGRESPGYWVSU-LEWJYISDSA-N 0 0 396.535 4.044 20 30 GIEDRN C=CCC[C@@H](CO)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000458696044 823075309 /nfs/dbraw/zinc/07/53/09/823075309.db2.gz TVFSZMSAVJUSES-KBPBESRZSA-N 0 0 398.347 4.325 20 30 GIEDRN C=CCn1c(SCc2ccc(-n3ccnc3)nc2)nnc1-c1ccccc1F ZINC000175932048 823075775 /nfs/dbraw/zinc/07/57/75/823075775.db2.gz QORHOKGVOWHBPV-UHFFFAOYSA-N 0 0 392.463 4.143 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000187511118 823078088 /nfs/dbraw/zinc/07/80/88/823078088.db2.gz VJXULFOFVVFMOJ-UHFFFAOYSA-N 0 0 375.419 4.483 20 30 GIEDRN CCN(C[C@H](C)C#N)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000056014590 823078903 /nfs/dbraw/zinc/07/89/03/823078903.db2.gz GNZOWUKFGLGVEG-MRXNPFEDSA-N 0 0 389.455 4.236 20 30 GIEDRN N#CC1CCC(CNC(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000458746377 823080675 /nfs/dbraw/zinc/08/06/75/823080675.db2.gz XRWVUSQIXGMMMS-UHFFFAOYSA-N 0 0 381.398 4.203 20 30 GIEDRN C=CCCCC(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000175952129 823080853 /nfs/dbraw/zinc/08/08/53/823080853.db2.gz BAROZXQFEABTPP-JOCHJYFZSA-N 0 0 385.529 4.269 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000458747334 823080967 /nfs/dbraw/zinc/08/09/67/823080967.db2.gz YIZSAQJDBBANQF-JOCQHMNTSA-N 0 0 382.277 4.073 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000458795816 823086600 /nfs/dbraw/zinc/08/66/00/823086600.db2.gz CYTNANRRXWPGOK-RTWAWAEBSA-N 0 0 381.451 4.344 20 30 GIEDRN C=CC[C@@H](C)NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC000187527958 823082147 /nfs/dbraw/zinc/08/21/47/823082147.db2.gz VMMHBEIGDPQJBD-PXAZEXFGSA-N 0 0 380.414 4.356 20 30 GIEDRN N#CCc1ccc(OC[C@H](O)CSc2ccccc2Br)cc1 ZINC000570763484 823082969 /nfs/dbraw/zinc/08/29/69/823082969.db2.gz OORVNWXZRGDVPN-AWEZNQCLSA-N 0 0 378.291 4.047 20 30 GIEDRN N#Cc1ccc(NC(=O)CSc2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000120907599 823085162 /nfs/dbraw/zinc/08/51/62/823085162.db2.gz NWSLAFTZJIWUIG-UHFFFAOYSA-N 0 0 386.436 4.492 20 30 GIEDRN COc1ccc(CN(C)C(=O)N[C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000458798826 823087348 /nfs/dbraw/zinc/08/73/48/823087348.db2.gz IRUIGAANJKDQOD-HXUWFJFHSA-N 0 0 381.476 4.280 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000458801622 823087878 /nfs/dbraw/zinc/08/78/78/823087878.db2.gz NLLYUWUMCSHJQP-JOCHJYFZSA-N 0 0 394.494 4.088 20 30 GIEDRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458803246 823088571 /nfs/dbraw/zinc/08/85/71/823088571.db2.gz QTQXQLDBKALWLK-RBUKOAKNSA-N 0 0 385.508 4.185 20 30 GIEDRN COc1cc2c(cc1F)CN(C(=O)N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000458804109 823088695 /nfs/dbraw/zinc/08/86/95/823088695.db2.gz SBOKIWAZZBYGNS-HXUWFJFHSA-N 0 0 381.451 4.337 20 30 GIEDRN N#CCCC[C@H](NC(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 ZINC000458803864 823088755 /nfs/dbraw/zinc/08/87/55/823088755.db2.gz RRONEBJREYGAGY-RTWAWAEBSA-N 0 0 381.476 4.405 20 30 GIEDRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458804372 823088790 /nfs/dbraw/zinc/08/87/90/823088790.db2.gz SLMSQCRGRBLPRD-MRXNPFEDSA-N 0 0 393.413 4.015 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)CCCc1ccc(SC)cc1 ZINC000570804067 823089567 /nfs/dbraw/zinc/08/95/67/823089567.db2.gz KIAJLCHYIRDGTI-UHFFFAOYSA-N 0 0 384.501 4.267 20 30 GIEDRN N#CCCC[C@H](NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1 ZINC000458809223 823089968 /nfs/dbraw/zinc/08/99/68/823089968.db2.gz AFPHPNDQVCRXOP-PMACEKPBSA-N 0 0 385.895 4.498 20 30 GIEDRN C[C@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1cccs1 ZINC000056153484 823090125 /nfs/dbraw/zinc/09/01/25/823090125.db2.gz YWAUCQZHUMXPHG-INIZCTEOSA-N 0 0 391.496 4.316 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCC[C@H](Oc2ncccc2F)C1)c1ccccc1 ZINC000458812225 823090447 /nfs/dbraw/zinc/09/04/47/823090447.db2.gz CNTAARSENYKDIN-AZUAARDMSA-N 0 0 396.466 4.209 20 30 GIEDRN COC1(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCC1 ZINC000458819066 823091456 /nfs/dbraw/zinc/09/14/56/823091456.db2.gz ONBLPUJPNAAOGQ-UHFFFAOYSA-N 0 0 395.478 4.368 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187584941 823092911 /nfs/dbraw/zinc/09/29/11/823092911.db2.gz WKWHAJIXBCPADN-HXUWFJFHSA-N 0 0 376.456 4.382 20 30 GIEDRN CCOC(=O)C(C)(C)C1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458827327 823093113 /nfs/dbraw/zinc/09/31/13/823093113.db2.gz DDDTVJMCLLIHBS-FQEVSTJZSA-N 0 0 399.535 4.432 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC2(C1)Oc1ccccc1O2)c1ccccc1 ZINC000458852866 823097685 /nfs/dbraw/zinc/09/76/85/823097685.db2.gz WCJICKPJMFJQCH-SFHVURJKSA-N 0 0 377.444 4.005 20 30 GIEDRN Cc1c(Cl)cccc1N1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000570834921 823093389 /nfs/dbraw/zinc/09/33/89/823093389.db2.gz PKLRAAXSGARWRY-UHFFFAOYSA-N 0 0 377.879 4.180 20 30 GIEDRN Cc1noc(C)c1CO[C@H]1CCN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000570838363 823093790 /nfs/dbraw/zinc/09/37/90/823093790.db2.gz RDZFHLJVHWBJJX-HNNXBMFYSA-N 0 0 382.851 4.160 20 30 GIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458851238 823097743 /nfs/dbraw/zinc/09/77/43/823097743.db2.gz UZQVBVWDVNCXSU-AMGKQAFBSA-N 0 0 383.536 4.393 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000458834407 823094759 /nfs/dbraw/zinc/09/47/59/823094759.db2.gz JIPDQBBECGFALA-FYYLOGMGSA-N 0 0 375.472 4.263 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCc1cc2ccccc2s1 ZINC000458836218 823095276 /nfs/dbraw/zinc/09/52/76/823095276.db2.gz XPAFDCDCEXAMHN-UHFFFAOYSA-N 0 0 384.501 4.317 20 30 GIEDRN CCn1nccc1C1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458836703 823095575 /nfs/dbraw/zinc/09/55/75/823095575.db2.gz KUKNEDUEKYMOFR-HXUWFJFHSA-N 0 0 379.508 4.227 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)c1ncccc1Oc1ccccc1 ZINC000570852935 823095727 /nfs/dbraw/zinc/09/57/27/823095727.db2.gz HBZASUBBPSJKCH-UHFFFAOYSA-N 0 0 387.439 4.034 20 30 GIEDRN N#CCCN(C(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 ZINC000120976588 823096066 /nfs/dbraw/zinc/09/60/66/823096066.db2.gz JFUIDEXQRFARMQ-UHFFFAOYSA-N 0 0 377.227 4.325 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458842522 823096563 /nfs/dbraw/zinc/09/65/63/823096563.db2.gz PMVNAXUGQFPBFW-QFIPXVFZSA-N 0 0 390.487 4.151 20 30 GIEDRN COc1ccc2c(c1)CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)CC2 ZINC000458846002 823096810 /nfs/dbraw/zinc/09/68/10/823096810.db2.gz QJCSHEBSVLZSOQ-JOCHJYFZSA-N 0 0 377.488 4.241 20 30 GIEDRN N#CCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000120984015 823097463 /nfs/dbraw/zinc/09/74/63/823097463.db2.gz AJFPMBNDNPSSKL-UHFFFAOYSA-N 0 0 377.227 4.325 20 30 GIEDRN CC[C@H](C#N)OC(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC000176020219 823097474 /nfs/dbraw/zinc/09/74/74/823097474.db2.gz BVYYZDACXQBYOX-GFCCVEGCSA-N 0 0 377.263 4.454 20 30 GIEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCCc2ccc(C)s2)cc1Cl ZINC000176020209 823097614 /nfs/dbraw/zinc/09/76/14/823097614.db2.gz KCJAUJCGMUZBJR-HNNXBMFYSA-N 0 0 390.892 4.389 20 30 GIEDRN C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000570888395 823102827 /nfs/dbraw/zinc/10/28/27/823102827.db2.gz TWOIRANGYWFXLL-DOTOQJQBSA-N 0 0 387.509 4.150 20 30 GIEDRN CCCCCCCCc1nnc(NC(=O)c2cn(C)nc2C(F)(F)F)s1 ZINC000121003091 823101044 /nfs/dbraw/zinc/10/10/44/823101044.db2.gz WXGZLZAIDMYJRS-UHFFFAOYSA-N 0 0 389.447 4.446 20 30 GIEDRN N#CCCN(Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)CC(F)(F)F ZINC000176041893 823104500 /nfs/dbraw/zinc/10/45/00/823104500.db2.gz DGHNUBFSRVSECH-UHFFFAOYSA-N 0 0 395.454 4.075 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(Br)cc1F ZINC000056212759 823104627 /nfs/dbraw/zinc/10/46/27/823104627.db2.gz RLBNNQWNOYILLN-UHFFFAOYSA-N 0 0 377.213 4.499 20 30 GIEDRN COc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1Br ZINC000056213268 823105005 /nfs/dbraw/zinc/10/50/05/823105005.db2.gz LQHOACILJNNVPS-UHFFFAOYSA-N 0 0 389.249 4.369 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000458935046 823108501 /nfs/dbraw/zinc/10/85/01/823108501.db2.gz UAHCUIJWAJHIHX-YLJYHZDGSA-N 0 0 382.508 4.464 20 30 GIEDRN Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)nnn1-c1cccc(Cl)c1 ZINC000056221793 823106231 /nfs/dbraw/zinc/10/62/31/823106231.db2.gz YMCRYUGJHYUPCV-UHFFFAOYSA-N 0 0 395.850 4.140 20 30 GIEDRN N#CCCC1CCN(C(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000570923103 823108016 /nfs/dbraw/zinc/10/80/16/823108016.db2.gz GJYDLJQSAKOZSQ-QGZVFWFLSA-N 0 0 376.298 4.162 20 30 GIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)c1 ZINC000121051278 823109386 /nfs/dbraw/zinc/10/93/86/823109386.db2.gz YTWFOSDQIOTYBC-UHFFFAOYSA-N 0 0 392.377 4.324 20 30 GIEDRN CC[C@](C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OC ZINC000458991731 823113797 /nfs/dbraw/zinc/11/37/97/823113797.db2.gz CIFFZAZQCVHMCP-JOCHJYFZSA-N 0 0 383.467 4.224 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000056237866 823109824 /nfs/dbraw/zinc/10/98/24/823109824.db2.gz MLXJPYSFJHDQBS-UHFFFAOYSA-N 0 0 388.439 4.372 20 30 GIEDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCCc1cccc(C#N)c1 ZINC000570948735 823110997 /nfs/dbraw/zinc/11/09/97/823110997.db2.gz QHDKOPWBWFVLGV-UHFFFAOYSA-N 0 0 399.454 4.116 20 30 GIEDRN Cc1ccc(-c2noc([C@@H](C)SCC(=O)Nc3cccc(C#N)c3)n2)cc1F ZINC000056247077 823111163 /nfs/dbraw/zinc/11/11/63/823111163.db2.gz FQUYQYUTOQKWKQ-CYBMUJFWSA-N 0 0 396.447 4.489 20 30 GIEDRN Cc1sc2ncnc(Sc3ccccc3C(=O)NC[C@H](C)C#N)c2c1C ZINC000176077731 823113973 /nfs/dbraw/zinc/11/39/73/823113973.db2.gz SYRARARYGOEYGV-LLVKDONJSA-N 0 0 382.514 4.349 20 30 GIEDRN C=CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)cc1 ZINC000570951329 823111591 /nfs/dbraw/zinc/11/15/91/823111591.db2.gz ZVVWDVRCMIDWFF-OAHLLOKOSA-N 0 0 384.501 4.007 20 30 GIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)ccc2SC)c1 ZINC000121066333 823112025 /nfs/dbraw/zinc/11/20/25/823112025.db2.gz NJBJCAVKQJJENT-UHFFFAOYSA-N 0 0 376.865 4.204 20 30 GIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000121067712 823112193 /nfs/dbraw/zinc/11/21/93/823112193.db2.gz MBBVIGGLSVXLMV-UHFFFAOYSA-N 0 0 399.878 4.082 20 30 GIEDRN CCc1nc([C@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000176070226 823112294 /nfs/dbraw/zinc/11/22/94/823112294.db2.gz SVLCTMFTKGVVFU-LBPRGKRZSA-N 0 0 381.423 4.136 20 30 GIEDRN C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(CCC#N)CC1 ZINC000570964006 823112694 /nfs/dbraw/zinc/11/26/94/823112694.db2.gz BHSBDYWRVHXFNX-UHFFFAOYSA-N 0 0 379.508 4.262 20 30 GIEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)O[C@H](C#N)C1CC1 ZINC000176073519 823112805 /nfs/dbraw/zinc/11/28/05/823112805.db2.gz BATCGLRUXMISAE-QGZVFWFLSA-N 0 0 378.259 4.184 20 30 GIEDRN CC[C@](C)(NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nc(C)cs1 ZINC000176072447 823112911 /nfs/dbraw/zinc/11/29/11/823112911.db2.gz CAUNSFOQONKDRQ-KRWDZBQOSA-N 0 0 380.420 4.372 20 30 GIEDRN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000187688331 823113122 /nfs/dbraw/zinc/11/31/22/823113122.db2.gz DLQACOJJWRORFN-DIFFPNOSSA-N 0 0 376.790 4.092 20 30 GIEDRN C=CC(C)(C)CNC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC000458989783 823113527 /nfs/dbraw/zinc/11/35/27/823113527.db2.gz QHZIDZSENMTDAT-UHFFFAOYSA-N 0 0 395.341 4.352 20 30 GIEDRN C=C(C)CCNC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000458997304 823114375 /nfs/dbraw/zinc/11/43/75/823114375.db2.gz JDKBUJUPGGQIOI-UHFFFAOYSA-N 0 0 388.533 4.486 20 30 GIEDRN C=CCNC(=O)[C@@H](C)SCc1csc(COc2ccc(Cl)cc2)n1 ZINC000056260540 823114704 /nfs/dbraw/zinc/11/47/04/823114704.db2.gz VAQSYINGFNESRI-GFCCVEGCSA-N 0 0 382.938 4.299 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000187716503 823119446 /nfs/dbraw/zinc/11/94/46/823119446.db2.gz BJCHJUSFUZCVTR-UHFFFAOYSA-N 0 0 376.353 4.406 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000187713400 823118577 /nfs/dbraw/zinc/11/85/77/823118577.db2.gz JVHIJPMXXMRATN-HZMBPMFUSA-N 0 0 387.295 4.058 20 30 GIEDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121108309 823120011 /nfs/dbraw/zinc/12/00/11/823120011.db2.gz SFIOSBLDSQKHRG-NSHDSACASA-N 0 0 376.243 4.023 20 30 GIEDRN CN(Cc1nc(-c2cc(Br)cs2)no1)Cc1ccc(C#N)cc1 ZINC000056283820 823120866 /nfs/dbraw/zinc/12/08/66/823120866.db2.gz AVQBLAFGTUTTRN-UHFFFAOYSA-N 0 0 389.278 4.064 20 30 GIEDRN CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000187732329 823121659 /nfs/dbraw/zinc/12/16/59/823121659.db2.gz CSHPTAXGJMEBME-HBMCJLEFSA-N 0 0 393.487 4.234 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000056300777 823123537 /nfs/dbraw/zinc/12/35/37/823123537.db2.gz JYABKLOLHAPZGT-INIZCTEOSA-N 0 0 382.435 4.046 20 30 GIEDRN C=C(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccc(F)c(F)c1 ZINC000187773164 823129953 /nfs/dbraw/zinc/12/99/53/823129953.db2.gz KLQZFXYBFCJRAR-RBZFPXEDSA-N 0 0 387.430 4.157 20 30 GIEDRN C=CCNC(=O)c1ccc(NCc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000571063134 823126665 /nfs/dbraw/zinc/12/66/65/823126665.db2.gz DMZTZJSOYCKRIP-UHFFFAOYSA-N 0 0 388.515 4.385 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000187758706 823126904 /nfs/dbraw/zinc/12/69/04/823126904.db2.gz DNAXDJWEQOSGQW-OTYXRUKQSA-N 0 0 387.295 4.058 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000459096156 823127679 /nfs/dbraw/zinc/12/76/79/823127679.db2.gz ZXIWKCIZOCDWIM-ICSRJNTNSA-N 0 0 376.545 4.003 20 30 GIEDRN CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000571079511 823128843 /nfs/dbraw/zinc/12/88/43/823128843.db2.gz UUTZVXJTMMFSMM-HXUWFJFHSA-N 0 0 397.567 4.170 20 30 GIEDRN N#Cc1ccc(CNC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1F ZINC000459111378 823129318 /nfs/dbraw/zinc/12/93/18/823129318.db2.gz GBTSEUMPPRYDPH-SFHVURJKSA-N 0 0 397.841 4.274 20 30 GIEDRN C=CCOc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000056337492 823130360 /nfs/dbraw/zinc/13/03/60/823130360.db2.gz NKBGZYXVZXGPLX-INIZCTEOSA-N 0 0 397.450 4.273 20 30 GIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459130478 823132230 /nfs/dbraw/zinc/13/22/30/823132230.db2.gz VKYDNFGNRJIMOQ-FQEVSTJZSA-N 0 0 391.450 4.114 20 30 GIEDRN C=CCn1c(-c2cccnc2)nn(CN(CC2CCC2)CC(F)(F)F)c1=S ZINC000176146302 823135264 /nfs/dbraw/zinc/13/52/64/823135264.db2.gz RUJCHOMVPHBBGS-UHFFFAOYSA-N 0 0 397.470 4.284 20 30 GIEDRN CC(=O)N(c1nc(CNCC2(C#N)CC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000571143168 823140254 /nfs/dbraw/zinc/14/02/54/823140254.db2.gz KWQNMUSUTCRQBX-UHFFFAOYSA-N 0 0 394.422 4.240 20 30 GIEDRN C=CCC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000459194004 823141520 /nfs/dbraw/zinc/14/15/20/823141520.db2.gz NOMHXXQLOBLSRB-MJGOQNOKSA-N 0 0 395.528 4.206 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@]3(CCSC3)C2)cc1 ZINC000571166688 823143192 /nfs/dbraw/zinc/14/31/92/823143192.db2.gz HOZZZSQFLWDRQT-NRFANRHFSA-N 0 0 396.537 4.058 20 30 GIEDRN CCN(C[C@@H](C)C#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000056411846 823145951 /nfs/dbraw/zinc/14/59/51/823145951.db2.gz UEJSRXJYEGXNDC-LBPRGKRZSA-N 0 0 393.318 4.347 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 ZINC000571189812 823145972 /nfs/dbraw/zinc/14/59/72/823145972.db2.gz WULLYLJRTZAKBD-GFCCVEGCSA-N 0 0 381.402 4.461 20 30 GIEDRN C=CCN(CCOC)C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000459188767 823140597 /nfs/dbraw/zinc/14/05/97/823140597.db2.gz KYHYVFQKNYMNCL-LJQANCHMSA-N 0 0 395.528 4.424 20 30 GIEDRN C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000121246351 823146588 /nfs/dbraw/zinc/14/65/88/823146588.db2.gz FHEGGTZBGUOCQF-BEFAXECRSA-N 0 0 397.450 4.044 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cn3ccnc3s2)cc1 ZINC000187875789 823151203 /nfs/dbraw/zinc/15/12/03/823151203.db2.gz GBHGNLSKGKPZLC-UHFFFAOYSA-N 0 0 390.424 4.321 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1cc(Br)ccc1Br ZINC000459241757 823150345 /nfs/dbraw/zinc/15/03/45/823150345.db2.gz XMRGRWOHOIOSHQ-UHFFFAOYSA-N 0 0 389.091 4.273 20 30 GIEDRN Cc1ncsc1-c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C1CC1 ZINC000571220170 823150731 /nfs/dbraw/zinc/15/07/31/823150731.db2.gz MIGAFNVBFFIGLZ-UHFFFAOYSA-N 0 0 376.489 4.086 20 30 GIEDRN Cc1nc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)sc1SCC#N ZINC000121290511 823156298 /nfs/dbraw/zinc/15/62/98/823156298.db2.gz BJDZGLRAESEFGO-INIZCTEOSA-N 0 0 386.546 4.060 20 30 GIEDRN Cc1cc(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nn1C1CCCCC1 ZINC000571252910 823156299 /nfs/dbraw/zinc/15/62/99/823156299.db2.gz IXONWHZSCANMHC-CQSZACIVSA-N 0 0 385.899 4.083 20 30 GIEDRN Cc1[nH]nc2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3C)cc12 ZINC000056470327 823156674 /nfs/dbraw/zinc/15/66/74/823156674.db2.gz WXICKMSVKDFNJI-UHFFFAOYSA-N 0 0 383.411 4.491 20 30 GIEDRN C=CC[C@@]1(C(=O)N[C@H](CC)c2nccs2)CCCN1C(=O)OC(C)(C)C ZINC000187893607 823153577 /nfs/dbraw/zinc/15/35/77/823153577.db2.gz YJKDFWSONDIEKE-KUHUBIRLSA-N 0 0 379.526 4.056 20 30 GIEDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)NCC(C)(C)CC#N ZINC000459263914 823153712 /nfs/dbraw/zinc/15/37/12/823153712.db2.gz YAKOQUAXOYUXID-UHFFFAOYSA-N 0 0 389.887 4.251 20 30 GIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3cccc4ccccc43)CC2)o1 ZINC000187906792 823156467 /nfs/dbraw/zinc/15/64/67/823156467.db2.gz MRTBGSZWBOWGMJ-HNNXBMFYSA-N 0 0 388.471 4.102 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000056469574 823156483 /nfs/dbraw/zinc/15/64/83/823156483.db2.gz DJAOTFJXKLNDEA-UHFFFAOYSA-N 0 0 388.383 4.402 20 30 GIEDRN CCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000176216790 823154962 /nfs/dbraw/zinc/15/49/62/823154962.db2.gz ZZNGZZKSIVINHP-MRXNPFEDSA-N 0 0 382.485 4.161 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000056475932 823157242 /nfs/dbraw/zinc/15/72/42/823157242.db2.gz ORIFYHFYQNEYCH-UHFFFAOYSA-N 0 0 389.411 4.363 20 30 GIEDRN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 ZINC000121303195 823159237 /nfs/dbraw/zinc/15/92/37/823159237.db2.gz OCSZZLRCIKEKKV-OAQYLSRUSA-N 0 0 399.450 4.184 20 30 GIEDRN Cn1c(CC(F)(F)F)nnc1N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571283661 823160350 /nfs/dbraw/zinc/16/03/50/823160350.db2.gz XARYNSHXINTYGP-AWEZNQCLSA-N 0 0 396.310 4.014 20 30 GIEDRN C=C[C@@H](CC(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O)c1ccccc1 ZINC000121314769 823161573 /nfs/dbraw/zinc/16/15/73/823161573.db2.gz WAATVSLJFSBDMV-KRWDZBQOSA-N 0 0 377.488 4.074 20 30 GIEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2oc3c(cccc3C)c2C)cc1OC ZINC000121347403 823167759 /nfs/dbraw/zinc/16/77/59/823167759.db2.gz FQZOEYUAUYSAKX-INIZCTEOSA-N 0 0 392.411 4.028 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000056555415 823168549 /nfs/dbraw/zinc/16/85/49/823168549.db2.gz AJUTWXDUJZKODN-SFHVURJKSA-N 0 0 377.488 4.426 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N(C)C[C@H](C)C#N ZINC000571347598 823168915 /nfs/dbraw/zinc/16/89/15/823168915.db2.gz KBXJEFOJPYSKDK-QGZVFWFLSA-N 0 0 391.475 4.289 20 30 GIEDRN Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC000571349038 823168950 /nfs/dbraw/zinc/16/89/50/823168950.db2.gz ZJQIHFODIIVCSF-HNNXBMFYSA-N 0 0 397.544 4.254 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000188000840 823169732 /nfs/dbraw/zinc/16/97/32/823169732.db2.gz CDFFKSJFRYCJRH-UHFFFAOYSA-N 0 0 394.515 4.021 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000056562640 823170669 /nfs/dbraw/zinc/17/06/69/823170669.db2.gz VRNSBGMHSBHHPS-UHFFFAOYSA-N 0 0 395.503 4.397 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000056574313 823172852 /nfs/dbraw/zinc/17/28/52/823172852.db2.gz NRYWKBQHKAQGSN-UHFFFAOYSA-N 0 0 379.460 4.042 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(OCCOC)cc1 ZINC000188020800 823173102 /nfs/dbraw/zinc/17/31/02/823173102.db2.gz FDBSEZRJHKZSFZ-UHFFFAOYSA-N 0 0 396.487 4.141 20 30 GIEDRN C=C(C)CN(CC)c1nnc(COc2ccccc2OC)n1Cc1ccccc1 ZINC000571371615 823173262 /nfs/dbraw/zinc/17/32/62/823173262.db2.gz RKEOXDXJYJWNOB-UHFFFAOYSA-N 0 0 392.503 4.316 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H](c1cccs1)C1(CO)CCC1 ZINC000459365755 823173803 /nfs/dbraw/zinc/17/38/03/823173803.db2.gz UXKIJPWRWAKVET-GOSISDBHSA-N 0 0 385.489 4.044 20 30 GIEDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCC#Cc4ccccc4)CC3)c2c1 ZINC000056595741 823177269 /nfs/dbraw/zinc/17/72/69/823177269.db2.gz ATFHTSBREIFMTP-UHFFFAOYSA-N 0 0 387.483 4.117 20 30 GIEDRN C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](CC)CC2)nnc1-c1ccco1 ZINC000121390270 823175828 /nfs/dbraw/zinc/17/58/28/823175828.db2.gz HHYWZOPERWXOSI-MRXNPFEDSA-N 0 0 388.537 4.245 20 30 GIEDRN Cc1ccc(CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C(C)C)s1 ZINC000121394068 823176708 /nfs/dbraw/zinc/17/67/08/823176708.db2.gz ZEXOVRJBHHTWNX-UHFFFAOYSA-N 0 0 383.517 4.233 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000188066691 823181014 /nfs/dbraw/zinc/18/10/14/823181014.db2.gz HVPYPNZVFLBNIB-SFHVURJKSA-N 0 0 388.508 4.113 20 30 GIEDRN COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cccc(C#N)c4)CC3)c2c1 ZINC000056622283 823183417 /nfs/dbraw/zinc/18/34/17/823183417.db2.gz QFMKWGCMOFWPBR-UHFFFAOYSA-N 0 0 388.471 4.137 20 30 GIEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 ZINC000121427692 823182427 /nfs/dbraw/zinc/18/24/27/823182427.db2.gz MAAPEIQWFDARMA-UHFFFAOYSA-N 0 0 398.831 4.419 20 30 GIEDRN C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000188077366 823182917 /nfs/dbraw/zinc/18/29/17/823182917.db2.gz GFGFLPKSLWPZDZ-IBGZPJMESA-N 0 0 380.444 4.085 20 30 GIEDRN N#CCOc1cccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000056627486 823185172 /nfs/dbraw/zinc/18/51/72/823185172.db2.gz FIZUSSANNHFUCZ-UHFFFAOYSA-N 0 0 392.459 4.039 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]cc1-c1ccc(C)s1 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COCCCn1c(S[C@@H](C)c2cccc(C#N)c2)nc2ccccc2c1=O ZINC000189769772 823491258 /nfs/dbraw/zinc/49/12/58/823491258.db2.gz QHVZWBQKEAAYIF-HNNXBMFYSA-N 0 0 379.485 4.158 20 30 GIEDRN CCCc1nc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1ccccc1Cl ZINC000177576818 823495212 /nfs/dbraw/zinc/49/52/12/823495212.db2.gz CAULZONIUUVKJV-UHFFFAOYSA-N 0 0 383.814 4.136 20 30 GIEDRN C=CCn1c(SCC(=O)c2cnn(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000123316430 823495257 /nfs/dbraw/zinc/49/52/57/823495257.db2.gz ZBSYQVOCLQKMQL-UHFFFAOYSA-N 0 0 395.532 4.137 20 30 GIEDRN C=CCn1c(SCc2nccn2C(F)F)nnc1-c1ccc(OC)cc1 ZINC000030687797 820666004 /nfs/dbraw/zinc/66/60/04/820666004.db2.gz JQHZJNGLCKHVHB-UHFFFAOYSA-N 0 0 377.420 4.024 20 30 GIEDRN CO[C@@H]1COCC[C@H]1CC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1C#N ZINC000410450315 823496572 /nfs/dbraw/zinc/49/65/72/823496572.db2.gz UEPXPSGJGXOKJL-LAUBAEHRSA-N 0 0 398.890 4.186 20 30 GIEDRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000410461078 823497287 /nfs/dbraw/zinc/49/72/87/823497287.db2.gz ZYSQIDKCVMMPJD-WBVHZDCISA-N 0 0 389.565 4.454 20 30 GIEDRN CCCCCC(C)(C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000177591588 823497728 /nfs/dbraw/zinc/49/77/28/823497728.db2.gz UPCJHOHPHSTZHT-UHFFFAOYSA-N 0 0 399.514 4.121 20 30 GIEDRN N#Cc1cc(F)ccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000177593668 823498144 /nfs/dbraw/zinc/49/81/44/823498144.db2.gz MSKMKROUAKDELI-UHFFFAOYSA-N 0 0 380.400 4.449 20 30 GIEDRN Cc1cccc2nc(C3CCN([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)oc21 ZINC000189808264 823498609 /nfs/dbraw/zinc/49/86/09/823498609.db2.gz HZBXLGKQRJTPAF-MRXNPFEDSA-N 0 0 388.471 4.215 20 30 GIEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(F)c(CSC)c1 ZINC000177600324 823499050 /nfs/dbraw/zinc/49/90/50/823499050.db2.gz ITBURTUKYWEAIH-HNNXBMFYSA-N 0 0 386.448 4.049 20 30 GIEDRN C[C@@H]1CSc2ccccc2N(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000410612804 823506346 /nfs/dbraw/zinc/50/63/46/823506346.db2.gz AVIMGTGSPVPFES-NSHDSACASA-N 0 0 377.391 4.361 20 30 GIEDRN N#Cc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c(Cl)c1 ZINC000410588887 823505571 /nfs/dbraw/zinc/50/55/71/823505571.db2.gz KNNAVYMWBCRIMF-UHFFFAOYSA-N 0 0 392.242 4.070 20 30 GIEDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N(CCC#N)CC(F)(F)F ZINC000177614604 823501761 /nfs/dbraw/zinc/50/17/61/823501761.db2.gz VYALOAAXJAOPJC-JTQLQIEISA-N 0 0 395.244 4.234 20 30 GIEDRN CCOc1ccc(-c2nc(C(=O)N(CCC#N)CC(F)(F)F)cs2)cc1 ZINC000177616458 823501958 /nfs/dbraw/zinc/50/19/58/823501958.db2.gz RWXBXTDTJSFHKG-UHFFFAOYSA-N 0 0 383.395 4.127 20 30 GIEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000177617036 823502027 /nfs/dbraw/zinc/50/20/27/823502027.db2.gz FRZSPXZMVGRJHA-UHFFFAOYSA-N 0 0 391.180 4.097 20 30 GIEDRN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)c1cccc(C#N)c1 ZINC000189821698 823502115 /nfs/dbraw/zinc/50/21/15/823502115.db2.gz YTSOSVATFICJEG-MRXNPFEDSA-N 0 0 390.512 4.187 20 30 GIEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)CCC(C)C ZINC000031272563 820784444 /nfs/dbraw/zinc/78/44/44/820784444.db2.gz JEYSXZTYGFPMDQ-ZDUSSCGKSA-N 0 0 397.313 4.039 20 30 GIEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000123373685 823502658 /nfs/dbraw/zinc/50/26/58/823502658.db2.gz ZOHGFZUJDDNCPA-UHFFFAOYSA-N 0 0 396.516 4.206 20 30 GIEDRN COc1cccc(N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)c1 ZINC000031386978 820801652 /nfs/dbraw/zinc/80/16/52/820801652.db2.gz MRNUKLGOBQVUDC-UHFFFAOYSA-N 0 0 397.478 4.196 20 30 GIEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000123402775 823506038 /nfs/dbraw/zinc/50/60/38/823506038.db2.gz AXIKWEBLZGVDAE-UHFFFAOYSA-N 0 0 385.439 4.156 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1C(F)(F)F ZINC000177626456 823503618 /nfs/dbraw/zinc/50/36/18/823503618.db2.gz CLNLGZZXKAOVEM-AWEZNQCLSA-N 0 0 386.420 4.164 20 30 GIEDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000031433767 820810625 /nfs/dbraw/zinc/81/06/25/820810625.db2.gz FDGWCPXZCMTATG-HNNXBMFYSA-N 0 0 397.482 4.181 20 30 GIEDRN Cc1sc2nc(C)nc(SCC(=O)N[C@H](C)c3ccc(C#N)cc3)c2c1C ZINC000031433229 820810643 /nfs/dbraw/zinc/81/06/43/820810643.db2.gz VEDANBKVYIKKOQ-GFCCVEGCSA-N 0 0 396.541 4.458 20 30 GIEDRN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c12 ZINC000031433530 820810650 /nfs/dbraw/zinc/81/06/50/820810650.db2.gz DXKGIIHLWMKDLH-OAHLLOKOSA-N 0 0 395.466 4.306 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000123410507 823506791 /nfs/dbraw/zinc/50/67/91/823506791.db2.gz ZIEQHSXLEVGURK-UHFFFAOYSA-N 0 0 375.476 4.245 20 30 GIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCc2cc(Cl)ccc2C1 ZINC000460769413 823507447 /nfs/dbraw/zinc/50/74/47/823507447.db2.gz IXQCMYWEYKTDFY-UHFFFAOYSA-N 0 0 379.895 4.441 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)cc1 ZINC000031535055 820822623 /nfs/dbraw/zinc/82/26/23/820822623.db2.gz JSOIZRFAIYTDOX-UHFFFAOYSA-N 0 0 375.453 4.053 20 30 GIEDRN CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccccc2C(F)(F)F)c1 ZINC000060094262 823507919 /nfs/dbraw/zinc/50/79/19/823507919.db2.gz MGMORXFJQJGMRV-ZHACJKMWSA-N 0 0 377.362 4.069 20 30 GIEDRN C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC000460773271 823508243 /nfs/dbraw/zinc/50/82/43/823508243.db2.gz UDDIPXGRNUUAMH-HKUYNNGSSA-N 0 0 378.476 4.415 20 30 GIEDRN C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N ZINC000460773907 823508366 /nfs/dbraw/zinc/50/83/66/823508366.db2.gz WBMXPCVEJWYCDS-LBPRGKRZSA-N 0 0 392.276 4.161 20 30 GIEDRN C=CC[C@@H]1N(c2nnc([C@@H](C)OCCOC)n2CC(=C)C)CCCC1(C)C ZINC000460774625 823508530 /nfs/dbraw/zinc/50/85/30/823508530.db2.gz OLJCYTLBRVSTSZ-MSOLQXFVSA-N 0 0 376.545 4.149 20 30 GIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N1CCO[C@@H](C)[C@H]1C ZINC000460775722 823509003 /nfs/dbraw/zinc/50/90/03/823509003.db2.gz AFZAYKAAONLHEH-MSOLQXFVSA-N 0 0 376.504 4.212 20 30 GIEDRN N#Cc1cc(C(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cnc1C(F)(F)F ZINC000410689310 823509209 /nfs/dbraw/zinc/50/92/09/823509209.db2.gz PPYGCPJTRVQCLI-MRXNPFEDSA-N 0 0 399.294 4.106 20 30 GIEDRN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000410691293 823509228 /nfs/dbraw/zinc/50/92/28/823509228.db2.gz VENNHDVPQFELQP-RDBSUJKOSA-N 0 0 381.316 4.358 20 30 GIEDRN C=CCCCCCN(C)C(=O)C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000123448872 823509873 /nfs/dbraw/zinc/50/98/73/823509873.db2.gz SJSQRICRULZHIA-UHFFFAOYSA-N 0 0 387.524 4.123 20 30 GIEDRN CCOc1ccc(N(CCC#N)C(=O)COc2ccccc2C(F)(F)F)cc1 ZINC000031789501 820859837 /nfs/dbraw/zinc/85/98/37/820859837.db2.gz CTRMIDYDPRFDRT-UHFFFAOYSA-N 0 0 392.377 4.430 20 30 GIEDRN C=CCc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc(OC)c1OC ZINC000031802120 820862462 /nfs/dbraw/zinc/86/24/62/820862462.db2.gz QAGFYAVSWMZERS-UHFFFAOYSA-N 0 0 389.455 4.450 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(-c2cnn(C)c2)n1CC(=C)C ZINC000460779691 823510318 /nfs/dbraw/zinc/51/03/18/823510318.db2.gz AGKFMKUNJVGSMY-UHFFFAOYSA-N 0 0 388.928 4.162 20 30 GIEDRN C=CCn1c(SCc2nnc(C(C)(C)C)o2)nnc1-c1ccccc1OC ZINC000031843667 820867146 /nfs/dbraw/zinc/86/71/46/820867146.db2.gz URPILLMFABITKS-UHFFFAOYSA-N 0 0 385.493 4.113 20 30 GIEDRN Cc1nc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC000031892376 820871116 /nfs/dbraw/zinc/87/11/16/820871116.db2.gz VHWCOJYUUXAIPG-UHFFFAOYSA-N 0 0 386.242 4.066 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000177666053 823510808 /nfs/dbraw/zinc/51/08/08/823510808.db2.gz HEUMDYCIBZOQLZ-UHFFFAOYSA-N 0 0 394.434 4.248 20 30 GIEDRN C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CCCO)CC1 ZINC000460781708 823510845 /nfs/dbraw/zinc/51/08/45/823510845.db2.gz JYOCUCTUDSTNKY-UHFFFAOYSA-N 0 0 398.551 4.039 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000410726143 823511225 /nfs/dbraw/zinc/51/12/25/823511225.db2.gz SIYMAWFJEBHNSF-UHFFFAOYSA-N 0 0 389.297 4.179 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000460782757 823511251 /nfs/dbraw/zinc/51/12/51/823511251.db2.gz WRGHCEYZPLLGNI-QGZVKYPTSA-N 0 0 398.576 4.430 20 30 GIEDRN CO[C@@H](C)c1nc(CO/N=C/c2c(C)nn(Cc3ccccc3)c2C)cs1 ZINC000177677630 823512405 /nfs/dbraw/zinc/51/24/05/823512405.db2.gz PNEOMLRBHRBRDP-CTJICSLTSA-N 0 0 384.505 4.263 20 30 GIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000460785116 823511659 /nfs/dbraw/zinc/51/16/59/823511659.db2.gz VAUITKZFMZGWKJ-HZMVEIRTSA-N 0 0 388.487 4.135 20 30 GIEDRN COc1ccccc1-c1csc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)n1 ZINC000031991480 820886731 /nfs/dbraw/zinc/88/67/31/820886731.db2.gz MRZNAFDKAZFFTQ-CYBMUJFWSA-N 0 0 379.441 4.096 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000189910370 823512761 /nfs/dbraw/zinc/51/27/61/823512761.db2.gz YGZFAUOGSVZRSL-UHFFFAOYSA-N 0 0 386.446 4.184 20 30 GIEDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(C)c1 ZINC000123480027 823513313 /nfs/dbraw/zinc/51/33/13/823513313.db2.gz REENXXLBBBVGQZ-INIZCTEOSA-N 0 0 382.464 4.064 20 30 GIEDRN CNC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000032166234 820900661 /nfs/dbraw/zinc/90/06/61/820900661.db2.gz CNKLWDJIYGIBMA-UHFFFAOYSA-N 0 0 399.450 4.058 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCOC2)nnc1N(CCc1ccccc1)C1CCCC1 ZINC000460806751 823517775 /nfs/dbraw/zinc/51/77/75/823517775.db2.gz XNJCFKKIWPLSAI-FQEVSTJZSA-N 0 0 380.536 4.350 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000460794256 823514183 /nfs/dbraw/zinc/51/41/83/823514183.db2.gz OIHILJWWZZEHFZ-LJQANCHMSA-N 0 0 377.492 4.035 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000032288821 820908515 /nfs/dbraw/zinc/90/85/15/820908515.db2.gz WSBQIGQZFXOGLR-QGZVFWFLSA-N 0 0 397.434 4.415 20 30 GIEDRN Cc1cc2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)c(C)n2n1 ZINC000032290305 820908540 /nfs/dbraw/zinc/90/85/40/820908540.db2.gz SCFSLDWAZWOKHR-UHFFFAOYSA-N 0 0 397.438 4.049 20 30 GIEDRN Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000032289996 820908584 /nfs/dbraw/zinc/90/85/84/820908584.db2.gz SRIVEHBFKUQNFH-UHFFFAOYSA-N 0 0 388.471 4.059 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000460794255 823514256 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GIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000042188631 821281624 /nfs/dbraw/zinc/28/16/24/821281624.db2.gz MVIBPEMRWKNOJP-OAHLLOKOSA-N 0 0 397.500 4.081 20 30 GIEDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000042188625 821281706 /nfs/dbraw/zinc/28/17/06/821281706.db2.gz ZLCFWYNVQCZZFU-AWEZNQCLSA-N 0 0 385.464 4.212 20 30 GIEDRN N#CCc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000042214739 821285711 /nfs/dbraw/zinc/28/57/11/821285711.db2.gz BODNYBJQHUOMOK-UHFFFAOYSA-N 0 0 378.501 4.324 20 30 GIEDRN COc1ccc(-c2csc(NC(=O)c3cccc(CC#N)c3)n2)cc1OC ZINC000042215481 821286132 /nfs/dbraw/zinc/28/61/32/821286132.db2.gz VJXYSFHRZIDRCW-UHFFFAOYSA-N 0 0 379.441 4.146 20 30 GIEDRN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000042218802 821287422 /nfs/dbraw/zinc/28/74/22/821287422.db2.gz YNVIVSNGNAUUFS-UHFFFAOYSA-N 0 0 386.835 4.221 20 30 GIEDRN C[C@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)cc1 ZINC000042890210 821342149 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C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000180684018 821394251 /nfs/dbraw/zinc/39/42/51/821394251.db2.gz VLDVSWQFOWIQPP-UHFFFAOYSA-N 0 0 393.418 4.139 20 30 GIEDRN O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(F)(F)F ZINC000180696365 821399690 /nfs/dbraw/zinc/39/96/90/821399690.db2.gz MVIRJMZXEPAXBL-UHFFFAOYSA-N 0 0 391.239 4.202 20 30 GIEDRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000043484240 821413583 /nfs/dbraw/zinc/41/35/83/821413583.db2.gz ZWBIFAKAMGOZDP-HXUWFJFHSA-N 0 0 395.462 4.011 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000043769982 821455238 /nfs/dbraw/zinc/45/52/38/821455238.db2.gz SSZFZSVDVSHUGC-UHFFFAOYSA-N 0 0 388.899 4.426 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)cc1OC ZINC000180785907 821456501 /nfs/dbraw/zinc/45/65/01/821456501.db2.gz QVDKSUJEQTYURP-UHFFFAOYSA-N 0 0 381.350 4.295 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000180786402 821457130 /nfs/dbraw/zinc/45/71/30/821457130.db2.gz OJICGTCZNOKUSP-FQEVSTJZSA-N 0 0 387.430 4.146 20 30 GIEDRN CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000043949283 821493250 /nfs/dbraw/zinc/49/32/50/821493250.db2.gz NRMVJGGRZHTVFH-NSHDSACASA-N 0 0 390.365 4.418 20 30 GIEDRN N#Cc1ccc(CC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC000180862189 821500203 /nfs/dbraw/zinc/50/02/03/821500203.db2.gz OGYMVKITRLKBJF-MRXNPFEDSA-N 0 0 384.304 4.122 20 30 GIEDRN COc1cc(C#N)ccc1OCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000044034272 821508532 /nfs/dbraw/zinc/50/85/32/821508532.db2.gz CJOQGTNLEKQBTK-QFIPXVFZSA-N 0 0 398.462 4.120 20 30 GIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000180891188 821518104 /nfs/dbraw/zinc/51/81/04/821518104.db2.gz BHRJVMLIOKQCBZ-SJLPKXTDSA-N 0 0 386.883 4.420 20 30 GIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000180891229 821518188 /nfs/dbraw/zinc/51/81/88/821518188.db2.gz BHRJVMLIOKQCBZ-AEFFLSMTSA-N 0 0 386.883 4.420 20 30 GIEDRN 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CC[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)noc1C ZINC000182447647 822245766 /nfs/dbraw/zinc/24/57/66/822245766.db2.gz VESBBSRZFXUWIL-CJNGLKHVSA-N 0 0 386.521 4.223 20 30 GIEDRN N#Cc1ccccc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182478771 822258597 /nfs/dbraw/zinc/25/85/97/822258597.db2.gz GRFUPELPIHBAKU-UHFFFAOYSA-N 0 0 386.180 4.367 20 30 GIEDRN N#Cc1ccsc1NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182481871 822259804 /nfs/dbraw/zinc/25/98/04/822259804.db2.gz WUEZTUXESKVAQP-UHFFFAOYSA-N 0 0 392.209 4.429 20 30 GIEDRN CC(C)(C#N)CCC[S@@](=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000177986848 822270264 /nfs/dbraw/zinc/27/02/64/822270264.db2.gz KWSLWUIKNOFLPP-RUZDIDTESA-N 0 0 380.510 4.440 20 30 GIEDRN N#C[C@H](C(=O)CCc1nc(C2CCCC2)no1)c1nc2ccccc2n1C(F)F ZINC000178001150 822277424 /nfs/dbraw/zinc/27/74/24/822277424.db2.gz SVQRAOWSVRWLSX-CYBMUJFWSA-N 0 0 399.401 4.281 20 30 GIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000178035344 822292288 /nfs/dbraw/zinc/29/22/88/822292288.db2.gz 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Cc1nn(-c2ccc(C(=O)O[C@H]3CC[C@H](C#N)C3)cc2)c(C)c1Br ZINC000179947294 822583290 /nfs/dbraw/zinc/58/32/90/822583290.db2.gz UOUPDFCPAYBDFI-BBRMVZONSA-N 0 0 388.265 4.101 20 30 GIEDRN N#Cc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000047501757 822584767 /nfs/dbraw/zinc/58/47/67/822584767.db2.gz FZIYHVNBQOMZNG-NRFANRHFSA-N 0 0 384.414 4.218 20 30 GIEDRN C=CCC1(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CCCC1 ZINC000455074447 822585415 /nfs/dbraw/zinc/58/54/15/822585415.db2.gz NVZKTKMCVARPLB-UHFFFAOYSA-N 0 0 386.464 4.286 20 30 GIEDRN Cc1cc(NCc2nnc(-c3ccc(C#N)cc3)o2)nn1-c1cccc(Cl)c1 ZINC000179976236 822588921 /nfs/dbraw/zinc/58/89/21/822588921.db2.gz XBDLMYIZKMMSMV-UHFFFAOYSA-N 0 0 390.834 4.368 20 30 GIEDRN N#Cc1ccc(N2CCC[C@@H](Nc3cccc(COCC4CC4)c3)C2=O)cc1 ZINC000179979272 822589482 /nfs/dbraw/zinc/58/94/82/822589482.db2.gz KXFOTVOSLJIKGX-JOCHJYFZSA-N 0 0 375.472 4.092 20 30 GIEDRN CCCCN(CC)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)cc1 ZINC000179981483 822590143 /nfs/dbraw/zinc/59/01/43/822590143.db2.gz WIRDVGOUZDHDGL-IBGZPJMESA-N 0 0 393.487 4.283 20 30 GIEDRN C[C@H](C#N)CNC(=O)C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 ZINC000179982702 822590353 /nfs/dbraw/zinc/59/03/53/822590353.db2.gz CNBFWCDKXMIZJK-QGZVFWFLSA-N 0 0 383.451 4.235 20 30 GIEDRN N#Cc1ccc(Cl)cc1NC(=O)CNC1(c2ccc(F)cc2F)CCC1 ZINC000179987681 822591431 /nfs/dbraw/zinc/59/14/31/822591431.db2.gz XKCZXFOZEQNZIU-UHFFFAOYSA-N 0 0 375.806 4.097 20 30 GIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3Cc4ccccc4C3)c2)c1 ZINC000184188853 822593170 /nfs/dbraw/zinc/59/31/70/822593170.db2.gz OFAQLEAUSAISIQ-UHFFFAOYSA-N 0 0 396.450 4.099 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C)(CO)CC1 ZINC000184193887 822594031 /nfs/dbraw/zinc/59/40/31/822594031.db2.gz OCMHOWXTTBCTSB-UHFFFAOYSA-N 0 0 379.460 4.285 20 30 GIEDRN CC(C)(C)OC(=O)CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455131164 822594138 /nfs/dbraw/zinc/59/41/38/822594138.db2.gz CWWBEELILUJFJR-UFYCRDLUSA-N 0 0 399.535 4.101 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCCOC)c1 ZINC000047592016 822595042 /nfs/dbraw/zinc/59/50/42/822595042.db2.gz WQTUVIZVFCVMTL-UHFFFAOYSA-N 0 0 381.476 4.165 20 30 GIEDRN Cc1csc([C@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)n1 ZINC000184221666 822598372 /nfs/dbraw/zinc/59/83/72/822598372.db2.gz FQCQLKIODATNDR-HNNXBMFYSA-N 0 0 393.516 4.020 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455159346 822599096 /nfs/dbraw/zinc/59/90/96/822599096.db2.gz CPLAWUQSAIYDLP-KBPBESRZSA-N 0 0 384.402 4.397 20 30 GIEDRN N#Cc1ccc(CN(Cc2cnc3ccc(Br)cn23)C2CC2)cc1 ZINC000180028698 822600444 /nfs/dbraw/zinc/60/04/44/822600444.db2.gz PYCJGWVLCDLBOB-UHFFFAOYSA-N 0 0 381.277 4.133 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000180033212 822601367 /nfs/dbraw/zinc/60/13/67/822601367.db2.gz UWQRQJSXFVXOJC-HNAYVOBHSA-N 0 0 381.476 4.130 20 30 GIEDRN COc1ccc(CN(C(=O)c2cc(C#N)c[nH]2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000180034291 822601621 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Cc1csc([C@H](C)NCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000184273394 822606996 /nfs/dbraw/zinc/60/69/96/822606996.db2.gz ICEGWGKLVYWLCY-AWEZNQCLSA-N 0 0 376.913 4.011 20 30 GIEDRN CCC[C@H](C)N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783229 822608904 /nfs/dbraw/zinc/60/89/04/822608904.db2.gz WTDBNQSICCACGB-LBPRGKRZSA-N 0 0 375.523 4.354 20 30 GIEDRN N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccccc3F)s2)cc1 ZINC000047782904 822608926 /nfs/dbraw/zinc/60/89/26/822608926.db2.gz WENQZWYWZLBENG-UHFFFAOYSA-N 0 0 399.476 4.163 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000180071004 822609362 /nfs/dbraw/zinc/60/93/62/822609362.db2.gz AYLXFTPDNDYCQN-GDBMZVCRSA-N 0 0 398.438 4.351 20 30 GIEDRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184300622 822610779 /nfs/dbraw/zinc/61/07/79/822610779.db2.gz FZWTUYDXTILMDA-FUHWJXTLSA-N 0 0 378.476 4.240 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000184300086 822610842 /nfs/dbraw/zinc/61/08/42/822610842.db2.gz KEWITBPFJWQTCX-UHFFFAOYSA-N 0 0 391.496 4.272 20 30 GIEDRN CC(C)COc1ccc(CCNC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000184307319 822611839 /nfs/dbraw/zinc/61/18/39/822611839.db2.gz DPOZBOPNOKPEQU-KRWDZBQOSA-N 0 0 381.476 4.376 20 30 GIEDRN CCc1cccc2c(CCNC(=O)Nc3ccccc3O[C@H](C)C#N)c[nH]c21 ZINC000184308073 822612010 /nfs/dbraw/zinc/61/20/10/822612010.db2.gz IJGZBTFPLNUJQX-OAHLLOKOSA-N 0 0 376.460 4.385 20 30 GIEDRN CCOc1cc2c(cc1NC(=O)N[C@H](CCCC#N)c1ccccc1)OCCO2 ZINC000455229427 822613193 /nfs/dbraw/zinc/61/31/93/822613193.db2.gz LHCDMJGJOVGVOZ-QGZVFWFLSA-N 0 0 395.459 4.413 20 30 GIEDRN N#Cc1cc(NC(=O)c2ccc(-c3cnco3)cc2)ccc1OCC(F)(F)F ZINC000047834025 822613520 /nfs/dbraw/zinc/61/35/20/822613520.db2.gz ABHJGOBTSJCKQW-UHFFFAOYSA-N 0 0 387.317 4.407 20 30 GIEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)NCC3(C4CCC4)CCC3)ccc21 ZINC000455231838 822613626 /nfs/dbraw/zinc/61/36/26/822613626.db2.gz DFVFZISAHKUGLU-UHFFFAOYSA-N 0 0 394.519 4.361 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000180093616 822613869 /nfs/dbraw/zinc/61/38/69/822613869.db2.gz NZRMFMWQTNBXHJ-KBXCAEBGSA-N 0 0 378.457 4.345 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000455239564 822615205 /nfs/dbraw/zinc/61/52/05/822615205.db2.gz CKRYAEQGNCXNLZ-HXUWFJFHSA-N 0 0 379.460 4.407 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000184325627 822615409 /nfs/dbraw/zinc/61/54/09/822615409.db2.gz VNVZEFKVIPGKKW-AZUAARDMSA-N 0 0 393.487 4.233 20 30 GIEDRN CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000455243430 822616214 /nfs/dbraw/zinc/61/62/14/822616214.db2.gz QPNBPLXNQNEZLB-SJLPKXTDSA-N 0 0 382.508 4.217 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000184330643 822616219 /nfs/dbraw/zinc/61/62/19/822616219.db2.gz YAXUGPCQGGVRND-IEBWSBKVSA-N 0 0 378.476 4.110 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000180109782 822617288 /nfs/dbraw/zinc/61/72/88/822617288.db2.gz PFFAZQCRCOVHAD-IBGZPJMESA-N 0 0 392.547 4.318 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000184338849 822618149 /nfs/dbraw/zinc/61/81/49/822618149.db2.gz ATKXJHWJXLBVKO-QGZVFWFLSA-N 0 0 393.491 4.075 20 30 GIEDRN C[C@H](Oc1ccccc1Br)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000180115158 822618268 /nfs/dbraw/zinc/61/82/68/822618268.db2.gz OGXPGSREXYZBAH-QWHCGFSZSA-N 0 0 394.290 4.204 20 30 GIEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000184338974 822618378 /nfs/dbraw/zinc/61/83/78/822618378.db2.gz XZXBMTTYQKVDNZ-HOTGVXAUSA-N 0 0 394.475 4.284 20 30 GIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000180117673 822618685 /nfs/dbraw/zinc/61/86/85/822618685.db2.gz JZXYELKCRVJCGY-NRFANRHFSA-N 0 0 399.425 4.107 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000184346308 822619579 /nfs/dbraw/zinc/61/95/79/822619579.db2.gz QINBVHAJJUBIMA-CZUORRHYSA-N 0 0 381.457 4.047 20 30 GIEDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 ZINC000184347869 822619785 /nfs/dbraw/zinc/61/97/85/822619785.db2.gz SLUDZTFIHZNDGM-JKSUJKDBSA-N 0 0 389.459 4.354 20 30 GIEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000184348866 822620026 /nfs/dbraw/zinc/62/00/26/822620026.db2.gz NCFQTSWVJXWAPG-CQSZACIVSA-N 0 0 376.453 4.167 20 30 GIEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000184348852 822620044 /nfs/dbraw/zinc/62/00/44/822620044.db2.gz NCFQTSWVJXWAPG-AWEZNQCLSA-N 0 0 376.453 4.167 20 30 GIEDRN Cc1cccc(NC2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)c1 ZINC000184351323 822620706 /nfs/dbraw/zinc/62/07/06/822620706.db2.gz RDPIKNWPBSGSPM-QGZVFWFLSA-N 0 0 378.476 4.394 20 30 GIEDRN Cc1cc(NC(=O)N(CCC#N)Cc2ccccn2)nn1-c1ccccc1Cl ZINC000180140917 822624728 /nfs/dbraw/zinc/62/47/28/822624728.db2.gz MHWAGWQVQCTIBI-UHFFFAOYSA-N 0 0 394.866 4.177 20 30 GIEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000180153312 822628055 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CCc1nccn1[C@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458797851 823087185 /nfs/dbraw/zinc/08/71/85/823087185.db2.gz HBRQTFWHZNLVKY-VQTJNVASSA-N 0 0 379.508 4.227 20 30 GIEDRN N#CCCC[C@H](NC(=O)NC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000458798378 823087054 /nfs/dbraw/zinc/08/70/54/823087054.db2.gz HYXYOBANBAEUPN-SFHVURJKSA-N 0 0 377.444 4.139 20 30 GIEDRN C=CCC[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000187545803 823086138 /nfs/dbraw/zinc/08/61/38/823086138.db2.gz LVWMANLTEVCGET-FQEVSTJZSA-N 0 0 392.499 4.319 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC000458794997 823086390 /nfs/dbraw/zinc/08/63/90/823086390.db2.gz BWBOUALKEMLLOK-VXKWHMMOSA-N 0 0 377.488 4.075 20 30 GIEDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458797284 823087116 /nfs/dbraw/zinc/08/71/16/823087116.db2.gz GEVPCYLHBCWECG-NRSPTQNISA-N 0 0 398.551 4.148 20 30 GIEDRN CN(CC(C)(C)C#N)C(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000458795335 823086553 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CCn1cc(C2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)cn1 ZINC000458802710 823088206 /nfs/dbraw/zinc/08/82/06/823088206.db2.gz PUMMIJNIGJTMCC-OAQYLSRUSA-N 0 0 379.508 4.227 20 30 GIEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000120938672 823089876 /nfs/dbraw/zinc/08/98/76/823089876.db2.gz GETKXIRRFQKQGO-IBGZPJMESA-N 0 0 393.318 4.393 20 30 GIEDRN CC[C@@H](C#N)OC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000175992425 823090596 /nfs/dbraw/zinc/09/05/96/823090596.db2.gz SFMRFKXGSCULGC-INIZCTEOSA-N 0 0 387.233 4.160 20 30 GIEDRN N#CCCC[C@H](NC(=O)N(Cc1ccccc1)CC1(CO)CC1)c1ccccc1 ZINC000458812146 823090591 /nfs/dbraw/zinc/09/05/91/823090591.db2.gz CEAAEQIGXMIAHJ-QFIPXVFZSA-N 0 0 391.515 4.406 20 30 GIEDRN CC(C)c1ncc(Cl)c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)n1 ZINC000120942904 823090721 /nfs/dbraw/zinc/09/07/21/823090721.db2.gz JNKGVACXHPHFAN-UHFFFAOYSA-N 0 0 396.800 4.330 20 30 GIEDRN CC(C)Cn1c(-c2ccoc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000570819995 823091549 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GIEDRN N#CCCC[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000458834417 823094766 /nfs/dbraw/zinc/09/47/66/823094766.db2.gz JIPDQBBECGFALA-GGAORHGYSA-N 0 0 375.472 4.263 20 30 GIEDRN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CCO1 ZINC000120985895 823097886 /nfs/dbraw/zinc/09/78/86/823097886.db2.gz LRKVSVRZFKHTEH-UTKZUKDTSA-N 0 0 378.476 4.078 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000458853566 823097881 /nfs/dbraw/zinc/09/78/81/823097881.db2.gz WRMZKNPPCNKHJA-HKBOAZHASA-N 0 0 381.451 4.078 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000458853568 823097965 /nfs/dbraw/zinc/09/79/65/823097965.db2.gz WRMZKNPPCNKHJA-QHAWAJNXSA-N 0 0 381.451 4.078 20 30 GIEDRN CCOc1cc2c(cc1OCC)CN(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000120975045 823095888 /nfs/dbraw/zinc/09/58/88/823095888.db2.gz FPHCDAADFDLENQ-KRWDZBQOSA-N 0 0 380.488 4.333 20 30 GIEDRN C=CCn1c(COc2ccccc2OC)nnc1N(CC)Cc1cccs1 ZINC000570857033 823096782 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C=C(C)[C@@H](NC(=O)Nc1ccnn1Cc1ccccn1)c1ccc(F)c(F)c1 ZINC000187658305 823106998 /nfs/dbraw/zinc/10/69/98/823106998.db2.gz TVYGZWLDDGEAAR-LJQANCHMSA-N 0 0 383.402 4.044 20 30 GIEDRN N#Cc1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)nc2ccccc12 ZINC000570916659 823107212 /nfs/dbraw/zinc/10/72/12/823107212.db2.gz XZHVSMZWHRNWSA-UHFFFAOYSA-N 0 0 387.830 4.257 20 30 GIEDRN CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000176055309 823108170 /nfs/dbraw/zinc/10/81/70/823108170.db2.gz JIINSXKPSWUXQS-QHCPKHFHSA-N 0 0 397.478 4.030 20 30 GIEDRN CC[C@@H]1COCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000176059381 823109138 /nfs/dbraw/zinc/10/91/38/823109138.db2.gz TUZDUSSPMXIPRC-GOSISDBHSA-N 0 0 399.878 4.433 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000570951799 823111583 /nfs/dbraw/zinc/11/15/83/823111583.db2.gz IXAZIVVBWKUKTI-UHFFFAOYSA-N 0 0 378.428 4.178 20 30 GIEDRN Cn1c(Cc2cccs2)nc2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)ccc21 ZINC000570951739 823111634 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20 30 GIEDRN COc1cc([C@H](C#N)NC(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC ZINC000060375816 823521263 /nfs/dbraw/zinc/52/12/63/823521263.db2.gz JQQLLCUFKUHXIJ-ZDUSSCGKSA-N 0 0 395.242 4.014 20 30 GIEDRN CCc1cnc(CN(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000177760861 823521853 /nfs/dbraw/zinc/52/18/53/823521853.db2.gz DORIFXDDMPTBHH-CQSZACIVSA-N 0 0 388.562 4.170 20 30 GIEDRN O=C(CCOc1cccc(Cl)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032942810 821021026 /nfs/dbraw/zinc/02/10/26/821021026.db2.gz OHGJYWBVJURDEH-UHFFFAOYSA-N 0 0 381.781 4.296 20 30 GIEDRN CC(C)CCC[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000032969742 821023401 /nfs/dbraw/zinc/02/34/01/821023401.db2.gz JFWJRUDQPNUFMV-INIZCTEOSA-N 0 0 398.507 4.354 20 30 GIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000410927259 823522650 /nfs/dbraw/zinc/52/26/50/823522650.db2.gz KBMGJLRDZGVZSS-UHFFFAOYSA-N 0 0 382.489 4.078 20 30 GIEDRN N#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000033096227 821032715 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Cc1cnc(CCCC(=O)Nc2sc3c(c2C#N)-c2ccccc2OC3)o1 ZINC000410978270 823527395 /nfs/dbraw/zinc/52/73/95/823527395.db2.gz CSCQCPHDUAUUNY-UHFFFAOYSA-N 0 0 379.441 4.437 20 30 GIEDRN C[C@@H]1CCc2sc(NC(=O)c3cn(Cc4cccs4)nn3)c(C#N)c2[C@@H]1C ZINC000410991425 823529969 /nfs/dbraw/zinc/52/99/69/823529969.db2.gz YKTWAHSBWPKHMC-VXGBXAGGSA-N 0 0 397.529 4.259 20 30 GIEDRN C[C@H]1Cc2c(C#N)c(NC(=O)C(=O)c3cnn(C(C)(C)C)c3)sc2[C@@H](C)C1 ZINC000410980157 823527760 /nfs/dbraw/zinc/52/77/60/823527760.db2.gz MSYNSOVJPOOPEF-NEPJUHHUSA-N 0 0 384.505 4.078 20 30 GIEDRN C[C@@H]1Cc2c(C#N)c(NC(=O)C(=O)c3cnn(C(C)(C)C)c3)sc2[C@@H](C)C1 ZINC000410980159 823527788 /nfs/dbraw/zinc/52/77/88/823527788.db2.gz MSYNSOVJPOOPEF-RYUDHWBXSA-N 0 0 384.505 4.078 20 30 GIEDRN C[C@H]1Cc2c(C#N)c(NC(=O)c3cc4ccccc4c(=O)n3C)sc2[C@@H](C)C1 ZINC000410980819 823528069 /nfs/dbraw/zinc/52/80/69/823528069.db2.gz NJLZUUFAPAHKDV-OLZOCXBDSA-N 0 0 391.496 4.410 20 30 GIEDRN C[C@H]1Cc2c(C#N)c(NC(=O)CCNC(=O)c3ccsc3)sc2[C@@H](C)C1 ZINC000410981330 823528149 /nfs/dbraw/zinc/52/81/49/823528149.db2.gz NTTFAACTOBQSBC-NEPJUHHUSA-N 0 0 387.530 4.126 20 30 GIEDRN CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)cc1 ZINC000410982285 823528333 /nfs/dbraw/zinc/52/83/33/823528333.db2.gz OZBXMVDFGCVBSO-QWHCGFSZSA-N 0 0 381.501 4.445 20 30 GIEDRN COc1cccc(/C=C2/CN(C(C)C)C/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000034782146 821062812 /nfs/dbraw/zinc/06/28/12/821062812.db2.gz LWZRQFHVPQPEFT-ACXSEBCSSA-N 0 0 377.484 4.464 20 30 GIEDRN C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(OCC)CC2)c1=S ZINC000060445503 823528575 /nfs/dbraw/zinc/52/85/75/823528575.db2.gz FBLZWJULWAVFLV-UHFFFAOYSA-N 0 0 392.956 4.379 20 30 GIEDRN C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1I)OCC ZINC000410991590 823530229 /nfs/dbraw/zinc/53/02/29/823530229.db2.gz QWKIXMQPVCHAOC-CYBMUJFWSA-N 0 0 393.652 4.254 20 30 GIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCc1nccs1)C(C)C ZINC000460851239 823528630 /nfs/dbraw/zinc/52/86/30/823528630.db2.gz RKBRPIUKLHKWFT-UHFFFAOYSA-N 0 0 394.548 4.387 20 30 GIEDRN CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)CCC(=O)c1ccccc1 ZINC000035544420 821065518 /nfs/dbraw/zinc/06/55/18/821065518.db2.gz BBYKUGPRQUWFQU-JCMHNJIXSA-N 0 0 391.467 4.073 20 30 GIEDRN CC(C)Cn1c(CCc2ccco2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460852180 823528759 /nfs/dbraw/zinc/52/87/59/823528759.db2.gz CFKUWNLGLOIFJY-UHFFFAOYSA-N 0 0 389.503 4.353 20 30 GIEDRN COCc1nc(C)c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)s1 ZINC000410986705 823528981 /nfs/dbraw/zinc/52/89/81/823528981.db2.gz PYDBYUHNJJADFO-VHSXEESVSA-N 0 0 375.519 4.469 20 30 GIEDRN COc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)ccc1[N+](=O)[O-] ZINC000410985719 823529061 /nfs/dbraw/zinc/52/90/61/823529061.db2.gz OBNVTZCQNTUCHG-MNOVXSKESA-N 0 0 385.445 4.475 20 30 GIEDRN CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1Cc2ccccc2[C@@H]1C ZINC000460858597 823530113 /nfs/dbraw/zinc/53/01/13/823530113.db2.gz OYULQNBXUOZOFF-KRWDZBQOSA-N 0 0 387.487 4.466 20 30 GIEDRN C[C@@H]1CCc2sc(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)c(C#N)c2[C@H]1C ZINC000410988032 823529359 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GIEDRN CCCN(CCC)C(=O)c1cccc(C(=O)N2CCCc3cc(C#N)ccc32)c1 ZINC000411000876 823531342 /nfs/dbraw/zinc/53/13/42/823531342.db2.gz KOIFBCLUHPJBCG-UHFFFAOYSA-N 0 0 389.499 4.413 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)C3CCN(CC(F)F)CC3)c(C#N)c2[C@@H](C)C1 ZINC000411024685 823535457 /nfs/dbraw/zinc/53/54/57/823535457.db2.gz ZUASIXKYOLNVRV-NEPJUHHUSA-N 0 0 381.492 4.221 20 30 GIEDRN CC(=O)NCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)cc1 ZINC000411004318 823531741 /nfs/dbraw/zinc/53/17/41/823531741.db2.gz CFLYLRHYHNARKV-QGZVFWFLSA-N 0 0 395.528 4.269 20 30 GIEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cncc(C(F)(F)F)c1 ZINC000460864309 823531797 /nfs/dbraw/zinc/53/17/97/823531797.db2.gz NEOBLPXBSMOAEM-UHFFFAOYSA-N 0 0 377.753 4.297 20 30 GIEDRN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 ZINC000411006722 823532009 /nfs/dbraw/zinc/53/20/09/823532009.db2.gz DYBPVARODIHMSB-AJNGGQMLSA-N 0 0 376.522 4.218 20 30 GIEDRN CC(C)(C)c1cc(C#N)c(NC(=O)CCN2C(=O)CCc3ccccc32)s1 ZINC000411007185 823532151 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Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2)cs1 ZINC000046538457 822483710 /nfs/dbraw/zinc/48/37/10/822483710.db2.gz QMTBSLKMOPTXSU-UHFFFAOYSA-N 0 0 384.464 4.494 20 30 GIEDRN COc1ccc(CN(C(=O)NCCCCC#N)[C@H]2CCCC[C@H]2C)cc1OC ZINC000179464618 822486493 /nfs/dbraw/zinc/48/64/93/822486493.db2.gz ZQGZUXWSAVHZEU-MJGOQNOKSA-N 0 0 387.524 4.488 20 30 GIEDRN C[C@@H]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)O1 ZINC000454514520 822488300 /nfs/dbraw/zinc/48/83/00/822488300.db2.gz ROYDPUNFIPREBD-IIBYNOLFSA-N 0 0 379.460 4.021 20 30 GIEDRN CCC(C)(C)OCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000454518068 822489723 /nfs/dbraw/zinc/48/97/23/822489723.db2.gz KCUNBGMBUYTPOG-UHFFFAOYSA-N 0 0 394.475 4.137 20 30 GIEDRN CC[C@](C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)OC ZINC000454533486 822492571 /nfs/dbraw/zinc/49/25/71/822492571.db2.gz WDXDCWNAIMNJPQ-JOCHJYFZSA-N 0 0 381.476 4.268 20 30 GIEDRN CN(CC(C)(C)CO)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000454538024 822493479 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20 30 GIEDRN Cc1cc(N(CCC#N)C(=O)COc2c(F)cccc2[N+](=O)[O-])ccc1Cl ZINC000185029763 822727113 /nfs/dbraw/zinc/72/71/13/822727113.db2.gz MQYZDRRGASACKR-UHFFFAOYSA-N 0 0 391.786 4.021 20 30 GIEDRN C=CC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C ZINC000455805016 822729386 /nfs/dbraw/zinc/72/93/86/822729386.db2.gz WNKRCBLCRJXVQS-MRXNPFEDSA-N 0 0 387.505 4.190 20 30 GIEDRN CCN(C(=O)c1ccc(OCCOC)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000185075183 822733566 /nfs/dbraw/zinc/73/35/66/822733566.db2.gz ANOABQAABCIQCU-HNNXBMFYSA-N 0 0 386.879 4.460 20 30 GIEDRN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000050862947 822740394 /nfs/dbraw/zinc/74/03/94/822740394.db2.gz BSBCRYNVKPYCTM-FYYLOGMGSA-N 0 0 394.540 4.418 20 30 GIEDRN C=CCn1c(SCc2nc(N)c3ccccc3n2)nnc1-c1ccccc1F ZINC000185142855 822742258 /nfs/dbraw/zinc/74/22/58/822742258.db2.gz IKRQTGQRIQIHTH-UHFFFAOYSA-N 0 0 392.463 4.088 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000051034248 822744394 /nfs/dbraw/zinc/74/43/94/822744394.db2.gz NHTLEEFQJBKFJL-UHFFFAOYSA-N 0 0 393.365 4.074 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1 ZINC000051034344 822744445 /nfs/dbraw/zinc/74/44/45/822744445.db2.gz SFGYJDZBWNKDCE-UHFFFAOYSA-N 0 0 379.460 4.376 20 30 GIEDRN Cc1nc(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)sc1SCC#N ZINC000185161678 822744482 /nfs/dbraw/zinc/74/44/82/822744482.db2.gz QZYLGJHJPQUCRS-UWVGGRQHSA-N 0 0 383.420 4.227 20 30 GIEDRN CC[C@H](CC#N)NC(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 ZINC000455902533 822745421 /nfs/dbraw/zinc/74/54/21/822745421.db2.gz BOQXQTQKLSTCLB-LLVKDONJSA-N 0 0 382.411 4.273 20 30 GIEDRN N#CCc1cccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000455912316 822747894 /nfs/dbraw/zinc/74/78/94/822747894.db2.gz XGCTUGGDIQEURC-UHFFFAOYSA-N 0 0 377.366 4.153 20 30 GIEDRN N#CCc1cccc(NC(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000455913260 822748030 /nfs/dbraw/zinc/74/80/30/822748030.db2.gz YWEGIZKAGFIYQK-MSOLQXFVSA-N 0 0 389.377 4.111 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 ZINC000455913612 822748191 /nfs/dbraw/zinc/74/81/91/822748191.db2.gz ZJXNLMBDRGGHLE-LLVKDONJSA-N 0 0 379.386 4.011 20 30 GIEDRN Cc1oc2ccc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)cc2c1C ZINC000185199574 822748540 /nfs/dbraw/zinc/74/85/40/822748540.db2.gz RBZJJDOOUJCNTB-LJQANCHMSA-N 0 0 375.428 4.149 20 30 GIEDRN Cc1nc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)sc1Cc1ccc(F)c(F)c1F ZINC000455916690 822748882 /nfs/dbraw/zinc/74/88/82/822748882.db2.gz OIRWIGXDHLSVSK-DGCLKSJQSA-N 0 0 394.422 4.273 20 30 GIEDRN N#CCc1cccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000455916817 822748904 /nfs/dbraw/zinc/74/89/04/822748904.db2.gz JLIDMSNQOMRGES-UHFFFAOYSA-N 0 0 376.460 4.203 20 30 GIEDRN Cc1nc(NC(=O)NCCCCC#N)sc1Cc1ccc(F)c(F)c1F ZINC000455920047 822749579 /nfs/dbraw/zinc/74/95/79/822749579.db2.gz RYSJCBZYXXXFRL-UHFFFAOYSA-N 0 0 382.411 4.275 20 30 GIEDRN N#CCc1cccc(NC(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000455923479 822750238 /nfs/dbraw/zinc/75/02/38/822750238.db2.gz TZJFPPJJYKAZDT-UHFFFAOYSA-N 0 0 384.277 4.368 20 30 GIEDRN Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc(Cl)s2)c1C ZINC000051233081 822751356 /nfs/dbraw/zinc/75/13/56/822751356.db2.gz KYUHCYLUVZMJRS-UHFFFAOYSA-N 0 0 375.925 4.397 20 30 GIEDRN C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000185226647 822751915 /nfs/dbraw/zinc/75/19/15/822751915.db2.gz GEBFMSWQLSQBNF-HNNXBMFYSA-N 0 0 385.537 4.087 20 30 GIEDRN O=C(CCCOc1ccccc1Br)Nc1n[nH]c(C(F)(F)F)n1 ZINC000051266156 822752923 /nfs/dbraw/zinc/75/29/23/822752923.db2.gz AADTZKNMJXQNBP-UHFFFAOYSA-N 0 0 393.163 4.033 20 30 GIEDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000185236986 822753062 /nfs/dbraw/zinc/75/30/62/822753062.db2.gz UKKAXIVNJPFVSC-CYBMUJFWSA-N 0 0 390.490 4.183 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(NC(=O)N2CCSC[C@@H]2CCO)cc1 ZINC000455942244 822754406 /nfs/dbraw/zinc/75/44/06/822754406.db2.gz KFXGXWCUEPRLFM-KRWDZBQOSA-N 0 0 399.541 4.041 20 30 GIEDRN COc1ccc(S[C@H](C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000051292916 822754815 /nfs/dbraw/zinc/75/48/15/822754815.db2.gz MCNBNIHJJUSFDC-CQSZACIVSA-N 0 0 393.430 4.363 20 30 GIEDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455948686 822756413 /nfs/dbraw/zinc/75/64/13/822756413.db2.gz UVZOISOVPQVBCY-LPHOPBHVSA-N 0 0 381.501 4.334 20 30 GIEDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455950656 822756713 /nfs/dbraw/zinc/75/67/13/822756713.db2.gz YAICNXXRABTISP-GJZGRUSLSA-N 0 0 396.516 4.134 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(NC(=O)NC[C@H]2CCC[C@H](O)C2)cc1 ZINC000455951447 822756885 /nfs/dbraw/zinc/75/68/85/822756885.db2.gz ZOCSCXZEOZVQTP-YJBOKZPZSA-N 0 0 381.501 4.382 20 30 GIEDRN Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000455958508 822757340 /nfs/dbraw/zinc/75/73/40/822757340.db2.gz SEFDHLPWQMGYIT-CYBMUJFWSA-N 0 0 377.370 4.020 20 30 GIEDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC000455981069 822761054 /nfs/dbraw/zinc/76/10/54/822761054.db2.gz GJEIJXPODWEQSL-NRFANRHFSA-N 0 0 379.460 4.088 20 30 GIEDRN C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000455986031 822761951 /nfs/dbraw/zinc/76/19/51/822761951.db2.gz ACDGQIWPONSNFK-GOSISDBHSA-N 0 0 386.499 4.249 20 30 GIEDRN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CCC(O)CC2)cc1 ZINC000455985696 822761985 /nfs/dbraw/zinc/76/19/85/822761985.db2.gz PFLVJDNRPRGNOS-UHFFFAOYSA-N 0 0 387.892 4.351 20 30 GIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000185309423 822763481 /nfs/dbraw/zinc/76/34/81/822763481.db2.gz GIICWASKRUGRCT-UHFFFAOYSA-N 0 0 396.737 4.043 20 30 GIEDRN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)N2CC[C@H](CO)C2)cc1 ZINC000455995160 822763551 /nfs/dbraw/zinc/76/35/51/822763551.db2.gz YFSZPJILBNHESX-ZDUSSCGKSA-N 0 0 387.892 4.209 20 30 GIEDRN C=C(C)COc1cc(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)ccc1OC ZINC000174288958 822763845 /nfs/dbraw/zinc/76/38/45/822763845.db2.gz DKXURRTYYPUSAE-OAQYLSRUSA-N 0 0 396.487 4.380 20 30 GIEDRN N#C[C@@H](C(=O)c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000051534398 822764773 /nfs/dbraw/zinc/76/47/73/822764773.db2.gz BTEFRVJAYUNTRY-KRWDZBQOSA-N 0 0 389.436 4.257 20 30 GIEDRN CC(C)(C)OC(=O)NCCCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000051533928 822764857 /nfs/dbraw/zinc/76/48/57/822764857.db2.gz ZXAXVIWQECWTJM-OAHLLOKOSA-N 0 0 385.489 4.291 20 30 GIEDRN N#Cc1cccc(OC2CCN(C(=O)c3cc(Oc4ccccc4)ccn3)CC2)c1 ZINC000174293448 822765051 /nfs/dbraw/zinc/76/50/51/822765051.db2.gz SNSGTOHKJZWTQB-UHFFFAOYSA-N 0 0 399.450 4.429 20 30 GIEDRN C=CCn1c(Sc2nn3cc(C)nc3s2)nnc1-c1ccc(Cl)cc1 ZINC000051538483 822765449 /nfs/dbraw/zinc/76/54/49/822765449.db2.gz ITNDXIQRDSZFJQ-UHFFFAOYSA-N 0 0 388.909 4.348 20 30 GIEDRN CCN1c2ccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)cc2CCC1=O ZINC000456007320 822765610 /nfs/dbraw/zinc/76/56/10/822765610.db2.gz NJKYEMDKOSTGHO-UHFFFAOYSA-N 0 0 375.472 4.065 20 30 GIEDRN C[C@@H](c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1)C(F)(F)F ZINC000456011905 822766156 /nfs/dbraw/zinc/76/61/56/822766156.db2.gz WSDXGRZHOBHSSE-IFXJQAMLSA-N 0 0 388.389 4.438 20 30 GIEDRN C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000456026521 822768183 /nfs/dbraw/zinc/76/81/83/822768183.db2.gz NAVXCJWXHKJUAO-UHFFFAOYSA-N 0 0 383.513 4.089 20 30 GIEDRN CC(C)OC(=O)[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000174307128 822768288 /nfs/dbraw/zinc/76/82/88/822768288.db2.gz HVPKAMXTJHAPFI-OAHLLOKOSA-N 0 0 382.485 4.027 20 30 GIEDRN C=CCc1cc(CNC(=O)Nc2ccc(OCC)cc2C)cc(OC)c1OC ZINC000051617614 822769169 /nfs/dbraw/zinc/76/91/69/822769169.db2.gz RIBBGPMYNQRTOW-UHFFFAOYSA-N 0 0 384.476 4.461 20 30 GIEDRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000051618559 822769278 /nfs/dbraw/zinc/76/92/78/822769278.db2.gz RYPXKVHYHFOUED-CVEARBPZSA-N 0 0 388.537 4.481 20 30 GIEDRN Cc1cnc([C@@H](N[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1 ZINC000185348497 822769409 /nfs/dbraw/zinc/76/94/09/822769409.db2.gz PGUWJPFPVQWPMP-PXNSSMCTSA-N 0 0 396.560 4.444 20 30 GIEDRN Cc1cnc([C@@H](N[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C2CC2)s1 ZINC000185348482 822769413 /nfs/dbraw/zinc/76/94/13/822769413.db2.gz PGUWJPFPVQWPMP-XLIONFOSSA-N 0 0 396.560 4.444 20 30 GIEDRN N#CC[C@@H]1CC[C@H](NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000456043100 822770019 /nfs/dbraw/zinc/77/00/19/822770019.db2.gz DINTUNDVJKTYMP-ZFWWWQNUSA-N 0 0 389.908 4.117 20 30 GIEDRN CC[C@@H](C)n1c(SCC(=O)N[C@H]2CC[C@@H](CC#N)C2)nnc1-c1ccccc1 ZINC000456042133 822770111 /nfs/dbraw/zinc/77/01/11/822770111.db2.gz CKRURMXLBUJAGI-RYRKJORJSA-N 0 0 397.548 4.207 20 30 GIEDRN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000051643928 822770372 /nfs/dbraw/zinc/77/03/72/822770372.db2.gz WNUNHKWVYSEXIB-OLZOCXBDSA-N 0 0 382.436 4.121 20 30 GIEDRN CCOc1ccc(Cl)c(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000456045434 822770487 /nfs/dbraw/zinc/77/04/87/822770487.db2.gz LJNANIRQGGTOEF-UHFFFAOYSA-N 0 0 385.851 4.358 20 30 GIEDRN N#C[C@H](CCc1ccccc1)C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000456046901 822770871 /nfs/dbraw/zinc/77/08/71/822770871.db2.gz CSYOWWKBGNWYRJ-PKOBYXMFSA-N 0 0 390.405 4.018 20 30 GIEDRN N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000456046899 822770874 /nfs/dbraw/zinc/77/08/74/822770874.db2.gz CSYOWWKBGNWYRJ-IEBWSBKVSA-N 0 0 390.405 4.018 20 30 GIEDRN N#C[C@H](C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc2ccccc2n1C(F)F ZINC000051655948 822771812 /nfs/dbraw/zinc/77/18/12/822771812.db2.gz XNJJPKLCLPHFQH-GFCCVEGCSA-N 0 0 395.325 4.311 20 30 GIEDRN CCCC[C@@H](NCc1ccc(C#N)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000174329259 822772048 /nfs/dbraw/zinc/77/20/48/822772048.db2.gz YZZGNTPIKSQWSO-OAQYLSRUSA-N 0 0 380.492 4.039 20 30 GIEDRN Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000051673290 822773109 /nfs/dbraw/zinc/77/31/09/822773109.db2.gz XZVQNBFWVKCIAT-UHFFFAOYSA-N 0 0 380.517 4.084 20 30 GIEDRN C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000051713072 822776035 /nfs/dbraw/zinc/77/60/35/822776035.db2.gz PCFGMDGMMCXBAM-IIBYNOLFSA-N 0 0 381.451 4.149 20 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C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000062897883 823647454 /nfs/dbraw/zinc/64/74/54/823647454.db2.gz OCWOJJCWCMYNAP-UHFFFAOYSA-N 0 0 375.428 4.143 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000062905538 823647565 /nfs/dbraw/zinc/64/75/65/823647565.db2.gz FCRIEHOCIUEJMG-UHFFFAOYSA-N 0 0 376.847 4.226 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000062905645 823647573 /nfs/dbraw/zinc/64/75/73/823647573.db2.gz WQMHDZSFXYZQSW-UHFFFAOYSA-N 0 0 397.434 4.430 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000062905633 823647596 /nfs/dbraw/zinc/64/75/96/823647596.db2.gz QQJBRGKPOBSZSE-UHFFFAOYSA-N 0 0 387.252 4.217 20 30 GIEDRN N#CCOc1ccccc1C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000125046704 823647806 /nfs/dbraw/zinc/64/78/06/823647806.db2.gz BMHNHFINHISNDR-CQSZACIVSA-N 0 0 391.254 4.189 20 30 GIEDRN C=CC[C@H]1N(c2nnc([C@@H]3CCOC3)n2Cc2cccs2)CCCC1(C)C ZINC000461511646 823651676 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCc2cccc(OC)c2)cc1 ZINC000056300945 823123533 /nfs/dbraw/zinc/12/35/33/823123533.db2.gz QYEDHRRNXMSUMI-UHFFFAOYSA-N 0 0 378.472 4.081 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2CC)cc1 ZINC000056301143 823123768 /nfs/dbraw/zinc/12/37/68/823123768.db2.gz NVWKCXXHNFQMCG-UHFFFAOYSA-N 0 0 394.519 4.267 20 30 GIEDRN C=C(C)[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)c(F)c1 ZINC000187754891 823126279 /nfs/dbraw/zinc/12/62/79/823126279.db2.gz GMFQARAUZWQVLR-LJQANCHMSA-N 0 0 375.375 4.027 20 30 GIEDRN C=C(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187759621 823127110 /nfs/dbraw/zinc/12/71/10/823127110.db2.gz XNYGQFVSFGVYEI-KPZWWZAWSA-N 0 0 375.375 4.107 20 30 GIEDRN N#CC[C@@H](CC(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1ccccc1 ZINC000571067227 823127103 /nfs/dbraw/zinc/12/71/03/823127103.db2.gz CGLOGSNNPCQZMB-VXKWHMMOSA-N 0 0 387.483 4.314 20 30 GIEDRN N#CC[C@@H](CC(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1ccccc1 ZINC000571067223 823127199 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C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571099632 823132085 /nfs/dbraw/zinc/13/20/85/823132085.db2.gz OTNFGVQJGKITCC-NRFANRHFSA-N 0 0 392.503 4.081 20 30 GIEDRN C=C(C)[C@@H](N[C@@H](C(=O)OC)c1cc(OC)cc(OC)c1)c1ccc(F)c(F)c1 ZINC000187784476 823132389 /nfs/dbraw/zinc/13/23/89/823132389.db2.gz JIBXJKPWXURSCE-WOJBJXKFSA-N 0 0 391.414 4.103 20 30 GIEDRN C=C(C)[C@@H](N[C@@H](C)C(=O)N1CCc2sccc2C1)c1ccc(F)c(F)c1 ZINC000187792854 823134222 /nfs/dbraw/zinc/13/42/22/823134222.db2.gz HYROCTZNJIJSCJ-ORAYPTAESA-N 0 0 376.472 4.207 20 30 GIEDRN N#Cc1cccc(F)c1CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000571122161 823135722 /nfs/dbraw/zinc/13/57/22/823135722.db2.gz ZDLCLWHDUKNKES-UHFFFAOYSA-N 0 0 394.837 4.206 20 30 GIEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000176157054 823138981 /nfs/dbraw/zinc/13/89/81/823138981.db2.gz WWZQXPPOEAYDQF-RUZDIDTESA-N 0 0 398.510 4.043 20 30 GIEDRN CC[C@@H](c1ccncc1)N(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176167578 823141595 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O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000121250835 823147821 /nfs/dbraw/zinc/14/78/21/823147821.db2.gz AVUWTEROOOHMBD-JTHBVZDNSA-N 0 0 392.524 4.263 20 30 GIEDRN Cc1cccc(NC(=O)C2=C(C)N(C)C(=S)N[C@@H]2c2cc(C#N)cs2)c1C ZINC000176185317 823147911 /nfs/dbraw/zinc/14/79/11/823147911.db2.gz KXYCVPRHGGYREO-GOSISDBHSA-N 0 0 396.541 4.010 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N(Cc1cccc(Br)c1)CC1CC1 ZINC000459230973 823148894 /nfs/dbraw/zinc/14/88/94/823148894.db2.gz GMPBIANHWJYSAI-UHFFFAOYSA-N 0 0 378.314 4.311 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000459248336 823151297 /nfs/dbraw/zinc/15/12/97/823151297.db2.gz XTXSDTOUHVZFTE-UHFFFAOYSA-N 0 0 378.314 4.278 20 30 GIEDRN CCOc1ccccc1N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000121269888 823152341 /nfs/dbraw/zinc/15/23/41/823152341.db2.gz XVTIBQFVWBNEEX-UHFFFAOYSA-N 0 0 376.412 4.406 20 30 GIEDRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000459288054 823156844 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C[C@@H](NC(=O)CCOCC(F)(F)C(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000187925733 823159012 /nfs/dbraw/zinc/15/90/12/823159012.db2.gz MIOYPIWHPQSWMG-SECBINFHSA-N 0 0 391.283 4.070 20 30 GIEDRN Cc1coc2ccc(NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc12 ZINC000187934032 823160131 /nfs/dbraw/zinc/16/01/31/823160131.db2.gz ARQRYINPEHCQKO-UHFFFAOYSA-N 0 0 378.407 4.106 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cn(-c2ccccc2)nn1 ZINC000056470194 823156732 /nfs/dbraw/zinc/15/67/32/823156732.db2.gz RSOVFMUDJALCPZ-UHFFFAOYSA-N 0 0 395.422 4.492 20 30 GIEDRN COCCn1c2ccccc2nc1NCc1cccn1Cc1ccccc1C#N ZINC000187960568 823164256 /nfs/dbraw/zinc/16/42/56/823164256.db2.gz YYKNHXAQABFNHN-UHFFFAOYSA-N 0 0 385.471 4.016 20 30 GIEDRN Cc1cc(N2CCC(CCC#N)CC2)nc([C@@H](C)N2CCC(CCC#N)CC2)n1 ZINC000571321197 823164843 /nfs/dbraw/zinc/16/48/43/823164843.db2.gz ZZNILTIHPWCGIZ-LJQANCHMSA-N 0 0 394.567 4.382 20 30 GIEDRN C=CCn1c(Cc2nc(C)cs2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC000571325065 823165367 /nfs/dbraw/zinc/16/53/67/823165367.db2.gz JATCGYSCIBMFJN-AWEZNQCLSA-N 0 0 383.496 4.083 20 30 GIEDRN CCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000187975735 823166422 /nfs/dbraw/zinc/16/64/22/823166422.db2.gz XVNJGPPILYIGNS-UHFFFAOYSA-N 0 0 395.890 4.364 20 30 GIEDRN CC[C@H]1CCCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 ZINC000571341858 823167838 /nfs/dbraw/zinc/16/78/38/823167838.db2.gz HTNGLWGNLYYLBZ-PMACEKPBSA-N 0 0 379.508 4.155 20 30 GIEDRN C#Cc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000056587295 823174933 /nfs/dbraw/zinc/17/49/33/823174933.db2.gz FVEOJHMHDYAKRK-UHFFFAOYSA-N 0 0 387.414 4.381 20 30 GIEDRN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000459373913 823175717 /nfs/dbraw/zinc/17/57/17/823175717.db2.gz KVZIMDUSCIUVIE-MAEOIBBWSA-N 0 0 381.432 4.048 20 30 GIEDRN N#Cc1cccc([N+](=O)[O-])c1CNC1(c2cccc(Br)c2)CCC1 ZINC000459378659 823177442 /nfs/dbraw/zinc/17/74/42/823177442.db2.gz ZCGRDMWPBPJWFM-UHFFFAOYSA-N 0 0 386.249 4.398 20 30 GIEDRN 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Cc1ccccc1-n1nc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c2c1CCC2 ZINC000182033647 822068963 /nfs/dbraw/zinc/06/89/63/822068963.db2.gz AWGGXMDTVGZKID-INIZCTEOSA-N 0 0 386.455 4.213 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000182088042 822088300 /nfs/dbraw/zinc/08/83/00/822088300.db2.gz KSTQZINEXRZVOB-ZDUSSCGKSA-N 0 0 381.432 4.416 20 30 GIEDRN COC(=O)c1ccc(-c2nc(CN(Cc3ccc(C#N)cc3)C3CC3)co2)cc1 ZINC000182093189 822091303 /nfs/dbraw/zinc/09/13/03/822091303.db2.gz RZLDOPRZZGSVHO-UHFFFAOYSA-N 0 0 387.439 4.164 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000182101871 822094513 /nfs/dbraw/zinc/09/45/13/822094513.db2.gz LOTHIXCJXIAENK-CQSZACIVSA-N 0 0 394.406 4.128 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182140832 822113475 /nfs/dbraw/zinc/11/34/75/822113475.db2.gz NDTXJCWKUVTOJE-GFCCVEGCSA-N 0 0 394.412 4.261 20 30 GIEDRN C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000182198406 822143209 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MGDLWTIFGWFEQG-UHFFFAOYSA-N 0 0 399.450 4.030 20 30 GIEDRN C[C@H]1CCN(C(=O)CNc2ccc(F)cc2OCC#N)c2ccccc2S1 ZINC000178037514 822293558 /nfs/dbraw/zinc/29/35/58/822293558.db2.gz FBDAWTBXIDBUHY-AWEZNQCLSA-N 0 0 385.464 4.057 20 30 GIEDRN N#CC1(c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)CC1 ZINC000182563685 822304478 /nfs/dbraw/zinc/30/44/78/822304478.db2.gz DNKGQILULRUVTJ-UHFFFAOYSA-N 0 0 385.423 4.017 20 30 GIEDRN CCc1cc(C#N)c(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000182566757 822306097 /nfs/dbraw/zinc/30/60/97/822306097.db2.gz RQZAEILEAQHQLV-VIFPVBQESA-N 0 0 384.427 4.300 20 30 GIEDRN C[C@H](C#N)CNC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000182593230 822315767 /nfs/dbraw/zinc/31/57/67/822315767.db2.gz RJVVDINHUFJNLR-PXAZEXFGSA-N 0 0 390.256 4.136 20 30 GIEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F ZINC000178103777 822320937 /nfs/dbraw/zinc/32/09/37/822320937.db2.gz UMWYTPLZYNVKIT-HNNXBMFYSA-N 0 0 394.381 4.337 20 30 GIEDRN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1cccc(F)c1 ZINC000178105964 822321945 /nfs/dbraw/zinc/32/19/45/822321945.db2.gz PEQNPHKQLHRGTI-QGZVFWFLSA-N 0 0 387.842 4.193 20 30 GIEDRN C=CCCC[C@H](C)NC(=O)c1cc(F)c(F)cc1I ZINC000182630437 822330741 /nfs/dbraw/zinc/33/07/41/822330741.db2.gz WIOSZIKKLCDLER-VIFPVBQESA-N 0 0 379.188 4.044 20 30 GIEDRN N#CCOc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000178153339 822335065 /nfs/dbraw/zinc/33/50/65/822335065.db2.gz WFEWCKJAOOPCCQ-HXUWFJFHSA-N 0 0 376.391 4.034 20 30 GIEDRN Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000178183443 822345308 /nfs/dbraw/zinc/34/53/08/822345308.db2.gz FNRZEPRFDBYALX-HUUCEWRRSA-N 0 0 399.454 4.310 20 30 GIEDRN Cc1cccc(-c2nc(CC(=O)Nc3nc4c(cc3C#N)CCCC4)cs2)c1 ZINC000182670296 822345352 /nfs/dbraw/zinc/34/53/52/822345352.db2.gz OXMUPIKDLMGFDQ-UHFFFAOYSA-N 0 0 388.496 4.445 20 30 GIEDRN Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4c(cc3C#N)CCCC4)s2)o1 ZINC000182670977 822345858 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GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000453414398 822359513 /nfs/dbraw/zinc/35/95/13/822359513.db2.gz NCMJQNHEOKHROC-APWZRJJASA-N 0 0 376.863 4.044 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccccc1Br ZINC000453416410 822359912 /nfs/dbraw/zinc/35/99/12/822359912.db2.gz WFYHTWDBWKLBNC-CZUORRHYSA-N 0 0 391.313 4.276 20 30 GIEDRN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 ZINC000453423496 822360757 /nfs/dbraw/zinc/36/07/57/822360757.db2.gz FEARIOJEOXDCEY-UHFFFAOYSA-N 0 0 379.291 4.055 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000453423227 822360833 /nfs/dbraw/zinc/36/08/33/822360833.db2.gz CLIYYWCRHAMYFT-INIZCTEOSA-N 0 0 379.291 4.185 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000453425921 822361487 /nfs/dbraw/zinc/36/14/87/822361487.db2.gz PCOSNYJATHINGG-MRXNPFEDSA-N 0 0 396.413 4.241 20 30 GIEDRN C#Cc1cccc(N(CC)C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000182750386 822362159 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C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453439078 822363100 /nfs/dbraw/zinc/36/31/00/822363100.db2.gz LAXFOPPYECSHTD-WOZUAGRISA-N 0 0 378.520 4.478 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453440862 822363545 /nfs/dbraw/zinc/36/35/45/822363545.db2.gz NJEQUCOUFADFMB-QWFCFKBJSA-N 0 0 382.508 4.097 20 30 GIEDRN C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC000453441747 822363645 /nfs/dbraw/zinc/36/36/45/822363645.db2.gz LJXMNRQXQXGCTE-UHFFFAOYSA-N 0 0 384.549 4.072 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2ccccc2OCC)CC1 ZINC000453442384 822363732 /nfs/dbraw/zinc/36/37/32/822363732.db2.gz PIRPKWKRRJZGRH-NRFANRHFSA-N 0 0 394.519 4.398 20 30 GIEDRN C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC000453447308 822364381 /nfs/dbraw/zinc/36/43/81/822364381.db2.gz AJZUUJRWXOVWKW-QFIPXVFZSA-N 0 0 398.576 4.295 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@]2(CCSC2)C1 ZINC000453449177 822364917 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Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1(C#N)CCSCC1 ZINC000179087841 822436778 /nfs/dbraw/zinc/43/67/78/822436778.db2.gz OWLVVTBHHTYBJL-UHFFFAOYSA-N 0 0 377.922 4.291 20 30 GIEDRN C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(C#N)cc1 ZINC000046033303 822437349 /nfs/dbraw/zinc/43/73/49/822437349.db2.gz HWAYZZONZRYWQP-GFCCVEGCSA-N 0 0 388.349 4.254 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000179094199 822437447 /nfs/dbraw/zinc/43/74/47/822437447.db2.gz YMTKBFMKXNKVRQ-OAQYLSRUSA-N 0 0 378.472 4.238 20 30 GIEDRN COc1cc([C@@H](C)NC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1OC1CCCC1 ZINC000454267636 822446640 /nfs/dbraw/zinc/44/66/40/822446640.db2.gz FGCZNDDWHGOINX-RYRKJORJSA-N 0 0 385.508 4.459 20 30 GIEDRN COc1ccc(CSCC(=O)Nc2ccc(Cl)c(C#N)c2)cc1[N+](=O)[O-] ZINC000046182498 822447675 /nfs/dbraw/zinc/44/76/75/822447675.db2.gz XYUJXMQAIDWWJG-UHFFFAOYSA-N 0 0 391.836 4.000 20 30 GIEDRN COC(=O)Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000183244949 822447721 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CC[C@H](C#N)NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c21 ZINC000179524587 822496793 /nfs/dbraw/zinc/49/67/93/822496793.db2.gz XXOKXCQVMMILFA-CYBMUJFWSA-N 0 0 382.514 4.491 20 30 GIEDRN CC[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000454567337 822497914 /nfs/dbraw/zinc/49/79/14/822497914.db2.gz AWSVRIIRLGYOPC-UTKZUKDTSA-N 0 0 379.460 4.284 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccnc(C(F)(F)F)c1 ZINC000454574358 822499208 /nfs/dbraw/zinc/49/92/08/822499208.db2.gz HGXXORCGKZMVJO-UHFFFAOYSA-N 0 0 378.354 4.081 20 30 GIEDRN CC(C)(C)c1cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)c(C#N)s1 ZINC000179544188 822500419 /nfs/dbraw/zinc/50/04/19/822500419.db2.gz QVRHWTUWMIYJHH-UHFFFAOYSA-N 0 0 385.464 4.435 20 30 GIEDRN CC(C)(C)c1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c(C#N)s1 ZINC000179544149 822500425 /nfs/dbraw/zinc/50/04/25/822500425.db2.gz AXQDNKIPJNKSKA-INIZCTEOSA-N 0 0 395.528 4.408 20 30 GIEDRN CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(C#N)s1 ZINC000179544136 822500504 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386.459 4.207 20 30 GIEDRN COc1cc(C)c(Br)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000184588887 822662193 /nfs/dbraw/zinc/66/21/93/822662193.db2.gz JTWVZRXPGKKJCI-UHFFFAOYSA-N 0 0 388.265 4.302 20 30 GIEDRN CC(C)[C@@H](CO)[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C(C)C ZINC000455485028 822663605 /nfs/dbraw/zinc/66/36/05/822663605.db2.gz NOBTWMQRMQVXQV-RTWAWAEBSA-N 0 0 396.491 4.156 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000184600112 822664084 /nfs/dbraw/zinc/66/40/84/822664084.db2.gz GRGDUNQBOGJBLO-FQEVSTJZSA-N 0 0 393.487 4.213 20 30 GIEDRN Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1-c1ccc(C)cc1 ZINC000180330984 822664579 /nfs/dbraw/zinc/66/45/79/822664579.db2.gz RTGNHMQRQBAOLL-UHFFFAOYSA-N 0 0 382.370 4.215 20 30 GIEDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184606894 822664856 /nfs/dbraw/zinc/66/48/56/822664856.db2.gz VRKBKQJSZMWRGG-CQSZACIVSA-N 0 0 386.415 4.110 20 30 GIEDRN C=CCCO[C@H](C)C(=O)Nc1c(Br)cc(F)cc1Br ZINC000180337271 822665870 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C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000184661806 822672283 /nfs/dbraw/zinc/67/22/83/822672283.db2.gz JTXLDHAPKBWXME-MRXNPFEDSA-N 0 0 396.447 4.110 20 30 GIEDRN C[C@H](NC(=O)NCCC[C@@H]1CCOC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000455540481 822672519 /nfs/dbraw/zinc/67/25/19/822672519.db2.gz WFPKOERMUSIUOO-ZWKOTPCHSA-N 0 0 377.488 4.402 20 30 GIEDRN CC(=O)NCc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000180385879 822673681 /nfs/dbraw/zinc/67/36/81/822673681.db2.gz CQOCQNDZJJUAFG-UHFFFAOYSA-N 0 0 398.431 4.250 20 30 GIEDRN C=C(C)CN(C)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000180394151 822675012 /nfs/dbraw/zinc/67/50/12/822675012.db2.gz NASZQSPOUCHLNC-UHFFFAOYSA-N 0 0 387.277 4.350 20 30 GIEDRN CCc1nc([C@H](C)NCCC(=O)Nc2sc3c(c2C#N)CCCC3)cs1 ZINC000184683819 822676268 /nfs/dbraw/zinc/67/62/68/822676268.db2.gz LKTGOWVBPFRTLB-LBPRGKRZSA-N 0 0 388.562 4.197 20 30 GIEDRN C=CCn1c(SC[C@H](O)CCc2ccccc2)nnc1-c1ccccc1OC ZINC000184686964 822676578 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C=CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000456703478 822824768 /nfs/dbraw/zinc/82/47/68/822824768.db2.gz QYYKHSBGXWANIV-OAQYLSRUSA-N 0 0 375.472 4.424 20 30 GIEDRN C=C(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000185828142 822825010 /nfs/dbraw/zinc/82/50/10/822825010.db2.gz VUJNTNBCGFGPIT-KPZWWZAWSA-N 0 0 388.418 4.133 20 30 GIEDRN C=C(C)[C@@H](NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000185834750 822825689 /nfs/dbraw/zinc/82/56/89/822825689.db2.gz JFQRTXUKKMRUJK-SUMWQHHRSA-N 0 0 397.466 4.137 20 30 GIEDRN C=C(C)[C@H](NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000185834790 822825698 /nfs/dbraw/zinc/82/56/98/822825698.db2.gz JFQRTXUKKMRUJK-GUYCJALGSA-N 0 0 397.466 4.137 20 30 GIEDRN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000185837230 822825894 /nfs/dbraw/zinc/82/58/94/822825894.db2.gz BMUVYERPZILECV-YPMHNXCESA-N 0 0 375.822 4.051 20 30 GIEDRN CC(C)Sc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000053212229 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N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000064620910 823853572 /nfs/dbraw/zinc/85/35/72/823853572.db2.gz CZRSOWWZQZDHAK-UHFFFAOYSA-N 0 0 398.441 4.136 20 30 GIEDRN N#Cc1ccc(-c2nnc(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000192085448 823855358 /nfs/dbraw/zinc/85/53/58/823855358.db2.gz KIEHAQCHSUSEKU-PKOBYXMFSA-N 0 0 398.825 4.021 20 30 GIEDRN Cc1nc(C)c(C#N)c(S[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 ZINC000126392390 823855543 /nfs/dbraw/zinc/85/55/43/823855543.db2.gz FTHAXYSBLPGTNV-LLVKDONJSA-N 0 0 385.880 4.446 20 30 GIEDRN Cc1nc(C)c(C#N)c(S[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)n1 ZINC000126392148 823855709 /nfs/dbraw/zinc/85/57/09/823855709.db2.gz FTHAXYSBLPGTNV-NSHDSACASA-N 0 0 385.880 4.446 20 30 GIEDRN N#Cc1ccc(NCc2nc(COc3ccc(F)cc3)no2)cc1C(F)(F)F ZINC000462181881 823857735 /nfs/dbraw/zinc/85/77/35/823857735.db2.gz ZZKLCLZPWOSWCX-UHFFFAOYSA-N 0 0 392.312 4.290 20 30 GIEDRN N#Cc1cccc(F)c1Cc1nc(Cc2csc(-c3ccccc3)n2)no1 ZINC000574922365 823860733 /nfs/dbraw/zinc/86/07/33/823860733.db2.gz PKJCJNCDSBDRFD-UHFFFAOYSA-N 0 0 376.416 4.385 20 30 GIEDRN N#Cc1cc(NCc2ccc(Cn3ccccc3=O)cc2)ccc1C(F)(F)F ZINC000165955034 823866910 /nfs/dbraw/zinc/86/69/10/823866910.db2.gz UGPRFJAGGRTJDT-UHFFFAOYSA-N 0 0 383.373 4.399 20 30 GIEDRN C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000165981805 823867256 /nfs/dbraw/zinc/86/72/56/823867256.db2.gz WDBGKXPFGHGIMG-KGLIPLIRSA-N 0 0 396.434 4.189 20 30 GIEDRN N#C[C@H](C(=O)c1cccc(NC(N)=O)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714658 823869696 /nfs/dbraw/zinc/86/96/96/823869696.db2.gz QAZGQFUMARVRJV-GFCCVEGCSA-N 0 0 398.394 4.069 20 30 GIEDRN CCCCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)cc1OC ZINC000064743438 823877866 /nfs/dbraw/zinc/87/78/66/823877866.db2.gz OKCWVXQLOABCHH-UHFFFAOYSA-N 0 0 383.448 4.076 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)NCc1ccc(Br)cc1Cl ZINC000064742139 823877873 /nfs/dbraw/zinc/87/78/73/823877873.db2.gz MIDBYTDWNOMPJK-UHFFFAOYSA-N 0 0 394.656 4.304 20 30 GIEDRN COc1ccc([C@@H](NC(=O)Nc2cc(C#N)ccc2OC)c2ccccc2)cc1 ZINC000064743417 823877891 /nfs/dbraw/zinc/87/78/91/823877891.db2.gz NVBZNLIRQZKOIY-QFIPXVFZSA-N 0 0 387.439 4.487 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000064743514 823877928 /nfs/dbraw/zinc/87/79/28/823877928.db2.gz QIWWVVOFLFKIPS-OAHLLOKOSA-N 0 0 398.894 4.131 20 30 GIEDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CNc1ccccc1SCCC#N ZINC000462221439 823879387 /nfs/dbraw/zinc/87/93/87/823879387.db2.gz CYYPJVMZMFSMDX-AWEZNQCLSA-N 0 0 389.471 4.130 20 30 GIEDRN N#Cc1cccc(C2(NC(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)CC2)c1 ZINC000462222461 823879884 /nfs/dbraw/zinc/87/98/84/823879884.db2.gz DREGRVNLKUKLSX-SFHVURJKSA-N 0 0 387.405 4.268 20 30 GIEDRN COc1ccc(C(=O)N2CCCCCC2)cc1NCCOc1cccc(C#N)c1 ZINC000462224615 823880734 /nfs/dbraw/zinc/88/07/34/823880734.db2.gz LSBBGTKRMPYFCU-UHFFFAOYSA-N 0 0 393.487 4.074 20 30 GIEDRN Cc1cccc([C@H]2CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)n1 ZINC000166732097 823881902 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379.460 4.343 20 30 GIEDRN C[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000462252544 823899638 /nfs/dbraw/zinc/89/96/38/823899638.db2.gz BONDBPBLJMMIGU-KRWDZBQOSA-N 0 0 375.472 4.173 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000064850736 823900730 /nfs/dbraw/zinc/90/07/30/823900730.db2.gz LXWRDNUNJZFEJI-UHFFFAOYSA-N 0 0 382.483 4.071 20 30 GIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(Br)c(F)cc1F ZINC000192209086 823903045 /nfs/dbraw/zinc/90/30/45/823903045.db2.gz GVMJBUOFVUUKQX-UHFFFAOYSA-N 0 0 382.208 4.408 20 30 GIEDRN C[C@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)c1cccc(Br)c1 ZINC000462268640 823906789 /nfs/dbraw/zinc/90/67/89/823906789.db2.gz IIYHHMMWLIRMEZ-IFXJQAMLSA-N 0 0 399.288 4.024 20 30 GIEDRN COc1ccc2[nH]c(SCCC(=O)Nc3sc4c(c3C#N)CCC4)nc2c1 ZINC000126593789 823907051 /nfs/dbraw/zinc/90/70/51/823907051.db2.gz RCLCICVVBJIZJE-UHFFFAOYSA-N 0 0 398.513 4.114 20 30 GIEDRN C=CCn1c2ncn(CCOc3cccc4ccccc43)c(=O)c2sc1=S ZINC000064927332 823913511 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CCCCS(=O)(=O)c1ccc(C(=O)Nc2sc(CC)cc2C#N)cc1 ZINC000192288610 823935042 /nfs/dbraw/zinc/93/50/42/823935042.db2.gz DRZKGWCURJJMBV-UHFFFAOYSA-N 0 0 376.503 4.008 20 30 GIEDRN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1ccc(Cl)s1 ZINC000126732573 823937862 /nfs/dbraw/zinc/93/78/62/823937862.db2.gz AQPYWULXGDROTE-ZDUSSCGKSA-N 0 0 379.888 4.308 20 30 GIEDRN C[C@@H](NC(=O)NC(C)(C)c1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575210167 823939720 /nfs/dbraw/zinc/93/97/20/823939720.db2.gz XKALSAPRDSNKGV-MRXNPFEDSA-N 0 0 387.487 4.254 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170693755 823941823 /nfs/dbraw/zinc/94/18/23/823941823.db2.gz NDNPRFNLACHNKW-LEWJYISDSA-N 0 0 395.459 4.213 20 30 GIEDRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncccc1OCCCC#N ZINC000170693851 823942073 /nfs/dbraw/zinc/94/20/73/823942073.db2.gz MJSJAPXNRQBWQQ-GFCCVEGCSA-N 0 0 394.258 4.477 20 30 GIEDRN C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000126778651 823949042 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C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCOCC2(CCC2)C1 ZINC000571036055 823123164 /nfs/dbraw/zinc/12/31/64/823123164.db2.gz PBGWHAQSYMSROL-UHFFFAOYSA-N 0 0 389.503 4.076 20 30 GIEDRN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121139129 823125049 /nfs/dbraw/zinc/12/50/49/823125049.db2.gz OCTSYSQHLJTTLP-XXBNENTESA-N 0 0 390.531 4.019 20 30 GIEDRN Cc1cnc([C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C2CC2)s1 ZINC000176114643 823125067 /nfs/dbraw/zinc/12/50/67/823125067.db2.gz LPXUWDQXLBHROV-INIZCTEOSA-N 0 0 393.434 4.272 20 30 GIEDRN C=CC[C@@H](C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000187750134 823125241 /nfs/dbraw/zinc/12/52/41/823125241.db2.gz PQUYXRITKIHVLU-OAQYLSRUSA-N 0 0 377.488 4.159 20 30 GIEDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(OCC(F)(F)F)c1 ZINC000056313180 823125538 /nfs/dbraw/zinc/12/55/38/823125538.db2.gz JZDYODMIBZQJOI-CYBMUJFWSA-N 0 0 378.350 4.214 20 30 GIEDRN C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1(C)C ZINC000571064461 823126792 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C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000571099633 823132092 /nfs/dbraw/zinc/13/20/92/823132092.db2.gz OTNFGVQJGKITCC-OAQYLSRUSA-N 0 0 392.503 4.081 20 30 GIEDRN C=C(C)[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000187789988 823133538 /nfs/dbraw/zinc/13/35/38/823133538.db2.gz FZPCKAKGUHFNQA-GOSISDBHSA-N 0 0 375.444 4.360 20 30 GIEDRN C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000187789012 823133594 /nfs/dbraw/zinc/13/35/94/823133594.db2.gz UVGITPKWXVSXJP-UHFFFAOYSA-N 0 0 381.476 4.287 20 30 GIEDRN C=C[C@](C)(CCOC)C(=O)Nc1ccc(Br)cc1Br ZINC000187799011 823135696 /nfs/dbraw/zinc/13/56/96/823135696.db2.gz FCOBSHYCDDGABC-CQSZACIVSA-N 0 0 391.103 4.379 20 30 GIEDRN N#Cc1ccc(F)c(CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000187792192 823134057 /nfs/dbraw/zinc/13/40/57/823134057.db2.gz NCQGRKWFWGIJTL-UHFFFAOYSA-N 0 0 392.352 4.235 20 30 GIEDRN C=C(C)[C@H](N[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(F)c(F)c1 ZINC000187794792 823134652 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CCC(CC)n1nccc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000121251535 823148052 /nfs/dbraw/zinc/14/80/52/823148052.db2.gz UKLYJOOISJJTQQ-UHFFFAOYSA-N 0 0 380.492 4.236 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000459232342 823148872 /nfs/dbraw/zinc/14/88/72/823148872.db2.gz HHPRLQDFFXOSRP-HNNXBMFYSA-N 0 0 382.277 4.375 20 30 GIEDRN C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)C1 ZINC000121267179 823151691 /nfs/dbraw/zinc/15/16/91/823151691.db2.gz LOGIWAPEIANCQN-RBZFPXEDSA-N 0 0 390.915 4.462 20 30 GIEDRN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCC(C)(C)CC#N ZINC000459254734 823152339 /nfs/dbraw/zinc/15/23/39/823152339.db2.gz FYXQDMRVJCQDRC-HNNXBMFYSA-N 0 0 394.313 4.244 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000459259455 823152882 /nfs/dbraw/zinc/15/28/82/823152882.db2.gz NUAJCMCUWHGDEO-UHFFFAOYSA-N 0 0 382.277 4.202 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000459258239 823152890 /nfs/dbraw/zinc/15/28/90/823152890.db2.gz 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GIEDRN CO[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@H]1C ZINC000189992893 823522991 /nfs/dbraw/zinc/52/29/91/823522991.db2.gz BFXOJDCFVMDTQK-VGOFRKELSA-N 0 0 393.487 4.220 20 30 GIEDRN C=CCc1ccc(OCC(=O)Nc2cccc(Oc3cnccn3)c2)c(OC)c1 ZINC000033136728 821037235 /nfs/dbraw/zinc/03/72/35/821037235.db2.gz QGNAAXAQQYIUHT-UHFFFAOYSA-N 0 0 391.427 4.024 20 30 GIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000033177265 821043807 /nfs/dbraw/zinc/04/38/07/821043807.db2.gz XVQMLYHCAMLCHW-LBPRGKRZSA-N 0 0 377.366 4.049 20 30 GIEDRN CCCC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)CC1 ZINC000410977789 823527476 /nfs/dbraw/zinc/52/74/76/823527476.db2.gz KWJIQNILSGVUOC-KGLIPLIRSA-N 0 0 387.549 4.283 20 30 GIEDRN C=CCOc1ccc(CN2CCC(O)(c3c(F)cccc3F)CC2)cc1OC ZINC000190025304 823527739 /nfs/dbraw/zinc/52/77/39/823527739.db2.gz OIQZLMDICCJNEY-UHFFFAOYSA-N 0 0 389.442 4.022 20 30 GIEDRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2C#N)-c2ccccc2OC3)C1 ZINC000410982231 823528372 /nfs/dbraw/zinc/52/83/72/823528372.db2.gz IHTNEHMPNNWWOM-QWHCGFSZSA-N 0 0 396.468 4.097 20 30 GIEDRN CCN(C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000460850466 823528439 /nfs/dbraw/zinc/52/84/39/823528439.db2.gz QGBNUCWWYPNULF-FOIQADDNSA-N 0 0 395.890 4.174 20 30 GIEDRN Cn1cc(C(=O)Nc2ccc(Br)c(C#N)c2)c(C2CCCCC2)n1 ZINC000410990820 823530035 /nfs/dbraw/zinc/53/00/35/823530035.db2.gz TZSSBKKZKWIGJR-UHFFFAOYSA-N 0 0 387.281 4.354 20 30 GIEDRN Cc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c2cnn(C)c2n1 ZINC000410991345 823530049 /nfs/dbraw/zinc/53/00/49/823530049.db2.gz YEGZCGRBOPIKNE-JQWIXIFHSA-N 0 0 379.489 4.148 20 30 GIEDRN C[C@@H]1CCc2sc(NC(=O)c3cc(=O)n(C)c4ccccc34)c(C#N)c2[C@@H]1C ZINC000410991956 823530223 /nfs/dbraw/zinc/53/02/23/823530223.db2.gz ZVDFMWUYPVRACE-CHWSQXEVSA-N 0 0 391.496 4.410 20 30 GIEDRN COCc1nc(C)c(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)s1 ZINC000410986703 823528941 /nfs/dbraw/zinc/52/89/41/823528941.db2.gz PYDBYUHNJJADFO-NXEZZACHSA-N 0 0 375.519 4.469 20 30 GIEDRN C=CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2C)c(OC)c1 ZINC000036728796 821079227 /nfs/dbraw/zinc/07/92/27/821079227.db2.gz OIIMARFHRLTXLK-UHFFFAOYSA-N 0 0 380.488 4.350 20 30 GIEDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000177776283 823524539 /nfs/dbraw/zinc/52/45/39/823524539.db2.gz CIHYXNKJOIIBIC-IEBWSBKVSA-N 0 0 379.485 4.407 20 30 GIEDRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3CC#N)CC2=O)c1C ZINC000410961605 823524885 /nfs/dbraw/zinc/52/48/85/823524885.db2.gz AMAGRQTZWCLGQS-MRXNPFEDSA-N 0 0 381.863 4.015 20 30 GIEDRN COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc(OC)c1OC ZINC000036832208 821086745 /nfs/dbraw/zinc/08/67/45/821086745.db2.gz CMUONNGHEWVBJM-IZZDOVSWSA-N 0 0 398.459 4.138 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccoc1C ZINC000036834044 821086957 /nfs/dbraw/zinc/08/69/57/821086957.db2.gz WITYXYXWPZFQSW-HNNXBMFYSA-N 0 0 382.489 4.460 20 30 GIEDRN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Cl)cc2CC#N)cs1 ZINC000410964548 823525341 /nfs/dbraw/zinc/52/53/41/823525341.db2.gz HQMHTMCHIMRHJA-UHFFFAOYSA-N 0 0 390.896 4.028 20 30 GIEDRN COCCOC1CCC(C(=O)Nc2sc3c(c2C#N)C[C@H](C)C[C@H]3C)CC1 ZINC000410965428 823525407 /nfs/dbraw/zinc/52/54/07/823525407.db2.gz BRHKGYOBSADERL-WXLSXGNJSA-N 0 0 390.549 4.466 20 30 GIEDRN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000190011631 823525627 /nfs/dbraw/zinc/52/56/27/823525627.db2.gz OXIBWIVDCSTACH-LJQANCHMSA-N 0 0 381.863 4.077 20 30 GIEDRN CO[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)sc2C1 ZINC000410968492 823525827 /nfs/dbraw/zinc/52/58/27/823525827.db2.gz MHLOZTOFZBXNSY-INIZCTEOSA-N 0 0 393.512 4.203 20 30 GIEDRN N#CCc1cc(Cl)ccc1NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000410971606 823526150 /nfs/dbraw/zinc/52/61/50/823526150.db2.gz SKQCNKDOJGHAQE-UHFFFAOYSA-N 0 0 397.862 4.088 20 30 GIEDRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000410990451 823529785 /nfs/dbraw/zinc/52/97/85/823529785.db2.gz WOTOHAOUHRLUAI-GXTWGEPZSA-N 0 0 391.500 4.447 20 30 GIEDRN N#CCc1cc(Cl)ccc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000410972717 823526338 /nfs/dbraw/zinc/52/63/38/823526338.db2.gz UYDFMYMHYXCDES-UHFFFAOYSA-N 0 0 376.243 4.496 20 30 GIEDRN CCOc1ccc(N(CCC#N)C(=O)CSc2ccc(F)cc2F)cc1 ZINC000039517328 821108943 /nfs/dbraw/zinc/10/89/43/821108943.db2.gz PBLALWFYDQVHEY-UHFFFAOYSA-N 0 0 376.428 4.402 20 30 GIEDRN CO[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H]3CCOc4ccccc43)sc2C1 ZINC000410975736 823526828 /nfs/dbraw/zinc/52/68/28/823526828.db2.gz YACANSRDXLWLSF-KBPBESRZSA-N 0 0 382.485 4.018 20 30 GIEDRN CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3CC#N)CC2=O)c1 ZINC000410975288 823526834 /nfs/dbraw/zinc/52/68/34/823526834.db2.gz ZIEPFQPSXFFQKA-AWEZNQCLSA-N 0 0 399.903 4.120 20 30 GIEDRN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000190020892 823526882 /nfs/dbraw/zinc/52/68/82/823526882.db2.gz SISAZWXWHDZXTC-NRFANRHFSA-N 0 0 389.499 4.353 20 30 GIEDRN COc1cccc(Cl)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](OC)C2 ZINC000410977151 823527213 /nfs/dbraw/zinc/52/72/13/823527213.db2.gz BTLKJCJHSORLBF-JTQLQIEISA-N 0 0 376.865 4.038 20 30 GIEDRN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)c3csc(-c4cnn(C)c4)n3)c(C#N)c21 ZINC000411023573 823535318 /nfs/dbraw/zinc/53/53/18/823535318.db2.gz YQPGOOAXEDGPPB-WDEREUQCSA-N 0 0 397.529 4.415 20 30 GIEDRN CCO[C@H](C)c1nc(CC(=O)Nc2ccc(Br)c(C#N)c2)cs1 ZINC000410994258 823530573 /nfs/dbraw/zinc/53/05/73/823530573.db2.gz ZVPHOERKRTVKKP-SNVBAGLBSA-N 0 0 394.294 4.056 20 30 GIEDRN COCCOC1CCC(C(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)CC1 ZINC000410993976 823530596 /nfs/dbraw/zinc/53/05/96/823530596.db2.gz AJZCIZRGABSXLY-WXLSXGNJSA-N 0 0 390.549 4.466 20 30 GIEDRN C=CC[C@@H]1N(c2nnc(CNC(=O)c3ccco3)n2CC(C)C)CCCC1(C)C ZINC000460859819 823530665 /nfs/dbraw/zinc/53/06/65/823530665.db2.gz LIUAVQTVVYNRRF-SFHVURJKSA-N 0 0 399.539 4.028 20 30 GIEDRN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)c3cc4ccccc4c(=O)n3C)c(C#N)c21 ZINC000410994454 823530640 /nfs/dbraw/zinc/53/06/40/823530640.db2.gz BCNYJJOJVCOPLA-QWHCGFSZSA-N 0 0 391.496 4.410 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)c3cnc(C(F)(F)F)nc3)c(C#N)c2[C@@H](C)C1 ZINC000410994781 823530745 /nfs/dbraw/zinc/53/07/45/823530745.db2.gz BOYMMBJTULCTOR-IUCAKERBSA-N 0 0 380.395 4.367 20 30 GIEDRN Cc1ccccc1-n1nc(C(=O)N2CCCc3cc(C#N)ccc32)c2c1CCC2 ZINC000410997136 823531140 /nfs/dbraw/zinc/53/11/40/823531140.db2.gz BANGPEKHUKDDAS-UHFFFAOYSA-N 0 0 382.467 4.134 20 30 GIEDRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000411025738 823535446 /nfs/dbraw/zinc/53/54/46/823535446.db2.gz CMWKBXHLHSSIOZ-BBRMVZONSA-N 0 0 384.480 4.125 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)C3CCN(CC(F)F)CC3)c(C#N)c2[C@@H](C)C1 ZINC000411024691 823535478 /nfs/dbraw/zinc/53/54/78/823535478.db2.gz ZUASIXKYOLNVRV-RYUDHWBXSA-N 0 0 381.492 4.221 20 30 GIEDRN CN(CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCSC1 ZINC000123689169 823531834 /nfs/dbraw/zinc/53/18/34/823531834.db2.gz BWMYABXUPAPKSY-CABCVRRESA-N 0 0 391.949 4.077 20 30 GIEDRN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2sc(C(C)(C)C)cc2C#N)C1=O ZINC000411006522 823531994 /nfs/dbraw/zinc/53/19/94/823531994.db2.gz JRJLHNQCRQSCEY-CYBMUJFWSA-N 0 0 397.500 4.060 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)CN(C)C(=O)c3cccs3)c(C#N)c2[C@@H](C)C1 ZINC000411007707 823532399 /nfs/dbraw/zinc/53/23/99/823532399.db2.gz GXVRASFMIVFMDG-NEPJUHHUSA-N 0 0 387.530 4.078 20 30 GIEDRN Cc1nc(C)c(C#N)c(SCc2nc3ccc(Br)cc3o2)n1 ZINC000460868572 823532670 /nfs/dbraw/zinc/53/26/70/823532670.db2.gz JZAYASBAHJEQEK-UHFFFAOYSA-N 0 0 375.251 4.161 20 30 GIEDRN Cc1nc(C)n(CCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)n1 ZINC000411009490 823532744 /nfs/dbraw/zinc/53/27/44/823532744.db2.gz YFMCEESKYWRYMI-OAHLLOKOSA-N 0 0 385.537 4.008 20 30 GIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 ZINC000041142071 821172752 /nfs/dbraw/zinc/17/27/52/821172752.db2.gz KRGWQOHYJKJYCC-QHCPKHFHSA-N 0 0 397.478 4.377 20 30 GIEDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000041239867 821180115 /nfs/dbraw/zinc/18/01/15/821180115.db2.gz KGSVKWWKBNJWIQ-QGZVFWFLSA-N 0 0 390.270 4.317 20 30 GIEDRN Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000041494404 821198118 /nfs/dbraw/zinc/19/81/18/821198118.db2.gz CENMTIUYINTTSM-OAHLLOKOSA-N 0 0 375.819 4.201 20 30 GIEDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496048 821199217 /nfs/dbraw/zinc/19/92/17/821199217.db2.gz ZCCIDXKUNLZGGT-HNNXBMFYSA-N 0 0 376.416 4.400 20 30 GIEDRN N#CC(C(=O)CSc1ccc2ccccc2c1)c1nnc2n1CCCCC2 ZINC000041508025 821201137 /nfs/dbraw/zinc/20/11/37/821201137.db2.gz XGNLZMNCMBEEHX-SFHVURJKSA-N 0 0 376.485 4.126 20 30 GIEDRN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(NC(N)=O)cc3)n2)cc1 ZINC000041512237 821201908 /nfs/dbraw/zinc/20/19/08/821201908.db2.gz RXVBSXZQDPQRAW-INIZCTEOSA-N 0 0 376.441 4.099 20 30 GIEDRN N#CC(C(=O)CCNc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000041522563 821205189 /nfs/dbraw/zinc/20/51/89/821205189.db2.gz UJWMYIHSASLLIO-OAHLLOKOSA-N 0 0 392.440 4.397 20 30 GIEDRN COc1ccc(CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1OC ZINC000041559492 821210777 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COc1ccc(CNc2ccc(N3CCOCC3)c(C)c2)cc1OCCCC#N ZINC000181583525 821889685 /nfs/dbraw/zinc/88/96/85/821889685.db2.gz VUWAMAIXSNSAOA-UHFFFAOYSA-N 0 0 395.503 4.135 20 30 GIEDRN COC(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1Br ZINC000181585598 821890714 /nfs/dbraw/zinc/89/07/14/821890714.db2.gz QHPPUSKTZKZUMQ-UHFFFAOYSA-N 0 0 399.244 4.043 20 30 GIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]1C(C)(C)O ZINC000181690568 821945588 /nfs/dbraw/zinc/94/55/88/821945588.db2.gz SXXWHSMJOIDHDA-NRFANRHFSA-N 0 0 393.487 4.213 20 30 GIEDRN C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)c1nnc(C)s1 ZINC000181722561 821961361 /nfs/dbraw/zinc/96/13/61/821961361.db2.gz GRKUEQYEHIHBLG-LLVKDONJSA-N 0 0 391.497 4.195 20 30 GIEDRN CCC(CC)[C@H](NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccccc1 ZINC000181730506 821964929 /nfs/dbraw/zinc/96/49/29/821964929.db2.gz SZIBGXNOBWUNJE-KKSFZXQISA-N 0 0 393.487 4.210 20 30 GIEDRN CCCCC1CCC(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181744690 821973267 /nfs/dbraw/zinc/97/32/67/821973267.db2.gz 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CC(C)(C)N1CC[C@H](NC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000182513592 822277150 /nfs/dbraw/zinc/27/71/50/822277150.db2.gz GBLSKZUUCGMDHD-ROUUACIJSA-N 0 0 394.922 4.386 20 30 GIEDRN N#CCc1cccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)c1 ZINC000178013442 822282428 /nfs/dbraw/zinc/28/24/28/822282428.db2.gz QQYLVHSZNJJMKR-UHFFFAOYSA-N 0 0 391.652 4.208 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1SC(F)F ZINC000182571153 822307604 /nfs/dbraw/zinc/30/76/04/822307604.db2.gz ORFWZJAEOJINAZ-GFCCVEGCSA-N 0 0 377.416 4.343 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000182573043 822308184 /nfs/dbraw/zinc/30/81/84/822308184.db2.gz OLJQJKSFWZGLRK-SBUREZEXSA-N 0 0 377.488 4.437 20 30 GIEDRN C=CCOc1cccc(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000182588032 822313471 /nfs/dbraw/zinc/31/34/71/822313471.db2.gz MXXKSDSRYWEITI-GFCCVEGCSA-N 0 0 381.398 4.369 20 30 GIEDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000182611552 822321872 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N#CCc1cccc(C(=O)Nc2cc(Br)ccc2N2CCCC2)c1 ZINC000178207705 822352494 /nfs/dbraw/zinc/35/24/94/822352494.db2.gz NWNLMGRLXPPLSH-UHFFFAOYSA-N 0 0 384.277 4.368 20 30 GIEDRN C=CCn1c(-c2ccccc2C)nn(CCN2C[C@@H](C(C)(C)C)CC2=O)c1=S ZINC000182718618 822357419 /nfs/dbraw/zinc/35/74/19/822357419.db2.gz UZAVXBIIJSKTKH-KRWDZBQOSA-N 0 0 398.576 4.470 20 30 GIEDRN C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1 ZINC000178240746 822357674 /nfs/dbraw/zinc/35/76/74/822357674.db2.gz XANFQRPLBHWWPV-UHFFFAOYSA-N 0 0 395.528 4.251 20 30 GIEDRN Cc1nnc(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000182722448 822357889 /nfs/dbraw/zinc/35/78/89/822357889.db2.gz NIGQYUGECDFRRH-LLVKDONJSA-N 0 0 395.315 4.241 20 30 GIEDRN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728071 822358299 /nfs/dbraw/zinc/35/82/99/822358299.db2.gz PFNWBVALTIGTGZ-UZLBHIALSA-N 0 0 386.455 4.059 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000453412421 822359314 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C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000453438014 822362815 /nfs/dbraw/zinc/36/28/15/822362815.db2.gz JSDNAZBKXJWEEF-QUCCMNQESA-N 0 0 398.507 4.064 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000453442303 822363555 /nfs/dbraw/zinc/36/35/55/822363555.db2.gz PDKKOJFKIWQNOE-FXAWDEMLSA-N 0 0 384.524 4.029 20 30 GIEDRN C[C@@H](C#N)CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000182764308 822364021 /nfs/dbraw/zinc/36/40/21/822364021.db2.gz WZCKYVJSBYGNRW-ZDUSSCGKSA-N 0 0 377.275 4.260 20 30 GIEDRN C=CCn1c(N2CCC[C@H](c3ccc(F)cc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453446978 822364377 /nfs/dbraw/zinc/36/43/77/822364377.db2.gz WXPHJMPSEFVTJP-HTAPYJJXSA-N 0 0 384.499 4.403 20 30 GIEDRN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OCCOC(C)C)CC1 ZINC000453450484 822365314 /nfs/dbraw/zinc/36/53/14/822365314.db2.gz HSDMNYWTZONQNC-UHFFFAOYSA-N 0 0 398.551 4.240 20 30 GIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC000453453524 822366462 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CC(C)(C)OC(=O)NC1(c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)CCC1 ZINC000182793330 822368358 /nfs/dbraw/zinc/36/83/58/822368358.db2.gz VYWSIDCXDJJFDU-UHFFFAOYSA-N 0 0 380.448 4.196 20 30 GIEDRN COC(=O)C[C@@H](NC(=O)Nc1cc(C#N)ccc1C)c1ccc(Cl)c(F)c1 ZINC000178336459 822368445 /nfs/dbraw/zinc/36/84/45/822368445.db2.gz FWDBVJWKITWSEX-QGZVFWFLSA-N 0 0 389.814 4.085 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000453460917 822368623 /nfs/dbraw/zinc/36/86/23/822368623.db2.gz FAJNGEDQULCXGN-DAYGRLMNSA-N 0 0 388.462 4.366 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000453460941 822368653 /nfs/dbraw/zinc/36/86/53/822368653.db2.gz FGPGHAMLMXZGAJ-LJQANCHMSA-N 0 0 397.910 4.334 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](c2c(F)cccc2F)C1 ZINC000453462265 822369205 /nfs/dbraw/zinc/36/92/05/822369205.db2.gz HNNPIEXVKLPLPW-MAUKXSAKSA-N 0 0 388.462 4.368 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000453463849 822369620 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GIEDRN N#C[C@]1(NC(=O)CCCc2ncc(-c3ccccc3)o2)CCc2ccccc2C1 ZINC000183974812 822556552 /nfs/dbraw/zinc/55/65/52/822556552.db2.gz QFSODMRIMXKYNR-DEOSSOPVSA-N 0 0 385.467 4.232 20 30 GIEDRN Cc1nc(CCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)oc1-c1ccccc1 ZINC000183975960 822556783 /nfs/dbraw/zinc/55/67/83/822556783.db2.gz JJEVDHNQLBJNOV-DEOSSOPVSA-N 0 0 385.467 4.150 20 30 GIEDRN C[C@@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H]1C ZINC000179808316 822556951 /nfs/dbraw/zinc/55/69/51/822556951.db2.gz YBIRPCRUOLTCEM-OLZOCXBDSA-N 0 0 387.534 4.354 20 30 GIEDRN N#C[C@]1(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CCc2ccccc2C1 ZINC000183979146 822557361 /nfs/dbraw/zinc/55/73/61/822557361.db2.gz MTXQTHWADBMYOG-VWLOTQADSA-N 0 0 395.462 4.120 20 30 GIEDRN N#Cc1ccsc1NC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC000179810854 822557526 /nfs/dbraw/zinc/55/75/26/822557526.db2.gz VJCKRDAELXIXOV-LJQANCHMSA-N 0 0 379.460 4.271 20 30 GIEDRN COc1cccc(-c2nc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)c(C)[nH]2)c1 ZINC000179811017 822557711 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C=CCn1c(SCc2cc(-c3cnn(C)c3)no2)nnc1-c1ccc(C)cc1 ZINC000184022083 822565788 /nfs/dbraw/zinc/56/57/88/822565788.db2.gz USRJKRDKYDEKEU-UHFFFAOYSA-N 0 0 392.488 4.120 20 30 GIEDRN CN(C)C(=O)c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1Cl ZINC000454983625 822565898 /nfs/dbraw/zinc/56/58/98/822565898.db2.gz CUBQUOSCMOADPZ-UHFFFAOYSA-N 0 0 383.879 4.121 20 30 GIEDRN Cc1ccc2nc(COc3ccccc3C(=O)O[C@@H]3CC[C@H](C#N)C3)cn2c1 ZINC000179880843 822570733 /nfs/dbraw/zinc/57/07/33/822570733.db2.gz HHZGWLQJCZJWIB-FUHWJXTLSA-N 0 0 375.428 4.071 20 30 GIEDRN Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(C)n1Cc1ccccn1 ZINC000047372368 822571787 /nfs/dbraw/zinc/57/17/87/822571787.db2.gz LBRXUUAABLPPNX-GOSISDBHSA-N 0 0 398.388 4.452 20 30 GIEDRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N(CCC#N)Cc2ccco2)c1 ZINC000179906958 822574798 /nfs/dbraw/zinc/57/47/98/822574798.db2.gz SXZFNEUCCBWSBZ-UHFFFAOYSA-N 0 0 383.448 4.112 20 30 GIEDRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3ccc(C#N)cc3)c2)c1 ZINC000047409140 822576372 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N#Cc1ccc(Cc2cnc(NC(=O)c3ncccc3C(F)(F)F)s2)cc1 ZINC000179943422 822582253 /nfs/dbraw/zinc/58/22/53/822582253.db2.gz SPQCCYRQGWDATM-UHFFFAOYSA-N 0 0 388.374 4.272 20 30 GIEDRN N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000047517343 822586302 /nfs/dbraw/zinc/58/63/02/822586302.db2.gz SKAOHLSYNUKBNQ-UHFFFAOYSA-N 0 0 386.436 4.492 20 30 GIEDRN CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000179971473 822588075 /nfs/dbraw/zinc/58/80/75/822588075.db2.gz NOBPYCPCOYTACI-UHFFFAOYSA-N 0 0 388.467 4.475 20 30 GIEDRN O=C(NCCSC(F)(F)F)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000047547345 822589444 /nfs/dbraw/zinc/58/94/44/822589444.db2.gz BDUXHFVDPVLAEM-UHFFFAOYSA-N 0 0 396.284 4.264 20 30 GIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCCCC[C@@H]3c3ncon3)c2)cc1 ZINC000184169002 822589711 /nfs/dbraw/zinc/58/97/11/822589711.db2.gz ZNVVHJOMUJXPQT-HXUWFJFHSA-N 0 0 388.427 4.491 20 30 GIEDRN CCCCN(C)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OCC)cc1 ZINC000179980722 822589922 /nfs/dbraw/zinc/58/99/22/822589922.db2.gz KDTOANMBGRUGQW-LJQANCHMSA-N 0 0 393.487 4.283 20 30 GIEDRN CCCCN(CC)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)cc1 ZINC000179981473 822590153 /nfs/dbraw/zinc/59/01/53/822590153.db2.gz WIRDVGOUZDHDGL-LJQANCHMSA-N 0 0 393.487 4.283 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC000455116047 822591115 /nfs/dbraw/zinc/59/11/15/822591115.db2.gz JNFCCGKWIVFJIU-QGZVFWFLSA-N 0 0 377.488 4.355 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179993409 822592406 /nfs/dbraw/zinc/59/24/06/822592406.db2.gz RRHSBFUNONBEMC-BMIGLBTASA-N 0 0 398.816 4.200 20 30 GIEDRN N#Cc1ccc(N2CCC[C@@H](Nc3cccc(Oc4ccccn4)c3)C2=O)cc1 ZINC000179997062 822592885 /nfs/dbraw/zinc/59/28/85/822592885.db2.gz ZRDIEHUZRIXQRJ-OAQYLSRUSA-N 0 0 384.439 4.353 20 30 GIEDRN C[C@H](Cc1nc2ccccc2s1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455126775 822593159 /nfs/dbraw/zinc/59/31/59/822593159.db2.gz OQHRGEOFFSJATA-OAHLLOKOSA-N 0 0 377.513 4.484 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180015132 822597008 /nfs/dbraw/zinc/59/70/08/822597008.db2.gz ZFSSOKZXGUIMHW-VYDXJSESSA-N 0 0 385.489 4.159 20 30 GIEDRN CCCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000455153843 822598272 /nfs/dbraw/zinc/59/82/72/822598272.db2.gz WFDYDLZMJOWTQG-VQIMIIECSA-N 0 0 380.496 4.352 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455164394 822600201 /nfs/dbraw/zinc/60/02/01/822600201.db2.gz IYIWOZZXEDAYAG-SFHVURJKSA-N 0 0 377.448 4.321 20 30 GIEDRN COC(=O)C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000180027791 822600250 /nfs/dbraw/zinc/60/02/50/822600250.db2.gz QEXRAADPUGIKEI-INIZCTEOSA-N 0 0 391.349 4.003 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000455170434 822601145 /nfs/dbraw/zinc/60/11/45/822601145.db2.gz RZAYZJUNDLYANE-KRWDZBQOSA-N 0 0 386.402 4.241 20 30 GIEDRN N#CCSc1cccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000184247444 822602292 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C[C@H](C#N)Oc1ccccc1NC(=O)NCCc1ccccc1OC(F)(F)F ZINC000180068329 822608539 /nfs/dbraw/zinc/60/85/39/822608539.db2.gz FNCVKFHERUYEDL-CYBMUJFWSA-N 0 0 393.365 4.240 20 30 GIEDRN N#CCCC[C@H](NC(=O)NCc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000455207832 822608801 /nfs/dbraw/zinc/60/88/01/822608801.db2.gz ROCMUOPGGPEGEZ-INIZCTEOSA-N 0 0 376.382 4.335 20 30 GIEDRN CCCN(CC1CC1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047782892 822609000 /nfs/dbraw/zinc/60/90/00/822609000.db2.gz AKDHWMPSSHRLFR-UHFFFAOYSA-N 0 0 387.534 4.356 20 30 GIEDRN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000180073254 822609925 /nfs/dbraw/zinc/60/99/25/822609925.db2.gz CYLXRJVUULKSSD-UHFFFAOYSA-N 0 0 388.370 4.367 20 30 GIEDRN CCCc1c(NC(=O)N(C)Cc2occc2C)cnn1-c1cccc(C#N)c1 ZINC000455223818 822611832 /nfs/dbraw/zinc/61/18/32/822611832.db2.gz IDMSRNKJFWDQHM-UHFFFAOYSA-N 0 0 377.448 4.262 20 30 GIEDRN C[C@H](NC(=O)N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(C)(F)F ZINC000455223822 822611896 /nfs/dbraw/zinc/61/18/96/822611896.db2.gz GNYZEEJKJJUURQ-XVKPBYJWSA-N 0 0 376.272 4.234 20 30 GIEDRN C=CCn1c(SCc2ncnn2CC(C)C)nnc1-c1cccc(Cl)c1 ZINC000180085818 822612282 /nfs/dbraw/zinc/61/22/82/822612282.db2.gz WBPQEOXSJQKVHQ-UHFFFAOYSA-N 0 0 388.928 4.324 20 30 GIEDRN CCCc1c(NC(=O)NCCOC(C)(C)CC)cnn1-c1cccc(C#N)c1 ZINC000455225513 822612447 /nfs/dbraw/zinc/61/24/47/822612447.db2.gz JWCPSMOJWJFUBK-UHFFFAOYSA-N 0 0 383.496 4.023 20 30 GIEDRN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180088025 822612700 /nfs/dbraw/zinc/61/27/00/822612700.db2.gz NUXLSFGZFPXSNG-FXAWDEMLSA-N 0 0 381.476 4.028 20 30 GIEDRN N#C[C@H](COC(=O)c1cccc(-c2noc(C3CC3)n2)c1)Cc1cccs1 ZINC000180087355 822612708 /nfs/dbraw/zinc/61/27/08/822612708.db2.gz HXLPCZZRJAOYGA-CYBMUJFWSA-N 0 0 379.441 4.215 20 30 GIEDRN CCCc1c(NC(=O)NCCCC(C)(F)F)cnn1-c1cccc(C#N)c1 ZINC000455232177 822613610 /nfs/dbraw/zinc/61/36/10/822613610.db2.gz SEOSHCUCVDYWAT-UHFFFAOYSA-N 0 0 375.423 4.253 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 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N#CCN1CCC(OC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000120938022 823089539 /nfs/dbraw/zinc/08/95/39/823089539.db2.gz LNNSTNLJZAKWHR-UHFFFAOYSA-N 0 0 392.427 4.161 20 30 GIEDRN CC(C)(C)OC(=O)C1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458807976 823089683 /nfs/dbraw/zinc/08/96/83/823089683.db2.gz YKYVQXLRCLWWAQ-LJQANCHMSA-N 0 0 385.508 4.185 20 30 GIEDRN C[C@@H](Nc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCc1cccs1 ZINC000056153485 823090199 /nfs/dbraw/zinc/09/01/99/823090199.db2.gz YWAUCQZHUMXPHG-MRXNPFEDSA-N 0 0 391.496 4.316 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1ccccc1 ZINC000458832768 823094228 /nfs/dbraw/zinc/09/42/28/823094228.db2.gz IHBXPLKXIXJOBK-VWNXMTODSA-N 0 0 391.515 4.157 20 30 GIEDRN CC(C)OCCOC1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458841591 823096320 /nfs/dbraw/zinc/09/63/20/823096320.db2.gz OSNMZRCQINQTBM-NRFANRHFSA-N 0 0 387.524 4.037 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000187602957 823096479 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CC(=O)N[C@H](CC(=O)Nc1cc(C#N)ccc1OC(C)C)c1ccc(Cl)cc1 ZINC000056212801 823104603 /nfs/dbraw/zinc/10/46/03/823104603.db2.gz IMVSFPFFMZAPCR-GOSISDBHSA-N 0 0 399.878 4.205 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000056213299 823104997 /nfs/dbraw/zinc/10/49/97/823104997.db2.gz RWEAZNXFXYKEBF-RDTXWAMCSA-N 0 0 377.444 4.192 20 30 GIEDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000056213291 823105089 /nfs/dbraw/zinc/10/50/89/823105089.db2.gz PITMOXFADULTEZ-CQSZACIVSA-N 0 0 397.500 4.423 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000056213875 823105378 /nfs/dbraw/zinc/10/53/78/823105378.db2.gz PCAMBCWQHWUEAL-UHFFFAOYSA-N 0 0 380.835 4.437 20 30 GIEDRN CCN(C(=O)CCC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222185 823106120 /nfs/dbraw/zinc/10/61/20/823106120.db2.gz DAXPYYLZTOETMF-INIZCTEOSA-N 0 0 394.471 4.148 20 30 GIEDRN C=CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000176048700 823106473 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CCC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)OC ZINC000458936610 823108876 /nfs/dbraw/zinc/10/88/76/823108876.db2.gz INTCGLBXCDBNEM-NRFANRHFSA-N 0 0 383.467 4.224 20 30 GIEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000121055493 823109937 /nfs/dbraw/zinc/10/99/37/823109937.db2.gz LMJGMYLXXYYZHO-FHSNZYRGSA-N 0 0 389.908 4.062 20 30 GIEDRN N#CCSc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000176064268 823110550 /nfs/dbraw/zinc/11/05/50/823110550.db2.gz ZLSGXGSHHZAGNW-QGZVFWFLSA-N 0 0 382.460 4.176 20 30 GIEDRN N#Cc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cnc1C(F)(F)F ZINC000570948273 823111037 /nfs/dbraw/zinc/11/10/37/823111037.db2.gz NUYKHRQKKCQVKG-GWCFXTLKSA-N 0 0 383.732 4.050 20 30 GIEDRN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000056248352 823111640 /nfs/dbraw/zinc/11/16/40/823111640.db2.gz JWSOITHTVDAYBQ-UHFFFAOYSA-N 0 0 392.436 4.006 20 30 GIEDRN C[S@](=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000056248418 823111647 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C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(Br)cc1F ZINC000571004264 823118646 /nfs/dbraw/zinc/11/86/46/823118646.db2.gz JCADSMYJVHQXNH-GFCCVEGCSA-N 0 0 387.252 4.369 20 30 GIEDRN C[C@@H]1CN(C(=O)c2ccc(NCc3ccc(Cl)cc3C#N)cc2)C[C@@H](C)O1 ZINC000187725232 823120345 /nfs/dbraw/zinc/12/03/45/823120345.db2.gz YEMTXQMUADSKJZ-HUUCEWRRSA-N 0 0 383.879 4.073 20 30 GIEDRN C=C(C)[C@H](NC(=O)NCCCc1nc(C(C)C)no1)c1ccc(F)c(F)c1 ZINC000187730657 823121136 /nfs/dbraw/zinc/12/11/36/823121136.db2.gz OISURDWDEXVQDJ-KRWDZBQOSA-N 0 0 378.423 4.020 20 30 GIEDRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)s1 ZINC000121117900 823121578 /nfs/dbraw/zinc/12/15/78/823121578.db2.gz LKCBBRLUXPBFIA-UHFFFAOYSA-N 0 0 383.517 4.131 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000187736082 823122237 /nfs/dbraw/zinc/12/22/37/823122237.db2.gz YDAFTDHINQRXSB-UHFFFAOYSA-N 0 0 397.425 4.055 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 ZINC000056300303 823123189 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N#Cc1cccc(S(=O)(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 ZINC000032596835 820975246 /nfs/dbraw/zinc/97/52/46/820975246.db2.gz UCXMVYATAVYKJV-UHFFFAOYSA-N 0 0 382.416 4.077 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H](C)c1c(F)cccc1F ZINC000460810593 823519005 /nfs/dbraw/zinc/51/90/05/823519005.db2.gz DNBJNHAKBOBYLV-LSDHHAIUSA-N 0 0 394.466 4.054 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000032616170 820977533 /nfs/dbraw/zinc/97/75/33/820977533.db2.gz IZFRVYQZYMIINE-UHFFFAOYSA-N 0 0 386.411 4.482 20 30 GIEDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000032617662 820978164 /nfs/dbraw/zinc/97/81/64/820978164.db2.gz UJVKDHFBHJKOEO-UHFFFAOYSA-N 0 0 399.454 4.416 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(F)cccc1-n1cccn1 ZINC000410860655 823519325 /nfs/dbraw/zinc/51/93/25/823519325.db2.gz QKMZLQNFDMWIPV-UHFFFAOYSA-N 0 0 381.455 4.007 20 30 GIEDRN Cc1cccc(N2C[C@@H](C(=O)[C@H](C#N)c3nc(C(C)C)cs3)CC2=O)c1C ZINC000177743901 823519387 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CC(C)(C)c1csc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c1C#N ZINC000410929317 823522690 /nfs/dbraw/zinc/52/26/90/823522690.db2.gz MSOJCVKLGRKNKV-UHFFFAOYSA-N 0 0 397.500 4.062 20 30 GIEDRN COc1cccc(C2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000177766378 823522807 /nfs/dbraw/zinc/52/28/07/823522807.db2.gz SDROPUISJDEEBL-UHFFFAOYSA-N 0 0 378.472 4.130 20 30 GIEDRN CO[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[C@@H]1C ZINC000189992879 823522927 /nfs/dbraw/zinc/52/29/27/823522927.db2.gz BFXOJDCFVMDTQK-JTSKRJEESA-N 0 0 393.487 4.220 20 30 GIEDRN CCc1cnc(CN(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000177766972 823522975 /nfs/dbraw/zinc/52/29/75/823522975.db2.gz SNYAKOZVLNKXOR-CQSZACIVSA-N 0 0 388.562 4.028 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1C#N ZINC000410931063 823523078 /nfs/dbraw/zinc/52/30/78/823523078.db2.gz SJSUMQGABKFKNR-UHFFFAOYSA-N 0 0 395.528 4.408 20 30 GIEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSC1CCCC1)CCCC2 ZINC000033143965 821038195 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CCN(C(=O)CCc1nnc(-c2ccsc2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000045501087 822391487 /nfs/dbraw/zinc/39/14/87/822391487.db2.gz RFJLFDAJZPMRNF-CQSZACIVSA-N 0 0 380.473 4.212 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)c1cc(I)c(F)cc1F ZINC000178582301 822393938 /nfs/dbraw/zinc/39/39/38/822393938.db2.gz FCNMBXNLRKHPNZ-UHFFFAOYSA-N 0 0 398.150 4.002 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000178584455 822394178 /nfs/dbraw/zinc/39/41/78/822394178.db2.gz HFBSEZUKFQNKOH-UHFFFAOYSA-N 0 0 391.450 4.492 20 30 GIEDRN CCOc1cccc([C@H](C)NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1 ZINC000453633433 822396187 /nfs/dbraw/zinc/39/61/87/822396187.db2.gz GPMJSWMKGDHFBW-ZDUSSCGKSA-N 0 0 399.516 4.132 20 30 GIEDRN C[C@@H](CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000453634353 822396272 /nfs/dbraw/zinc/39/62/72/822396272.db2.gz ZCVZFSMJWPJJIQ-AWEZNQCLSA-N 0 0 383.517 4.166 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000178625373 822397340 /nfs/dbraw/zinc/39/73/40/822397340.db2.gz 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C=CCn1c(S[C@H](C)C(=O)N[C@@H](C)CC)nnc1-c1cccc(Cl)c1 ZINC000178658059 822400213 /nfs/dbraw/zinc/40/02/13/822400213.db2.gz IJLPJZHVGUQWGC-QWHCGFSZSA-N 0 0 378.929 4.180 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CC)nnc1-c1cccc(Cl)c1 ZINC000178658083 822400337 /nfs/dbraw/zinc/40/03/37/822400337.db2.gz IJLPJZHVGUQWGC-STQMWFEESA-N 0 0 378.929 4.180 20 30 GIEDRN CCSc1cccc(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1 ZINC000453701209 822401719 /nfs/dbraw/zinc/40/17/19/822401719.db2.gz BYXKMANMOOHWOL-UHFFFAOYSA-N 0 0 397.500 4.425 20 30 GIEDRN N#CCc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000453707578 822402720 /nfs/dbraw/zinc/40/27/20/822402720.db2.gz CCVXTQRVOBACLR-LJQANCHMSA-N 0 0 381.863 4.098 20 30 GIEDRN Cc1ccc(NC(=O)C(=O)Nc2cccc(CC#N)c2)cc1OCCC(C)C ZINC000453710702 822403198 /nfs/dbraw/zinc/40/31/98/822403198.db2.gz FQWPSWNCYOYYKG-UHFFFAOYSA-N 0 0 379.460 4.063 20 30 GIEDRN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000178689586 822403201 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N#CCC[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000178765568 822408037 /nfs/dbraw/zinc/40/80/37/822408037.db2.gz OFEYYZNWEUCXFJ-HXUWFJFHSA-N 0 0 378.501 4.136 20 30 GIEDRN CC(C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000453761672 822408201 /nfs/dbraw/zinc/40/82/01/822408201.db2.gz LHVHJJUEGIFAJH-HXUWFJFHSA-N 0 0 391.471 4.015 20 30 GIEDRN C[C@H](Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccc(OCC#N)cc1 ZINC000182998722 822408299 /nfs/dbraw/zinc/40/82/99/822408299.db2.gz DSOOENRLCHMHJK-KRWDZBQOSA-N 0 0 386.455 4.087 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)Nc1ccccc1N1CCCCC1 ZINC000183010691 822410872 /nfs/dbraw/zinc/41/08/72/822410872.db2.gz SBEVYNAIERMMPS-UHFFFAOYSA-N 0 0 394.475 4.218 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)C(=O)NCC[C@@H]2CCc3ccccc32)c1C#N ZINC000453810557 822412971 /nfs/dbraw/zinc/41/29/71/822412971.db2.gz LMJQFSAQPUQUBU-HNNXBMFYSA-N 0 0 395.528 4.092 20 30 GIEDRN CC[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000178821332 822413911 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N#Cc1ccc(Oc2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc2)cc1 ZINC000183076456 822421368 /nfs/dbraw/zinc/42/13/68/822421368.db2.gz XYRHKQJSMZSFFN-IBGZPJMESA-N 0 0 388.431 4.228 20 30 GIEDRN CCc1ccc(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1OC ZINC000453995707 822421531 /nfs/dbraw/zinc/42/15/31/822421531.db2.gz BNGVSDJLOLCMPH-AWEZNQCLSA-N 0 0 397.500 4.229 20 30 GIEDRN CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000045884634 822421719 /nfs/dbraw/zinc/42/17/19/822421719.db2.gz KSCLILFLPMYUAR-HNAYVOBHSA-N 0 0 376.460 4.105 20 30 GIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(NC(=O)C2CC2)c1 ZINC000045893055 822422356 /nfs/dbraw/zinc/42/23/56/822422356.db2.gz GMNFGBQGQOZBLZ-UHFFFAOYSA-N 0 0 381.435 4.082 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1Cl ZINC000454021215 822423147 /nfs/dbraw/zinc/42/31/47/822423147.db2.gz IAZNTQPOEMWJGP-QFBILLFUSA-N 0 0 395.890 4.240 20 30 GIEDRN N#Cc1ccsc1NC(=O)CN(Cc1csc(Br)c1)C1CC1 ZINC000178948917 822423980 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20 30 GIEDRN N#Cc1ccccc1N1CCCN(C(=O)Nc2ccccc2Br)CC1 ZINC000045949129 822426256 /nfs/dbraw/zinc/42/62/56/822426256.db2.gz RQDFMGWIVZTDFU-UHFFFAOYSA-N 0 0 399.292 4.065 20 30 GIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)C1=CCCC1 ZINC000454091818 822428470 /nfs/dbraw/zinc/42/84/70/822428470.db2.gz RGOCZABATCFOPJ-OAHLLOKOSA-N 0 0 385.533 4.272 20 30 GIEDRN N#CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000454102787 822429409 /nfs/dbraw/zinc/42/94/09/822429409.db2.gz NPEVIMLTXQSBSO-PXNSSMCTSA-N 0 0 395.890 4.187 20 30 GIEDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1C#N ZINC000179021007 822430805 /nfs/dbraw/zinc/43/08/05/822430805.db2.gz YSZYKPIZEQZMKN-UHFFFAOYSA-N 0 0 393.487 4.066 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000454115188 822430850 /nfs/dbraw/zinc/43/08/50/822430850.db2.gz WFCMHHCFAHDOEE-MJGOQNOKSA-N 0 0 395.890 4.301 20 30 GIEDRN CC(C)[C@H]1N(C(=O)C(=O)Nc2ccccc2SCCC#N)CC12CCCC2 ZINC000454115167 822430903 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C=CCc1cc(CNS(=O)(=O)c2cccc(C(C)C)c2)cc(OC)c1OC ZINC000462264093 823904860 /nfs/dbraw/zinc/90/48/60/823904860.db2.gz UIAMIYXRYBHVAR-UHFFFAOYSA-N 0 0 389.517 4.034 20 30 GIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000575074855 823905001 /nfs/dbraw/zinc/90/50/01/823905001.db2.gz LEXGTNUTYZYCHW-UHFFFAOYSA-N 0 0 382.352 4.443 20 30 GIEDRN N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000126583987 823905602 /nfs/dbraw/zinc/90/56/02/823905602.db2.gz DQTXQXBHMIISFD-GFCCVEGCSA-N 0 0 382.338 4.241 20 30 GIEDRN COc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1Oc1ccc(C)nn1 ZINC000462268877 823906767 /nfs/dbraw/zinc/90/67/67/823906767.db2.gz LMEDXNSSCADCII-HNNXBMFYSA-N 0 0 388.427 4.200 20 30 GIEDRN COc1cc(CNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)ccc1C#N ZINC000462269259 823907185 /nfs/dbraw/zinc/90/71/85/823907185.db2.gz MZOOTACJUFWNIY-UHFFFAOYSA-N 0 0 399.441 4.499 20 30 GIEDRN CCc1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n[nH]1 ZINC000192225973 823908566 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C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000170698384 823944766 /nfs/dbraw/zinc/94/47/66/823944766.db2.gz YBQKPLCXNQVSSH-UHFFFAOYSA-N 0 0 396.871 4.305 20 30 GIEDRN N#Cc1ccc(C2=N/C(=C/c3csc(-c4ccc(F)cc4)n3)C(=O)O2)cc1 ZINC000170699350 823945192 /nfs/dbraw/zinc/94/51/92/823945192.db2.gz HZHZMROPPJLMBA-RQZCQDPDSA-N 0 0 375.384 4.165 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000170705168 823947705 /nfs/dbraw/zinc/94/77/05/823947705.db2.gz GDENMKUSEFUSNI-UHFFFAOYSA-N 0 0 382.485 4.477 20 30 GIEDRN C=CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1cccc(C)c1 ZINC000126780057 823949551 /nfs/dbraw/zinc/94/95/51/823949551.db2.gz XPUWAFPPOCHZIN-IBGZPJMESA-N 0 0 376.485 4.137 20 30 GIEDRN N#CCOc1ccccc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000170713121 823951376 /nfs/dbraw/zinc/95/13/76/823951376.db2.gz NWJYAKCQUGQULY-UHFFFAOYSA-N 0 0 397.862 4.121 20 30 GIEDRN N#Cc1ccc(CC(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000170713209 823951481 /nfs/dbraw/zinc/95/14/81/823951481.db2.gz 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CCOc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000060500160 823535028 /nfs/dbraw/zinc/53/50/28/823535028.db2.gz FFPCXQFMMQQGDA-UHFFFAOYSA-N 0 0 394.412 4.241 20 30 GIEDRN COc1cccc(C(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)c1[N+](=O)[O-] ZINC000411022388 823535115 /nfs/dbraw/zinc/53/51/15/823535115.db2.gz XOUALIPVPHOJTO-WDEREUQCSA-N 0 0 385.445 4.475 20 30 GIEDRN N#C[C@H](C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 ZINC000041494227 821198399 /nfs/dbraw/zinc/19/83/99/821198399.db2.gz MXEJDYLUMRBTMW-GOSISDBHSA-N 0 0 398.397 4.444 20 30 GIEDRN N#C[C@H](C(=O)c1cccc(NC(=O)c2cccs2)c1)c1nc2ccccc2[nH]1 ZINC000041496334 821199278 /nfs/dbraw/zinc/19/92/78/821199278.db2.gz ACNOUBILCFKUMC-OAHLLOKOSA-N 0 0 386.436 4.367 20 30 GIEDRN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc21 ZINC000410992993 823530316 /nfs/dbraw/zinc/53/03/16/823530316.db2.gz XYMZXFWIWNEAPS-VBQJREDUSA-N 0 0 388.496 4.498 20 30 GIEDRN Cc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1 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C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180918115 821537323 /nfs/dbraw/zinc/53/73/23/821537323.db2.gz RWKODCQICQKEFB-INIZCTEOSA-N 0 0 383.517 4.173 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000180930991 821544172 /nfs/dbraw/zinc/54/41/72/821544172.db2.gz ZYEXZTQNHVWSAM-CQSZACIVSA-N 0 0 397.441 4.105 20 30 GIEDRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1cccc(C#N)c1 ZINC000180938758 821547827 /nfs/dbraw/zinc/54/78/27/821547827.db2.gz XYKYVWKAMRVSBR-UHFFFAOYSA-N 0 0 385.345 4.471 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000180950965 821553066 /nfs/dbraw/zinc/55/30/66/821553066.db2.gz SOFJCQHUHGBETI-MRXNPFEDSA-N 0 0 377.444 4.150 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000044243203 821553306 /nfs/dbraw/zinc/55/33/06/821553306.db2.gz RFHNCNYVIODVNZ-UHFFFAOYSA-N 0 0 382.851 4.002 20 30 GIEDRN Cc1cc(C(=O)N(CC#N)C2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000180957673 821556094 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C[C@H]1C[C@H]1c1ccc(CN(CC(=O)N(CCC#N)c2ccccc2)C2CC2)o1 ZINC000048055589 822627860 /nfs/dbraw/zinc/62/78/60/822627860.db2.gz RWPKLMCYOLRDLU-LAUBAEHRSA-N 0 0 377.488 4.314 20 30 GIEDRN CCc1c(NC(=O)N(C)CC(C)(C)C#N)cnn1-c1cccc(C(F)(F)F)c1 ZINC000455288450 822628373 /nfs/dbraw/zinc/62/83/73/822628373.db2.gz VPDRCUBHKBCLIN-UHFFFAOYSA-N 0 0 393.413 4.467 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)CCCC(=O)c2ccc(C)cc2)cc1 ZINC000184408791 822629831 /nfs/dbraw/zinc/62/98/31/822629831.db2.gz ICPOLISGNDFJAU-UHFFFAOYSA-N 0 0 379.460 4.294 20 30 GIEDRN CCC[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000455301647 822630960 /nfs/dbraw/zinc/63/09/60/822630960.db2.gz LOCVWBUSIPDJDO-IBGZPJMESA-N 0 0 384.524 4.133 20 30 GIEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)N(CC)C(C)C)c1 ZINC000455307203 822631698 /nfs/dbraw/zinc/63/16/98/822631698.db2.gz UMZLFKYWSKZWIE-MSOLQXFVSA-N 0 0 393.915 4.066 20 30 GIEDRN C=C(C)CCNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000455305685 822631725 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CCNC(=O)N(C)c1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000455352801 822638772 /nfs/dbraw/zinc/63/87/72/822638772.db2.gz NASJCPKDAKLNRF-FQEVSTJZSA-N 0 0 393.491 4.409 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000184462458 822639836 /nfs/dbraw/zinc/63/98/36/822639836.db2.gz RQIRPSQHLLCARE-MRXNPFEDSA-N 0 0 382.460 4.113 20 30 GIEDRN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184462644 822640055 /nfs/dbraw/zinc/64/00/55/822640055.db2.gz FAWKFQJFKQFZKH-WMLDXEAASA-N 0 0 382.533 4.158 20 30 GIEDRN CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000455361224 822640486 /nfs/dbraw/zinc/64/04/86/822640486.db2.gz VMYNVJPZPSQOPY-IBGZPJMESA-N 0 0 378.476 4.072 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000048159714 822640929 /nfs/dbraw/zinc/64/09/29/822640929.db2.gz XKZQJIMRWDBQOI-KRWDZBQOSA-N 0 0 385.464 4.100 20 30 GIEDRN Cn1cc(CNc2cccc(OC[C@H]3CCCO3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180215950 822640996 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C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CCc1nccs1)C(C)C ZINC000574322146 823702662 /nfs/dbraw/zinc/70/26/62/823702662.db2.gz KPHMZMHLHFYRKT-GOSISDBHSA-N 0 0 395.532 4.054 20 30 GIEDRN CN(C(=O)CNc1ccc(C(=O)Nc2ccccc2)cc1)C1(C#N)CCCCC1 ZINC000063888913 823705810 /nfs/dbraw/zinc/70/58/10/823705810.db2.gz FGSZMQATSSYARP-UHFFFAOYSA-N 0 0 390.487 4.036 20 30 GIEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCO1 ZINC000461833072 823706663 /nfs/dbraw/zinc/70/66/63/823706663.db2.gz QGCMUZRXVHMJBX-HIFRSBDPSA-N 0 0 391.878 4.045 20 30 GIEDRN COc1cccc([C@H](C)C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c1 ZINC000125771598 823706984 /nfs/dbraw/zinc/70/69/84/823706984.db2.gz CQOLJSGEMLYVFL-AWEZNQCLSA-N 0 0 392.484 4.217 20 30 GIEDRN COc1ccc(Br)cc1[C@H]1CCCN1c1ncc(C#N)cc1F ZINC000413101617 823707288 /nfs/dbraw/zinc/70/72/88/823707288.db2.gz DEPZXPNLQZRSBP-OAHLLOKOSA-N 0 0 376.229 4.205 20 30 GIEDRN C=CCOc1ccc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)cc1OC ZINC000191598488 823708075 /nfs/dbraw/zinc/70/80/75/823708075.db2.gz 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CCC(CC)n1ncc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000163485552 823715014 /nfs/dbraw/zinc/71/50/14/823715014.db2.gz ASBAGTYTWISBLZ-UHFFFAOYSA-N 0 0 380.492 4.108 20 30 GIEDRN COc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)ccc1Cl ZINC000125805372 823715450 /nfs/dbraw/zinc/71/54/50/823715450.db2.gz YGXBMMYQPCVPCN-UHFFFAOYSA-N 0 0 398.875 4.380 20 30 GIEDRN COc1ccc(C)cc1C[S@](=O)Cc1cc(C#N)ccc1Br ZINC000191625479 823717542 /nfs/dbraw/zinc/71/75/42/823717542.db2.gz NAYPIEFJOBVVKF-JOCHJYFZSA-N 0 0 378.291 4.087 20 30 GIEDRN CC[C@@H](c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCO1)c1ccccc1 ZINC000461851964 823717882 /nfs/dbraw/zinc/71/78/82/823717882.db2.gz BRFOEIJSRWKJHZ-YZGWKJHDSA-N 0 0 381.524 4.127 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)/C=C/SCc2ccco2)c1C#N ZINC000125822097 823720074 /nfs/dbraw/zinc/72/00/74/823720074.db2.gz MJSCGSCEJFVNJH-PKNBQFBNSA-N 0 0 396.497 4.444 20 30 GIEDRN C[C@H](c1ccco1)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461855313 823720837 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N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000413213721 823729136 /nfs/dbraw/zinc/72/91/36/823729136.db2.gz YTSSDCBMSDTVPL-IEBWSBKVSA-N 0 0 376.353 4.334 20 30 GIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC000413213723 823729193 /nfs/dbraw/zinc/72/91/93/823729193.db2.gz YTSSDCBMSDTVPL-PKOBYXMFSA-N 0 0 376.353 4.334 20 30 GIEDRN CC(=O)c1c(C)nc(C)nc1SCc1cc(C#N)ccc1Br ZINC000191681358 823731859 /nfs/dbraw/zinc/73/18/59/823731859.db2.gz NANAYTPOHOPMSS-UHFFFAOYSA-N 0 0 376.279 4.223 20 30 GIEDRN C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)c1nnc2ccccn21 ZINC000125874801 823734632 /nfs/dbraw/zinc/73/46/32/823734632.db2.gz GTGFSIVSLJTGEY-QGZVFWFLSA-N 0 0 381.439 4.012 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCC2(CCO)CCC2)cc1F ZINC000125878644 823735044 /nfs/dbraw/zinc/73/50/44/823735044.db2.gz QDYNZMQCXNZULW-UHFFFAOYSA-N 0 0 383.423 4.164 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)c2cc(F)c(F)cc2F)c1C#N ZINC000125889839 823738241 /nfs/dbraw/zinc/73/82/41/823738241.db2.gz 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/nfs/dbraw/zinc/25/01/60/823250160.db2.gz ZDYWRPXOHQGCHA-KUHUBIRLSA-N 0 0 379.416 4.378 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000459689352 823250803 /nfs/dbraw/zinc/25/08/03/823250803.db2.gz IODYLXDLFSBJJH-CYBMUJFWSA-N 0 0 395.297 4.047 20 30 GIEDRN Cc1nc2cc(C(=O)Nc3ccc(C#N)c(C#N)c3)ccc2n1Cc1ccsc1 ZINC000409577526 823253146 /nfs/dbraw/zinc/25/31/46/823253146.db2.gz RPHKWSAGKOVCHK-UHFFFAOYSA-N 0 0 397.463 4.450 20 30 GIEDRN CCCN([C@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409580265 823253893 /nfs/dbraw/zinc/25/38/93/823253893.db2.gz FMNGXIHEPWGVJQ-QWHCGFSZSA-N 0 0 392.352 4.103 20 30 GIEDRN CCCN([C@H](C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409580261 823253898 /nfs/dbraw/zinc/25/38/98/823253898.db2.gz FMNGXIHEPWGVJQ-CHWSQXEVSA-N 0 0 392.352 4.103 20 30 GIEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000409580701 823254156 /nfs/dbraw/zinc/25/41/56/823254156.db2.gz NXGMRZVZCNYQLH-DLBZAZTESA-N 0 0 391.562 4.038 20 30 GIEDRN CN(C)C(=O)Nc1cccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000121801720 823254345 /nfs/dbraw/zinc/25/43/45/823254345.db2.gz WWXVRJIKCMQLDS-OAHLLOKOSA-N 0 0 391.258 4.082 20 30 GIEDRN CN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000121801555 823254417 /nfs/dbraw/zinc/25/44/17/823254417.db2.gz WWXVRJIKCMQLDS-HNNXBMFYSA-N 0 0 391.258 4.082 20 30 GIEDRN C=CC[C@@H]1N(C(=O)Nc2ccc(F)cc2N2CCOCC2)CCCC1(C)C ZINC000459708045 823254518 /nfs/dbraw/zinc/25/45/18/823254518.db2.gz IXDSWQURUKRMRP-IBGZPJMESA-N 0 0 375.488 4.261 20 30 GIEDRN N#CCCC[C@H](NC(=O)Nc1ccc(F)cc1N1CCOCC1)c1ccccc1 ZINC000459707083 823254526 /nfs/dbraw/zinc/25/45/26/823254526.db2.gz WIWNUQNQTYOHCT-IBGZPJMESA-N 0 0 396.466 4.219 20 30 GIEDRN Cc1ccc(NC(=O)C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)nc1 ZINC000121814053 823256525 /nfs/dbraw/zinc/25/65/25/823256525.db2.gz BORHRAVOZNAWEX-UHFFFAOYSA-N 0 0 388.393 4.136 20 30 GIEDRN Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000176647011 823256841 /nfs/dbraw/zinc/25/68/41/823256841.db2.gz RKMWYPRKYMDMKN-UHFFFAOYSA-N 0 0 376.363 4.291 20 30 GIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCOCCCC ZINC000409604005 823259470 /nfs/dbraw/zinc/25/94/70/823259470.db2.gz MEKVTZFPFZMVIG-UHFFFAOYSA-N 0 0 387.293 4.103 20 30 GIEDRN CC(C)(C#N)c1ccc(NC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000188538884 823259523 /nfs/dbraw/zinc/25/95/23/823259523.db2.gz QEEYGRAVXBFBRB-UHFFFAOYSA-N 0 0 399.441 4.281 20 30 GIEDRN N#Cc1ccc(N2CCC(C(=O)N(CC(F)F)c3ccccc3)CC2)c(F)c1 ZINC000571956383 823260083 /nfs/dbraw/zinc/26/00/83/823260083.db2.gz JPKIIGVBAGMPPK-UHFFFAOYSA-N 0 0 387.405 4.212 20 30 GIEDRN C#CCOc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002946186 817407523 /nfs/dbraw/zinc/40/75/23/817407523.db2.gz QMFGXNVTYMZJPZ-XDJHFCHBSA-N 0 0 379.506 4.143 20 30 GIEDRN COc1ccc(CC(=O)N(Cc2cccc(C#N)c2)c2ccc(F)cc2C)nc1 ZINC000571968323 823262348 /nfs/dbraw/zinc/26/23/48/823262348.db2.gz DAFUMMFCTUJJCO-UHFFFAOYSA-N 0 0 389.430 4.185 20 30 GIEDRN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C#N)cc3C)n2)c1 ZINC000121853980 823263668 /nfs/dbraw/zinc/26/36/68/823263668.db2.gz VDZFKGCMZZUCNE-UHFFFAOYSA-N 0 0 379.441 4.260 20 30 GIEDRN C[C@H](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1cccc(C(F)(F)F)c1 ZINC000121858632 823264461 /nfs/dbraw/zinc/26/44/61/823264461.db2.gz ZUZITGOSVFAYKM-CJNGLKHVSA-N 0 0 390.409 4.393 20 30 GIEDRN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(F)cc1 ZINC000003454802 817459492 /nfs/dbraw/zinc/45/94/92/817459492.db2.gz NVEQPOJMJANQFR-PBHICJAKSA-N 0 0 388.512 4.057 20 30 GIEDRN CCOc1cccc2cc([C@@H](C)N[C@H](C(=O)OC)c3cccc(C#N)c3)oc21 ZINC000176676809 823265141 /nfs/dbraw/zinc/26/51/41/823265141.db2.gz COAARPRQCDXFSQ-VLIAUNLRSA-N 0 0 378.428 4.268 20 30 GIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCc4c(Cl)c(Cl)ccc4C3)n2)c1 ZINC000409631490 823267351 /nfs/dbraw/zinc/26/73/51/823267351.db2.gz KVMUNKKDEIGCNF-UHFFFAOYSA-N 0 0 397.265 4.249 20 30 GIEDRN CC[C@H](C#N)Oc1cc(CNC(=O)/C(C)=C/c2ccc(F)cc2)ccc1OC ZINC000176685414 823267426 /nfs/dbraw/zinc/26/74/26/823267426.db2.gz VDIWCTJDVWHFAK-FERCGXDMSA-N 0 0 382.435 4.235 20 30 GIEDRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000459844437 823267758 /nfs/dbraw/zinc/26/77/58/823267758.db2.gz HLGPEUOXLZVJSX-HNNXBMFYSA-N 0 0 375.538 4.014 20 30 GIEDRN N#CCCn1cc(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c2ccccc21 ZINC000004246979 817512202 /nfs/dbraw/zinc/51/22/02/817512202.db2.gz WUERTAFLDOBZDR-UHFFFAOYSA-N 0 0 398.365 4.196 20 30 GIEDRN CCCCCCn1nc(C(=O)OCc2ccc(C#N)cc2)c2ccccc2c1=O ZINC000004286834 817517168 /nfs/dbraw/zinc/51/71/68/817517168.db2.gz UWWHOPIOTPEPMI-UHFFFAOYSA-N 0 0 389.455 4.205 20 30 GIEDRN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1Cl)CCCC2 ZINC000121891349 823271370 /nfs/dbraw/zinc/27/13/70/823271370.db2.gz KIGLMOGJUJAZBU-UHFFFAOYSA-N 0 0 375.856 4.355 20 30 GIEDRN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccc1C#N ZINC000005224752 817563664 /nfs/dbraw/zinc/56/36/64/817563664.db2.gz ALPWDYLGKLHYJE-IBGZPJMESA-N 0 0 384.863 4.100 20 30 GIEDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1ccccc1C#N ZINC000005231006 817564106 /nfs/dbraw/zinc/56/41/06/817564106.db2.gz CORTWRUXYQFCPZ-UHFFFAOYSA-N 0 0 379.847 4.430 20 30 GIEDRN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000005239640 817564176 /nfs/dbraw/zinc/56/41/76/817564176.db2.gz FHLQJVKLVWYYKO-UHFFFAOYSA-N 0 0 391.221 4.103 20 30 GIEDRN CC(=O)Nc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1F ZINC000121896028 823272255 /nfs/dbraw/zinc/27/22/55/823272255.db2.gz AIDXKSKYOREETE-UHFFFAOYSA-N 0 0 377.423 4.173 20 30 GIEDRN CN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000121898627 823272666 /nfs/dbraw/zinc/27/26/66/823272666.db2.gz ISDJGUYOOBTAOD-INIZCTEOSA-N 0 0 391.258 4.082 20 30 GIEDRN CCOc1ccccc1NC(=O)[C@H](C)Sc1nc2c(cc1C#N)CCCC2 ZINC000121908155 823274788 /nfs/dbraw/zinc/27/47/88/823274788.db2.gz OFBXVPDIFLEXGO-AWEZNQCLSA-N 0 0 381.501 4.350 20 30 GIEDRN N#CCSc1ccccc1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000005365818 817578171 /nfs/dbraw/zinc/57/81/71/817578171.db2.gz HOZDXXGVEUDMIC-UHFFFAOYSA-N 0 0 386.498 4.194 20 30 GIEDRN N#Cc1cc2c(nc1SCc1nc3ccc(Cl)cc3c(=O)[nH]1)CCCC2 ZINC000121905668 823274063 /nfs/dbraw/zinc/27/40/63/823274063.db2.gz PQQHKVYBWCZZFA-UHFFFAOYSA-N 0 0 382.876 4.014 20 30 GIEDRN C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 ZINC000572049650 823274180 /nfs/dbraw/zinc/27/41/80/823274180.db2.gz RRBLZIMBRHISSU-DZGCQCFKSA-N 0 0 378.929 4.199 20 30 GIEDRN C=CCn1c2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000005618768 817600405 /nfs/dbraw/zinc/60/04/05/817600405.db2.gz IKDOFIVZESHXJT-UHFFFAOYSA-N 0 0 394.500 4.280 20 30 GIEDRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2cccs2)nc1C ZINC000121928899 823278819 /nfs/dbraw/zinc/27/88/19/823278819.db2.gz DCUJIPKZRMDHSC-UHFFFAOYSA-N 0 0 377.469 4.287 20 30 GIEDRN N#CCSc1ccccc1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000005737901 817613275 /nfs/dbraw/zinc/61/32/75/817613275.db2.gz OYARGORUKQCZHM-UHFFFAOYSA-N 0 0 376.437 4.251 20 30 GIEDRN C[C@@H](OC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)N(CCC#N)c1ccccc1 ZINC000005773369 817615905 /nfs/dbraw/zinc/61/59/05/817615905.db2.gz GSXKHCZXHPVHQS-JKSUJKDBSA-N 0 0 396.512 4.365 20 30 GIEDRN C=CCNc1nnc(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000005785838 817617508 /nfs/dbraw/zinc/61/75/08/817617508.db2.gz FUSOCNABALBUDV-CQSZACIVSA-N 0 0 390.578 4.304 20 30 GIEDRN N#CCC(=O)Nc1ccc(C(=O)OCCOc2ccc(Cl)cc2Cl)cc1 ZINC000005812808 817620039 /nfs/dbraw/zinc/62/00/39/817620039.db2.gz BUSQULZXKXZKCN-UHFFFAOYSA-N 0 0 393.226 4.081 20 30 GIEDRN COc1ccc(N(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1Cl ZINC000121936997 823280401 /nfs/dbraw/zinc/28/04/01/823280401.db2.gz AGTHYVKDNBAHCI-HNNXBMFYSA-N 0 0 392.846 4.022 20 30 GIEDRN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(C#N)cc1 ZINC000005868702 817625848 /nfs/dbraw/zinc/62/58/48/817625848.db2.gz ORZUOMXDEYAMEA-UHFFFAOYSA-N 0 0 396.424 4.074 20 30 GIEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188648462 823279917 /nfs/dbraw/zinc/27/99/17/823279917.db2.gz BBIWCDMMHHSTBR-JTQLQIEISA-N 0 0 381.848 4.168 20 30 GIEDRN Cc1ccnc(-n2c(SCc3ccc(C#N)cc3)nc3ccccc3c2=O)c1 ZINC000005923547 817630563 /nfs/dbraw/zinc/63/05/63/817630563.db2.gz FPPBEOIMAVMGLU-UHFFFAOYSA-N 0 0 384.464 4.253 20 30 GIEDRN CC[C@H](NC(=O)CCOCC(F)(F)C(F)F)c1nc(C(F)(F)F)cs1 ZINC000188628176 823276026 /nfs/dbraw/zinc/27/60/26/823276026.db2.gz KSSGOFWFAOBHEF-ZETCQYMHSA-N 0 0 396.328 4.036 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1nc(C(F)(F)F)sc1=S ZINC000188651045 823280199 /nfs/dbraw/zinc/28/01/99/823280199.db2.gz IIJCKDPWYWATJB-UHFFFAOYSA-N 0 0 390.412 4.247 20 30 GIEDRN N#CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000006365317 817682835 /nfs/dbraw/zinc/68/28/35/817682835.db2.gz WZGLGBIMIQFIJF-UHFFFAOYSA-N 0 0 385.514 4.374 20 30 GIEDRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000006466610 817695972 /nfs/dbraw/zinc/69/59/72/817695972.db2.gz FOLIJRGZMHXMBK-SJORKVTESA-N 0 0 394.471 4.328 20 30 GIEDRN N#Cc1cnc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(Cl)c1 ZINC000460047329 823282048 /nfs/dbraw/zinc/28/20/48/823282048.db2.gz ZSRGZSZTVQKPKM-ZDUSSCGKSA-N 0 0 392.242 4.070 20 30 GIEDRN CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000006541640 817702960 /nfs/dbraw/zinc/70/29/60/817702960.db2.gz ODJWTQXHBRTPJZ-UHFFFAOYSA-N 0 0 377.227 4.475 20 30 GIEDRN CC(=O)N[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C(C)(C)C ZINC000460052711 823282269 /nfs/dbraw/zinc/28/22/69/823282269.db2.gz TVMMQDRFQPLSHP-HXUWFJFHSA-N 0 0 379.460 4.148 20 30 GIEDRN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000006638521 817713931 /nfs/dbraw/zinc/71/39/31/817713931.db2.gz ROWPBWSKTOIVSS-MRXNPFEDSA-N 0 0 376.412 4.046 20 30 GIEDRN Cc1cncc(C=CC(=O)[C@H](C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000121948197 823283187 /nfs/dbraw/zinc/28/31/87/823283187.db2.gz MYTWQARGHGXQMM-BGGTUALNSA-N 0 0 387.411 4.066 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176746735 823283346 /nfs/dbraw/zinc/28/33/46/823283346.db2.gz VPNIOADAGVEEFJ-MRXNPFEDSA-N 0 0 378.432 4.234 20 30 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Cc1ccc(C#N)cc1NC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000058452533 823393732 /nfs/dbraw/zinc/39/37/32/823393732.db2.gz MKJCHAXBEKRJPB-UHFFFAOYSA-N 0 0 397.788 4.168 20 30 GIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410100523 823391536 /nfs/dbraw/zinc/39/15/36/823391536.db2.gz KMQBUQAVHIRBOS-RHSMWYFYSA-N 0 0 385.401 4.474 20 30 GIEDRN O=C(NCC1CCC(F)(F)CC1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000410101006 823391688 /nfs/dbraw/zinc/39/16/88/823391688.db2.gz RHPBNEVEKGOTRE-UHFFFAOYSA-N 0 0 382.295 4.338 20 30 GIEDRN N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000189327173 823394966 /nfs/dbraw/zinc/39/49/66/823394966.db2.gz GNTXPVGQUCSOKI-MISYRCLQSA-N 0 0 378.497 4.148 20 30 GIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189331392 823395397 /nfs/dbraw/zinc/39/53/97/823395397.db2.gz VLPDGJIKBJIBQH-CTNGQTDRSA-N 0 0 389.499 4.195 20 30 GIEDRN CC(C)n1cnnc1[C@@H]1CCCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000572771003 823396016 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C=CC[C@H](CC)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000410138189 823399822 /nfs/dbraw/zinc/39/98/22/823399822.db2.gz DGHVYVPKVQCWHY-MSOLQXFVSA-N 0 0 394.515 4.172 20 30 GIEDRN COc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc(OC)c1C ZINC000058499024 823400442 /nfs/dbraw/zinc/40/04/42/823400442.db2.gz FLGVKDDVHBCZOX-UHFFFAOYSA-N 0 0 392.377 4.089 20 30 GIEDRN C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](c2ccco2)C1 ZINC000410143060 823400692 /nfs/dbraw/zinc/40/06/92/823400692.db2.gz ASUPHRRHRYSTQB-BLLLJJGKSA-N 0 0 398.406 4.332 20 30 GIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)o1 ZINC000189362882 823401093 /nfs/dbraw/zinc/40/10/93/823401093.db2.gz ASAIRACZKZAQKK-OAQYLSRUSA-N 0 0 392.503 4.119 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000460498195 823408605 /nfs/dbraw/zinc/40/86/05/823408605.db2.gz OXFWNKLANLHWGG-QZTJIDSGSA-N 0 0 397.441 4.085 20 30 GIEDRN N#CCOc1ccc(CC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000122757990 823406945 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C=CCN(CCc1ccccc1)C(=O)NCc1sccc1Br ZINC000058586849 823413178 /nfs/dbraw/zinc/41/31/78/823413178.db2.gz RDGKRPSDEKTIIU-UHFFFAOYSA-N 0 0 379.323 4.451 20 30 GIEDRN N#Cc1cc(NC(=O)NCCc2cccc(F)c2)ccc1OCC(F)(F)F ZINC000058559790 823409457 /nfs/dbraw/zinc/40/94/57/823409457.db2.gz GOACMYARYKYZRF-UHFFFAOYSA-N 0 0 381.329 4.003 20 30 GIEDRN C=CCn1c(SCCCO)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000122775689 823410528 /nfs/dbraw/zinc/41/05/28/823410528.db2.gz OSAVNFNMZDALQF-UHFFFAOYSA-N 0 0 390.505 4.233 20 30 GIEDRN C=CCn1c(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nnc1-c1ccco1 ZINC000122802494 823415063 /nfs/dbraw/zinc/41/50/63/823415063.db2.gz NQGLMBGEFQNVIF-NVXWUHKLSA-N 0 0 388.537 4.242 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC ZINC000177270971 823416430 /nfs/dbraw/zinc/41/64/30/823416430.db2.gz PGIBJDYKDVEVHO-UHFFFAOYSA-N 0 0 395.503 4.050 20 30 GIEDRN C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000572902698 823417217 /nfs/dbraw/zinc/41/72/17/823417217.db2.gz 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CCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)C(C)C ZINC000122828836 823419649 /nfs/dbraw/zinc/41/96/49/823419649.db2.gz RLFFMJVXFGJADG-MRXNPFEDSA-N 0 0 379.460 4.182 20 30 GIEDRN CCN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000572923383 823420469 /nfs/dbraw/zinc/42/04/69/823420469.db2.gz YGEVSMFKRSRYIA-OAQYLSRUSA-N 0 0 377.488 4.293 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1sccc1Br ZINC000058636802 823421302 /nfs/dbraw/zinc/42/13/02/823421302.db2.gz LHISRBHZHGWEFK-UHFFFAOYSA-N 0 0 394.294 4.491 20 30 GIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000572946161 823425006 /nfs/dbraw/zinc/42/50/06/823425006.db2.gz KHPTZSSTKMYNEB-IBGZPJMESA-N 0 0 386.411 4.012 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC=C(c2cccc(Cl)c2)CC1 ZINC000460551463 823429260 /nfs/dbraw/zinc/42/92/60/823429260.db2.gz MWBJMXMHAKOYLH-GOSISDBHSA-N 0 0 384.911 4.305 20 30 GIEDRN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189476573 823425488 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Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189489134 823428822 /nfs/dbraw/zinc/42/88/22/823428822.db2.gz NHDUJIDAKFLGMM-GOSISDBHSA-N 0 0 393.918 4.194 20 30 GIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)=C(C)C1 ZINC000460551261 823428893 /nfs/dbraw/zinc/42/88/93/823428893.db2.gz YECGGNPBDXSFOX-UHFFFAOYSA-N 0 0 376.302 4.158 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1ccccc1)CC1CCOCC1 ZINC000460550862 823428922 /nfs/dbraw/zinc/42/89/22/823428922.db2.gz IMFUAVXEAGNWLZ-UHFFFAOYSA-N 0 0 391.519 4.283 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000460551543 823429173 /nfs/dbraw/zinc/42/91/73/823429173.db2.gz DPENZFVTGIQDQV-SFHVURJKSA-N 0 0 393.491 4.208 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)COCCc3ccccc3)c2)c1 ZINC000058684405 823429980 /nfs/dbraw/zinc/42/99/80/823429980.db2.gz DTCNUUYQGLZYRS-UHFFFAOYSA-N 0 0 386.451 4.335 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCO[C@H]2CCC[C@H]21 ZINC000460553742 823430151 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CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000181535715 821871270 /nfs/dbraw/zinc/87/12/70/821871270.db2.gz FACCTBXDLSPZQQ-UHFFFAOYSA-N 0 0 397.500 4.036 20 30 GIEDRN COc1cc(CNc2ccc(F)cc2OCC#N)ccc1OCc1ccncc1 ZINC000181545325 821875116 /nfs/dbraw/zinc/87/51/16/821875116.db2.gz SJMBSCYRJFMQOL-UHFFFAOYSA-N 0 0 393.418 4.323 20 30 GIEDRN O=C(COc1ccc(F)cc1F)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000181600154 821897441 /nfs/dbraw/zinc/89/74/41/821897441.db2.gz HLKMNAAKOJPSGG-HNNXBMFYSA-N 0 0 381.247 4.042 20 30 GIEDRN C=C(C)CN(C)C(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000181670026 821935456 /nfs/dbraw/zinc/93/54/56/821935456.db2.gz JLALXFRSMKEXLZ-UHFFFAOYSA-N 0 0 377.488 4.248 20 30 GIEDRN CN(C[C@@H]1CCCC[C@H]1O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000181702120 821950552 /nfs/dbraw/zinc/95/05/52/821950552.db2.gz GXBJJNKTCJBBDX-LAUBAEHRSA-N 0 0 379.460 4.365 20 30 GIEDRN N#Cc1cc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)c[nH]1 ZINC000181710402 821954413 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Cc1c(C#N)cccc1NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000181902451 822032057 /nfs/dbraw/zinc/03/20/57/822032057.db2.gz XCQJMZXYVCBNDA-SFHVURJKSA-N 0 0 389.377 4.491 20 30 GIEDRN CC(=O)Nc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc(C(F)(F)F)c1 ZINC000182073686 822082420 /nfs/dbraw/zinc/08/24/20/822082420.db2.gz KDMXBVNJOWBHNU-LLVKDONJSA-N 0 0 391.349 4.207 20 30 GIEDRN C=CC[C@@H](C)NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000182117530 822101043 /nfs/dbraw/zinc/10/10/43/822101043.db2.gz YRBMTLHTPIHTQX-LLVKDONJSA-N 0 0 377.286 4.338 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182140815 822113412 /nfs/dbraw/zinc/11/34/12/822113412.db2.gz NDTXJCWKUVTOJE-LBPRGKRZSA-N 0 0 394.412 4.261 20 30 GIEDRN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)N2CCC(C#N)CC2)cc1 ZINC000182178171 822134221 /nfs/dbraw/zinc/13/42/21/822134221.db2.gz FVQTTYUYSGWQHH-UHFFFAOYSA-N 0 0 375.432 4.208 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000182191719 822140176 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COc1ccc(-c2nc(C[S@](=O)CCCC(C)(C)C#N)cs2)c(OC)c1 ZINC000177960888 822258478 /nfs/dbraw/zinc/25/84/78/822258478.db2.gz QYDQGFNCEKLZHN-AREMUKBSSA-N 0 0 392.546 4.406 20 30 GIEDRN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000182490833 822264638 /nfs/dbraw/zinc/26/46/38/822264638.db2.gz KXKDXZHESZVXPR-IFMALSPDSA-N 0 0 398.890 4.407 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000182500971 822270345 /nfs/dbraw/zinc/27/03/45/822270345.db2.gz FLYNRGLBPSJYKJ-ICSRJNTNSA-N 0 0 386.904 4.091 20 30 GIEDRN N#Cc1ccc(-c2nnc(CNc3cc(F)ccc3OCC(F)(F)F)o2)cc1 ZINC000178014897 822283207 /nfs/dbraw/zinc/28/32/07/822283207.db2.gz KEXZUEPMDDGAQX-UHFFFAOYSA-N 0 0 392.312 4.301 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182543694 822293459 /nfs/dbraw/zinc/29/34/59/822293459.db2.gz XYBMAIWDCZCLSV-UHFFFAOYSA-N 0 0 389.358 4.120 20 30 GIEDRN Cc1ccc(OCc2nc(C[S@](=O)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000178046651 822298394 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Cc1c([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000045518599 822392889 /nfs/dbraw/zinc/39/28/89/822392889.db2.gz FIBXSQLZXDBLAF-OAHLLOKOSA-N 0 0 376.435 4.002 20 30 GIEDRN C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453620034 822394402 /nfs/dbraw/zinc/39/44/02/822394402.db2.gz RYUORNWXJZZUOV-AWEZNQCLSA-N 0 0 397.450 4.033 20 30 GIEDRN N#CCc1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2CCC2)c(Cl)c1 ZINC000453620998 822394408 /nfs/dbraw/zinc/39/44/08/822394408.db2.gz WWPWTBPUMHITQH-UHFFFAOYSA-N 0 0 395.890 4.173 20 30 GIEDRN Cc1ccccc1C1(CNC(=O)C(=O)Nc2cccc(CC#N)c2)CCCCC1 ZINC000453633980 822396172 /nfs/dbraw/zinc/39/61/72/822396172.db2.gz ZGOFQOCBZHAIPE-UHFFFAOYSA-N 0 0 389.499 4.018 20 30 GIEDRN N#C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)c1ccccc1Cl ZINC000178610686 822396247 /nfs/dbraw/zinc/39/62/47/822396247.db2.gz OKBZWKOQPGILPC-OAHLLOKOSA-N 0 0 381.632 4.165 20 30 GIEDRN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000453634151 822396251 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N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)cc1 ZINC000045618578 822400683 /nfs/dbraw/zinc/40/06/83/822400683.db2.gz HCJRYWSRRRVNLU-UHFFFAOYSA-N 0 0 394.459 4.421 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@H](C)c1ccccc1 ZINC000453703998 822402124 /nfs/dbraw/zinc/40/21/24/822402124.db2.gz WHKQITYJRQIZSV-UONOGXRCSA-N 0 0 383.517 4.164 20 30 GIEDRN CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000453706431 822402568 /nfs/dbraw/zinc/40/25/68/822402568.db2.gz JQCVYJLQVRHAAV-UHFFFAOYSA-N 0 0 385.851 4.161 20 30 GIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C)n2)c(C)c1 ZINC000453709710 822402858 /nfs/dbraw/zinc/40/28/58/822402858.db2.gz NXKCJJXSEITYJK-CYBMUJFWSA-N 0 0 382.489 4.038 20 30 GIEDRN Cc1cc(C#N)cc(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000453709759 822402875 /nfs/dbraw/zinc/40/28/75/822402875.db2.gz JVPUPPRESHBILO-UHFFFAOYSA-N 0 0 397.425 4.055 20 30 GIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C(C)(C)c1ccccc1 ZINC000453712610 822403580 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C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453760775 822407923 /nfs/dbraw/zinc/40/79/23/822407923.db2.gz SRFXYBBRQUEPAE-VBKZILBWSA-N 0 0 395.890 4.174 20 30 GIEDRN C/C(=C/c1ccccc1)CN(C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453759998 822407927 /nfs/dbraw/zinc/40/79/27/822407927.db2.gz SFGKVVXJCVHKGO-PTNGSMBKSA-N 0 0 395.528 4.418 20 30 GIEDRN CCOCc1ccc(NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc1 ZINC000453761634 822408194 /nfs/dbraw/zinc/40/81/94/822408194.db2.gz SZXXWTJBGMKAQH-UHFFFAOYSA-N 0 0 385.489 4.031 20 30 GIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C2CC2)c1 ZINC000453773527 822408965 /nfs/dbraw/zinc/40/89/65/822408965.db2.gz GICGDSXBABGNRO-HNNXBMFYSA-N 0 0 375.472 4.181 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1cccc(C2CC2)c1 ZINC000453773531 822409145 /nfs/dbraw/zinc/40/91/45/822409145.db2.gz GICGDSXBABGNRO-OAHLLOKOSA-N 0 0 375.472 4.181 20 30 GIEDRN N#CCC[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000178780025 822409363 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GIEDRN CC(C)C[C@@]1(C)CCCN1C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000453848334 822416170 /nfs/dbraw/zinc/41/61/70/822416170.db2.gz HMIUESPJWWLJFG-OAQYLSRUSA-N 0 0 396.516 4.047 20 30 GIEDRN Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1OCC1CCCCC1 ZINC000453847369 822416194 /nfs/dbraw/zinc/41/61/94/822416194.db2.gz LOZTZWHMSVHQHO-HKUYNNGSSA-N 0 0 397.519 4.091 20 30 GIEDRN CCC[C@@H](NC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)C(C)(C)C ZINC000453883839 822418260 /nfs/dbraw/zinc/41/82/60/822418260.db2.gz MBNHAIRODBPFJL-GOSISDBHSA-N 0 0 394.475 4.015 20 30 GIEDRN C=CCC[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000178880499 822418551 /nfs/dbraw/zinc/41/85/51/822418551.db2.gz YJOFXRMIQPCTLN-LAUBAEHRSA-N 0 0 375.476 4.335 20 30 GIEDRN CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000178878842 822418595 /nfs/dbraw/zinc/41/85/95/822418595.db2.gz GQJMOPDEGJSNPP-GOSISDBHSA-N 0 0 382.395 4.075 20 30 GIEDRN CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000178878853 822418599 /nfs/dbraw/zinc/41/85/99/822418599.db2.gz GQJMOPDEGJSNPP-SFHVURJKSA-N 0 0 382.395 4.075 20 30 GIEDRN C=CCC[C@@H](NC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000178883106 822418769 /nfs/dbraw/zinc/41/87/69/822418769.db2.gz SKHUCLUWOCGFPE-GOSISDBHSA-N 0 0 384.476 4.219 20 30 GIEDRN CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1C(C)C ZINC000453960357 822420096 /nfs/dbraw/zinc/42/00/96/822420096.db2.gz VKHQNFUKNWIARH-JTDSTZFVSA-N 0 0 387.549 4.016 20 30 GIEDRN N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000453979853 822420904 /nfs/dbraw/zinc/42/09/04/822420904.db2.gz QNWFHGZZSJBZEU-LJQANCHMSA-N 0 0 381.863 4.098 20 30 GIEDRN N#CCc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000453979852 822420930 /nfs/dbraw/zinc/42/09/30/822420930.db2.gz QNWFHGZZSJBZEU-IBGZPJMESA-N 0 0 381.863 4.098 20 30 GIEDRN Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccccc3C#N)cc2)cs1 ZINC000045885517 822421714 /nfs/dbraw/zinc/42/17/14/822421714.db2.gz WORJXXLMAMZCMU-CQSZACIVSA-N 0 0 377.469 4.074 20 30 GIEDRN N#Cc1c(NC(=O)Cc2cc(F)ccc2Br)sc2c1CCC2 ZINC000178922007 822421924 /nfs/dbraw/zinc/42/19/24/822421924.db2.gz CPHXRQKJODEZFK-UHFFFAOYSA-N 0 0 379.254 4.191 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1C#N ZINC000454040412 822424551 /nfs/dbraw/zinc/42/45/51/822424551.db2.gz JVMDMIGJIVMOEH-INIZCTEOSA-N 0 0 397.500 4.203 20 30 GIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000454051260 822425588 /nfs/dbraw/zinc/42/55/88/822425588.db2.gz SRJXGZFPYXKQDX-RHSMWYFYSA-N 0 0 399.853 4.132 20 30 GIEDRN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000178973705 822425599 /nfs/dbraw/zinc/42/55/99/822425599.db2.gz WWJPFSKOPRDQHX-ZDUSSCGKSA-N 0 0 380.872 4.264 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC000454062308 822426036 /nfs/dbraw/zinc/42/60/36/822426036.db2.gz MWIMWWRGYZLKRB-HZPDHXFCSA-N 0 0 387.549 4.209 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183112323 822426086 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C[C@@H](OC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(C#N)cc1 ZINC000175793511 823041530 /nfs/dbraw/zinc/04/15/30/823041530.db2.gz UVRCBFKLGAYCFW-OAHLLOKOSA-N 0 0 390.395 4.087 20 30 GIEDRN COc1cccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000055771989 823042307 /nfs/dbraw/zinc/04/23/07/823042307.db2.gz SISPAESVHQZRHC-UHFFFAOYSA-N 0 0 399.450 4.390 20 30 GIEDRN N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 ZINC000060556363 823541867 /nfs/dbraw/zinc/54/18/67/823541867.db2.gz PSJAKNXTXJFHIL-QGZVFWFLSA-N 0 0 376.441 4.003 20 30 GIEDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000123802218 823541968 /nfs/dbraw/zinc/54/19/68/823541968.db2.gz PATLYRMAZDXNTM-PGRDOPGGSA-N 0 0 392.430 4.015 20 30 GIEDRN CC[C@@H](C#N)NC(=O)[C@@H](Oc1ccc(Br)cc1F)c1ccccc1 ZINC000123812752 823542526 /nfs/dbraw/zinc/54/25/26/823542526.db2.gz CNMATYMTJQZXJJ-YOEHRIQHSA-N 0 0 391.240 4.127 20 30 GIEDRN C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(CC)CCCO ZINC000460922171 823542964 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N#Cc1c(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)cccc1OC(F)(F)F ZINC000411109413 823547879 /nfs/dbraw/zinc/54/78/79/823547879.db2.gz GGTHFMMHWQPNAO-GFCCVEGCSA-N 0 0 393.340 4.061 20 30 GIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)Cc1cccc(C)n1 ZINC000460947446 823548419 /nfs/dbraw/zinc/54/84/19/823548419.db2.gz GKQZDPOVZCSKSS-KRWDZBQOSA-N 0 0 395.482 4.473 20 30 GIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC000460947875 823548439 /nfs/dbraw/zinc/54/84/39/823548439.db2.gz SYGKFOMIOLYQIX-QHCPKHFHSA-N 0 0 396.535 4.057 20 30 GIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1 ZINC000190191419 823548772 /nfs/dbraw/zinc/54/87/72/823548772.db2.gz CDQXGQPYGZICBG-UHFFFAOYSA-N 0 0 389.377 4.170 20 30 GIEDRN C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](SC)C1 ZINC000460949824 823549033 /nfs/dbraw/zinc/54/90/33/823549033.db2.gz CXEXFPGJEUJWLK-INIZCTEOSA-N 0 0 390.528 4.294 20 30 GIEDRN C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC000460951028 823549165 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N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1F ZINC000190234350 823553802 /nfs/dbraw/zinc/55/38/02/823553802.db2.gz PQGAGPQSORUMOT-WRWLIDTKSA-N 0 0 381.407 4.179 20 30 GIEDRN COc1cc(C#N)ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000123964583 823555983 /nfs/dbraw/zinc/55/59/83/823555983.db2.gz NVZNNLFLEHKADL-UONOGXRCSA-N 0 0 377.318 4.175 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000411191933 823556006 /nfs/dbraw/zinc/55/60/06/823556006.db2.gz KVRUDNZVVUTUMQ-LPHOPBHVSA-N 0 0 399.516 4.397 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccc(C#N)c(Cl)c1 ZINC000190254495 823556539 /nfs/dbraw/zinc/55/65/39/823556539.db2.gz NVGMVJZBWVKRLD-ZDUSSCGKSA-N 0 0 385.876 4.481 20 30 GIEDRN C[C@H](Oc1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1Br ZINC000190276778 823558528 /nfs/dbraw/zinc/55/85/28/823558528.db2.gz LNEZVRKRYNGRRM-JTQLQIEISA-N 0 0 379.641 4.380 20 30 GIEDRN Cc1nc(C)c(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)s1 ZINC000461010425 823558599 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CC(C)(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCO1 ZINC000461045974 823565093 /nfs/dbraw/zinc/56/50/93/823565093.db2.gz DMMQGEYUNFOSGS-HXUWFJFHSA-N 0 0 393.535 4.086 20 30 GIEDRN Cc1cc(C(=O)CN2CCC(C#N)CC2)c(C)n1CCc1ccc(Cl)cc1 ZINC000060893444 823565113 /nfs/dbraw/zinc/56/51/13/823565113.db2.gz DVIGAYBJSSWGPG-UHFFFAOYSA-N 0 0 383.923 4.419 20 30 GIEDRN CCC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccc(F)cc1F ZINC000124078364 823565649 /nfs/dbraw/zinc/56/56/49/823565649.db2.gz KWOBQFPQRKHTEY-FQEVSTJZSA-N 0 0 388.462 4.282 20 30 GIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000411357312 823566189 /nfs/dbraw/zinc/56/61/89/823566189.db2.gz SLUQZXZMGLBTNZ-HNNXBMFYSA-N 0 0 385.533 4.150 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1csc(C2CCCCC2)n1 ZINC000411359105 823566354 /nfs/dbraw/zinc/56/63/54/823566354.db2.gz QUUQCRWMGMSLSC-UHFFFAOYSA-N 0 0 383.517 4.351 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411362192 823566472 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CN(CC(C)(C)C#N)C(=O)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000458795333 823086629 /nfs/dbraw/zinc/08/66/29/823086629.db2.gz MZVFIZLTAKEJHF-HNNXBMFYSA-N 0 0 378.314 4.264 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCOC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000458795763 823086665 /nfs/dbraw/zinc/08/66/65/823086665.db2.gz CYAGNBXSOVWZHD-VXKWHMMOSA-N 0 0 377.488 4.075 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1C#N ZINC000056081824 823082444 /nfs/dbraw/zinc/08/24/44/823082444.db2.gz WQZMRYIUQQTBEL-UHFFFAOYSA-N 0 0 378.501 4.405 20 30 GIEDRN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](c2ccsc2)O1 ZINC000120891650 823082865 /nfs/dbraw/zinc/08/28/65/823082865.db2.gz CINUVPONEXBIFD-OPAMFIHVSA-N 0 0 393.512 4.261 20 30 GIEDRN CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000120917661 823086764 /nfs/dbraw/zinc/08/67/64/823086764.db2.gz RJNYGWDADWNIEE-GOSISDBHSA-N 0 0 388.265 4.304 20 30 GIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)NCCCCC#N)C(F)(F)F ZINC000187537270 823084474 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GIEDRN COCc1nc2cc(NCc3cn(CCC#N)nc3-c3ccccc3)ccc2o1 ZINC000175979472 823087664 /nfs/dbraw/zinc/08/76/64/823087664.db2.gz METKJIHLHPLOML-UHFFFAOYSA-N 0 0 387.443 4.363 20 30 GIEDRN COc1ccc2c(c1OC)CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000458802125 823088200 /nfs/dbraw/zinc/08/82/00/823088200.db2.gz OVJJIZSCZJQZQP-HXUWFJFHSA-N 0 0 393.487 4.207 20 30 GIEDRN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458803245 823088431 /nfs/dbraw/zinc/08/84/31/823088431.db2.gz QTQXQLDBKALWLK-OALUTQOASA-N 0 0 385.508 4.185 20 30 GIEDRN COc1ccc([C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)cc1OC ZINC000175983715 823088550 /nfs/dbraw/zinc/08/85/50/823088550.db2.gz ISLJBLFROQUULE-GOSISDBHSA-N 0 0 382.485 4.297 20 30 GIEDRN Cc1ccccc1N1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458804085 823088675 /nfs/dbraw/zinc/08/86/75/823088675.db2.gz RYXAJGAMUBAEJD-NRFANRHFSA-N 0 0 376.504 4.262 20 30 GIEDRN N#CCCC[C@H](NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 ZINC000458803865 823088709 /nfs/dbraw/zinc/08/87/09/823088709.db2.gz RRONEBJREYGAGY-SFTDATJTSA-N 0 0 381.476 4.405 20 30 GIEDRN C=CCOc1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1OC ZINC000056149292 823088775 /nfs/dbraw/zinc/08/87/75/823088775.db2.gz PQBOGSMSSCPXNS-HXUWFJFHSA-N 0 0 381.472 4.081 20 30 GIEDRN COc1ccc([C@@H](C)CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000175984960 823088784 /nfs/dbraw/zinc/08/87/84/823088784.db2.gz YEVRSAWGOFFORT-UGSOOPFHSA-N 0 0 387.277 4.332 20 30 GIEDRN CC(=O)N(Cc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)C1CC1 ZINC000175986731 823089362 /nfs/dbraw/zinc/08/93/62/823089362.db2.gz ZJTYCOLLULYOHT-UHFFFAOYSA-N 0 0 379.485 4.065 20 30 GIEDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458810560 823090196 /nfs/dbraw/zinc/09/01/96/823090196.db2.gz AWBOOQDYZVWEDE-AVRDEDQJSA-N 0 0 394.494 4.481 20 30 GIEDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000175994551 823090782 /nfs/dbraw/zinc/09/07/82/823090782.db2.gz GSYIIJHMBINBEV-OAHLLOKOSA-N 0 0 390.491 4.492 20 30 GIEDRN N#C[C@@]1(NC(=O)c2cnc(Cc3ccccc3F)s2)CCc2ccccc2C1 ZINC000187574995 823090816 /nfs/dbraw/zinc/09/08/16/823090816.db2.gz GPCKBVZZEFONGD-JOCHJYFZSA-N 0 0 391.471 4.054 20 30 GIEDRN C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCC2(CCOCC2)C1 ZINC000570818233 823091277 /nfs/dbraw/zinc/09/12/77/823091277.db2.gz FVIRBXCSEFDFEN-UHFFFAOYSA-N 0 0 396.535 4.057 20 30 GIEDRN CCCCCCCC(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000187582803 823092556 /nfs/dbraw/zinc/09/25/56/823092556.db2.gz YQZFZFLFHHTVGD-QGZVFWFLSA-N 0 0 380.554 4.106 20 30 GIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000570829432 823092578 /nfs/dbraw/zinc/09/25/78/823092578.db2.gz ONZUYBCTSYJCKX-GOSISDBHSA-N 0 0 377.467 4.124 20 30 GIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175997522 823091705 /nfs/dbraw/zinc/09/17/05/823091705.db2.gz DLFPNZPSCBENSN-HOTGVXAUSA-N 0 0 386.521 4.296 20 30 GIEDRN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458851277 823097680 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GIEDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458835327 823095087 /nfs/dbraw/zinc/09/50/87/823095087.db2.gz JZDSRKWFKQTSBU-FQEVSTJZSA-N 0 0 380.448 4.214 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000187601695 823095933 /nfs/dbraw/zinc/09/59/33/823095933.db2.gz YQQACTOPNIWTCS-UHFFFAOYSA-N 0 0 391.452 4.263 20 30 GIEDRN C[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056174779 823096347 /nfs/dbraw/zinc/09/63/47/823096347.db2.gz QFFXLMSIYXHION-MRXNPFEDSA-N 0 0 384.439 4.250 20 30 GIEDRN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458856036 823098499 /nfs/dbraw/zinc/09/84/99/823098499.db2.gz YLPKLURMBZFHBS-SIKLNZKXSA-N 0 0 385.508 4.042 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000458877221 823100426 /nfs/dbraw/zinc/10/04/26/823100426.db2.gz UYPOJWGNNCNEFE-CYBMUJFWSA-N 0 0 380.847 4.413 20 30 GIEDRN C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 ZINC000056195379 823100473 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GIEDRN Cc1c(C(=O)Nc2cc(C#N)ccc2OC(C)C)cnn1-c1ccc(F)cc1 ZINC000056213084 823104714 /nfs/dbraw/zinc/10/47/14/823104714.db2.gz OGHRAVFPDVEKPY-UHFFFAOYSA-N 0 0 378.407 4.231 20 30 GIEDRN N#Cc1ccc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)nc1 ZINC000570903067 823105688 /nfs/dbraw/zinc/10/56/88/823105688.db2.gz FNTZFWCVNZZPHO-UHFFFAOYSA-N 0 0 386.430 4.297 20 30 GIEDRN CCN(C(=O)c1cccc(NC(=O)NC2CC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222518 823106489 /nfs/dbraw/zinc/10/64/89/823106489.db2.gz BDOIDPWWKLAXAX-HNNXBMFYSA-N 0 0 376.460 4.065 20 30 GIEDRN O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1c(F)cccc1F ZINC000570965778 823113022 /nfs/dbraw/zinc/11/30/22/823113022.db2.gz OKVDBFBMHUTXQT-HNNXBMFYSA-N 0 0 380.263 4.075 20 30 GIEDRN N#C[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccccc1Cl ZINC000176075423 823113404 /nfs/dbraw/zinc/11/34/04/823113404.db2.gz NAGOIYQVRMBXOY-KRWDZBQOSA-N 0 0 378.819 4.262 20 30 GIEDRN C=CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000570975728 823114237 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C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1(C)C ZINC000571064463 823126751 /nfs/dbraw/zinc/12/67/51/823126751.db2.gz ROBCSTGVOCWWEP-XLIONFOSSA-N 0 0 393.535 4.258 20 30 GIEDRN Cc1cc(C(=O)N2CCO[C@H](c3ccsc3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000121154316 823128620 /nfs/dbraw/zinc/12/86/20/823128620.db2.gz IMGLTVAOGGEZBX-NRFANRHFSA-N 0 0 391.496 4.241 20 30 GIEDRN CN(CCc1ccc(Br)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000571077052 823128719 /nfs/dbraw/zinc/12/87/19/823128719.db2.gz AVYXHIRZCXRPFU-UHFFFAOYSA-N 0 0 384.199 4.413 20 30 GIEDRN CCCN(C(=O)NCc1ccc(C#N)c(F)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000459112272 823129338 /nfs/dbraw/zinc/12/93/38/823129338.db2.gz GTCRPWPIMFPLNW-INIZCTEOSA-N 0 0 396.466 4.036 20 30 GIEDRN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459117763 823130431 /nfs/dbraw/zinc/13/04/31/823130431.db2.gz KLDUDKUSNOHGLP-DJJJIMSYSA-N 0 0 387.842 4.022 20 30 GIEDRN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2c(F)cccc2Cl)c1 ZINC000176128863 823130609 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ZINC000181478111 821844048 /nfs/dbraw/zinc/84/40/48/821844048.db2.gz PDHFMKPYIXTIKZ-WMZJFQQLSA-N 0 0 395.289 4.003 20 30 GIEDRN Cc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)c(OCC(F)(F)F)c1 ZINC000181549771 821877602 /nfs/dbraw/zinc/87/76/02/821877602.db2.gz WDCWIKWXBPFAQT-UHFFFAOYSA-N 0 0 388.389 4.421 20 30 GIEDRN Cc1cc2c(cc1NC(=O)c1occc1COc1cccc(C#N)c1)OCO2 ZINC000181565043 821883103 /nfs/dbraw/zinc/88/31/03/821883103.db2.gz PQOUHCJTBGIFNQ-UHFFFAOYSA-N 0 0 376.368 4.020 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181625332 821909486 /nfs/dbraw/zinc/90/94/86/821909486.db2.gz MEOASXRGWCDOSK-UHFFFAOYSA-N 0 0 377.819 4.379 20 30 GIEDRN CN(C[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000181654456 821925667 /nfs/dbraw/zinc/92/56/67/821925667.db2.gz YYCRHRRHSQEILR-DYESRHJHSA-N 0 0 379.460 4.365 20 30 GIEDRN CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CCO1 ZINC000181693143 821946768 /nfs/dbraw/zinc/94/67/68/821946768.db2.gz WYYKTGZEENNAAD-WMLDXEAASA-N 0 0 381.423 4.265 20 30 GIEDRN CC(C)(C)[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(N)=O ZINC000181718262 821958974 /nfs/dbraw/zinc/95/89/74/821958974.db2.gz RSNZSSJSIWBMCL-AEFFLSMTSA-N 0 0 398.894 4.017 20 30 GIEDRN CCCCCCCCc1nnc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)s1 ZINC000181808189 822001271 /nfs/dbraw/zinc/00/12/71/822001271.db2.gz SJHISWSDCDTSGS-UHFFFAOYSA-N 0 0 386.521 4.117 20 30 GIEDRN N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)c[nH]1 ZINC000181896971 822030113 /nfs/dbraw/zinc/03/01/13/822030113.db2.gz OKEDTRSMLKFNCW-UHFFFAOYSA-N 0 0 390.296 4.484 20 30 GIEDRN Cc1cccc([C@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C(C)(C)C)c1 ZINC000181900735 822031281 /nfs/dbraw/zinc/03/12/81/822031281.db2.gz YYBJIOURBJBIFU-JXFKEZNVSA-N 0 0 393.487 4.128 20 30 GIEDRN Cc1cc(C)cc([C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)c1 ZINC000181946496 822042423 /nfs/dbraw/zinc/04/24/23/822042423.db2.gz WOAKSKVFQFGVCN-FQEVSTJZSA-N 0 0 389.499 4.300 20 30 GIEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(C)CCCCCC2)nc1C ZINC000181976444 822050440 /nfs/dbraw/zinc/05/04/40/822050440.db2.gz KHXKEXOFRLFCKP-UHFFFAOYSA-N 0 0 391.566 4.484 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000182069459 822081268 /nfs/dbraw/zinc/08/12/68/822081268.db2.gz BGTAXMNLTQPEGS-CHWSQXEVSA-N 0 0 378.350 4.402 20 30 GIEDRN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cn(C)nc1-c1ccc(C#N)cc1 ZINC000182073840 822082508 /nfs/dbraw/zinc/08/25/08/822082508.db2.gz DZZBYWDZOPJIDE-HXUWFJFHSA-N 0 0 391.862 4.199 20 30 GIEDRN CC(=O)Nc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(C(F)(F)F)c1 ZINC000182073666 822082603 /nfs/dbraw/zinc/08/26/03/822082603.db2.gz KDMXBVNJOWBHNU-NSHDSACASA-N 0 0 391.349 4.207 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCCNc2cccc(F)c2)o1 ZINC000182076764 822083309 /nfs/dbraw/zinc/08/33/09/822083309.db2.gz GDWBTDLLJHNZDM-UHFFFAOYSA-N 0 0 393.418 4.101 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000182081025 822085511 /nfs/dbraw/zinc/08/55/11/822085511.db2.gz WPTLMRIYYUAYPH-INIZCTEOSA-N 0 0 385.423 4.482 20 30 GIEDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000182117561 822101143 /nfs/dbraw/zinc/10/11/43/822101143.db2.gz XOTMLKSSFONVBL-LBPRGKRZSA-N 0 0 394.456 4.310 20 30 GIEDRN CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000182141545 822114130 /nfs/dbraw/zinc/11/41/30/822114130.db2.gz WUOXUSATOWCFCA-KRWDZBQOSA-N 0 0 393.487 4.492 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000182151029 822119119 /nfs/dbraw/zinc/11/91/19/822119119.db2.gz VYRZMUTXZCYUFD-OAHLLOKOSA-N 0 0 394.431 4.128 20 30 GIEDRN CC1(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCOCC1 ZINC000182165088 822126172 /nfs/dbraw/zinc/12/61/72/822126172.db2.gz GJYKQVDUYGQMDS-UHFFFAOYSA-N 0 0 379.460 4.022 20 30 GIEDRN CN(C)c1nc2sc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2s1 ZINC000182233027 822159342 /nfs/dbraw/zinc/15/93/42/822159342.db2.gz JBCZYGCRECTURS-UHFFFAOYSA-N 0 0 388.543 4.488 20 30 GIEDRN COc1ccc(O)cc1C(=O)/C=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000182285847 822187625 /nfs/dbraw/zinc/18/76/25/822187625.db2.gz PWWKGDLIZAAUFA-FNORWQNLSA-N 0 0 382.397 4.329 20 30 GIEDRN CCOC(=O)c1sc(/C=C/c2cn(C)nc2-c2ccc(C#N)cc2)nc1C ZINC000182287837 822188885 /nfs/dbraw/zinc/18/88/85/822188885.db2.gz DUIGHIREPWOKAQ-MDZDMXLPSA-N 0 0 378.457 4.071 20 30 GIEDRN CCN(CC)C(=O)COc1cccc(N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182313154 822199122 /nfs/dbraw/zinc/19/91/22/822199122.db2.gz QYXAZWMPFUUEMN-KRWDZBQOSA-N 0 0 381.476 4.009 20 30 GIEDRN CCOc1ccc(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1OCC ZINC000182338441 822207671 /nfs/dbraw/zinc/20/76/71/822207671.db2.gz IBIFNXZEAWISDX-UHFFFAOYSA-N 0 0 378.472 4.012 20 30 GIEDRN C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)[C@H](O)Cc1ccccc1 ZINC000182358797 822214140 /nfs/dbraw/zinc/21/41/40/822214140.db2.gz OHVPQXSOBBGSFY-LAUBAEHRSA-N 0 0 386.451 4.072 20 30 GIEDRN C=CCN(Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)Cc1ccccc1 ZINC000182380435 822222122 /nfs/dbraw/zinc/22/21/22/822222122.db2.gz QKUVHLNZGTYCJF-UHFFFAOYSA-N 0 0 378.501 4.287 20 30 GIEDRN Cc1cc(NC(=O)c2occc2COc2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000182436419 822242348 /nfs/dbraw/zinc/24/23/48/822242348.db2.gz MARRBFIOLCPUCT-UHFFFAOYSA-N 0 0 377.356 4.199 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000182445917 822245193 /nfs/dbraw/zinc/24/51/93/822245193.db2.gz KBXAYWIERMIMPR-AWEZNQCLSA-N 0 0 379.426 4.381 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000182467380 822254629 /nfs/dbraw/zinc/25/46/29/822254629.db2.gz MZUZSWXATQKKQK-UHFFFAOYSA-N 0 0 399.376 4.427 20 30 GIEDRN COc1cccc(-c2nc(C[S@@](=O)CCCC(C)(C)C#N)cs2)c1OC ZINC000177957331 822256788 /nfs/dbraw/zinc/25/67/88/822256788.db2.gz HKIUZVBBFIVZOP-SANMLTNESA-N 0 0 392.546 4.406 20 30 GIEDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000177989838 822271923 /nfs/dbraw/zinc/27/19/23/822271923.db2.gz CZWNJFXEYZLBAX-UHFFFAOYSA-N 0 0 386.407 4.176 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000182545900 822295059 /nfs/dbraw/zinc/29/50/59/822295059.db2.gz NUGLGFAFQWEMHA-HZPDHXFCSA-N 0 0 381.501 4.307 20 30 GIEDRN CC1CCN(c2ccc(NC(=O)N(CCC#N)Cc3ccccn3)cc2)CC1 ZINC000178061021 822305301 /nfs/dbraw/zinc/30/53/01/822305301.db2.gz NIKAVNCGLDWJHX-UHFFFAOYSA-N 0 0 377.492 4.266 20 30 GIEDRN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cccc(CC#N)c2)c1 ZINC000178154725 822335688 /nfs/dbraw/zinc/33/56/88/822335688.db2.gz WPOZYZDKBVGXQG-DEOSSOPVSA-N 0 0 384.479 4.437 20 30 GIEDRN Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c(C#N)c1C ZINC000182712891 822357044 /nfs/dbraw/zinc/35/70/44/822357044.db2.gz OSNAWBACSKYINB-INIZCTEOSA-N 0 0 382.533 4.133 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)Cc1ccc(Br)cc1 ZINC000453411150 822359148 /nfs/dbraw/zinc/35/91/48/822359148.db2.gz CPOMDAHRQMCSRX-BBRMVZONSA-N 0 0 391.313 4.103 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000453412488 822359304 /nfs/dbraw/zinc/35/93/04/822359304.db2.gz HYMWLUJRLGXPAR-CVAIRZPRSA-N 0 0 398.507 4.063 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)Cc1csc(Br)c1 ZINC000453413515 822359370 /nfs/dbraw/zinc/35/93/70/822359370.db2.gz LAAOLLNWDYUYHN-AAEUAGOBSA-N 0 0 397.342 4.165 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000453417241 822360107 /nfs/dbraw/zinc/36/01/07/822360107.db2.gz ZDDJGXJYWUJDIZ-JXFKEZNVSA-N 0 0 384.499 4.302 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cc(Br)cs1 ZINC000453422663 822360647 /nfs/dbraw/zinc/36/06/47/822360647.db2.gz ABZRXNPPFWMQMR-AWEZNQCLSA-N 0 0 397.342 4.166 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N(C)Cc1ccc(Br)cc1C ZINC000453427800 822361652 /nfs/dbraw/zinc/36/16/52/822361652.db2.gz WZJMFKJMFBXCKN-INIZCTEOSA-N 0 0 391.313 4.023 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000453433220 822362201 /nfs/dbraw/zinc/36/22/01/822362201.db2.gz COQLPKCMOHPFPE-MRXNPFEDSA-N 0 0 396.413 4.241 20 30 GIEDRN C=CCn1c(N2CC[C@H](CSc3ccccc3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453433268 822362233 /nfs/dbraw/zinc/36/22/33/822362233.db2.gz CSUCQZVSEQNCCJ-LAUBAEHRSA-N 0 0 384.549 4.108 20 30 GIEDRN C=CCn1c(N2CC[C@@H](CSc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453433270 822362256 /nfs/dbraw/zinc/36/22/56/822362256.db2.gz CSUCQZVSEQNCCJ-UTKZUKDTSA-N 0 0 384.549 4.108 20 30 GIEDRN C=CCn1c(N2CC=C(c3ccccc3OCC)CC2)nnc1[C@]1(C)CCCO1 ZINC000453436160 822362644 /nfs/dbraw/zinc/36/26/44/822362644.db2.gz HNYVDWDWXPECNI-QHCPKHFHSA-N 0 0 394.519 4.182 20 30 GIEDRN C=CCn1c(N(C)Cc2cccc(C(F)(F)F)c2)nnc1[C@@]1(C)CCCO1 ZINC000453436469 822362813 /nfs/dbraw/zinc/36/28/13/822362813.db2.gz IIBOKQKMWFHBIV-GOSISDBHSA-N 0 0 380.414 4.145 20 30 GIEDRN C=CCn1c(N2CC[C@](F)(c3cc(C)cc(F)c3)C2)nnc1[C@]1(C)CCCO1 ZINC000453438486 822362955 /nfs/dbraw/zinc/36/29/55/822362955.db2.gz KILKEGXSRXYVOV-LEWJYISDSA-N 0 0 388.462 4.012 20 30 GIEDRN C=CCn1c(N2CC=C(c3cccc(Cl)c3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453444746 822363971 /nfs/dbraw/zinc/36/39/71/822363971.db2.gz SPNWEOJRRNWVBR-NRFANRHFSA-N 0 0 384.911 4.437 20 30 GIEDRN 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CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000183672039 822508834 /nfs/dbraw/zinc/50/88/34/822508834.db2.gz GWBSSKQYIJFPNE-QWHCGFSZSA-N 0 0 384.361 4.087 20 30 GIEDRN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000454629631 822509109 /nfs/dbraw/zinc/50/91/09/822509109.db2.gz ZQEDTOZNIUXOGK-UHFFFAOYSA-N 0 0 375.447 4.332 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000454635111 822509911 /nfs/dbraw/zinc/50/99/11/822509911.db2.gz CWQGPRYBGOSVHI-GOSISDBHSA-N 0 0 375.432 4.202 20 30 GIEDRN C[C@@H](Nc1ccc(F)cc1OCC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000179604031 822511072 /nfs/dbraw/zinc/51/10/72/822511072.db2.gz JGQYEBHQNCQQBZ-CQSZACIVSA-N 0 0 391.393 4.217 20 30 GIEDRN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cc(C#N)ccc1C ZINC000454651406 822512320 /nfs/dbraw/zinc/51/23/20/822512320.db2.gz VBDCOCGCJCAWST-UHFFFAOYSA-N 0 0 375.831 4.340 20 30 GIEDRN CC[C@@H](Cc1ccccc1Br)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454663419 822514111 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CO[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000454708531 822521344 /nfs/dbraw/zinc/52/13/44/822521344.db2.gz HAIWVSHPMRMCSJ-FOIQADDNSA-N 0 0 397.450 4.165 20 30 GIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)c2)cc1 ZINC000454728097 822524189 /nfs/dbraw/zinc/52/41/89/822524189.db2.gz PMTIOUQOVNWAEU-QWFCFKBJSA-N 0 0 391.471 4.365 20 30 GIEDRN COC(=O)[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1cccc(C#N)c1 ZINC000179673813 822524553 /nfs/dbraw/zinc/52/45/53/822524553.db2.gz ZCTJOFWSYVTQHO-QHCPKHFHSA-N 0 0 381.435 4.101 20 30 GIEDRN CCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cc1OCC ZINC000046886720 822526923 /nfs/dbraw/zinc/52/69/23/822526923.db2.gz XPLNOCXMBLHDPL-MRXNPFEDSA-N 0 0 381.476 4.258 20 30 GIEDRN C#CCCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000179686568 822527167 /nfs/dbraw/zinc/52/71/67/822527167.db2.gz LKLKFBVJIMVGJR-XMMPIXPASA-N 0 0 377.484 4.372 20 30 GIEDRN CC[C@H](CC#N)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 ZINC000183792711 822528756 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N#CC1(COC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CCCC1 ZINC000183849514 822535736 /nfs/dbraw/zinc/53/57/36/822535736.db2.gz JYCMEBMXRTWXTB-UHFFFAOYSA-N 0 0 378.457 4.237 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000179732848 822537453 /nfs/dbraw/zinc/53/74/53/822537453.db2.gz MQKDDVFTTOEPGX-FQEVSTJZSA-N 0 0 398.890 4.216 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cnn(CCC)c2C2CC2)cc1 ZINC000454818555 822540178 /nfs/dbraw/zinc/54/01/78/822540178.db2.gz SRUDMLCNAMZKFP-UHFFFAOYSA-N 0 0 382.468 4.122 20 30 GIEDRN C[C@@H](NC(=O)N(C)Cc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000047051938 822540519 /nfs/dbraw/zinc/54/05/19/822540519.db2.gz XRBCEEDQCXMWEV-LLVKDONJSA-N 0 0 378.295 4.285 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000183900541 822542971 /nfs/dbraw/zinc/54/29/71/822542971.db2.gz HSCPTNLGJBWEKL-AWEZNQCLSA-N 0 0 390.399 4.467 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179767775 822548283 /nfs/dbraw/zinc/54/82/83/822548283.db2.gz GDNXHVNAKIKARS-UHFFFAOYSA-N 0 0 389.242 4.328 20 30 GIEDRN CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000454867418 822548658 /nfs/dbraw/zinc/54/86/58/822548658.db2.gz CVDCQRIECYOGOC-UHFFFAOYSA-N 0 0 389.499 4.438 20 30 GIEDRN COc1ccc(F)cc1-c1csc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)n1 ZINC000047169427 822550135 /nfs/dbraw/zinc/55/01/35/822550135.db2.gz QIPSLRFZZJHCMV-LBPRGKRZSA-N 0 0 397.431 4.235 20 30 GIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183940741 822550910 /nfs/dbraw/zinc/55/09/10/822550910.db2.gz HLTVXPNMDHNBLX-OAHLLOKOSA-N 0 0 387.487 4.081 20 30 GIEDRN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179784520 822552376 /nfs/dbraw/zinc/55/23/76/822552376.db2.gz CRGBNIPXNSJRNJ-UHFFFAOYSA-N 0 0 375.472 4.041 20 30 GIEDRN N#CCC1(CNC(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000454895841 822552435 /nfs/dbraw/zinc/55/24/35/822552435.db2.gz YBGOWOXOUQZQHM-UHFFFAOYSA-N 0 0 381.398 4.168 20 30 GIEDRN CC(C)OCCOC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000454906836 822554545 /nfs/dbraw/zinc/55/45/45/822554545.db2.gz ZVXBRLLYSQDRFE-UHFFFAOYSA-N 0 0 399.413 4.015 20 30 GIEDRN C[C@H]1CCCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)[C@H]1C ZINC000179808327 822557127 /nfs/dbraw/zinc/55/71/27/822557127.db2.gz YBIRPCRUOLTCEM-STQMWFEESA-N 0 0 387.534 4.354 20 30 GIEDRN COCC[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000454922999 822557469 /nfs/dbraw/zinc/55/74/69/822557469.db2.gz VMFICOJCSASUKN-JTTJXQCZSA-N 0 0 397.441 4.412 20 30 GIEDRN N#C[C@]1(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CCc2ccccc2C1 ZINC000183986404 822558407 /nfs/dbraw/zinc/55/84/07/822558407.db2.gz DYBCSVGDUQKIMS-DYXWJJEUSA-N 0 0 395.300 4.120 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000047248319 822558577 /nfs/dbraw/zinc/55/85/77/822558577.db2.gz GPXGKNGLAAKRRJ-UHFFFAOYSA-N 0 0 380.863 4.190 20 30 GIEDRN C=CCCOCCNC(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000183991278 822559368 /nfs/dbraw/zinc/55/93/68/822559368.db2.gz PRKAVHVLRDXIAA-INIZCTEOSA-N 0 0 389.496 4.219 20 30 GIEDRN N#C[C@]1(NC(=O)CCCc2nc3ccccc3s2)CCc2ccccc2C1 ZINC000184004998 822562261 /nfs/dbraw/zinc/56/22/61/822562261.db2.gz MSNMTGSXGWNTCV-QFIPXVFZSA-N 0 0 375.497 4.186 20 30 GIEDRN CCC(CC)n1nc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1C ZINC000179838098 822563738 /nfs/dbraw/zinc/56/37/38/822563738.db2.gz CJGCTKKBVZBSJA-QGZVFWFLSA-N 0 0 389.297 4.310 20 30 GIEDRN CC(C)(CCC#N)CNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000454965665 822564054 /nfs/dbraw/zinc/56/40/54/822564054.db2.gz TVGLCEGVULYTMZ-OAHLLOKOSA-N 0 0 378.314 4.278 20 30 GIEDRN NC(=O)c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000047319793 822565024 /nfs/dbraw/zinc/56/50/24/822565024.db2.gz ILKYORBIUFEYFW-UHFFFAOYSA-N 0 0 394.246 4.215 20 30 GIEDRN Cc1ccccc1C(C)(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179849501 822566039 /nfs/dbraw/zinc/56/60/39/822566039.db2.gz JICVIWHXRBAIQU-UHFFFAOYSA-N 0 0 377.488 4.046 20 30 GIEDRN CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1)C(C)C ZINC000184027484 822567090 /nfs/dbraw/zinc/56/70/90/822567090.db2.gz JFTWERBJWBRTGP-MRXNPFEDSA-N 0 0 394.475 4.378 20 30 GIEDRN CC(=O)N(Cc1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1)C1CC1 ZINC000184032007 822567839 /nfs/dbraw/zinc/56/78/39/822567839.db2.gz BGDBFDRWGZOPOW-HNNXBMFYSA-N 0 0 392.459 4.132 20 30 GIEDRN N#C[C@@H](NC(=O)c1cc(OCC(F)F)ccn1)c1cccc(Cl)c1Cl ZINC000179866140 822568337 /nfs/dbraw/zinc/56/83/37/822568337.db2.gz KWGTZAKNUNQVON-CYBMUJFWSA-N 0 0 386.185 4.027 20 30 GIEDRN Cc1cnc([C@H](C)CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)s1 ZINC000184042363 822569565 /nfs/dbraw/zinc/56/95/65/822569565.db2.gz ARPVRPQISVFZTF-OAHLLOKOSA-N 0 0 391.496 4.436 20 30 GIEDRN C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H]1n1ccnc1 ZINC000179876519 822569807 /nfs/dbraw/zinc/56/98/07/822569807.db2.gz LIOHQRYKGQRFRV-FDDCHVKYSA-N 0 0 399.498 4.214 20 30 GIEDRN CCC(CC)(CCO)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179879111 822570158 /nfs/dbraw/zinc/57/01/58/822570158.db2.gz XJJHIXUTAPRIHL-UHFFFAOYSA-N 0 0 379.504 4.213 20 30 GIEDRN 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C=C(C)Cn1c(-c2ncccc2C)nnc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000460955501 823550075 /nfs/dbraw/zinc/55/00/75/823550075.db2.gz XULPWDNNDXGGMB-LJQANCHMSA-N 0 0 393.491 4.003 20 30 GIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000460956863 823550376 /nfs/dbraw/zinc/55/03/76/823550376.db2.gz DASOCRZYRVNPBJ-ULQDDVLXSA-N 0 0 377.492 4.072 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]1C1CCC1 ZINC000460957439 823550435 /nfs/dbraw/zinc/55/04/35/823550435.db2.gz MBAIFJHJKMOZIT-LJQANCHMSA-N 0 0 382.508 4.307 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC=C(COC)CC1 ZINC000460957326 823550548 /nfs/dbraw/zinc/55/05/48/823550548.db2.gz IANQYMUSQLASCT-UHFFFAOYSA-N 0 0 376.863 4.097 20 30 GIEDRN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000123906916 823550631 /nfs/dbraw/zinc/55/06/31/823550631.db2.gz LWQJSFREWSRZFD-IUODEOHRSA-N 0 0 383.366 4.105 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N(CCC)CCc1cccs1 ZINC000460958103 823550709 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CC(C)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 ZINC000461040578 823564034 /nfs/dbraw/zinc/56/40/34/823564034.db2.gz FIVMGNGFCDUREG-FPOVZHCZSA-N 0 0 393.535 4.258 20 30 GIEDRN C=CCc1cc(CN[C@@H](C)c2nc(-c3ccncc3)cs2)cc(OC)c1O ZINC000124064570 823564386 /nfs/dbraw/zinc/56/43/86/823564386.db2.gz XUYLEANORJEADI-AWEZNQCLSA-N 0 0 381.501 4.499 20 30 GIEDRN N#Cc1ccc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)cc1F ZINC000190346934 823565181 /nfs/dbraw/zinc/56/51/81/823565181.db2.gz ZNFGIKYKRFUBJI-UHFFFAOYSA-N 0 0 377.394 4.379 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@H](C1CCCC1)C(F)(F)F)c1ccccc1 ZINC000411341389 823565341 /nfs/dbraw/zinc/56/53/41/823565341.db2.gz ZGOBBRUOGVVWQP-DLBZAZTESA-N 0 0 382.426 4.047 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccc1 ZINC000411341391 823565372 /nfs/dbraw/zinc/56/53/72/823565372.db2.gz ZGOBBRUOGVVWQP-IRXDYDNUSA-N 0 0 382.426 4.047 20 30 GIEDRN C=CCOc1ccc(CN(Cc2ccc(S(C)(=O)=O)o2)C(C)(C)C)cc1 ZINC000411340528 823565402 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Cc1nc(-c2ccccc2)sc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000182104256 822095483 /nfs/dbraw/zinc/09/54/83/822095483.db2.gz VJFRQWFBDAJMEE-UHFFFAOYSA-N 0 0 393.516 4.417 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000182123845 822104214 /nfs/dbraw/zinc/10/42/14/822104214.db2.gz BCCNLKHMQZIPPC-OAHLLOKOSA-N 0 0 387.395 4.273 20 30 GIEDRN COc1cccc2sc(NCc3cn(C)nc3-c3ccc(C#N)cc3)nc21 ZINC000182173042 822131676 /nfs/dbraw/zinc/13/16/76/822131676.db2.gz CVAUSNWTVBCCRB-UHFFFAOYSA-N 0 0 375.457 4.189 20 30 GIEDRN COc1ccc(C(=O)/C=C/c2cccc(C)c2OC(F)F)cc1NC(C)=O ZINC000182287867 822188818 /nfs/dbraw/zinc/18/88/18/822188818.db2.gz MMDFBGAXOUYCER-VQHVLOKHSA-N 0 0 375.371 4.460 20 30 GIEDRN Cc1cc(NCC(=O)Nc2ccccc2SCC#N)nn1-c1ccc(C)cc1 ZINC000182330389 822204188 /nfs/dbraw/zinc/20/41/88/822204188.db2.gz JHAMLZORJTUGJE-UHFFFAOYSA-N 0 0 391.500 4.155 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(N)=O ZINC000182376091 822220750 /nfs/dbraw/zinc/22/07/50/822220750.db2.gz HCGPGLIGXWASTH-UHFFFAOYSA-N 0 0 398.422 4.044 20 30 GIEDRN N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc2c1CCCC2 ZINC000182480206 822259188 /nfs/dbraw/zinc/25/91/88/822259188.db2.gz OIRLKXNTEXXPLS-UHFFFAOYSA-N 0 0 393.371 4.260 20 30 GIEDRN C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCC(OCC)CC2)c1=S ZINC000177986356 822269895 /nfs/dbraw/zinc/26/98/95/822269895.db2.gz JNQDESCJIWIXDC-UHFFFAOYSA-N 0 0 392.956 4.379 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000182500953 822270320 /nfs/dbraw/zinc/27/03/20/822270320.db2.gz FLYNRGLBPSJYKJ-QUCCMNQESA-N 0 0 386.904 4.091 20 30 GIEDRN N#Cc1ccc(C[S@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000177992302 822273043 /nfs/dbraw/zinc/27/30/43/822273043.db2.gz WXMPQYZHKDQUBT-MHZLTWQESA-N 0 0 391.374 4.076 20 30 GIEDRN N#Cc1ccc(C[S@@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000177992289 822273192 /nfs/dbraw/zinc/27/31/92/822273192.db2.gz WXMPQYZHKDQUBT-HHHXNRCGSA-N 0 0 391.374 4.076 20 30 GIEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000182510267 822275015 /nfs/dbraw/zinc/27/50/15/822275015.db2.gz UQEFDVRJIDOLQU-UHFFFAOYSA-N 0 0 399.299 4.052 20 30 GIEDRN N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000177995554 822275395 /nfs/dbraw/zinc/27/53/95/822275395.db2.gz BYGCJDMLRTXIAK-UHFFFAOYSA-N 0 0 379.423 4.117 20 30 GIEDRN C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000182515114 822277553 /nfs/dbraw/zinc/27/75/53/822277553.db2.gz VQBKVDNGFPRBJU-LBPRGKRZSA-N 0 0 394.324 4.024 20 30 GIEDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000178046456 822298504 /nfs/dbraw/zinc/29/85/04/822298504.db2.gz NSGRUWVMYCNJLA-VFUKXHBFSA-N 0 0 380.513 4.035 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000182564656 822305182 /nfs/dbraw/zinc/30/51/82/822305182.db2.gz PNRFHNUSBSBYIB-OAHLLOKOSA-N 0 0 376.435 4.403 20 30 GIEDRN CCc1cc(C#N)c(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)s1 ZINC000182566773 822305853 /nfs/dbraw/zinc/30/58/53/822305853.db2.gz RQZAEILEAQHQLV-SECBINFHSA-N 0 0 384.427 4.300 20 30 GIEDRN Cc1cc(C)cc(OCc2noc(CNc3ccccc3O[C@H](C)C#N)n2)c1 ZINC000182592375 822315086 /nfs/dbraw/zinc/31/50/86/822315086.db2.gz YZFKLWTVYJRCRR-MRXNPFEDSA-N 0 0 378.432 4.168 20 30 GIEDRN CCOc1ccc(N(CCC#N)C(=O)c2cnc(OCC3CC3)c(Cl)c2)cc1 ZINC000182627396 822328592 /nfs/dbraw/zinc/32/85/92/822328592.db2.gz GEDYNEUBDBUMCK-UHFFFAOYSA-N 0 0 399.878 4.483 20 30 GIEDRN COc1cccc(-c2nc(CS(=O)(=O)CCCC(C)(C)C#N)cs2)c1 ZINC000178156590 822336618 /nfs/dbraw/zinc/33/66/18/822336618.db2.gz DFNHVFYZTWJDLC-UHFFFAOYSA-N 0 0 378.519 4.063 20 30 GIEDRN Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000178183427 822345372 /nfs/dbraw/zinc/34/53/72/822345372.db2.gz FNRZEPRFDBYALX-CABCVRRESA-N 0 0 399.454 4.310 20 30 GIEDRN Cc1nnc(SCC(=O)N[C@H](c2ccccc2)C2CCCC2)c(C#N)c1C ZINC000182701488 822355012 /nfs/dbraw/zinc/35/50/12/822355012.db2.gz AKPPARSKCBDRKO-HXUWFJFHSA-N 0 0 380.517 4.105 20 30 GIEDRN Cn1c2cc(NC(=O)c3ccccc3Oc3ccccc3C#N)ccc2oc1=O ZINC000182702455 822355326 /nfs/dbraw/zinc/35/53/26/822355326.db2.gz NJVKTZXDIDKBPN-UHFFFAOYSA-N 0 0 385.379 4.048 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H](C)c1sc(CC)nc1C ZINC000453412434 822359332 /nfs/dbraw/zinc/35/93/32/822359332.db2.gz HLBNBDAKVKMZFH-CFVMTHIKSA-N 0 0 375.542 4.229 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(Cc2cccc(F)c2)CC1 ZINC000453415303 822359683 /nfs/dbraw/zinc/35/96/83/822359683.db2.gz RMEYVZRVNNCWGZ-JXFKEZNVSA-N 0 0 384.499 4.302 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453414829 822359812 /nfs/dbraw/zinc/35/98/12/822359812.db2.gz PEAKQVBJENRAJY-URZNZNTCSA-N 0 0 378.520 4.477 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N(CC)Cc1ccccc1Br ZINC000453417161 822360152 /nfs/dbraw/zinc/36/01/52/822360152.db2.gz YOTHCCICXFJNGL-MRXNPFEDSA-N 0 0 391.313 4.105 20 30 GIEDRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)NCC#Cc1ccccc1 ZINC000045060554 822360570 /nfs/dbraw/zinc/36/05/70/822360570.db2.gz ZQTZDUJDCFCRPO-UHFFFAOYSA-N 0 0 391.902 4.161 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000453423292 822360909 /nfs/dbraw/zinc/36/09/09/822360909.db2.gz CTXWSRYVKVTRIC-KRWDZBQOSA-N 0 0 390.890 4.434 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cc(Cl)ccc1OC ZINC000453428058 822361668 /nfs/dbraw/zinc/36/16/68/822361668.db2.gz ZJCVZGHHYJFMGG-QGZVFWFLSA-N 0 0 376.888 4.004 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000453442305 822363776 /nfs/dbraw/zinc/36/37/76/822363776.db2.gz PDKKOJFKIWQNOE-XLIONFOSSA-N 0 0 384.524 4.029 20 30 GIEDRN C=CCn1c(N2CCn3c(cc4cc(Cl)ccc43)C2)nnc1[C@@]1(C)CCCO1 ZINC000453445110 822363987 /nfs/dbraw/zinc/36/39/87/822363987.db2.gz UADDSWGJQCLIJZ-OAQYLSRUSA-N 0 0 397.910 4.118 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CC=C(c2c(F)cccc2F)CC1 ZINC000453445826 822364222 /nfs/dbraw/zinc/36/42/22/822364222.db2.gz VFSQXBASGFIXRB-GOSISDBHSA-N 0 0 386.446 4.278 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCn2c(cc3c2cccc3Cl)C1 ZINC000453447418 822364461 /nfs/dbraw/zinc/36/44/61/822364461.db2.gz XHKFUILEAIWVQK-IBGZPJMESA-N 0 0 397.910 4.334 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000453448030 822364469 /nfs/dbraw/zinc/36/44/69/822364469.db2.gz XRZZWLCKJPRFSO-YLJYHZDGSA-N 0 0 392.425 4.059 20 30 GIEDRN C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC000453447909 822364535 /nfs/dbraw/zinc/36/45/35/822364535.db2.gz BECPGYZAYWZTPV-NRFANRHFSA-N 0 0 386.540 4.308 20 30 GIEDRN C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000453449008 822364739 /nfs/dbraw/zinc/36/47/39/822364739.db2.gz DETSFDKNQFSVKU-GOSISDBHSA-N 0 0 380.536 4.436 20 30 GIEDRN N#Cc1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1Cl ZINC000182777298 822366072 /nfs/dbraw/zinc/36/60/72/822366072.db2.gz UEGRNDLNXGGTCJ-DLBZAZTESA-N 0 0 377.778 4.142 20 30 GIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000453451927 822366089 /nfs/dbraw/zinc/36/60/89/822366089.db2.gz LBFBLSHEQAAKLT-UHFFFAOYSA-N 0 0 378.520 4.190 20 30 GIEDRN C=CCSc1ccccc1NC(=O)CNc1ccc(C(=O)NC)c(Cl)c1 ZINC000178318070 822366946 /nfs/dbraw/zinc/36/69/46/822366946.db2.gz AUTGLXSGJXHMAJ-UHFFFAOYSA-N 0 0 389.908 4.028 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCC3)C(C)C)o2)cc1 ZINC000178330895 822367929 /nfs/dbraw/zinc/36/79/29/822367929.db2.gz XQZYGERCROIOQW-QGZVFWFLSA-N 0 0 387.505 4.041 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000453460956 822368891 /nfs/dbraw/zinc/36/88/91/822368891.db2.gz FJXMYMWBVWFHLK-YLJYHZDGSA-N 0 0 390.890 4.434 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)Cc1ccccc1OC ZINC000453462588 822369230 /nfs/dbraw/zinc/36/92/30/822369230.db2.gz IFYFPXPHZSFMLM-XLIONFOSSA-N 0 0 384.524 4.172 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](c2c(F)cccc2F)C1 ZINC000453462267 822369288 /nfs/dbraw/zinc/36/92/88/822369288.db2.gz HNNPIEXVKLPLPW-YJBOKZPZSA-N 0 0 388.462 4.368 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000045196796 822369686 /nfs/dbraw/zinc/36/96/86/822369686.db2.gz FUDJMOMWVSSOHN-UHFFFAOYSA-N 0 0 384.911 4.191 20 30 GIEDRN C=C(C)Cn1c(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nnc1[C@]1(C)CCCO1 ZINC000453465272 822370068 /nfs/dbraw/zinc/37/00/68/822370068.db2.gz MFBZJJNQECUBML-YJBOKZPZSA-N 0 0 398.473 4.439 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(Cc2ccc(F)cc2)CC1 ZINC000453466016 822370301 /nfs/dbraw/zinc/37/03/01/822370301.db2.gz OLKCTIPHPJSWBO-FQEVSTJZSA-N 0 0 384.499 4.304 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(C)CCCO1 ZINC000453466516 822370438 /nfs/dbraw/zinc/37/04/38/822370438.db2.gz OGAYCCMVCNTJNA-JLTOFOAXSA-N 0 0 376.451 4.355 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000453466312 822370446 /nfs/dbraw/zinc/37/04/46/822370446.db2.gz OSWDGSWGLFNHCL-RTWAWAEBSA-N 0 0 396.535 4.281 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453466386 822370452 /nfs/dbraw/zinc/37/04/52/822370452.db2.gz PCNNPLRMWSMUAG-SFHLNBCPSA-N 0 0 396.535 4.487 20 30 GIEDRN C=C(C)Cn1c(N2CCc3c(F)cc(F)cc3[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453466623 822370625 /nfs/dbraw/zinc/37/06/25/822370625.db2.gz OZKBEAUHSKHMJS-LHSJRXKWSA-N 0 0 388.462 4.282 20 30 GIEDRN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC000453467472 822370867 /nfs/dbraw/zinc/37/08/67/822370867.db2.gz QUQKJBHXWMFDDX-DENIHFKCSA-N 0 0 396.560 4.254 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC000453467169 822370894 /nfs/dbraw/zinc/37/08/94/822370894.db2.gz QKXLLIOYFKAZST-NRFANRHFSA-N 0 0 395.551 4.332 20 30 GIEDRN C[C@]1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CCCC[C@@H]1O ZINC000178360269 822371080 /nfs/dbraw/zinc/37/10/80/822371080.db2.gz APTRMYNFWVKMNM-RBBKRZOGSA-N 0 0 380.513 4.380 20 30 GIEDRN C=C(C)Cn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1[C@@]1(C)CCCO1 ZINC000453470881 822371861 /nfs/dbraw/zinc/37/18/61/822371861.db2.gz RMLOSCDNXMJWEY-NZQKXSOJSA-N 0 0 396.535 4.065 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@H](C)c2cc(F)ccc2F)nnc1[C@@]1(C)CCCO1 ZINC000453472418 822372447 /nfs/dbraw/zinc/37/24/47/822372447.db2.gz XETQTGUXEDKKKI-JLTOFOAXSA-N 0 0 376.451 4.355 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCc2cc(OCCC)ccc2C1 ZINC000453472063 822372472 /nfs/dbraw/zinc/37/24/72/822372472.db2.gz VQKQTQJOZMSPKZ-HXUWFJFHSA-N 0 0 382.508 4.057 20 30 GIEDRN N#C[C@@H](NC(=O)Cc1cc(Br)ccc1F)c1ccccc1Cl ZINC000178374705 822372758 /nfs/dbraw/zinc/37/27/58/822372758.db2.gz BDMPFQYQUDBWHZ-OAHLLOKOSA-N 0 0 381.632 4.165 20 30 GIEDRN Cc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000045246330 822372968 /nfs/dbraw/zinc/37/29/68/822372968.db2.gz KCWAXJADFXZESE-UHFFFAOYSA-N 0 0 392.484 4.123 20 30 GIEDRN Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000045246486 822373131 /nfs/dbraw/zinc/37/31/31/822373131.db2.gz MKRRIHNZQSGGNG-UHFFFAOYSA-N 0 0 375.428 4.014 20 30 GIEDRN Cc1cc(CSc2ccccc2C(=O)N(C)Cc2ccc(C#N)cc2)on1 ZINC000045250511 822373700 /nfs/dbraw/zinc/37/37/00/822373700.db2.gz YYKZVNPQPCLQKC-UHFFFAOYSA-N 0 0 377.469 4.419 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000045264597 822374636 /nfs/dbraw/zinc/37/46/36/822374636.db2.gz LHYYVDXOMJXMSW-HXUWFJFHSA-N 0 0 378.451 4.046 20 30 GIEDRN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cccc(C#N)c1C ZINC000178404472 822375909 /nfs/dbraw/zinc/37/59/09/822375909.db2.gz USCUNJZTACEKIQ-UHFFFAOYSA-N 0 0 382.826 4.465 20 30 GIEDRN C=CCn1c(SC[C@H](O)COc2ccccc2F)nnc1-c1ccc(C)cc1 ZINC000178425427 822377998 /nfs/dbraw/zinc/37/79/98/822377998.db2.gz PJUOLLZDRYRJKO-QGZVFWFLSA-N 0 0 399.491 4.111 20 30 GIEDRN COc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2-c2ccco2)cc1 ZINC000178431533 822378369 /nfs/dbraw/zinc/37/83/69/822378369.db2.gz IFRUDDPABDCCQT-CQSZACIVSA-N 0 0 379.445 4.072 20 30 GIEDRN COc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2-c2ccco2)cc1 ZINC000178431520 822378420 /nfs/dbraw/zinc/37/84/20/822378420.db2.gz IFRUDDPABDCCQT-AWEZNQCLSA-N 0 0 379.445 4.072 20 30 GIEDRN C=CCN(CC1CCCCC1)c1nnc([C@]2(C)CCCO2)n1C[C@H]1CCCO1 ZINC000453497513 822378775 /nfs/dbraw/zinc/37/87/75/822378775.db2.gz 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C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCO1 ZINC000453524064 822382728 /nfs/dbraw/zinc/38/27/28/822382728.db2.gz UEGQDBKRTJWBMN-LEWJYISDSA-N 0 0 396.535 4.281 20 30 GIEDRN Cc1cccc([C@H]2CCCN2C(=O)NCCSCc2ccccc2C#N)n1 ZINC000178483641 822384228 /nfs/dbraw/zinc/38/42/28/822384228.db2.gz DYOJSLGSXYEKET-HXUWFJFHSA-N 0 0 380.517 4.042 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000045403570 822384905 /nfs/dbraw/zinc/38/49/05/822384905.db2.gz BMSXJEKIXFCPRX-JOCHJYFZSA-N 0 0 378.472 4.168 20 30 GIEDRN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cc1 ZINC000453578585 822387381 /nfs/dbraw/zinc/38/73/81/822387381.db2.gz OWVGGUIFLLLCEO-HNNXBMFYSA-N 0 0 393.487 4.114 20 30 GIEDRN CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000453580579 822388028 /nfs/dbraw/zinc/38/80/28/822388028.db2.gz QPCBTHMLTYQZHV-AWEZNQCLSA-N 0 0 383.879 4.345 20 30 GIEDRN C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC000453582686 822388165 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GIEDRN CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000045500090 822391105 /nfs/dbraw/zinc/39/11/05/822391105.db2.gz UCFKOHSDMCIFDZ-MRXNPFEDSA-N 0 0 395.528 4.082 20 30 GIEDRN CCN(C(=O)c1ccc(OCc2noc(C)n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500780 822391251 /nfs/dbraw/zinc/39/12/51/822391251.db2.gz WUOWRFGLOXJXQO-HNNXBMFYSA-N 0 0 390.443 4.052 20 30 GIEDRN CCN(C(=O)c1cnn(-c2ccc(F)cc2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000045501260 822391517 /nfs/dbraw/zinc/39/15/17/822391517.db2.gz GRSZAPZRLKEAGC-HNNXBMFYSA-N 0 0 376.435 4.415 20 30 GIEDRN Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000453604726 822391756 /nfs/dbraw/zinc/39/17/56/822391756.db2.gz ROOOUIVPIKTNBK-IBGZPJMESA-N 0 0 381.863 4.017 20 30 GIEDRN Fc1cc(F)c(F)c(OCc2nc(-c3cc(F)c(F)c(F)c3)no2)c1F ZINC000178558337 822391763 /nfs/dbraw/zinc/39/17/63/822391763.db2.gz QGPSZLSQLOFVPL-UHFFFAOYSA-N 0 0 378.203 4.289 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000178557707 822391845 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N#CCc1cccc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000453645077 822397676 /nfs/dbraw/zinc/39/76/76/822397676.db2.gz RXGHHCPQGKAOLU-IBGZPJMESA-N 0 0 381.863 4.002 20 30 GIEDRN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2c2ccco2)s1 ZINC000453652216 822398197 /nfs/dbraw/zinc/39/81/97/822398197.db2.gz ZFGIFRZHCDOQEV-CQSZACIVSA-N 0 0 385.489 4.203 20 30 GIEDRN Cc1cc([C@@H](C)NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)ccc1F ZINC000453659232 822398799 /nfs/dbraw/zinc/39/87/99/822398799.db2.gz BXOYENLIHZQPQP-GFCCVEGCSA-N 0 0 387.480 4.181 20 30 GIEDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)c2ccccc21 ZINC000453660325 822398912 /nfs/dbraw/zinc/39/89/12/822398912.db2.gz BBSJFQZVTYBMOP-FZKQIMNGSA-N 0 0 381.863 4.099 20 30 GIEDRN N#CCC[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000178641310 822398926 /nfs/dbraw/zinc/39/89/26/822398926.db2.gz UAYYPSVCEJBBDR-KRWDZBQOSA-N 0 0 377.366 4.429 20 30 GIEDRN Cc1cc(C#N)ccc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000178656519 822399946 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CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)CCC2 ZINC000453691668 822401024 /nfs/dbraw/zinc/40/10/24/822401024.db2.gz KONAVQXUELJBNJ-NRFANRHFSA-N 0 0 375.472 4.008 20 30 GIEDRN Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453697386 822401428 /nfs/dbraw/zinc/40/14/28/822401428.db2.gz XSLJGCSNBVPFQV-MRXNPFEDSA-N 0 0 393.487 4.168 20 30 GIEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000178679987 822402289 /nfs/dbraw/zinc/40/22/89/822402289.db2.gz LEYIUMSLEYIYNX-UHFFFAOYSA-N 0 0 381.233 4.067 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1cn(-c2ccccc2)nc1C ZINC000182976525 822402874 /nfs/dbraw/zinc/40/28/74/822402874.db2.gz YVMGQRMCPCEBRT-UHFFFAOYSA-N 0 0 378.451 4.218 20 30 GIEDRN CCN(C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000453708955 822402893 /nfs/dbraw/zinc/40/28/93/822402893.db2.gz LNLSYARDDINPRN-ZDUSSCGKSA-N 0 0 399.516 4.171 20 30 GIEDRN CC[C@H](C)[C@@H](C)N(C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1 ZINC000453720253 822404423 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CSc1ccc(C)c(NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1 ZINC000453766386 822408453 /nfs/dbraw/zinc/40/84/53/822408453.db2.gz XFBJLSNDRCNQKX-UHFFFAOYSA-N 0 0 397.500 4.343 20 30 GIEDRN CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)ccc21 ZINC000453771186 822408769 /nfs/dbraw/zinc/40/87/69/822408769.db2.gz UDFLJILGOXIWNS-UHFFFAOYSA-N 0 0 396.878 4.143 20 30 GIEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000178796037 822410817 /nfs/dbraw/zinc/41/08/17/822410817.db2.gz LVOHWQFNSOEVQA-OALUTQOASA-N 0 0 398.482 4.374 20 30 GIEDRN Cc1nc(NC(=O)C(=O)N(CC(C)C)[C@H](C)c2ccccc2Cl)ccc1C#N ZINC000453782627 822411145 /nfs/dbraw/zinc/41/11/45/822411145.db2.gz IMVDFKWCAKJVMZ-OAHLLOKOSA-N 0 0 398.894 4.099 20 30 GIEDRN C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000178801393 822411531 /nfs/dbraw/zinc/41/15/31/822411531.db2.gz GMCCVEILPVNMKC-OXJNMPFZSA-N 0 0 392.459 4.048 20 30 GIEDRN CCCCOc1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000183027426 822413836 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CC(C)(CC#N)CNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000457986999 822947712 /nfs/dbraw/zinc/94/77/12/822947712.db2.gz JNUPRMRISZJDIT-UHFFFAOYSA-N 0 0 378.501 4.296 20 30 GIEDRN CC(C)(CC#N)CNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000457986238 822947776 /nfs/dbraw/zinc/94/77/76/822947776.db2.gz HWJDYAIAMYLZMX-UHFFFAOYSA-N 0 0 388.265 4.306 20 30 GIEDRN N#Cc1c(F)cc(CNC(=O)c2ccc(Sc3ccccn3)cc2)cc1F ZINC000569634796 822948097 /nfs/dbraw/zinc/94/80/97/822948097.db2.gz ZBWXMKKYSZZXHX-UHFFFAOYSA-N 0 0 381.407 4.313 20 30 GIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000186742217 822948237 /nfs/dbraw/zinc/94/82/37/822948237.db2.gz ODGTVWIUMBZXPJ-UHFFFAOYSA-N 0 0 391.740 4.063 20 30 GIEDRN CN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000175367235 822948342 /nfs/dbraw/zinc/94/83/42/822948342.db2.gz XOSPPIWDGDDIJH-UHFFFAOYSA-N 0 0 394.374 4.144 20 30 GIEDRN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCC(C)(C)CC#N ZINC000457995834 822948820 /nfs/dbraw/zinc/94/88/20/822948820.db2.gz RLTYXDCBTXNZKE-UHFFFAOYSA-N 0 0 376.254 4.082 20 30 GIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC000569657519 822951342 /nfs/dbraw/zinc/95/13/42/822951342.db2.gz UNLGATPEBJGLOY-FFZOFVMBSA-N 0 0 382.508 4.302 20 30 GIEDRN Cc1ccc2nc(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)cn2c1 ZINC000055319857 822951886 /nfs/dbraw/zinc/95/18/86/822951886.db2.gz AMOVTNBKDHVNQU-UHFFFAOYSA-N 0 0 396.450 4.023 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)Cn1nc(C)c(Cl)c1C ZINC000458031169 822952155 /nfs/dbraw/zinc/95/21/55/822952155.db2.gz IWDDWRRTUCQEGV-UHFFFAOYSA-N 0 0 398.688 4.119 20 30 GIEDRN N#Cc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000055338981 822953372 /nfs/dbraw/zinc/95/33/72/822953372.db2.gz MJSYSWJKVBEVFS-UHFFFAOYSA-N 0 0 388.402 4.271 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)CCc1nc(C)cs1 ZINC000458046742 822953503 /nfs/dbraw/zinc/95/35/03/822953503.db2.gz YMQJLNRPMFHXDX-UHFFFAOYSA-N 0 0 381.295 4.350 20 30 GIEDRN CCc1nc(C(=O)OC[C@H](C#N)Cc2ccccc2)nn1-c1ccccc1Cl ZINC000175385379 822954167 /nfs/dbraw/zinc/95/41/67/822954167.db2.gz TZKIMYAGEMRBMG-INIZCTEOSA-N 0 0 394.862 4.022 20 30 GIEDRN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)c2cccc(C#N)c2)n1C ZINC000569685120 822955126 /nfs/dbraw/zinc/95/51/26/822955126.db2.gz DZOROABNPPWQHP-HUUCEWRRSA-N 0 0 379.439 4.163 20 30 GIEDRN N#CCN(C(=O)CSc1nc2cc(F)cc(Cl)c2o1)c1ccccc1 ZINC000186804411 822958369 /nfs/dbraw/zinc/95/83/69/822958369.db2.gz UNGLJFIYGKKIER-UHFFFAOYSA-N 0 0 375.812 4.269 20 30 GIEDRN C=CCc1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc(OC)c1OC ZINC000458102328 822958490 /nfs/dbraw/zinc/95/84/90/822958490.db2.gz AHXAQPMHMGCYGX-NRFANRHFSA-N 0 0 395.503 4.120 20 30 GIEDRN C=CCn1c(CC(F)(F)F)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC000569724258 822959425 /nfs/dbraw/zinc/95/94/25/822959425.db2.gz WWDMOCWWDGXFLD-UHFFFAOYSA-N 0 0 378.320 4.224 20 30 GIEDRN COc1ccc(CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC000055425463 822961269 /nfs/dbraw/zinc/96/12/69/822961269.db2.gz VAZGLPJIFRBEFG-UHFFFAOYSA-N 0 0 395.808 4.468 20 30 GIEDRN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccc(C#N)c1)C1CC1 ZINC000569761398 822964883 /nfs/dbraw/zinc/96/48/83/822964883.db2.gz PATJEORPGOQOGN-OAQYLSRUSA-N 0 0 396.874 4.050 20 30 GIEDRN COc1cc(C)c(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000186847635 822967006 /nfs/dbraw/zinc/96/70/06/822967006.db2.gz BNNTVECNMSLSKJ-UHFFFAOYSA-N 0 0 383.423 4.090 20 30 GIEDRN N#CC1(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000569788175 822969241 /nfs/dbraw/zinc/96/92/41/822969241.db2.gz NZNTVABGGHGJLJ-UHFFFAOYSA-N 0 0 390.874 4.285 20 30 GIEDRN CCOc1ccccc1Oc1ccc(CNC(=O)c2cccc(F)c2C#N)cn1 ZINC000186860412 822969769 /nfs/dbraw/zinc/96/97/69/822969769.db2.gz FCACFBAMVDLZDE-UHFFFAOYSA-N 0 0 391.402 4.213 20 30 GIEDRN N#Cc1ccc(C2(C(=O)Nc3cc(Cl)ccc3OC[C@@H]3CCOC3)CC2)cc1 ZINC000186865713 822970916 /nfs/dbraw/zinc/97/09/16/822970916.db2.gz OSFXEXHUGRHQBH-MRXNPFEDSA-N 0 0 396.874 4.297 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)o1 ZINC000175464645 822975486 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Cc1cccc(-c2nc(CC(=O)N[C@]3(C#N)CCc4ccccc4C3)cs2)c1 ZINC000183983039 822557773 /nfs/dbraw/zinc/55/77/73/822557773.db2.gz JKNGNJNGIWFIPG-HSZRJFAPSA-N 0 0 387.508 4.229 20 30 GIEDRN N#C[C@@]1(NC(=O)c2cnc(-c3ccccc3F)s2)CCc2ccccc2C1 ZINC000183998442 822560672 /nfs/dbraw/zinc/56/06/72/822560672.db2.gz GJNQMDVNVKKMCN-OAQYLSRUSA-N 0 0 377.444 4.130 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000179850699 822566209 /nfs/dbraw/zinc/56/62/09/822566209.db2.gz RDXHLVWQVZQLPE-UHFFFAOYSA-N 0 0 384.233 4.453 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000179858968 822567531 /nfs/dbraw/zinc/56/75/31/822567531.db2.gz DAVNTHSZYFFIMM-UHFFFAOYSA-N 0 0 385.467 4.308 20 30 GIEDRN CC(C)Oc1ccc(NC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000455004862 822569006 /nfs/dbraw/zinc/56/90/06/822569006.db2.gz SSGSATYBOFJMER-LJQANCHMSA-N 0 0 383.423 4.090 20 30 GIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000179875603 822569484 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GIEDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180025993 822599556 /nfs/dbraw/zinc/59/95/56/822599556.db2.gz SOIXCDVOAVJKAF-OAHLLOKOSA-N 0 0 389.459 4.102 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)NCCc1cc2ccccc2s1 ZINC000455164951 822600400 /nfs/dbraw/zinc/60/04/00/822600400.db2.gz JOYUNRNJSQFRKS-UHFFFAOYSA-N 0 0 380.473 4.343 20 30 GIEDRN CCCC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)OC ZINC000184247119 822602412 /nfs/dbraw/zinc/60/24/12/822602412.db2.gz DCXMUHBOBBBDFV-QGZVFWFLSA-N 0 0 382.485 4.171 20 30 GIEDRN C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccc(-n2cccn2)cc1 ZINC000180050108 822604429 /nfs/dbraw/zinc/60/44/29/822604429.db2.gz OLJVBVFTUUOIKW-JKSUJKDBSA-N 0 0 375.432 4.046 20 30 GIEDRN Cc1cc(-c2cc(C(=O)O[C@H](C#N)C3CC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000180065708 822607680 /nfs/dbraw/zinc/60/76/80/822607680.db2.gz CNOAHRVPDXVUFV-LJQANCHMSA-N 0 0 378.432 4.348 20 30 GIEDRN CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccccc1O[C@H](C)C#N)C2 ZINC000180066362 822607913 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GIEDRN CCCc1c(NC(=O)N(C)Cc2cccc(C)n2)cnn1-c1cccc(C#N)c1 ZINC000455228402 822612906 /nfs/dbraw/zinc/61/29/06/822612906.db2.gz NEBWWQZZYLXVJK-UHFFFAOYSA-N 0 0 388.475 4.064 20 30 GIEDRN C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1nc(C2CCCCC2)no1 ZINC000180088877 822613039 /nfs/dbraw/zinc/61/30/39/822613039.db2.gz XCIWBAOTTLLHEX-UONOGXRCSA-N 0 0 383.452 4.291 20 30 GIEDRN Cc1cccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000455229637 822613194 /nfs/dbraw/zinc/61/31/94/822613194.db2.gz APZUFOQURZUCHT-QGZVFWFLSA-N 0 0 390.487 4.461 20 30 GIEDRN CN(C(=O)CSc1ccccc1C(=O)OCC(C)(C)C#N)C1CCCCC1 ZINC000180090578 822613428 /nfs/dbraw/zinc/61/34/28/822613428.db2.gz ZXOSRYNMBJDWPG-UHFFFAOYSA-N 0 0 388.533 4.276 20 30 GIEDRN Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)c3ccc(C#N)cc3)cc2F)n1 ZINC000047860066 822614469 /nfs/dbraw/zinc/61/44/69/822614469.db2.gz JHRQUIAHAPOJFC-OAHLLOKOSA-N 0 0 377.423 4.383 20 30 GIEDRN N#C[C@H](COC(=O)c1ccc(OCc2ccccc2)nc1)Cc1cccs1 ZINC000180104707 822616112 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Cc1c(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cnn1C(C)C ZINC000180134998 822623415 /nfs/dbraw/zinc/62/34/15/822623415.db2.gz BFSLMZHMYWKDKY-QFIPXVFZSA-N 0 0 388.471 4.346 20 30 GIEDRN C=C(C)CCNC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000455273133 822623696 /nfs/dbraw/zinc/62/36/96/822623696.db2.gz VZMBLQNJQXXFCR-UHFFFAOYSA-N 0 0 392.091 4.308 20 30 GIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380135 822625149 /nfs/dbraw/zinc/62/51/49/822625149.db2.gz CGVJKLGBLVDQIM-UHFFFAOYSA-N 0 0 398.879 4.201 20 30 GIEDRN N#Cc1cc(NCc2ncc(-c3ccccc3)s2)ccc1N1CCC(O)CC1 ZINC000180145838 822626122 /nfs/dbraw/zinc/62/61/22/822626122.db2.gz LWUWHXZUUBQQFS-UHFFFAOYSA-N 0 0 390.512 4.255 20 30 GIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000184386941 822626381 /nfs/dbraw/zinc/62/63/81/822626381.db2.gz ZXWCKMMFYCGZNH-UHFFFAOYSA-N 0 0 397.478 4.052 20 30 GIEDRN N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000455284104 822626999 /nfs/dbraw/zinc/62/69/99/822626999.db2.gz QDHZZKOUVMIROU-RRQGHBQHSA-N 0 0 376.298 4.378 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000048053564 822627401 /nfs/dbraw/zinc/62/74/01/822627401.db2.gz AIZKHLDWYRKJKA-KRWDZBQOSA-N 0 0 386.565 4.181 20 30 GIEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000180153354 822628104 /nfs/dbraw/zinc/62/81/04/822628104.db2.gz YOZKCAKOEONPJB-ZWNOBZJWSA-N 0 0 380.535 4.121 20 30 GIEDRN C=CCC[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000180162452 822630012 /nfs/dbraw/zinc/63/00/12/822630012.db2.gz TWTQDVGBCQULLQ-AWEZNQCLSA-N 0 0 394.309 4.199 20 30 GIEDRN CCCN(CC)c1ccc(C(=O)Nc2cc(C#N)ccc2OCCOC)cc1 ZINC000184426390 822632967 /nfs/dbraw/zinc/63/29/67/822632967.db2.gz CTNOAVJIRJRBNQ-UHFFFAOYSA-N 0 0 381.476 4.072 20 30 GIEDRN CC(C)Oc1ccc(NC(=O)NCc2ncc(-c3ccccc3)cn2)cc1C#N ZINC000184431725 822633686 /nfs/dbraw/zinc/63/36/86/822633686.db2.gz PGZDTTZWPGMGEA-UHFFFAOYSA-N 0 0 387.443 4.124 20 30 GIEDRN CC[C@@H](CC(=O)Nc1cc(C#N)ccc1OCCOC)c1ccc(OC)cc1 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/nfs/dbraw/zinc/77/21/16/823772116.db2.gz RGEFAZWJWMYVLS-VBSBHUPXSA-N 0 0 399.535 4.486 20 30 GIEDRN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461966332 823775009 /nfs/dbraw/zinc/77/50/09/823775009.db2.gz PXVOFIYQQFEJEN-WMQCIHAUSA-N 0 0 381.451 4.110 20 30 GIEDRN C[C@H](NC(=O)N1CCCO[C@H](CF)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000413434389 823777468 /nfs/dbraw/zinc/77/74/68/823777468.db2.gz GDUGNHOPLUBHNA-HRAATJIYSA-N 0 0 381.451 4.056 20 30 GIEDRN Cc1nc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c(Cl)cc1C#N ZINC000461972674 823777620 /nfs/dbraw/zinc/77/76/20/823777620.db2.gz OHZBOTKTHNJFQZ-WBMJQRKESA-N 0 0 381.785 4.246 20 30 GIEDRN Cc1nc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c(Cl)cc1C#N ZINC000461972673 823777750 /nfs/dbraw/zinc/77/77/50/823777750.db2.gz OHZBOTKTHNJFQZ-MLGOLLRUSA-N 0 0 381.785 4.246 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccccc1Br ZINC000064242354 823779163 /nfs/dbraw/zinc/77/91/63/823779163.db2.gz HQUKIJOCGJXSBG-UHFFFAOYSA-N 0 0 398.304 4.261 20 30 GIEDRN COc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1Cl ZINC000164118830 823779827 /nfs/dbraw/zinc/77/98/27/823779827.db2.gz MHTBSSUJYZGPDY-UHFFFAOYSA-N 0 0 396.830 4.322 20 30 GIEDRN N#Cc1cccc(CNC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000064267645 823783384 /nfs/dbraw/zinc/78/33/84/823783384.db2.gz ZGILNTFWFMLSMS-UHFFFAOYSA-N 0 0 383.451 4.160 20 30 GIEDRN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000126093289 823785366 /nfs/dbraw/zinc/78/53/66/823785366.db2.gz XJWLIMKQRSWUIQ-QGZVFWFLSA-N 0 0 387.842 4.193 20 30 GIEDRN Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1NC(=O)c1ccncc1 ZINC000461991106 823785986 /nfs/dbraw/zinc/78/59/86/823785986.db2.gz XOYDICCFYSPYFZ-MRXNPFEDSA-N 0 0 384.439 4.256 20 30 GIEDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000164209973 823786434 /nfs/dbraw/zinc/78/64/34/823786434.db2.gz OOTXLNSSAQVXCV-KFWWJZLASA-N 0 0 375.291 4.304 20 30 GIEDRN C[C@@H](Nc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000461993386 823787008 /nfs/dbraw/zinc/78/70/08/823787008.db2.gz KWIYCCHWHJXXCX-CYBMUJFWSA-N 0 0 375.266 4.255 20 30 GIEDRN N#CCCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000574639537 823788316 /nfs/dbraw/zinc/78/83/16/823788316.db2.gz BJSGESKRLYYBEX-UHFFFAOYSA-N 0 0 392.459 4.363 20 30 GIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)COc1ccc(O)cc1 ZINC000461996764 823788548 /nfs/dbraw/zinc/78/85/48/823788548.db2.gz JKUIUYJOPDSUBY-UHFFFAOYSA-N 0 0 388.423 4.169 20 30 GIEDRN N#CC1CCC(CNC(=O)NCc2cc(Cl)cc(Br)c2)CC1 ZINC000413504341 823788815 /nfs/dbraw/zinc/78/88/15/823788815.db2.gz AQWSUWHOPIXUIE-UHFFFAOYSA-N 0 0 384.705 4.232 20 30 GIEDRN CCCCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000126123950 823794301 /nfs/dbraw/zinc/79/43/01/823794301.db2.gz HCFVEIKAXGHDPQ-UHFFFAOYSA-N 0 0 385.851 4.201 20 30 GIEDRN C[C@@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccccc1C(F)(F)F ZINC000462012452 823794404 /nfs/dbraw/zinc/79/44/04/823794404.db2.gz ZAMWPFDPBBAQDX-CYBMUJFWSA-N 0 0 389.377 4.111 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc(Cn2ccc3ccccc32)n1C ZINC000574678082 823798790 /nfs/dbraw/zinc/79/87/90/823798790.db2.gz OHCXLUHREJVRNN-UHFFFAOYSA-N 0 0 375.451 4.150 20 30 GIEDRN C=CCN(CC(F)(F)F)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000126153276 823800952 /nfs/dbraw/zinc/80/09/52/823800952.db2.gz URZBZVHQJJFVFC-UHFFFAOYSA-N 0 0 377.288 4.082 20 30 GIEDRN COc1cccc(Cl)c1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000191880617 823802471 /nfs/dbraw/zinc/80/24/71/823802471.db2.gz NRGPVYMRJHHYOH-UHFFFAOYSA-N 0 0 396.830 4.322 20 30 GIEDRN CC(C)(C)[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(F)cc1F ZINC000164448136 823803453 /nfs/dbraw/zinc/80/34/53/823803453.db2.gz CLYUZFJXJPXLPN-SFHVURJKSA-N 0 0 396.434 4.182 20 30 GIEDRN Cc1ccnc([C@@H]2CCN(CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)c1 ZINC000574700709 823803689 /nfs/dbraw/zinc/80/36/89/823803689.db2.gz HNGOZBXNFDSUGV-GOSISDBHSA-N 0 0 396.922 4.088 20 30 GIEDRN COCC[C@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000413618866 823804356 /nfs/dbraw/zinc/80/43/56/823804356.db2.gz AHOHEMJOHWGTTG-KRWDZBQOSA-N 0 0 383.467 4.082 20 30 GIEDRN C=CCNc1ncc(C(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)s1 ZINC000126176078 823805441 /nfs/dbraw/zinc/80/54/41/823805441.db2.gz KXODPPOSMAGEHK-UHFFFAOYSA-N 0 0 397.447 4.013 20 30 GIEDRN CC(C)c1c(C(=O)Nc2ccn(CCC#N)n2)cnn1-c1ccccc1Cl ZINC000191900092 823807221 /nfs/dbraw/zinc/80/72/21/823807221.db2.gz LKJOWJGWWPCJRI-UHFFFAOYSA-N 0 0 382.855 4.012 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462064092 823817900 /nfs/dbraw/zinc/81/79/00/823817900.db2.gz VTGLZHJCCNKZFJ-HNNXBMFYSA-N 0 0 380.897 4.262 20 30 GIEDRN C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000462072746 823819612 /nfs/dbraw/zinc/81/96/12/823819612.db2.gz JDADPUJLSIYPLJ-IAGOWNOFSA-N 0 0 398.466 4.186 20 30 GIEDRN CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)S(=O)(=O)CC1(C#N)CC1 ZINC000164817973 823820963 /nfs/dbraw/zinc/82/09/63/823820963.db2.gz GUSWROMAHWKDRG-UHFFFAOYSA-N 0 0 392.521 4.398 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000064455797 823822097 /nfs/dbraw/zinc/82/20/97/823822097.db2.gz MVAWHMYKIWZQNG-UHFFFAOYSA-N 0 0 389.386 4.211 20 30 GIEDRN C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CS1 ZINC000413706512 823822641 /nfs/dbraw/zinc/82/26/41/823822641.db2.gz GCCXLADCYCBVCA-YWZLYKJASA-N 0 0 383.492 4.303 20 30 GIEDRN C=CCOc1ccc(-c2nnc(SCC(=O)c3ccccc3OC)o2)cc1 ZINC000126267126 823825069 /nfs/dbraw/zinc/82/50/69/823825069.db2.gz ABCNEPVVWRZJFK-UHFFFAOYSA-N 0 0 382.441 4.285 20 30 GIEDRN CC(C)(C)C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000462096158 823827076 /nfs/dbraw/zinc/82/70/76/823827076.db2.gz CHDOHTBTDVQEGL-LJQANCHMSA-N 0 0 388.475 4.438 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478360 823827271 /nfs/dbraw/zinc/82/72/71/823827271.db2.gz MLVFPTFGYDIJGN-UHFFFAOYSA-N 0 0 382.416 4.077 20 30 GIEDRN C=CCN(CCOC)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000191971029 823827666 /nfs/dbraw/zinc/82/76/66/823827666.db2.gz AWIUJVOKHTUYQP-UHFFFAOYSA-N 0 0 381.501 4.130 20 30 GIEDRN COc1ccc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1OC(F)F ZINC000164984147 823828682 /nfs/dbraw/zinc/82/86/82/823828682.db2.gz VYWQHZMDPZLFNX-XBXARRHUSA-N 0 0 387.382 4.422 20 30 GIEDRN C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)CC(F)(F)F ZINC000413742565 823830221 /nfs/dbraw/zinc/83/02/21/823830221.db2.gz DPFYQFNHXLYHAO-VIFPVBQESA-N 0 0 383.292 4.209 20 30 GIEDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000574799478 823830467 /nfs/dbraw/zinc/83/04/67/823830467.db2.gz TZWBBGZYJNYXIF-LLVKDONJSA-N 0 0 377.803 4.408 20 30 GIEDRN CN(C)c1nc2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2o1 ZINC000165048156 823831736 /nfs/dbraw/zinc/83/17/36/823831736.db2.gz UAIMWLBTSWJDLF-MJGOQNOKSA-N 0 0 389.459 4.197 20 30 GIEDRN COC(=O)C[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000574840096 823839733 /nfs/dbraw/zinc/83/97/33/823839733.db2.gz QULDAAKTSSMGQV-LLVKDONJSA-N 0 0 388.411 4.239 20 30 GIEDRN C[C@@H]1C[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)[C@@H](C)O1 ZINC000413783925 823841168 /nfs/dbraw/zinc/84/11/68/823841168.db2.gz ZVQOEEHLWCENOJ-MBOZVWFJSA-N 0 0 393.487 4.267 20 30 GIEDRN C[C@H](C(=O)NCC1(c2ccccc2Br)CC1)c1cccc(C#N)c1 ZINC000462137722 823841438 /nfs/dbraw/zinc/84/14/38/823841438.db2.gz KWMAYCLIJHWNJM-AWEZNQCLSA-N 0 0 383.289 4.272 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C(=O)N[C@@H](C)CC)C(C)C)o2)cc1 ZINC000126332843 823842504 /nfs/dbraw/zinc/84/25/04/823842504.db2.gz LZWKZINKSQGNES-WMLDXEAASA-N 0 0 389.521 4.333 20 30 GIEDRN CN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc2c(c1)OCO2 ZINC000574851159 823843137 /nfs/dbraw/zinc/84/31/37/823843137.db2.gz XMVKTJQDNLDJKW-UHFFFAOYSA-N 0 0 392.440 4.003 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000413828075 823846315 /nfs/dbraw/zinc/84/63/15/823846315.db2.gz UEDWRRQAUPWWHN-JOCHJYFZSA-N 0 0 376.500 4.478 20 30 GIEDRN C#CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC ZINC000192062739 823848072 /nfs/dbraw/zinc/84/80/72/823848072.db2.gz NQNAOJKTGJJLDV-UHFFFAOYSA-N 0 0 394.471 4.478 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000413836569 823848074 /nfs/dbraw/zinc/84/80/74/823848074.db2.gz PJIKNDHZNXQYRW-MOUTVQLLSA-N 0 0 390.527 4.388 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000413841830 823849560 /nfs/dbraw/zinc/84/95/60/823849560.db2.gz XJOAQKJGHXPSAP-RTBURBONSA-N 0 0 397.485 4.090 20 30 GIEDRN N#Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1C(F)(F)F ZINC000165535365 823852349 /nfs/dbraw/zinc/85/23/49/823852349.db2.gz FCAKHZCOVOFCST-UHFFFAOYSA-N 0 0 391.368 4.069 20 30 GIEDRN N#Cc1cc(NCC(=O)NC2CC2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000462170623 823852597 /nfs/dbraw/zinc/85/25/97/823852597.db2.gz PPIOJONXCJQFDO-UHFFFAOYSA-N 0 0 375.350 4.060 20 30 GIEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)C(C)=Cc2ccccc2Cl)cc1OC ZINC000165535831 823852533 /nfs/dbraw/zinc/85/25/33/823852533.db2.gz JLUKWNNMMNKNKO-ISBHARSQSA-N 0 0 398.846 4.108 20 30 GIEDRN Cc1cccc(N(CCC#N)C(=O)CNc2c(F)cccc2N2CCCC2)c1C ZINC000126393493 823855534 /nfs/dbraw/zinc/85/55/34/823855534.db2.gz ZCDODGWZWKTNOU-UHFFFAOYSA-N 0 0 394.494 4.402 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000574922115 823860724 /nfs/dbraw/zinc/86/07/24/823860724.db2.gz FIUGQLXBDKDTQK-GOSISDBHSA-N 0 0 381.394 4.413 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000126432954 823866002 /nfs/dbraw/zinc/86/60/02/823866002.db2.gz VZQRDCGRLLEUTL-UHFFFAOYSA-N 0 0 391.471 4.403 20 30 GIEDRN CCc1c(NC(=O)Cc2cccc(OCC#N)c2)cnn1-c1ccccc1Cl ZINC000192119072 823865959 /nfs/dbraw/zinc/86/59/59/823865959.db2.gz CMJOFHVOTTWWLI-UHFFFAOYSA-N 0 0 394.862 4.172 20 30 GIEDRN CC[C@@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)CC(F)(F)F ZINC000413925260 823867562 /nfs/dbraw/zinc/86/75/62/823867562.db2.gz ZSCRCCJRTXSFIO-MRVPVSSYSA-N 0 0 388.274 4.491 20 30 GIEDRN COc1cc(CNC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000574947970 823868872 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FLSNXOJIUGVNPY-FQEVSTJZSA-N 0 0 397.906 4.339 20 30 GIEDRN CC[C@@](C)(NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1nc(C)cs1 ZINC000176072464 823112874 /nfs/dbraw/zinc/11/28/74/823112874.db2.gz CAUNSFOQONKDRQ-QGZVFWFLSA-N 0 0 380.420 4.372 20 30 GIEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)O[C@@H](C#N)C1CC1 ZINC000176073507 823112930 /nfs/dbraw/zinc/11/29/30/823112930.db2.gz BATCGLRUXMISAE-KRWDZBQOSA-N 0 0 378.259 4.184 20 30 GIEDRN Cc1c(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cnn1-c1ccccc1 ZINC000187693814 823114433 /nfs/dbraw/zinc/11/44/33/823114433.db2.gz KJNLOKPRQUNPBW-CYBMUJFWSA-N 0 0 391.500 4.042 20 30 GIEDRN C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2Cc2ccccc2)CC1 ZINC000570988408 823116265 /nfs/dbraw/zinc/11/62/65/823116265.db2.gz SPCFTPDFUZFMNQ-UHFFFAOYSA-N 0 0 383.499 4.486 20 30 GIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000121089005 823116417 /nfs/dbraw/zinc/11/64/17/823116417.db2.gz DDEDVOWRPHPICM-UHFFFAOYSA-N 0 0 398.434 4.289 20 30 GIEDRN C=CCOc1cccc(NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)c1 ZINC000121090153 823116647 /nfs/dbraw/zinc/11/66/47/823116647.db2.gz ZKUAVLLYCGDKEF-UHFFFAOYSA-N 0 0 393.487 4.207 20 30 GIEDRN N#Cc1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Cl ZINC000121102480 823118821 /nfs/dbraw/zinc/11/88/21/823118821.db2.gz AIAMKOREWQFBHC-UHFFFAOYSA-N 0 0 380.835 4.208 20 30 GIEDRN CCCc1c(NCC(=O)N(CCC#N)c2ccccc2)cnn1-c1ccccc1 ZINC000571030730 823122606 /nfs/dbraw/zinc/12/26/06/823122606.db2.gz OYTRISDMGQUGCZ-UHFFFAOYSA-N 0 0 387.487 4.184 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000056300728 823123524 /nfs/dbraw/zinc/12/35/24/823123524.db2.gz PLUAUYDSFPQETL-GOSISDBHSA-N 0 0 378.472 4.215 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000056300696 823123535 /nfs/dbraw/zinc/12/35/35/823123535.db2.gz SIYOLCYIZFSBFC-UHFFFAOYSA-N 0 0 399.834 4.315 20 30 GIEDRN N#CCCC1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000571042512 823124161 /nfs/dbraw/zinc/12/41/61/823124161.db2.gz GXKLJFBPZPKWLJ-UHFFFAOYSA-N 0 0 378.301 4.164 20 30 GIEDRN COCC[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000459081560 823125476 /nfs/dbraw/zinc/12/54/76/823125476.db2.gz YHRMCJSZMNFNPV-MRXNPFEDSA-N 0 0 383.414 4.118 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000459085645 823125919 /nfs/dbraw/zinc/12/59/19/823125919.db2.gz VBLZKKRJKGOODJ-MEMLXQNLSA-N 0 0 375.472 4.211 20 30 GIEDRN COCCOc1ccc(Cl)cc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000176118641 823126397 /nfs/dbraw/zinc/12/63/97/823126397.db2.gz SOJFOBDJKCEVNQ-UHFFFAOYSA-N 0 0 388.851 4.300 20 30 GIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[C@@H]1CCOC1 ZINC000459088738 823126587 /nfs/dbraw/zinc/12/65/87/823126587.db2.gz YDUPFOHWXYDVGL-CQSZACIVSA-N 0 0 399.304 4.103 20 30 GIEDRN N#C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)c1ccccc1 ZINC000571061512 823126656 /nfs/dbraw/zinc/12/66/56/823126656.db2.gz WWAXDHVHAFACKO-SFHVURJKSA-N 0 0 379.489 4.267 20 30 GIEDRN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000187758127 823126780 /nfs/dbraw/zinc/12/67/80/823126780.db2.gz QLWPQMBRPZUXON-QFIPXVFZSA-N 0 0 382.460 4.115 20 30 GIEDRN COc1ccc([C@@H](C)NC(=O)CCCCOc2cccc(C#N)c2)c(C)c1OC ZINC000571066254 823127163 /nfs/dbraw/zinc/12/71/63/823127163.db2.gz LDEJNEHWMGSEON-QGZVFWFLSA-N 0 0 396.487 4.310 20 30 GIEDRN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(OC(F)F)cn3)c2)c1 ZINC000571071759 823128175 /nfs/dbraw/zinc/12/81/75/823128175.db2.gz JKBKIPHYRHDKLJ-UHFFFAOYSA-N 0 0 395.365 4.386 20 30 GIEDRN C=CCC1(CNC(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)CCCC1 ZINC000459110816 823129003 /nfs/dbraw/zinc/12/90/03/823129003.db2.gz SCXGSXBCGPHLBR-INIZCTEOSA-N 0 0 375.479 4.039 20 30 GIEDRN Cn1nc(-c2cccs2)nc1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000571090549 823130846 /nfs/dbraw/zinc/13/08/46/823130846.db2.gz FJCIXGFGLMJMQS-UHFFFAOYSA-N 0 0 385.452 4.335 20 30 GIEDRN N#Cc1ccc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1F ZINC000459131963 823132618 /nfs/dbraw/zinc/13/26/18/823132618.db2.gz WVEJOVHOTDCXDQ-IBGZPJMESA-N 0 0 377.423 4.010 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H](CCO)c2ccco2)cc1Cl ZINC000187786788 823132808 /nfs/dbraw/zinc/13/28/08/823132808.db2.gz ZPQRKKFOFYGFCG-KRWDZBQOSA-N 0 0 396.830 4.450 20 30 GIEDRN COc1cc(F)cc(C[C@@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000459132651 823132901 /nfs/dbraw/zinc/13/29/01/823132901.db2.gz HVFKCAXNDVBQJE-OAHLLOKOSA-N 0 0 381.451 4.011 20 30 GIEDRN N#CCCN(C(=O)CCC(=O)N1CCCc2cccc(Cl)c21)c1ccccc1 ZINC000176139508 823133470 /nfs/dbraw/zinc/13/34/70/823133470.db2.gz PEROLTKPNQJQPH-UHFFFAOYSA-N 0 0 395.890 4.346 20 30 GIEDRN CCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CCc2ccccc2C1 ZINC000056351740 823134767 /nfs/dbraw/zinc/13/47/67/823134767.db2.gz WZMMWWAKPLZMOH-JOCHJYFZSA-N 0 0 392.547 4.142 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1 ZINC000459147865 823134923 /nfs/dbraw/zinc/13/49/23/823134923.db2.gz UETJVYMPGKRXHP-INIZCTEOSA-N 0 0 381.451 4.035 20 30 GIEDRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COCc3cccnc3)sc2C1 ZINC000571118630 823135136 /nfs/dbraw/zinc/13/51/36/823135136.db2.gz DCNIHBXCROVBPM-OAHLLOKOSA-N 0 0 383.517 4.321 20 30 GIEDRN N#CCOc1cccc(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000121192944 823136062 /nfs/dbraw/zinc/13/60/62/823136062.db2.gz UKLARBGSXZHOKK-UHFFFAOYSA-N 0 0 375.255 4.023 20 30 GIEDRN Cc1ccnc(OC2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)c1 ZINC000571132464 823138416 /nfs/dbraw/zinc/13/84/16/823138416.db2.gz IXJIAFSSUFZXEC-UHFFFAOYSA-N 0 0 376.435 4.305 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000187816651 823139356 /nfs/dbraw/zinc/13/93/56/823139356.db2.gz PJNCGWHJIAVHDU-FQEVSTJZSA-N 0 0 379.504 4.482 20 30 GIEDRN N#CC1(CC[S@](=O)Cc2ccc(Cl)cc2-n2cncn2)CCCCC1 ZINC000571148341 823140895 /nfs/dbraw/zinc/14/08/95/823140895.db2.gz IHCZBMYHCBITLL-VWLOTQADSA-N 0 0 376.913 4.034 20 30 GIEDRN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC(OC2CCCC2)CC1 ZINC000176166319 823141143 /nfs/dbraw/zinc/14/11/43/823141143.db2.gz WTPZFCUOOFZDJK-UHFFFAOYSA-N 0 0 394.437 4.190 20 30 GIEDRN C=CC[C@H]1N(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CCCC1(C)C ZINC000571150880 823141207 /nfs/dbraw/zinc/14/12/07/823141207.db2.gz RVUHLMZXKHDNDA-RTBURBONSA-N 0 0 382.508 4.438 20 30 GIEDRN CN(C(=O)CNc1cccc(C#Cc2cccs2)c1)C1(C#N)CCCCC1 ZINC000056395439 823142521 /nfs/dbraw/zinc/14/25/21/823142521.db2.gz GAXXPXLEOGIBAJ-UHFFFAOYSA-N 0 0 377.513 4.245 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1ccc(F)cc1F ZINC000571192331 823146434 /nfs/dbraw/zinc/14/64/34/823146434.db2.gz UJBOJFGLJNTIQF-UHFFFAOYSA-N 0 0 376.451 4.073 20 30 GIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H]3CCCSC3)c2)c1 ZINC000571191809 823146539 /nfs/dbraw/zinc/14/65/39/823146539.db2.gz FBISLFGEOXTJJK-MRXNPFEDSA-N 0 0 394.500 4.075 20 30 GIEDRN COC(=O)[C@@H](Sc1nc(C)nc(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000187854667 823146969 /nfs/dbraw/zinc/14/69/69/823146969.db2.gz HXVLJDGLJVQOHQ-AWEZNQCLSA-N 0 0 382.272 4.278 20 30 GIEDRN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000121248522 823147210 /nfs/dbraw/zinc/14/72/10/823147210.db2.gz MHRVXYJKHCNNHO-QGZVFWFLSA-N 0 0 388.254 4.167 20 30 GIEDRN CC1=C(C(=O)Nc2ccccc2C(C)C)[C@H](c2cc(C#N)cs2)NC(=S)N1 ZINC000176185812 823147918 /nfs/dbraw/zinc/14/79/18/823147918.db2.gz ONAPWLURDGKCLE-SFHVURJKSA-N 0 0 396.541 4.175 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000187870160 823149878 /nfs/dbraw/zinc/14/98/78/823149878.db2.gz ZCRCWDIDSUPKAE-AWEZNQCLSA-N 0 0 398.507 4.035 20 30 GIEDRN C[C@H](NC(=O)NCc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000056443759 823150248 /nfs/dbraw/zinc/15/02/48/823150248.db2.gz QAILPNDQZBFBTH-KRWDZBQOSA-N 0 0 386.455 4.093 20 30 GIEDRN CC1(C#N)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000571229227 823152178 /nfs/dbraw/zinc/15/21/78/823152178.db2.gz YFCWHTLXHLQMIL-UHFFFAOYSA-N 0 0 388.500 4.057 20 30 GIEDRN C[C@H](Cn1ncc2ccccc21)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000571253336 823156245 /nfs/dbraw/zinc/15/62/45/823156245.db2.gz VMSRKFSARGWGJK-MRXNPFEDSA-N 0 0 397.438 4.370 20 30 GIEDRN C=CCOc1ccccc1C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC000056451383 823152599 /nfs/dbraw/zinc/15/25/99/823152599.db2.gz OMBMRSGIXDKRJA-UHFFFAOYSA-N 0 0 395.499 4.047 20 30 GIEDRN CSC[C@H](O)CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000187891824 823153306 /nfs/dbraw/zinc/15/33/06/823153306.db2.gz UBQIZSIYIYTNKY-JTQLQIEISA-N 0 0 388.436 4.357 20 30 GIEDRN CCCc1c(NC(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)cnn1-c1cccc(C#N)c1 ZINC000571255134 823156576 /nfs/dbraw/zinc/15/65/76/823156576.db2.gz FJBZVBFTVOHBIT-QMHKHESXSA-N 0 0 390.487 4.030 20 30 GIEDRN COC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)n1 ZINC000056470345 823156684 /nfs/dbraw/zinc/15/66/84/823156684.db2.gz NEKGWYLTZCCSDG-UHFFFAOYSA-N 0 0 387.395 4.093 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(C(N)=O)cs1 ZINC000056470516 823156990 /nfs/dbraw/zinc/15/69/90/823156990.db2.gz HTUBYPKCQBMHIA-UHFFFAOYSA-N 0 0 377.425 4.072 20 30 GIEDRN N#Cc1ccc(SCC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000176225188 823157065 /nfs/dbraw/zinc/15/70/65/823157065.db2.gz KCSWINSOCCMZIJ-UHFFFAOYSA-N 0 0 376.441 4.216 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000056476036 823157238 /nfs/dbraw/zinc/15/72/38/823157238.db2.gz HSWSGWMENJDZKW-UHFFFAOYSA-N 0 0 398.513 4.309 20 30 GIEDRN Cc1csc(C(C#N)C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000121296111 823157250 /nfs/dbraw/zinc/15/72/50/823157250.db2.gz QRMSJWJBLMYXEF-NUEKZKHPSA-N 0 0 391.537 4.301 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000056478603 823157810 /nfs/dbraw/zinc/15/78/10/823157810.db2.gz HUOVQVUMUACHAV-UHFFFAOYSA-N 0 0 382.445 4.030 20 30 GIEDRN C=CCOc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1OC ZINC000176229145 823158165 /nfs/dbraw/zinc/15/81/65/823158165.db2.gz FMPFMGOFEJOYNA-SJORKVTESA-N 0 0 387.501 4.050 20 30 GIEDRN CCCN(CC#N)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000056485364 823158369 /nfs/dbraw/zinc/15/83/69/823158369.db2.gz YTHSHUIEDWBDRQ-UHFFFAOYSA-N 0 0 379.291 4.101 20 30 GIEDRN COc1ccc2[nH]cc(C3CCN(Cc4c(C#N)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000459304187 823158921 /nfs/dbraw/zinc/15/89/21/823158921.db2.gz NKPSWXKONLIQDJ-UHFFFAOYSA-N 0 0 390.443 4.336 20 30 GIEDRN CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(OCc2ccccc2)cc1 ZINC000187926227 823159305 /nfs/dbraw/zinc/15/93/05/823159305.db2.gz NCENCIMWPJDKDL-UHFFFAOYSA-N 0 0 386.451 4.373 20 30 GIEDRN CCN(CCOc1ccc(Br)cc1)C(=O)C1(C#N)CCCCC1 ZINC000461200154 823597371 /nfs/dbraw/zinc/59/73/71/823597371.db2.gz VZZFYTOILOOTNY-UHFFFAOYSA-N 0 0 379.298 4.150 20 30 GIEDRN COCCn1cc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1 ZINC000056519151 823160814 /nfs/dbraw/zinc/16/08/14/823160814.db2.gz HIKNLVFGHNUDJH-UHFFFAOYSA-N 0 0 391.431 4.146 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)c3ccc4nccnc4c3)c2)c1 ZINC000121317005 823162203 /nfs/dbraw/zinc/16/22/03/823162203.db2.gz XBHDOPIQCLFEAX-UHFFFAOYSA-N 0 0 380.407 4.333 20 30 GIEDRN CCOC[C@H]1CCCCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000459330003 823162319 /nfs/dbraw/zinc/16/23/19/823162319.db2.gz SIMGMGIJYBGNON-QGZVFWFLSA-N 0 0 384.505 4.028 20 30 GIEDRN CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340829 823165157 /nfs/dbraw/zinc/16/51/57/823165157.db2.gz JDYYJFFCMCLAQZ-FQEVSTJZSA-N 0 0 375.432 4.173 20 30 GIEDRN C[C@@]1(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC=CCC1 ZINC000459345283 823166716 /nfs/dbraw/zinc/16/67/16/823166716.db2.gz OGTGZZAUMHIHIB-GOSISDBHSA-N 0 0 385.518 4.322 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000188005288 823170647 /nfs/dbraw/zinc/17/06/47/823170647.db2.gz RHFQFLKNYYOVNS-OAHLLOKOSA-N 0 0 380.492 4.283 20 30 GIEDRN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364801 823173149 /nfs/dbraw/zinc/17/31/49/823173149.db2.gz ANMOSGGTBTVGME-AWEZNQCLSA-N 0 0 380.379 4.126 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCC)ccc2C1 ZINC000571376370 823174291 /nfs/dbraw/zinc/17/42/91/823174291.db2.gz HMFDTZNPHAQQML-HXUWFJFHSA-N 0 0 382.508 4.057 20 30 GIEDRN C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2sccc2OC)c1 ZINC000121385341 823174964 /nfs/dbraw/zinc/17/49/64/823174964.db2.gz AZYCCTZBYWUVMN-UHFFFAOYSA-N 0 0 389.523 4.195 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000056588304 823175262 /nfs/dbraw/zinc/17/52/62/823175262.db2.gz CZCRVOSJLPKGJT-UHFFFAOYSA-N 0 0 395.503 4.444 20 30 GIEDRN N#CCOc1ccc(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)cc1 ZINC000176295621 823175330 /nfs/dbraw/zinc/17/53/30/823175330.db2.gz RTGFOFACEUDAIR-UHFFFAOYSA-N 0 0 377.366 4.406 20 30 GIEDRN COc1ccc(CCC(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)cc1 ZINC000188050790 823177879 /nfs/dbraw/zinc/17/78/79/823177879.db2.gz QCIPTERWXSQJTN-UHFFFAOYSA-N 0 0 392.484 4.046 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000056600388 823178204 /nfs/dbraw/zinc/17/82/04/823178204.db2.gz IEPBQGPEILGRHR-UHFFFAOYSA-N 0 0 376.460 4.160 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000056601460 823178318 /nfs/dbraw/zinc/17/83/18/823178318.db2.gz DHWQKTKASGSBAQ-UHFFFAOYSA-N 0 0 393.487 4.432 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000188060089 823179827 /nfs/dbraw/zinc/17/98/27/823179827.db2.gz CWHLSWUZYORXNR-UXHICEINSA-N 0 0 396.512 4.181 20 30 GIEDRN C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000188062467 823180016 /nfs/dbraw/zinc/18/00/16/823180016.db2.gz SJWIGMIYEWSGMK-SFHVURJKSA-N 0 0 380.444 4.085 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(C)cc1O ZINC000188064552 823180742 /nfs/dbraw/zinc/18/07/42/823180742.db2.gz DOCBIWPFSMQZTP-UHFFFAOYSA-N 0 0 380.488 4.311 20 30 GIEDRN CC(C)(CO)[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000459397092 823182831 /nfs/dbraw/zinc/18/28/31/823182831.db2.gz JHWJDGQTKOIEJW-FQEVSTJZSA-N 0 0 379.460 4.269 20 30 GIEDRN C=CCOc1ccc(CN(C(=O)c2cc(C)nc3c2cnn3C)C(C)(C)C)cc1 ZINC000188085085 823184194 /nfs/dbraw/zinc/18/41/94/823184194.db2.gz FTTOHLVDULQHEV-UHFFFAOYSA-N 0 0 392.503 4.282 20 30 GIEDRN C=CCn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1cccs1 ZINC000188088171 823184568 /nfs/dbraw/zinc/18/45/68/823184568.db2.gz FYQJJNRVIYBUEI-INIZCTEOSA-N 0 0 382.514 4.238 20 30 GIEDRN COc1cccc2c1C[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000459404255 823185603 /nfs/dbraw/zinc/18/56/03/823185603.db2.gz RTRIXYZSWDEZDH-GDBMZVCRSA-N 0 0 381.501 4.378 20 30 GIEDRN COc1cc(CNc2ncnc3c2c(C)c(C)n3Cc2ccco2)ccc1C#N ZINC000571459170 823186138 /nfs/dbraw/zinc/18/61/38/823186138.db2.gz PEAPEOSENNNCPM-UHFFFAOYSA-N 0 0 387.443 4.182 20 30 GIEDRN N#Cc1ccc2c(c1)N(C(=O)CSCc1cc(-c3cccs3)on1)CC2 ZINC000571466921 823187136 /nfs/dbraw/zinc/18/71/36/823187136.db2.gz MJUOTRCDBMICLD-UHFFFAOYSA-N 0 0 381.482 4.097 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000056638972 823187174 /nfs/dbraw/zinc/18/71/74/823187174.db2.gz KSQXWYMHFLKVAO-QGZVFWFLSA-N 0 0 391.393 4.418 20 30 GIEDRN CC(C)N(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CCOCC1 ZINC000121452387 823187273 /nfs/dbraw/zinc/18/72/73/823187273.db2.gz QAUAUFFYVDEBSE-UHFFFAOYSA-N 0 0 378.472 4.167 20 30 GIEDRN CC[C@@H](CC#N)OC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000188107364 823187606 /nfs/dbraw/zinc/18/76/06/823187606.db2.gz KOEPIXXZDZHFES-SFHVURJKSA-N 0 0 376.412 4.463 20 30 GIEDRN N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)s2)cc1 ZINC000121472604 823190960 /nfs/dbraw/zinc/19/09/60/823190960.db2.gz RPZVZRVPFJNEKS-OALUTQOASA-N 0 0 377.444 4.487 20 30 GIEDRN C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000188128926 823191004 /nfs/dbraw/zinc/19/10/04/823191004.db2.gz UXKHUXKOAFDWHD-HXUWFJFHSA-N 0 0 388.471 4.437 20 30 GIEDRN CCCC(C#N)(CCC)NC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000121477404 823191673 /nfs/dbraw/zinc/19/16/73/823191673.db2.gz NCXKWGGOTRNVSO-UHFFFAOYSA-N 0 0 398.528 4.253 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000459444605 823193277 /nfs/dbraw/zinc/19/32/77/823193277.db2.gz CJKICLFTMOZFTO-UHFFFAOYSA-N 0 0 379.302 4.111 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)c2cn(CCc3ccccc3)nn2)c1C#N ZINC000571525193 823195891 /nfs/dbraw/zinc/19/58/91/823195891.db2.gz RUQOFVBNLAHRBE-UHFFFAOYSA-N 0 0 379.489 4.004 20 30 GIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000571530309 823196365 /nfs/dbraw/zinc/19/63/65/823196365.db2.gz GERGHUNYPQNRKP-MUUNZHRXSA-N 0 0 398.532 4.105 20 30 GIEDRN CC(C)c1ccc2occ(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2c1 ZINC000571548541 823199189 /nfs/dbraw/zinc/19/91/89/823199189.db2.gz WVXZMVJPEKSGMY-KRWDZBQOSA-N 0 0 375.428 4.116 20 30 GIEDRN Cc1ccc2nc(-c3ccc(NC(=O)CN[C@H]4CCC[C@@H]4C#N)cc3)sc2c1 ZINC000459471137 823199261 /nfs/dbraw/zinc/19/92/61/823199261.db2.gz VGCZLQBSTYWHNL-AEFFLSMTSA-N 0 0 390.512 4.492 20 30 GIEDRN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1S[C@H]1CCOC1 ZINC000188192985 823201366 /nfs/dbraw/zinc/20/13/66/823201366.db2.gz ISUVTBLHQRBWGU-NSHDSACASA-N 0 0 376.528 4.254 20 30 GIEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000121533549 823201317 /nfs/dbraw/zinc/20/13/17/823201317.db2.gz XRYRLOJHJRCRPU-ZDUSSCGKSA-N 0 0 391.652 4.372 20 30 GIEDRN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)s2)n1C ZINC000571603614 823206561 /nfs/dbraw/zinc/20/65/61/823206561.db2.gz VEYBDAAITSRCQM-UHFFFAOYSA-N 0 0 382.331 4.072 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000459497474 823204521 /nfs/dbraw/zinc/20/45/21/823204521.db2.gz SLDCNYZVFKXYHB-GFCCVEGCSA-N 0 0 397.319 4.428 20 30 GIEDRN Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(Sc2ccccc2)n1 ZINC000571593735 823204816 /nfs/dbraw/zinc/20/48/16/823204816.db2.gz KLINLHCJVZMQHN-UHFFFAOYSA-N 0 0 375.457 4.266 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCOc2ccccc2C)cc1 ZINC000056744111 823205189 /nfs/dbraw/zinc/20/51/89/823205189.db2.gz FYFCTLIZCAMHCM-UHFFFAOYSA-N 0 0 393.487 4.010 20 30 GIEDRN O=C(O[C@@H](Cc1ccc(F)cc1)C(F)(F)F)c1cnn(CCC(F)(F)F)c1 ZINC000188221624 823205601 /nfs/dbraw/zinc/20/56/01/823205601.db2.gz HZBXODSAMHZFGC-ZDUSSCGKSA-N 0 0 398.278 4.305 20 30 GIEDRN CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc(Cl)ccc1C#N ZINC000176427297 823205712 /nfs/dbraw/zinc/20/57/12/823205712.db2.gz LKZSQMGFXZGZBD-UHFFFAOYSA-N 0 0 394.612 4.159 20 30 GIEDRN Cc1cc(C)n(Cc2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)n1 ZINC000176427528 823205839 /nfs/dbraw/zinc/20/58/39/823205839.db2.gz JTHKMHAPVBRVRY-UHFFFAOYSA-N 0 0 378.863 4.350 20 30 GIEDRN C[C@@H]1CN(c2ccc(CNc3cc(C#N)ccc3C(F)(F)F)cn2)C[C@@H](C)O1 ZINC000121565668 823206952 /nfs/dbraw/zinc/20/69/52/823206952.db2.gz QAFIETOYQGXKAP-ZIAGYGMSSA-N 0 0 390.409 4.198 20 30 GIEDRN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000188237830 823207956 /nfs/dbraw/zinc/20/79/56/823207956.db2.gz OXCRZBNUERIVBG-HXOBKFHXSA-N 0 0 380.488 4.345 20 30 GIEDRN N#Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 ZINC000176444127 823208925 /nfs/dbraw/zinc/20/89/25/823208925.db2.gz JFDJURIFQUPDKW-HXUWFJFHSA-N 0 0 389.436 4.115 20 30 GIEDRN C=CCSc1ccccc1NC(=O)CNc1cccc2c1OCC[C@@H]2OC ZINC000571611077 823208914 /nfs/dbraw/zinc/20/89/14/823208914.db2.gz GSXAOCDIIMHQMP-SFHVURJKSA-N 0 0 384.501 4.485 20 30 GIEDRN CCOCCCn1c(S[C@@H](C)CCC#N)nc2cc(Cl)ccc2c1=O ZINC000188257861 823210215 /nfs/dbraw/zinc/21/02/15/823210215.db2.gz AQJCTFNBNXXKCM-ZDUSSCGKSA-N 0 0 379.913 4.261 20 30 GIEDRN COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000121580403 823210268 /nfs/dbraw/zinc/21/02/68/823210268.db2.gz DMIIOGOBIDXAFE-CYBMUJFWSA-N 0 0 381.190 4.102 20 30 GIEDRN CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000121596369 823213287 /nfs/dbraw/zinc/21/32/87/823213287.db2.gz INJJLJAUIKWJCO-HNAYVOBHSA-N 0 0 378.476 4.473 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC2(CC1)OCCO2 ZINC000056800323 823215846 /nfs/dbraw/zinc/21/58/46/823215846.db2.gz YUASUPVHQKTFOV-UHFFFAOYSA-N 0 0 393.443 4.030 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000056800458 823215944 /nfs/dbraw/zinc/21/59/44/823215944.db2.gz JVICCBBIADHYGH-NHCUHLMSSA-N 0 0 377.444 4.444 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000056802297 823215993 /nfs/dbraw/zinc/21/59/93/823215993.db2.gz UVALZMCYMBIHFN-UHFFFAOYSA-N 0 0 378.407 4.168 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000056802506 823216051 /nfs/dbraw/zinc/21/60/51/823216051.db2.gz NBKVZFHZOXMQNK-UHFFFAOYSA-N 0 0 391.471 4.392 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000571668052 823216754 /nfs/dbraw/zinc/21/67/54/823216754.db2.gz QPDMRUVOPQJEDJ-UHFFFAOYSA-N 0 0 398.684 4.406 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000056815104 823218323 /nfs/dbraw/zinc/21/83/23/823218323.db2.gz LXTAYXTVOLFYNF-FQEVSTJZSA-N 0 0 378.451 4.046 20 30 GIEDRN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1csc(-c2ccco2)n1 ZINC000121618007 823216923 /nfs/dbraw/zinc/21/69/23/823216923.db2.gz MGPNPTIVSCSFSW-ROUUACIJSA-N 0 0 392.484 4.384 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000188326038 823219883 /nfs/dbraw/zinc/21/98/83/823219883.db2.gz DAJYSNODFOPCMA-CYBMUJFWSA-N 0 0 392.377 4.027 20 30 GIEDRN Cc1nsc(NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)c1C#N ZINC000459571687 823223079 /nfs/dbraw/zinc/22/30/79/823223079.db2.gz SGTMBGSJGAQVLG-JTQLQIEISA-N 0 0 391.294 4.237 20 30 GIEDRN N#Cc1ccc(OC2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c(F)c1 ZINC000571708678 823222348 /nfs/dbraw/zinc/22/23/48/823222348.db2.gz NQZFLJXEEGLPDL-UHFFFAOYSA-N 0 0 384.476 4.321 20 30 GIEDRN C=C[C@](C)(CCOC)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 ZINC000188318929 823218891 /nfs/dbraw/zinc/21/88/91/823218891.db2.gz JHLNEFRMOXWVRL-HSZRJFAPSA-N 0 0 395.503 4.484 20 30 GIEDRN CCN(Cc1cccc(Br)c1)C(=O)Nc1snc(C)c1C#N ZINC000459552755 823218959 /nfs/dbraw/zinc/21/89/59/823218959.db2.gz BPNHXLQQXKMWIE-UHFFFAOYSA-N 0 0 379.283 4.140 20 30 GIEDRN C=CC[C@]1(C(=O)Nc2cccc(-c3nnco3)c2)CCCN1C(=O)OC(C)(C)C ZINC000188320342 823219053 /nfs/dbraw/zinc/21/90/53/823219053.db2.gz CHVKITZPIJPRLD-OAQYLSRUSA-N 0 0 398.463 4.021 20 30 GIEDRN C=CC[C@H]1N(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)CCCC1(C)C ZINC000459574480 823223507 /nfs/dbraw/zinc/22/35/07/823223507.db2.gz AMYBKLFVJUTNEP-QZTJIDSGSA-N 0 0 398.507 4.120 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Br)s1 ZINC000056877034 823226821 /nfs/dbraw/zinc/22/68/21/823226821.db2.gz WBYMRRQBNANKAW-UHFFFAOYSA-N 0 0 395.322 4.417 20 30 GIEDRN C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C#N)cc1 ZINC000056881829 823227489 /nfs/dbraw/zinc/22/74/89/823227489.db2.gz RGFCWUYOGISFCL-KRWDZBQOSA-N 0 0 387.487 4.284 20 30 GIEDRN COc1ccc(N(C)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c(OC)c1 ZINC000459602321 823227817 /nfs/dbraw/zinc/22/78/17/823227817.db2.gz FIUMNWFGUMXEST-UHFFFAOYSA-N 0 0 383.448 4.421 20 30 GIEDRN N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000121691177 823231101 /nfs/dbraw/zinc/23/11/01/823231101.db2.gz DFWKCJGVKRASAP-JUVOFCAFSA-N 0 0 395.425 4.128 20 30 GIEDRN N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3Cl)n2)c1 ZINC000409510063 823237356 /nfs/dbraw/zinc/23/73/56/823237356.db2.gz YSXOOKFMINJHDW-GOSISDBHSA-N 0 0 390.874 4.245 20 30 GIEDRN C[C@H](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1cccc(F)c1 ZINC000121722584 823237424 /nfs/dbraw/zinc/23/74/24/823237424.db2.gz MRWJTUUEPKPDPJ-APMMTJHUSA-N 0 0 381.451 4.092 20 30 GIEDRN C=CCc1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)c(OC)c1 ZINC000571787259 823234429 /nfs/dbraw/zinc/23/44/29/823234429.db2.gz LIVSSTLWWQZDJI-MRXNPFEDSA-N 0 0 399.487 4.006 20 30 GIEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C2(Cc3ccccc3F)CC2)ccc1OC ZINC000188402534 823234616 /nfs/dbraw/zinc/23/46/16/823234616.db2.gz ILKOAPCQMDHJRV-SFHVURJKSA-N 0 0 396.462 4.154 20 30 GIEDRN Cc1cccc([C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)c1 ZINC000409497185 823234783 /nfs/dbraw/zinc/23/47/83/823234783.db2.gz ZTQIAVFUHNJPGW-OAHLLOKOSA-N 0 0 394.418 4.064 20 30 GIEDRN C=CCN(Cc1cc(Br)ccc1F)C(=O)CC(C)(C)CC(C)=O ZINC000409499638 823235344 /nfs/dbraw/zinc/23/53/44/823235344.db2.gz LWIAGWLAVYCYNJ-UHFFFAOYSA-N 0 0 384.289 4.498 20 30 GIEDRN C=CCOc1cccc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000409499299 823235392 /nfs/dbraw/zinc/23/53/92/823235392.db2.gz HGJGFYBLEHMLCY-UHFFFAOYSA-N 0 0 386.498 4.484 20 30 GIEDRN 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Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2cccs2)c1C#N ZINC000012811149 818183468 /nfs/dbraw/zinc/18/34/68/818183468.db2.gz DTCZDIUERNXOQY-UHFFFAOYSA-N 0 0 378.501 4.098 20 30 GIEDRN N#Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1Cl ZINC000012832396 818185241 /nfs/dbraw/zinc/18/52/41/818185241.db2.gz WOBHADQVOHDGLT-UHFFFAOYSA-N 0 0 380.810 4.277 20 30 GIEDRN C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nnc1-c1ccoc1C ZINC000057646810 823318455 /nfs/dbraw/zinc/31/84/55/823318455.db2.gz NUVHHWYODWODEH-UHFFFAOYSA-N 0 0 388.537 4.162 20 30 GIEDRN CC[C@@H](C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000012906064 818192471 /nfs/dbraw/zinc/19/24/71/818192471.db2.gz ALWJUQZXXMDSRR-HZPDHXFCSA-N 0 0 380.444 4.021 20 30 GIEDRN N#Cc1csc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1 ZINC000176893462 823318994 /nfs/dbraw/zinc/31/89/94/823318994.db2.gz KOTZXUUGMKBMPM-UHFFFAOYSA-N 0 0 377.256 4.424 20 30 GIEDRN COc1cc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)cc(OC)c1O ZINC000013022546 818201185 /nfs/dbraw/zinc/20/11/85/818201185.db2.gz PTGBTPHLSXVDBW-XCVCLJGOSA-N 0 0 381.211 4.375 20 30 GIEDRN CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000176895945 823319481 /nfs/dbraw/zinc/31/94/81/823319481.db2.gz HXKZHQUDORIDRG-GOSISDBHSA-N 0 0 384.524 4.495 20 30 GIEDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C#N)cs1 ZINC000176896143 823319519 /nfs/dbraw/zinc/31/95/19/823319519.db2.gz WZLGKPMPZZVHCQ-UHFFFAOYSA-N 0 0 382.272 4.027 20 30 GIEDRN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000122195180 823319945 /nfs/dbraw/zinc/31/99/45/823319945.db2.gz WJALNFBGZZXKFV-KRWDZBQOSA-N 0 0 378.407 4.211 20 30 GIEDRN N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)c2)c1 ZINC000176898297 823319925 /nfs/dbraw/zinc/31/99/25/823319925.db2.gz BAVYIABAKDQCEF-RTBURBONSA-N 0 0 388.471 4.464 20 30 GIEDRN Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C#Cc3ccccc3)cc2)c(C)c1 ZINC000014059809 818218830 /nfs/dbraw/zinc/21/88/30/818218830.db2.gz LHONLIJWSHYHGK-UHFFFAOYSA-N 0 0 396.490 4.380 20 30 GIEDRN 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GIEDRN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457590055 822895441 /nfs/dbraw/zinc/89/54/41/822895441.db2.gz YLMXTSPYFXEABN-UHFFFAOYSA-N 0 0 395.850 4.018 20 30 GIEDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000457592934 822895662 /nfs/dbraw/zinc/89/56/62/822895662.db2.gz MSCYRTKRNLZSFX-IUODEOHRSA-N 0 0 392.343 4.429 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000186445280 822896870 /nfs/dbraw/zinc/89/68/70/822896870.db2.gz KQCGHRUICJEDRS-GOSISDBHSA-N 0 0 379.464 4.308 20 30 GIEDRN COc1ccc2cc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c(C)nc2c1 ZINC000457629022 822898643 /nfs/dbraw/zinc/89/86/43/822898643.db2.gz YLICTKYXHRRSFM-GGAORHGYSA-N 0 0 385.467 4.464 20 30 GIEDRN C[C@H](C1CC1)n1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cn1 ZINC000186457388 822898728 /nfs/dbraw/zinc/89/87/28/822898728.db2.gz NEFRNHZSAHSOKP-CQSZACIVSA-N 0 0 376.416 4.150 20 30 GIEDRN C[C@@H](NC(=O)N(C)CC(C)(C)C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000457630760 822898936 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COCCN(C(=O)[C@@H](C)c1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000175237602 822911243 /nfs/dbraw/zinc/91/12/43/822911243.db2.gz APEBSIWGIBXNKD-LBPRGKRZSA-N 0 0 393.306 4.165 20 30 GIEDRN N#Cc1cccc(CCNC(=O)CCSc2ccc(Br)cc2)c1 ZINC000569362823 822911432 /nfs/dbraw/zinc/91/14/32/822911432.db2.gz XUMSHPYNMZPZGP-UHFFFAOYSA-N 0 0 389.318 4.162 20 30 GIEDRN Cc1cc(C(=O)N2CCC(c3ccccc3Br)CC2)ncc1C#N ZINC000457731854 822912097 /nfs/dbraw/zinc/91/20/97/822912097.db2.gz KQYGSMKMGBBDNW-UHFFFAOYSA-N 0 0 384.277 4.044 20 30 GIEDRN C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(Br)cc2C#N)c1 ZINC000569388033 822914608 /nfs/dbraw/zinc/91/46/08/822914608.db2.gz MJWBBBMFPKWIPE-JOCHJYFZSA-N 0 0 397.725 4.465 20 30 GIEDRN CN(CC(C)(C)C#N)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000457755423 822915333 /nfs/dbraw/zinc/91/53/33/822915333.db2.gz PQVPQNDQPMEGSB-IBGZPJMESA-N 0 0 393.466 4.108 20 30 GIEDRN C=C[C@@H](CC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccccc1 ZINC000186572906 822915460 /nfs/dbraw/zinc/91/54/60/822915460.db2.gz FVDRRYWHOUZNKL-SFHVURJKSA-N 0 0 376.456 4.024 20 30 GIEDRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000457771131 822917128 /nfs/dbraw/zinc/91/71/28/822917128.db2.gz UGNJQMKPHYCQPH-CVDCTZTESA-N 0 0 398.503 4.018 20 30 GIEDRN N#Cc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1C(F)(F)F ZINC000175263971 822918794 /nfs/dbraw/zinc/91/87/94/822918794.db2.gz SWUPYGXNKIVXMK-UHFFFAOYSA-N 0 0 388.374 4.277 20 30 GIEDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000175265529 822919243 /nfs/dbraw/zinc/91/92/43/822919243.db2.gz IFRRJCCCLUWFMP-HXUWFJFHSA-N 0 0 381.476 4.241 20 30 GIEDRN COc1cc(CNC(=O)Nc2cccc(COCc3ccco3)c2)ccc1C#N ZINC000569413412 822919374 /nfs/dbraw/zinc/91/93/74/822919374.db2.gz FACXYRMYIHOSTC-UHFFFAOYSA-N 0 0 391.427 4.198 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)c3ccnc(-n4cccn4)c3)c(C#N)c2[C@@H](C)C1 ZINC000569434698 822922680 /nfs/dbraw/zinc/92/26/80/822922680.db2.gz LRXFHXDPVDCJCF-OLZOCXBDSA-N 0 0 377.473 4.139 20 30 GIEDRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1 ZINC000457826759 822923257 /nfs/dbraw/zinc/92/32/57/822923257.db2.gz ZQCHKIKDIGLZSE-RTWAWAEBSA-N 0 0 390.483 4.330 20 30 GIEDRN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000457834820 822923972 /nfs/dbraw/zinc/92/39/72/822923972.db2.gz SIZZOFIGKVOVEQ-NJAFHUGGSA-N 0 0 378.310 4.136 20 30 GIEDRN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000457834823 822924023 /nfs/dbraw/zinc/92/40/23/822924023.db2.gz SIZZOFIGKVOVEQ-SZMVWBNQSA-N 0 0 378.310 4.136 20 30 GIEDRN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)ncc1C#N ZINC000457847571 822925024 /nfs/dbraw/zinc/92/50/24/822925024.db2.gz DJZBMPCWQVSAHB-SFHVURJKSA-N 0 0 379.851 4.159 20 30 GIEDRN COC[C@@H](C)n1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)n1 ZINC000186624077 822925208 /nfs/dbraw/zinc/92/52/08/822925208.db2.gz YCDFJVBFHKANPU-OAHLLOKOSA-N 0 0 376.416 4.007 20 30 GIEDRN C=CCn1c(Cc2nc(C)cs2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC000569484188 822928202 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C=CCC[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000569526051 822934368 /nfs/dbraw/zinc/93/43/68/822934368.db2.gz ZOWKEGSOUZFZGV-QFIPXVFZSA-N 0 0 377.488 4.424 20 30 GIEDRN Cc1cccc(/N=C2\NN=C(c3cc4c(cc3F)NC(=O)CC4)CS2)c1C ZINC000055048210 822934602 /nfs/dbraw/zinc/93/46/02/822934602.db2.gz QOGFWRLASKGSDD-UHFFFAOYSA-N 0 0 382.464 4.055 20 30 GIEDRN O=C1CCc2cc(C3=NN/C(=N\c4cccc(Cl)c4)SC3)c(F)cc2N1 ZINC000055048194 822934652 /nfs/dbraw/zinc/93/46/52/822934652.db2.gz CLWBKAVVQJJGPU-UHFFFAOYSA-N 0 0 388.855 4.092 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000569542742 822937444 /nfs/dbraw/zinc/93/74/44/822937444.db2.gz BYQIGESEKWMLPT-HNNXBMFYSA-N 0 0 399.564 4.029 20 30 GIEDRN Cc1cc([C@@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605803 822943964 /nfs/dbraw/zinc/94/39/64/822943964.db2.gz UNEAVTYZGJGXFV-SFHVURJKSA-N 0 0 396.292 4.009 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000569611545 822944592 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/nfs/dbraw/zinc/14/97/15/823149715.db2.gz INIMACGKSGHZPA-QGZVFWFLSA-N 0 0 382.464 4.099 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000176204859 823152294 /nfs/dbraw/zinc/15/22/94/823152294.db2.gz SICKWXJOVHDMKY-QGZVFWFLSA-N 0 0 384.526 4.117 20 30 GIEDRN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NCC(C)(C)CC#N ZINC000459258330 823152911 /nfs/dbraw/zinc/15/29/11/823152911.db2.gz LPYZAEBKSZWBJQ-UHFFFAOYSA-N 0 0 378.314 4.062 20 30 GIEDRN N#Cc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1Br ZINC000571240887 823154137 /nfs/dbraw/zinc/15/41/37/823154137.db2.gz OGNGSWBAZSXTHV-UHFFFAOYSA-N 0 0 399.273 4.020 20 30 GIEDRN CCc1c(C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)cnn1CC(C)C ZINC000121283729 823154922 /nfs/dbraw/zinc/15/49/22/823154922.db2.gz OKRVRILVEJEWBY-UHFFFAOYSA-N 0 0 390.491 4.028 20 30 GIEDRN CCOC(=O)C(C)(C)CC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000571258799 823156985 /nfs/dbraw/zinc/15/69/85/823156985.db2.gz FEVMEHMSMYZGSS-UHFFFAOYSA-N 0 0 394.471 4.250 20 30 GIEDRN CCCOc1ccc(C(=O)CCC(=O)Nc2cc(C#N)ccc2OCC)cc1 ZINC000056476080 823157190 /nfs/dbraw/zinc/15/71/90/823157190.db2.gz VNXWQCSUNDJWJP-UHFFFAOYSA-N 0 0 380.444 4.347 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000056476301 823157269 /nfs/dbraw/zinc/15/72/69/823157269.db2.gz JESDHXXTJUGZAS-GFCCVEGCSA-N 0 0 389.249 4.125 20 30 GIEDRN Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)o1 ZINC000187938656 823161168 /nfs/dbraw/zinc/16/11/68/823161168.db2.gz GSHABEFMGJYXDZ-CQSZACIVSA-N 0 0 392.459 4.037 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000056478905 823158075 /nfs/dbraw/zinc/15/80/75/823158075.db2.gz LSQMTMFNPGVTSH-UHFFFAOYSA-N 0 0 394.406 4.026 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC000571276027 823159683 /nfs/dbraw/zinc/15/96/83/823159683.db2.gz BGFDOIXHUCXNIZ-MRXNPFEDSA-N 0 0 392.960 4.114 20 30 GIEDRN N#Cc1cccc(NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c1 ZINC000056517000 823160477 /nfs/dbraw/zinc/16/04/77/823160477.db2.gz HPOSNWKBWMFJSV-UHFFFAOYSA-N 0 0 395.260 4.392 20 30 GIEDRN C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(OCC(C)C)CC1 ZINC000571298570 823161692 /nfs/dbraw/zinc/16/16/92/823161692.db2.gz YUAKNVUXHLCJJC-OAQYLSRUSA-N 0 0 396.535 4.172 20 30 GIEDRN C=C[C@](C)(CC)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000187948754 823162726 /nfs/dbraw/zinc/16/27/26/823162726.db2.gz JSSMBCACALRZAE-LJQANCHMSA-N 0 0 393.325 4.229 20 30 GIEDRN N#Cc1cc(F)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(F)c1 ZINC000176254653 823164070 /nfs/dbraw/zinc/16/40/70/823164070.db2.gz WVNJABOBGDYQIC-UHFFFAOYSA-N 0 0 384.411 4.299 20 30 GIEDRN Cc1cc(Cl)cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000121330923 823164728 /nfs/dbraw/zinc/16/47/28/823164728.db2.gz GRXYXKUBRANNCY-CQSZACIVSA-N 0 0 397.887 4.315 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121335642 823165556 /nfs/dbraw/zinc/16/55/56/823165556.db2.gz NXZAEILJUGVEKT-UHFFFAOYSA-N 0 0 380.192 4.263 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000056545675 823165938 /nfs/dbraw/zinc/16/59/38/823165938.db2.gz WVMFFFUYNOASRT-UHFFFAOYSA-N 0 0 381.451 4.004 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000571340278 823167988 /nfs/dbraw/zinc/16/79/88/823167988.db2.gz RSHHTKZSPDBTIN-JOCHJYFZSA-N 0 0 389.455 4.099 20 30 GIEDRN CC(C)(CO)[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 ZINC000459350247 823168309 /nfs/dbraw/zinc/16/83/09/823168309.db2.gz BSDAAFPAIGCDJZ-HXUWFJFHSA-N 0 0 379.460 4.269 20 30 GIEDRN N#C[C@@H](C(=O)CCc1cc(F)ccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000121350780 823168422 /nfs/dbraw/zinc/16/84/22/823168422.db2.gz IMUCSDVKXKMLBB-ZDUSSCGKSA-N 0 0 380.753 4.037 20 30 GIEDRN Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC000571349039 823168857 /nfs/dbraw/zinc/16/88/57/823168857.db2.gz ZJQIHFODIIVCSF-OAHLLOKOSA-N 0 0 397.544 4.254 20 30 GIEDRN CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc(C3(C#N)CC3)cc2)n1 ZINC000571365703 823171829 /nfs/dbraw/zinc/17/18/29/823171829.db2.gz USBUCFRTPRWOBJ-JOCHJYFZSA-N 0 0 386.455 4.347 20 30 GIEDRN CC[C@](C)(NC(=O)c1ccccc1)c1noc(CSc2ccc(C#N)cc2)n1 ZINC000571364528 823171885 /nfs/dbraw/zinc/17/18/85/823171885.db2.gz IWKKPSXJRRADQG-NRFANRHFSA-N 0 0 392.484 4.289 20 30 GIEDRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)NCCCCC#N)n1 ZINC000176304850 823177096 /nfs/dbraw/zinc/17/70/96/823177096.db2.gz KEPXBNJGJINLMI-UHFFFAOYSA-N 0 0 375.860 4.404 20 30 GIEDRN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)N1CC(F)(F)C(F)(F)C1 ZINC000459364149 823172862 /nfs/dbraw/zinc/17/28/62/823172862.db2.gz WBZWYYWWKWCPCT-UHFFFAOYSA-N 0 0 394.218 4.008 20 30 GIEDRN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364803 823173203 /nfs/dbraw/zinc/17/32/03/823173203.db2.gz ANMOSGGTBTVGME-CQSZACIVSA-N 0 0 380.379 4.126 20 30 GIEDRN C=CCN1C(=O)N(c2ccc(Oc3ccccn3)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000571371546 823173283 /nfs/dbraw/zinc/17/32/83/823173283.db2.gz RGXGPZALEGTWCD-NRFANRHFSA-N 0 0 399.450 4.440 20 30 GIEDRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000571381643 823175201 /nfs/dbraw/zinc/17/52/01/823175201.db2.gz GEESKAGQUDCWPT-ZDUSSCGKSA-N 0 0 376.485 4.259 20 30 GIEDRN CCCc1nc(C)c(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)s1 ZINC000188051505 823177894 /nfs/dbraw/zinc/17/78/94/823177894.db2.gz IIEHQCAXOTXFBF-UHFFFAOYSA-N 0 0 397.529 4.436 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(CC)CCc1nccs1 ZINC000188058372 823179486 /nfs/dbraw/zinc/17/94/86/823179486.db2.gz CZRGLWKZNPTMLL-UHFFFAOYSA-N 0 0 385.533 4.025 20 30 GIEDRN C=CCOc1ccc(CN(C(=O)CCn2c(C)csc2=O)C(C)(C)C)cc1 ZINC000188080887 823183175 /nfs/dbraw/zinc/18/31/75/823183175.db2.gz CXFIOABZTZUQJT-UHFFFAOYSA-N 0 0 388.533 4.000 20 30 GIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000188059884 823179820 /nfs/dbraw/zinc/17/98/20/823179820.db2.gz HAPIQWOSWJXNAX-UHFFFAOYSA-N 0 0 381.476 4.183 20 30 GIEDRN CCC(CC)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000121413155 823180310 /nfs/dbraw/zinc/18/03/10/823180310.db2.gz UCJYKNGCZJSCTL-IBGZPJMESA-N 0 0 383.879 4.444 20 30 GIEDRN COc1cccc2c1C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C2 ZINC000459391092 823181152 /nfs/dbraw/zinc/18/11/52/823181152.db2.gz BSBFDVKINOWSEC-HOCLYGCPSA-N 0 0 381.501 4.236 20 30 GIEDRN CC(C)[C@H](NC(=O)Nc1ccccc1S[C@H](C)CC#N)C1(CO)CCC1 ZINC000459391159 823181154 /nfs/dbraw/zinc/18/11/54/823181154.db2.gz CGHHAHMNGSUMBC-QAPCUYQASA-N 0 0 375.538 4.390 20 30 GIEDRN CC(=O)Nc1cccc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1C ZINC000188068520 823181324 /nfs/dbraw/zinc/18/13/24/823181324.db2.gz JJZAIMAETBNRGP-UHFFFAOYSA-N 0 0 379.504 4.278 20 30 GIEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 ZINC000121426496 823182400 /nfs/dbraw/zinc/18/24/00/823182400.db2.gz RPXJWNOOOGESPM-UHFFFAOYSA-N 0 0 398.831 4.419 20 30 GIEDRN C[C@@H](Oc1ccccc1C#N)c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000571447451 823183941 /nfs/dbraw/zinc/18/39/41/823183941.db2.gz YJOXSCJJHYCBPJ-MRXNPFEDSA-N 0 0 375.428 4.178 20 30 GIEDRN C#CCOc1ccccc1NC(=O)N[C@H](c1ccccn1)c1ccccc1OC ZINC000188089080 823184440 /nfs/dbraw/zinc/18/44/40/823184440.db2.gz TVNRVDQKRDEQMK-QFIPXVFZSA-N 0 0 387.439 4.013 20 30 GIEDRN C=CCn1c(C2CC2)nn(CN(C)C[C@@H](C)Cc2ccc(OC)cc2)c1=S ZINC000121445111 823185690 /nfs/dbraw/zinc/18/56/90/823185690.db2.gz FDUOTVOLDAPTPW-INIZCTEOSA-N 0 0 386.565 4.254 20 30 GIEDRN CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000176336718 823185764 /nfs/dbraw/zinc/18/57/64/823185764.db2.gz FABBFMVBDWRRHO-LJQANCHMSA-N 0 0 395.434 4.123 20 30 GIEDRN CN(CC1(CO)CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000188098395 823185996 /nfs/dbraw/zinc/18/59/96/823185996.db2.gz ZOPHYAQEAVBWDA-UHFFFAOYSA-N 0 0 399.878 4.027 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000176341668 823187218 /nfs/dbraw/zinc/18/72/18/823187218.db2.gz RMXDJUFXCHCAMA-QFIPXVFZSA-N 0 0 394.540 4.042 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@@H]3CCc4ccccc4NC3=O)o2)cc1 ZINC000188106715 823187343 /nfs/dbraw/zinc/18/73/43/823187343.db2.gz GPAMJUUJINNOOG-GOSISDBHSA-N 0 0 393.468 4.347 20 30 GIEDRN COc1ccc(SCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000121460986 823188991 /nfs/dbraw/zinc/18/89/91/823188991.db2.gz XHAMQOKDLGDZKQ-UHFFFAOYSA-N 0 0 395.509 4.345 20 30 GIEDRN CCCN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000459416394 823188075 /nfs/dbraw/zinc/18/80/75/823188075.db2.gz BWXNGVQOUQMSQK-INIZCTEOSA-N 0 0 380.448 4.014 20 30 GIEDRN CCOc1cc(C#N)ccc1OC(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000121456971 823188152 /nfs/dbraw/zinc/18/81/52/823188152.db2.gz NTTPGLGLQOZIKZ-UHFFFAOYSA-N 0 0 390.443 4.189 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000056641919 823188537 /nfs/dbraw/zinc/18/85/37/823188537.db2.gz DXJOVSJOITUSJV-CQSZACIVSA-N 0 0 392.459 4.188 20 30 GIEDRN Cc1ccc(NC(=O)C/N=C/c2cc(Br)ccc2O)c(Cl)c1 ZINC000121472111 823190964 /nfs/dbraw/zinc/19/09/64/823190964.db2.gz DOTNHGBBURLVPF-UFWORHAWSA-N 0 0 381.657 4.174 20 30 GIEDRN C#CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000188128901 823191014 /nfs/dbraw/zinc/19/10/14/823191014.db2.gz UXKHUXKOAFDWHD-FQEVSTJZSA-N 0 0 388.471 4.437 20 30 GIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn2ccnc2s1 ZINC000188163495 823196687 /nfs/dbraw/zinc/19/66/87/823196687.db2.gz JXJBXZLKZUNRKW-UHFFFAOYSA-N 0 0 388.452 4.407 20 30 GIEDRN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000121533686 823201285 /nfs/dbraw/zinc/20/12/85/823201285.db2.gz XRYRLOJHJRCRPU-CYBMUJFWSA-N 0 0 391.652 4.372 20 30 GIEDRN C=CCn1c(SCC(OC)OC)nc2scc(-c3cccs3)c2c1=O ZINC000188192925 823201418 /nfs/dbraw/zinc/20/14/18/823201418.db2.gz URFDBIXVJVBNJK-UHFFFAOYSA-N 0 0 394.543 4.084 20 30 GIEDRN C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H]1c1ccccc1 ZINC000571569867 823201686 /nfs/dbraw/zinc/20/16/86/823201686.db2.gz KYHWJKPKFODCCP-NRFANRHFSA-N 0 0 390.487 4.393 20 30 GIEDRN C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2cccc(F)c2C1 ZINC000571570056 823202087 /nfs/dbraw/zinc/20/20/87/823202087.db2.gz PYAONNAVUFPPIN-UHFFFAOYSA-N 0 0 398.869 4.495 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1 ZINC000056731780 823202208 /nfs/dbraw/zinc/20/22/08/823202208.db2.gz AXNKWHXQRLXDBO-UHFFFAOYSA-N 0 0 386.411 4.111 20 30 GIEDRN CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccn(C2CCCC2)n1 ZINC000121540500 823202285 /nfs/dbraw/zinc/20/22/85/823202285.db2.gz AIFMFMZYXCHDJQ-SFHVURJKSA-N 0 0 378.476 4.084 20 30 GIEDRN Cc1nc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)sc1SCC#N ZINC000188203474 823202715 /nfs/dbraw/zinc/20/27/15/823202715.db2.gz DNQULLYDQDTFKQ-UHFFFAOYSA-N 0 0 395.922 4.425 20 30 GIEDRN C[S@](=O)c1ccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000176412538 823202885 /nfs/dbraw/zinc/20/28/85/823202885.db2.gz ZQEIYPZJLLRHBK-NDEPHWFRSA-N 0 0 390.464 4.018 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571576739 823203087 /nfs/dbraw/zinc/20/30/87/823203087.db2.gz GSOXDQOYIQBUBA-CQSZACIVSA-N 0 0 393.418 4.012 20 30 GIEDRN C=CCC[C@H](C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccccc1 ZINC000188208275 823203389 /nfs/dbraw/zinc/20/33/89/823203389.db2.gz WLUZNJMZNBXWBZ-SFHVURJKSA-N 0 0 391.450 4.367 20 30 GIEDRN C[C@H](Oc1ccc2ccccc2c1)c1nnc(N(CCC#N)CC2CC2)n1C ZINC000571602446 823206618 /nfs/dbraw/zinc/20/66/18/823206618.db2.gz GLTLXDHTLOQCOW-INIZCTEOSA-N 0 0 375.476 4.238 20 30 GIEDRN C[C@H](CCC#N)Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1 ZINC000188221188 823205779 /nfs/dbraw/zinc/20/57/79/823205779.db2.gz OZQJNSLRQLOHOQ-CABCVRRESA-N 0 0 381.505 4.390 20 30 GIEDRN N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(CO)CC3)cc2Cl)cc1 ZINC000056750694 823206893 /nfs/dbraw/zinc/20/68/93/823206893.db2.gz JEFMLQHBGUIYFQ-UHFFFAOYSA-N 0 0 385.851 4.240 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccccc2OCC)cc1 ZINC000056753386 823207202 /nfs/dbraw/zinc/20/72/02/823207202.db2.gz CCNYSMDKSVWYFQ-UHFFFAOYSA-N 0 0 393.487 4.221 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000188244309 823208630 /nfs/dbraw/zinc/20/86/30/823208630.db2.gz QEWJMBUNQUVVNR-TZIWHRDSSA-N 0 0 378.472 4.118 20 30 GIEDRN C[C@@H](CCc1cccc(F)c1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000121572912 823208613 /nfs/dbraw/zinc/20/86/13/823208613.db2.gz SQYPHIYHJUEHOV-ATIQYGATSA-N 0 0 395.478 4.167 20 30 GIEDRN Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000056762557 823208760 /nfs/dbraw/zinc/20/87/60/823208760.db2.gz YJSXCPRATKAQBQ-IBGZPJMESA-N 0 0 379.460 4.088 20 30 GIEDRN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C#N)s2)c(OC)c1 ZINC000176443972 823208910 /nfs/dbraw/zinc/20/89/10/823208910.db2.gz HHFBUHDHUDFFKT-HXUWFJFHSA-N 0 0 391.452 4.408 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](CO)c1ccc(OC)cc1 ZINC000459522406 823210387 /nfs/dbraw/zinc/21/03/87/823210387.db2.gz IBRLKQHBNWFCIH-LJQANCHMSA-N 0 0 382.504 4.445 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000459522538 823210720 /nfs/dbraw/zinc/21/07/20/823210720.db2.gz FCVLAFRCLAGXLI-UHFFFAOYSA-N 0 0 379.329 4.411 20 30 GIEDRN Cc1nc(C)c(-c2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)s1 ZINC000188266218 823211127 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CN(Cc1ccc(Br)s1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000178157001 822336558 /nfs/dbraw/zinc/33/65/58/822336558.db2.gz ZKYKSUCJJNLSSO-UHFFFAOYSA-N 0 0 398.257 4.216 20 30 GIEDRN C=CCn1c(-c2ccco2)nn(CN(C)Cc2cc(F)c(F)c(F)c2)c1=S ZINC000182656426 822340919 /nfs/dbraw/zinc/34/09/19/822340919.db2.gz SBTNWQASJPIVDP-UHFFFAOYSA-N 0 0 394.422 4.367 20 30 GIEDRN C[C@@H]1CCN(C(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000178174073 822341782 /nfs/dbraw/zinc/34/17/82/822341782.db2.gz UNRSHBGBBQYUCY-CVEARBPZSA-N 0 0 393.512 4.160 20 30 GIEDRN CCCOc1ccc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1OCC ZINC000182660493 822342406 /nfs/dbraw/zinc/34/24/06/822342406.db2.gz QKEQXFNQZMJFEI-UHFFFAOYSA-N 0 0 379.460 4.272 20 30 GIEDRN C[C@@H](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000178186793 822345971 /nfs/dbraw/zinc/34/59/71/822345971.db2.gz HOXRYLSUAMJRQV-DLBZAZTESA-N 0 0 377.529 4.002 20 30 GIEDRN Cc1ccc(C#N)c(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000178202733 822351634 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C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(-c2ccccc2)o1 ZINC000182728012 822358448 /nfs/dbraw/zinc/35/84/48/822358448.db2.gz PFNWBVALTIGTGZ-OXJNMPFZSA-N 0 0 386.455 4.059 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)Cc1ccc(Br)s1 ZINC000453414870 822359763 /nfs/dbraw/zinc/35/97/63/822359763.db2.gz PTKWFOJBFYLVHS-AAEUAGOBSA-N 0 0 397.342 4.165 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC000453426084 822361433 /nfs/dbraw/zinc/36/14/33/822361433.db2.gz QAFMEFDWKYBULM-MRXNPFEDSA-N 0 0 380.414 4.361 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Br ZINC000453428232 822361608 /nfs/dbraw/zinc/36/16/08/822361608.db2.gz ZRRMYDAPSNDBMT-MRXNPFEDSA-N 0 0 391.313 4.105 20 30 GIEDRN C=CCn1c(N(C)Cc2ccc(OC(F)(F)F)cc2)nnc1[C@@]1(C)CCCO1 ZINC000453433114 822362226 /nfs/dbraw/zinc/36/22/26/822362226.db2.gz CMYRENLPDXIRBL-GOSISDBHSA-N 0 0 396.413 4.025 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000453438566 822362983 /nfs/dbraw/zinc/36/29/83/822362983.db2.gz KMALFMFTGZKKLP-NSHDSACASA-N 0 0 398.351 4.027 20 30 GIEDRN CCOc1cc(C#N)ccc1OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000045102908 822363089 /nfs/dbraw/zinc/36/30/89/822363089.db2.gz JAQOVQHAMQOUSS-UHFFFAOYSA-N 0 0 397.862 4.244 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000453439077 822363130 /nfs/dbraw/zinc/36/31/30/822363130.db2.gz LAXFOPPYECSHTD-NCYKPQTJSA-N 0 0 378.520 4.478 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000453442306 822363854 /nfs/dbraw/zinc/36/38/54/822363854.db2.gz PDKKOJFKIWQNOE-YLJYHZDGSA-N 0 0 384.524 4.029 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 ZINC000453444572 822364034 /nfs/dbraw/zinc/36/40/34/822364034.db2.gz SOBBDSHWOYBJJP-ZDUSSCGKSA-N 0 0 397.342 4.166 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cc(OCCC)ccc2C1 ZINC000453449239 822364900 /nfs/dbraw/zinc/36/49/00/822364900.db2.gz ZQXLLCVXBUBDOG-FQEVSTJZSA-N 0 0 382.508 4.057 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@H]1COC ZINC000453450839 822365560 /nfs/dbraw/zinc/36/55/60/822365560.db2.gz IHIAPYYJQYQSSX-AEFFLSMTSA-N 0 0 388.487 4.139 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453451490 822365820 /nfs/dbraw/zinc/36/58/20/822365820.db2.gz JZZPFGVMOMIZIU-BJLQDIEVSA-N 0 0 382.508 4.097 20 30 GIEDRN CC(C)[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000045151106 822366166 /nfs/dbraw/zinc/36/61/66/822366166.db2.gz SMLREVGXCJXVGM-QFIPXVFZSA-N 0 0 394.494 4.316 20 30 GIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000182778922 822366265 /nfs/dbraw/zinc/36/62/65/822366265.db2.gz PGKFZBTYCRMIMB-QLJPJBMISA-N 0 0 384.304 4.024 20 30 GIEDRN CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCc1ccccc1 ZINC000453453748 822366467 /nfs/dbraw/zinc/36/64/67/822366467.db2.gz PAZFIEMVEXHSCF-HXUWFJFHSA-N 0 0 381.524 4.138 20 30 GIEDRN C=C(C)Cn1c(CCCC)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000453453702 822366470 /nfs/dbraw/zinc/36/64/70/822366470.db2.gz OWXSRJLHVZWALW-UHFFFAOYSA-N 0 0 380.536 4.265 20 30 GIEDRN C[C@@H](CC(=O)NCc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000178313244 822366479 /nfs/dbraw/zinc/36/64/79/822366479.db2.gz JVYAMNLRDPMHBP-LBPRGKRZSA-N 0 0 375.241 4.270 20 30 GIEDRN COc1ccc(/C=C2\CCc3[nH]c(=O)ccc3C2=O)cc1OCc1ccccc1 ZINC000178330936 822367804 /nfs/dbraw/zinc/36/78/04/822367804.db2.gz XWZLODSKMXIRAD-QGOAFFKASA-N 0 0 387.435 4.175 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000453461201 822368842 /nfs/dbraw/zinc/36/88/42/822368842.db2.gz FZMQINZXDUSLOJ-YLJYHZDGSA-N 0 0 384.524 4.029 20 30 GIEDRN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)nn1-c1ccc(F)cc1 ZINC000182800650 822369692 /nfs/dbraw/zinc/36/96/92/822369692.db2.gz ROUWCRZZYHYUBS-UHFFFAOYSA-N 0 0 376.435 4.242 20 30 GIEDRN C=C(C)Cn1c(N2CC[C@](C)(c3ccc(F)cc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453465238 822370138 /nfs/dbraw/zinc/37/01/38/822370138.db2.gz MDDADLZNNNBUBD-VXKWHMMOSA-N 0 0 384.499 4.187 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(CCc1nccs1)C(C)C ZINC000453466433 822370435 /nfs/dbraw/zinc/37/04/35/822370435.db2.gz VDRBNNBCNFRXQK-HOTGVXAUSA-N 0 0 375.542 4.008 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(OC(F)F)cc1 ZINC000453466320 822370506 /nfs/dbraw/zinc/37/05/06/822370506.db2.gz OTLHRCOKMIXBIV-KRWDZBQOSA-N 0 0 392.450 4.334 20 30 GIEDRN C=C(C)Cn1c(N2CCc3c(F)cc(F)cc3[C@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453466626 822370638 /nfs/dbraw/zinc/37/06/38/822370638.db2.gz OZKBEAUHSKHMJS-SPLOXXLWSA-N 0 0 388.462 4.282 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H]1Cc1ccccc1OC ZINC000453466912 822370718 /nfs/dbraw/zinc/37/07/18/822370718.db2.gz VSJKPHAUVZSNBO-DSKINZAPSA-N 0 0 396.535 4.314 20 30 GIEDRN C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C#N)cc1 ZINC000045218327 822370881 /nfs/dbraw/zinc/37/08/81/822370881.db2.gz WLFKCJQTOVDVTC-LBPRGKRZSA-N 0 0 397.887 4.034 20 30 GIEDRN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1cccc(C#N)c1 ZINC000045217033 822370964 /nfs/dbraw/zinc/37/09/64/822370964.db2.gz GKQLXJWHZGACGZ-LLVKDONJSA-N 0 0 393.668 4.058 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000453470375 822371770 /nfs/dbraw/zinc/37/17/70/822371770.db2.gz PXMGZFLRRCRIPC-WOJBJXKFSA-N 0 0 382.508 4.446 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)CCCc1ccc(OC)cc1 ZINC000453470797 822371963 /nfs/dbraw/zinc/37/19/63/822371963.db2.gz RCNVRIGANNDLNB-PXNSSMCTSA-N 0 0 384.524 4.172 20 30 GIEDRN C=C(C)Cn1c(N(C)Cc2ccc(OC(F)F)cc2)nnc1[C@@]1(C)CCCO1 ZINC000453472473 822372660 /nfs/dbraw/zinc/37/26/60/822372660.db2.gz XMEYFVBKMMEWHA-HXUWFJFHSA-N 0 0 392.450 4.118 20 30 GIEDRN Cc1nn(-c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)c(C)c1Cl ZINC000045244187 822372899 /nfs/dbraw/zinc/37/28/99/822372899.db2.gz UZECZOKWFRMBJG-UHFFFAOYSA-N 0 0 378.863 4.286 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000045246222 822372943 /nfs/dbraw/zinc/37/29/43/822372943.db2.gz BVUDXGHPVKIRGU-UHFFFAOYSA-N 0 0 379.847 4.458 20 30 GIEDRN C=CCN(CCc1ccco1)c1nnc([C@@H]2CCCO2)n1CCc1ccccc1 ZINC000453473360 822372931 /nfs/dbraw/zinc/37/29/31/822372931.db2.gz QBSCCUUQKHABMD-NRFANRHFSA-N 0 0 392.503 4.200 20 30 GIEDRN CC(C)c1ccc(-c2noc(CCC(=O)N(C)Cc3cccc(C#N)c3)n2)cc1 ZINC000045246406 822373096 /nfs/dbraw/zinc/37/30/96/822373096.db2.gz VFZWNHHMRSPOFN-UHFFFAOYSA-N 0 0 388.471 4.323 20 30 GIEDRN Cc1c(C(=O)N(C)Cc2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000045246368 822373136 /nfs/dbraw/zinc/37/31/36/822373136.db2.gz IQAGYGINAZXSNP-UHFFFAOYSA-N 0 0 398.388 4.343 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000178380626 822373211 /nfs/dbraw/zinc/37/32/11/822373211.db2.gz TYGWNVBYPORGKN-UHFFFAOYSA-N 0 0 375.453 4.111 20 30 GIEDRN Cc1c(C(=O)Nc2cccc(C#N)c2C)cnn1-c1ccc(Br)cc1 ZINC000178385049 822373829 /nfs/dbraw/zinc/37/38/29/822373829.db2.gz YVBQUSWNINVRLX-UHFFFAOYSA-N 0 0 395.260 4.376 20 30 GIEDRN C=CC[C@@H]1N(c2nnc([C@]3(C)CCCO3)n2CCCOCC)CCCC1(C)C ZINC000453481042 822375672 /nfs/dbraw/zinc/37/56/72/822375672.db2.gz RCFNVSGTJBDART-AVRDEDQJSA-N 0 0 390.572 4.301 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000178409393 822376503 /nfs/dbraw/zinc/37/65/03/822376503.db2.gz OJDASJZNGCPJMH-SNVBAGLBSA-N 0 0 394.233 4.129 20 30 GIEDRN C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCO1 ZINC000453488290 822377685 /nfs/dbraw/zinc/37/76/85/822377685.db2.gz GZBQZJDGIMMEJR-LEWJYISDSA-N 0 0 396.535 4.281 20 30 GIEDRN C=CCN(CC1CCCCC1)c1nnc([C@@H]2CC[C@H](C)O2)n1C[C@H]1CCCO1 ZINC000453495817 822378574 /nfs/dbraw/zinc/37/85/74/822378574.db2.gz KRFSDGQMMVWMOL-SXLOBPIMSA-N 0 0 388.556 4.270 20 30 GIEDRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)NC[C@@H](C)C#N ZINC000182863694 822381524 /nfs/dbraw/zinc/38/15/24/822381524.db2.gz KODJRDIHAIPXDA-HNNXBMFYSA-N 0 0 387.505 4.027 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000178471919 822382653 /nfs/dbraw/zinc/38/26/53/822382653.db2.gz FDEAOXGAWUTKQW-OAQYLSRUSA-N 0 0 386.455 4.040 20 30 GIEDRN Cc1c2c(nc(SCC(=O)Nc3ccccc3OC(F)F)c1C#N)CCC2 ZINC000045382887 822382681 /nfs/dbraw/zinc/38/26/81/822382681.db2.gz PRBLRGQASQMTFB-UHFFFAOYSA-N 0 0 389.427 4.083 20 30 GIEDRN Cc1cc(Br)c(CN2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000453571873 822386225 /nfs/dbraw/zinc/38/62/25/822386225.db2.gz GJOUDYDYFDCLCU-MRXNPFEDSA-N 0 0 377.307 4.264 20 30 GIEDRN O=C(NCC#Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000045431126 822387116 /nfs/dbraw/zinc/38/71/16/822387116.db2.gz AGLTUEREMSTTQD-SFHVURJKSA-N 0 0 375.497 4.237 20 30 GIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1)C1CC1 ZINC000453584125 822388656 /nfs/dbraw/zinc/38/86/56/822388656.db2.gz OQXALDOQKICLFY-LBPRGKRZSA-N 0 0 399.903 4.216 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000045461964 822388732 /nfs/dbraw/zinc/38/87/32/822388732.db2.gz BCMYDPXJJXQZJW-UHFFFAOYSA-N 0 0 391.924 4.001 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000453585699 822388772 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GIEDRN N#CCN1CCC(OC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000121048014 823108782 /nfs/dbraw/zinc/10/87/82/823108782.db2.gz SVHCUIQGDUDPFY-UHFFFAOYSA-N 0 0 395.846 4.149 20 30 GIEDRN COc1ccc(NCc2cc(C#N)cs2)cc1OCc1cn2ccccc2n1 ZINC000121045735 823108222 /nfs/dbraw/zinc/10/82/22/823108222.db2.gz TTZDCSHCFYRQJH-UHFFFAOYSA-N 0 0 390.468 4.467 20 30 GIEDRN COc1ccc(C=CC(O)=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000121052801 823109729 /nfs/dbraw/zinc/10/97/29/823109729.db2.gz XJXJVHZIPZWEAY-SECOEOQKSA-N 0 0 388.423 4.099 20 30 GIEDRN C=CCn1c(=O)c2ccsc2nc1SCC(=O)c1cccc(Cl)c1 ZINC000121058573 823110625 /nfs/dbraw/zinc/11/06/25/823110625.db2.gz CKJPOAVMAWLAKG-UHFFFAOYSA-N 0 0 376.890 4.272 20 30 GIEDRN COc1ccc(Cc2noc(-c3cc(-c4cccc(C#N)c4)no3)n2)c(F)c1 ZINC000570972333 823113926 /nfs/dbraw/zinc/11/39/26/823113926.db2.gz RDEKCRYZPYQIBN-UHFFFAOYSA-N 0 0 376.347 4.002 20 30 GIEDRN Cc1nn(C)c2ncc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc12 ZINC000056248454 823111662 /nfs/dbraw/zinc/11/16/62/823111662.db2.gz KOQJHJZQONPZMO-UHFFFAOYSA-N 0 0 383.411 4.193 20 30 GIEDRN CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000056248622 823111884 /nfs/dbraw/zinc/11/18/84/823111884.db2.gz NVQITDFFFVTLPW-IBGZPJMESA-N 0 0 377.444 4.080 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000056248817 823111923 /nfs/dbraw/zinc/11/19/23/823111923.db2.gz APCFBHOUZWFNAW-LLVKDONJSA-N 0 0 384.848 4.136 20 30 GIEDRN C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000056248481 823111956 /nfs/dbraw/zinc/11/19/56/823111956.db2.gz HCCIKRPKDIANHQ-INIZCTEOSA-N 0 0 391.471 4.374 20 30 GIEDRN CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H](C)c1cccc(O)c1 ZINC000176071810 823112618 /nfs/dbraw/zinc/11/26/18/823112618.db2.gz PNNRWQGEFVHMBW-GFCCVEGCSA-N 0 0 375.375 4.480 20 30 GIEDRN Cc1cc(CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1Br ZINC000176080586 823114354 /nfs/dbraw/zinc/11/43/54/823114354.db2.gz FSWMVWJYAODEGY-CQSZACIVSA-N 0 0 382.261 4.443 20 30 GIEDRN N#C[C@H](OC(=O)Cc1csc(-c2cc(Br)cs2)n1)C1CC1 ZINC000176084542 823115493 /nfs/dbraw/zinc/11/54/93/823115493.db2.gz ZFBBSSLTURBTGH-NSHDSACASA-N 0 0 383.292 4.022 20 30 GIEDRN N#Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000570999834 823117924 /nfs/dbraw/zinc/11/79/24/823117924.db2.gz ZHERIOOQKWDJNC-UHFFFAOYSA-N 0 0 397.283 4.058 20 30 GIEDRN Cc1csc([C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000176113825 823124469 /nfs/dbraw/zinc/12/44/69/823124469.db2.gz QDIWASPKQWZOST-MRXNPFEDSA-N 0 0 393.434 4.272 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)Nc1cn(C)nc1C1CC1 ZINC000571024035 823121670 /nfs/dbraw/zinc/12/16/70/823121670.db2.gz NFGQFDWVCKDUPU-UHFFFAOYSA-N 0 0 391.269 4.269 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000571024320 823121998 /nfs/dbraw/zinc/12/19/98/823121998.db2.gz NYUXGCYPCIHHOO-HHXXYDBFSA-N 0 0 387.549 4.343 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000056300088 823122887 /nfs/dbraw/zinc/12/28/87/823122887.db2.gz HBCOQSIUXBOOHZ-UHFFFAOYSA-N 0 0 382.485 4.164 20 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/nfs/dbraw/zinc/12/54/46/823125446.db2.gz OCTSYSQHLJTTLP-WMZHIEFXSA-N 0 0 390.531 4.019 20 30 GIEDRN CCOc1cc(Br)c(NC(=O)c2cccc(C#N)c2)cc1OCC ZINC000056314328 823126509 /nfs/dbraw/zinc/12/65/09/823126509.db2.gz RLIJMPXPTQXYIR-UHFFFAOYSA-N 0 0 389.249 4.370 20 30 GIEDRN C=CCn1c2ccccc2n(CN(C)Cc2ccc([S@@](C)=O)cc2)c1=S ZINC000176120151 823126680 /nfs/dbraw/zinc/12/66/80/823126680.db2.gz KDULXAYFQNSNFQ-AREMUKBSSA-N 0 0 385.558 4.185 20 30 GIEDRN Cc1csc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1C#N ZINC000571067517 823127149 /nfs/dbraw/zinc/12/71/49/823127149.db2.gz ZPESTJWGFILZCD-GFCCVEGCSA-N 0 0 384.461 4.325 20 30 GIEDRN COc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)c(OC2CCCC2)c1 ZINC000176121452 823127330 /nfs/dbraw/zinc/12/73/30/823127330.db2.gz HSYCSFJLIMEXGI-UHFFFAOYSA-N 0 0 397.450 4.027 20 30 GIEDRN Cc1csc(NC(=O)c2ccc(C)c(I)c2)c1C#N ZINC000571086867 823130128 /nfs/dbraw/zinc/13/01/28/823130128.db2.gz PDPKFBPTLUFXHR-UHFFFAOYSA-N 0 0 382.226 4.094 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000459096159 823127755 /nfs/dbraw/zinc/12/77/55/823127755.db2.gz ZXIWKCIZOCDWIM-QUCCMNQESA-N 0 0 376.545 4.003 20 30 GIEDRN Cc1cc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000121154466 823128974 /nfs/dbraw/zinc/12/89/74/823128974.db2.gz IMGLTVAOGGEZBX-OAQYLSRUSA-N 0 0 391.496 4.241 20 30 GIEDRN C=CCOc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC000056337541 823130327 /nfs/dbraw/zinc/13/03/27/823130327.db2.gz XSPHACLOJZPZJI-UHFFFAOYSA-N 0 0 396.512 4.218 20 30 GIEDRN C=C(C)[C@H](NCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1 ZINC000187769029 823129394 /nfs/dbraw/zinc/12/93/94/823129394.db2.gz ILBRGOVXUNIJKO-KRWDZBQOSA-N 0 0 387.398 4.368 20 30 GIEDRN CSCC[C@](C)(C#N)NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000571084230 823129589 /nfs/dbraw/zinc/12/95/89/823129589.db2.gz LJMLWISEIMNZCP-LJQANCHMSA-N 0 0 384.530 4.161 20 30 GIEDRN Cc1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)nc(C(F)(F)F)n1 ZINC000187771269 823129601 /nfs/dbraw/zinc/12/96/01/823129601.db2.gz NHXOMKPBLNUSSL-SNVBAGLBSA-N 0 0 380.395 4.308 20 30 GIEDRN C=CCOc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)c1 ZINC000056337569 823130358 /nfs/dbraw/zinc/13/03/58/823130358.db2.gz RDUKGWMUNGTCMM-HXUWFJFHSA-N 0 0 398.528 4.050 20 30 GIEDRN C=C(C)[C@@H](NCC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000187793382 823134196 /nfs/dbraw/zinc/13/41/96/823134196.db2.gz UUUOPAOJDIVEOD-LJQANCHMSA-N 0 0 376.451 4.070 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)c1ccc(F)c(F)c1 ZINC000187802910 823136723 /nfs/dbraw/zinc/13/67/23/823136723.db2.gz PRZVVPIGGZXXEB-SFHVURJKSA-N 0 0 383.402 4.199 20 30 GIEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000176157074 823139027 /nfs/dbraw/zinc/13/90/27/823139027.db2.gz WWZQXPPOEAYDQF-VWLOTQADSA-N 0 0 398.510 4.043 20 30 GIEDRN Cc1sc(NC(=O)CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C#N)c1C ZINC000571144197 823140276 /nfs/dbraw/zinc/14/02/76/823140276.db2.gz LSILKFOHBMHCJU-FQEVSTJZSA-N 0 0 395.528 4.029 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000459191152 823140964 /nfs/dbraw/zinc/14/09/64/823140964.db2.gz MKUYEMQTHAJOAK-OAHLLOKOSA-N 0 0 387.553 4.258 20 30 GIEDRN Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1N1CCOC1=O ZINC000121232701 823143749 /nfs/dbraw/zinc/14/37/49/823143749.db2.gz CYAKDMROSMKTAW-SFHVURJKSA-N 0 0 378.432 4.118 20 30 GIEDRN CN(CCC#N)C(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000176172000 823144283 /nfs/dbraw/zinc/14/42/83/823144283.db2.gz QJWYMXKXHOTQGB-UHFFFAOYSA-N 0 0 388.265 4.405 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000121245417 823146648 /nfs/dbraw/zinc/14/66/48/823146648.db2.gz AOSFMRGVTPIBFS-QGZVFWFLSA-N 0 0 376.460 4.238 20 30 GIEDRN C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000121246636 823146934 /nfs/dbraw/zinc/14/69/34/823146934.db2.gz FHEGGTZBGUOCQF-DNVCBOLYSA-N 0 0 397.450 4.044 20 30 GIEDRN C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000459223070 823147245 /nfs/dbraw/zinc/14/72/45/823147245.db2.gz VDZHCQPNBAHVNC-STZQEDGTSA-N 0 0 376.504 4.274 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000459234406 823149153 /nfs/dbraw/zinc/14/91/53/823149153.db2.gz JNFJHSIAEVEUKL-UHFFFAOYSA-N 0 0 397.441 4.446 20 30 GIEDRN N#CCC[C@H](NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccccc1 ZINC000121258745 823149838 /nfs/dbraw/zinc/14/98/38/823149838.db2.gz BUCNXTZGJLZAFF-OQRWROFFSA-N 0 0 395.406 4.481 20 30 GIEDRN N#CCC[C@@H](NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)c1ccccc1 ZINC000121258543 823149858 /nfs/dbraw/zinc/14/98/58/823149858.db2.gz BUCNXTZGJLZAFF-JWIGPWBQSA-N 0 0 395.406 4.481 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000459252618 823151999 /nfs/dbraw/zinc/15/19/99/823151999.db2.gz CHMQFGQXUQNPOR-UHFFFAOYSA-N 0 0 376.460 4.393 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000571233505 823152724 /nfs/dbraw/zinc/15/27/24/823152724.db2.gz MRYBUHVYMCCSBF-LLVKDONJSA-N 0 0 390.883 4.497 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cccc(NC(N)=O)c1 ZINC000056469840 823156375 /nfs/dbraw/zinc/15/63/75/823156375.db2.gz RRKOPYMWGGECNA-UHFFFAOYSA-N 0 0 386.411 4.402 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000056469787 823156423 /nfs/dbraw/zinc/15/64/23/823156423.db2.gz LMFFKXUZFIQKSK-UHFFFAOYSA-N 0 0 399.406 4.242 20 30 GIEDRN COC1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000459280288 823155922 /nfs/dbraw/zinc/15/59/22/823155922.db2.gz LWUQQYSJFPJKGZ-UHFFFAOYSA-N 0 0 395.478 4.367 20 30 GIEDRN N#Cc1ccc(F)c(CNC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000121292716 823156617 /nfs/dbraw/zinc/15/66/17/823156617.db2.gz NYNHNADOZYZXSK-NRFANRHFSA-N 0 0 377.394 4.425 20 30 GIEDRN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000056470402 823156762 /nfs/dbraw/zinc/15/67/62/823156762.db2.gz BHZINODDSYBLRF-SFHVURJKSA-N 0 0 391.471 4.246 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000056477634 823157531 /nfs/dbraw/zinc/15/75/31/823157531.db2.gz ICCQSQCSEOCVNL-UHFFFAOYSA-N 0 0 385.423 4.462 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000056478604 823157761 /nfs/dbraw/zinc/15/77/61/823157761.db2.gz SPJSPODKPNMFGT-UHFFFAOYSA-N 0 0 394.406 4.107 20 30 GIEDRN C=C(C)Cn1c(Cc2ccc3ccccc3c2)nnc1N(C)Cc1cnccn1 ZINC000571265941 823157985 /nfs/dbraw/zinc/15/79/85/823157985.db2.gz IQPDRWXITNZRAF-UHFFFAOYSA-N 0 0 384.487 4.025 20 30 GIEDRN CC[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000459300333 823158382 /nfs/dbraw/zinc/15/83/82/823158382.db2.gz XUWGNLUCKARONZ-RTWAWAEBSA-N 0 0 379.460 4.021 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000056485264 823158413 /nfs/dbraw/zinc/15/84/13/823158413.db2.gz CUKZYQNGIBPSKG-UHFFFAOYSA-N 0 0 385.467 4.479 20 30 GIEDRN CSc1ccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC000187926085 823159376 /nfs/dbraw/zinc/15/93/76/823159376.db2.gz WPDXQQQDSPEORT-UHFFFAOYSA-N 0 0 399.903 4.063 20 30 GIEDRN Cc1cc(NC(=O)NCC(C)(C)CC#N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000459334180 823163247 /nfs/dbraw/zinc/16/32/47/823163247.db2.gz FVPPYQVHLZWXQT-UHFFFAOYSA-N 0 0 379.386 4.261 20 30 GIEDRN COc1ccc([C@@H](C)CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000176255297 823164026 /nfs/dbraw/zinc/16/40/26/823164026.db2.gz GCJJXNNVAWLKPV-KRWDZBQOSA-N 0 0 378.472 4.130 20 30 GIEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2oc3c(cccc3C)c2C)cc1OC ZINC000121347258 823167763 /nfs/dbraw/zinc/16/77/63/823167763.db2.gz FQZOEYUAUYSAKX-MRXNPFEDSA-N 0 0 392.411 4.028 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000571346756 823168713 /nfs/dbraw/zinc/16/87/13/823168713.db2.gz BDFJMBSULNEEQM-GOSISDBHSA-N 0 0 393.922 4.487 20 30 GIEDRN N#CCCn1cc(CNc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 ZINC000121373360 823172711 /nfs/dbraw/zinc/17/27/11/823172711.db2.gz JKZNZOPMOUKQSS-UHFFFAOYSA-N 0 0 386.434 4.401 20 30 GIEDRN C#Cc1cccc(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000056587297 823175000 /nfs/dbraw/zinc/17/50/00/823175000.db2.gz QEMXTHABEJJNKA-UHFFFAOYSA-N 0 0 387.414 4.381 20 30 GIEDRN C=C[C@@](C)(CCOC)C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000188036767 823175091 /nfs/dbraw/zinc/17/50/91/823175091.db2.gz JBXHQQXWNKTXIG-QHCPKHFHSA-N 0 0 381.472 4.406 20 30 GIEDRN Cc1cc(N2CCCC[C@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571397755 823177397 /nfs/dbraw/zinc/17/73/97/823177397.db2.gz VNKOIZUFVPCOSO-GOSISDBHSA-N 0 0 397.544 4.131 20 30 GIEDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000571397756 823177463 /nfs/dbraw/zinc/17/74/63/823177463.db2.gz VNKOIZUFVPCOSO-SFHVURJKSA-N 0 0 397.544 4.131 20 30 GIEDRN COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cn1 ZINC000056593826 823176647 /nfs/dbraw/zinc/17/66/47/823176647.db2.gz YYGPKSOBRDZWGZ-UHFFFAOYSA-N 0 0 388.427 4.384 20 30 GIEDRN CN(C(=O)CNc1ccc(Cl)cc1OCC(F)F)C1(C#N)CCCCC1 ZINC000571442023 823182953 /nfs/dbraw/zinc/18/29/53/823182953.db2.gz HUGICMNVTPDRQI-UHFFFAOYSA-N 0 0 385.842 4.081 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000188053442 823178287 /nfs/dbraw/zinc/17/82/87/823178287.db2.gz VQSNXALMTNPCQU-UHFFFAOYSA-N 0 0 391.537 4.013 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000056603012 823178662 /nfs/dbraw/zinc/17/86/62/823178662.db2.gz NFGZKFCZBCJWQI-UHFFFAOYSA-N 0 0 395.503 4.060 20 30 GIEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCc3c2cccc3Cl)ccc1OC ZINC000121405133 823178696 /nfs/dbraw/zinc/17/86/96/823178696.db2.gz SNNJSURUBNLSFI-HNNXBMFYSA-N 0 0 399.878 4.302 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000459397562 823183090 /nfs/dbraw/zinc/18/30/90/823183090.db2.gz SAKUSOUYOLFTRS-UHFFFAOYSA-N 0 0 380.423 4.338 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000056616806 823181900 /nfs/dbraw/zinc/18/19/00/823181900.db2.gz SNFSRGQZROKFCW-UHFFFAOYSA-N 0 0 379.439 4.243 20 30 GIEDRN Cc1[nH]c2ccccc2c1C1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000571448355 823184193 /nfs/dbraw/zinc/18/41/93/823184193.db2.gz DDWIDUXUXQZBME-UHFFFAOYSA-N 0 0 394.482 4.437 20 30 GIEDRN C=CCOc1ccc(CN(C(=O)c2cccc(C(=O)N(C)C)c2)C(C)(C)C)cc1 ZINC000188085891 823184250 /nfs/dbraw/zinc/18/42/50/823184250.db2.gz LYORKDZGKHXSEA-UHFFFAOYSA-N 0 0 394.515 4.394 20 30 GIEDRN CN(C)c1ncccc1CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000056624476 823184346 /nfs/dbraw/zinc/18/43/46/823184346.db2.gz HSRUJACFALRFFN-UHFFFAOYSA-N 0 0 387.443 4.133 20 30 GIEDRN CCCOc1ccccc1Oc1ncccc1CNCc1nc(C#N)cs1 ZINC000571451252 823184483 /nfs/dbraw/zinc/18/44/83/823184483.db2.gz DLEWPJMIBVQEDH-UHFFFAOYSA-N 0 0 380.473 4.281 20 30 GIEDRN CCSCc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000056631911 823185990 /nfs/dbraw/zinc/18/59/90/823185990.db2.gz GQJXVJTVLLJFKB-UHFFFAOYSA-N 0 0 379.529 4.164 20 30 GIEDRN Cc1nccc(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC000571468310 823186944 /nfs/dbraw/zinc/18/69/44/823186944.db2.gz UQGGTIXWCQYSMX-UHFFFAOYSA-N 0 0 376.391 4.159 20 30 GIEDRN Cc1cccc2nc(C3CCN(Cc4c(C#N)cccc4[N+](=O)[O-])CC3)oc21 ZINC000459415824 823188091 /nfs/dbraw/zinc/18/80/91/823188091.db2.gz AFMONJTZIQPKMV-UHFFFAOYSA-N 0 0 376.416 4.296 20 30 GIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NCc3cnc4c(C#N)cnn4c3)c2)C1 ZINC000571521991 823195452 /nfs/dbraw/zinc/19/54/52/823195452.db2.gz RCEBXNXYNRFSPA-IIBYNOLFSA-N 0 0 375.476 4.308 20 30 GIEDRN N#C[C@]1(c2nc(-c3ccccc3I)no2)CC12CCCC2 ZINC000571494913 823192000 /nfs/dbraw/zinc/19/20/00/823192000.db2.gz JAOQBSQSRHVJDR-INIZCTEOSA-N 0 0 391.212 4.067 20 30 GIEDRN CCOC(=O)c1oc2ccc(Br)cc2c1CN[C@@H]1CCC[C@@H]1C#N ZINC000459444127 823193282 /nfs/dbraw/zinc/19/32/82/823193282.db2.gz ADCCKBUWMUGDNR-IAQYHMDHSA-N 0 0 391.265 4.154 20 30 GIEDRN CCCCc1nc(-c2cccc(OC(=O)Cc3cccc(OCC#N)c3)c2)no1 ZINC000121489364 823193758 /nfs/dbraw/zinc/19/37/58/823193758.db2.gz OXROZYAGJKOJLC-UHFFFAOYSA-N 0 0 391.427 4.130 20 30 GIEDRN C[C@@H](CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)Cn1ccnc1 ZINC000176395663 823198634 /nfs/dbraw/zinc/19/86/34/823198634.db2.gz QTOYDCOYUUFPDA-KRWDZBQOSA-N 0 0 390.512 4.113 20 30 GIEDRN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1ccccc1N1CCCC1 ZINC000121516196 823198608 /nfs/dbraw/zinc/19/86/08/823198608.db2.gz ADSLAOFZAWGNJF-FQEVSTJZSA-N 0 0 390.531 4.054 20 30 GIEDRN CC(C)N1C/C(=C\c2ccc(C#N)s2)C(=O)/C(=C\c2ccc(C#N)s2)C1 ZINC000176399265 823199704 /nfs/dbraw/zinc/19/97/04/823199704.db2.gz ZBIJJWWYOAMHKA-UFSWOOAPSA-N 0 0 379.510 4.313 20 30 GIEDRN CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000571554038 823199727 /nfs/dbraw/zinc/19/97/27/823199727.db2.gz VBRCABMWPQNJLW-QHCPKHFHSA-N 0 0 396.462 4.360 20 30 GIEDRN N#C[C@@H]1CCC[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000459474126 823199797 /nfs/dbraw/zinc/19/97/97/823199797.db2.gz YOHATOPMPDVRRH-YJLNNSPDSA-N 0 0 398.850 4.210 20 30 GIEDRN CCCc1c(NC(=O)N2CCCC[C@H]2COCC)cnn1-c1cccc(C#N)c1 ZINC000459506376 823206412 /nfs/dbraw/zinc/20/64/12/823206412.db2.gz QJCPRKNWRHHSRH-IBGZPJMESA-N 0 0 395.507 4.119 20 30 GIEDRN C=CCOc1ccc(CNc2ccc(C(N)=O)cc2OCC(F)F)cc1Cl ZINC000571577183 823203272 /nfs/dbraw/zinc/20/32/72/823203272.db2.gz WIXSLYMGZAJSOT-UHFFFAOYSA-N 0 0 396.821 4.260 20 30 GIEDRN N#Cc1ccc(CSc2nnc(C(F)(F)F)s2)c(Br)c1 ZINC000188215411 823204628 /nfs/dbraw/zinc/20/46/28/823204628.db2.gz ZSABUHPTIXUONU-UHFFFAOYSA-N 0 0 380.214 4.483 20 30 GIEDRN N#CC1(CNC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC000571597101 823205193 /nfs/dbraw/zinc/20/51/93/823205193.db2.gz IAIIODBCKRGAPB-UHFFFAOYSA-N 0 0 376.338 4.318 20 30 GIEDRN N#Cc1ccc(C2(C(=O)Nc3ccc(-c4ncc5n4CCCC5)cc3)CC2)cc1 ZINC000188221183 823205657 /nfs/dbraw/zinc/20/56/57/823205657.db2.gz PNRJJQBWODVCSF-UHFFFAOYSA-N 0 0 382.467 4.428 20 30 GIEDRN Cc1cc(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)sc1Br ZINC000124584194 823608561 /nfs/dbraw/zinc/60/85/61/823608561.db2.gz LMXBQZBJTUAHPM-CYBMUJFWSA-N 0 0 399.335 4.142 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000056757050 823207907 /nfs/dbraw/zinc/20/79/07/823207907.db2.gz CQOCIUFEQHKZJM-UHFFFAOYSA-N 0 0 388.471 4.036 20 30 GIEDRN 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C=CCc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)c(OC)c1 ZINC000015315850 818312341 /nfs/dbraw/zinc/31/23/41/818312341.db2.gz NXJMJBGEDPZQKT-UHFFFAOYSA-N 0 0 380.488 4.432 20 30 GIEDRN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015331443 818313746 /nfs/dbraw/zinc/31/37/46/818313746.db2.gz RMKMQHUEZBDGTO-SNVBAGLBSA-N 0 0 379.641 4.380 20 30 GIEDRN COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000015336671 818314122 /nfs/dbraw/zinc/31/41/22/818314122.db2.gz YTOKISSPSAMGHS-QGZVFWFLSA-N 0 0 386.451 4.318 20 30 GIEDRN C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000015503646 818331511 /nfs/dbraw/zinc/33/15/11/818331511.db2.gz WNASFHQWPGMCMC-VGOFRKELSA-N 0 0 394.471 4.006 20 30 GIEDRN N#Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000015544884 818336465 /nfs/dbraw/zinc/33/64/65/818336465.db2.gz IVOHAXRHMCLTAR-UHFFFAOYSA-N 0 0 376.243 4.014 20 30 GIEDRN C=CCC[C@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C)c1ccccc1 ZINC000188928003 823329699 /nfs/dbraw/zinc/32/96/99/823329699.db2.gz 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378.350 4.079 20 30 GIEDRN C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000460258262 823333072 /nfs/dbraw/zinc/33/30/72/823333072.db2.gz DSIWFJNTVSBEFN-AWEZNQCLSA-N 0 0 376.378 4.266 20 30 GIEDRN CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409891227 823337301 /nfs/dbraw/zinc/33/73/01/823337301.db2.gz FCOBNDYEACYCBX-UHFFFAOYSA-N 0 0 390.834 4.019 20 30 GIEDRN CC(C)(C)[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000176956767 823334022 /nfs/dbraw/zinc/33/40/22/823334022.db2.gz DSYPNRJIAPPXOI-LJQANCHMSA-N 0 0 387.430 4.454 20 30 GIEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000016151347 818398333 /nfs/dbraw/zinc/39/83/33/818398333.db2.gz YGBJBFIUXGBTKG-GOSISDBHSA-N 0 0 379.847 4.109 20 30 GIEDRN N#Cc1ccc(C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000016320629 818423213 /nfs/dbraw/zinc/42/32/13/818423213.db2.gz SMFGEVUDEPESIR-UHFFFAOYSA-N 0 0 377.371 4.316 20 30 GIEDRN N#Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 ZINC000016331400 818425153 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CC[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)c1c(C)noc1C ZINC000182447667 822246424 /nfs/dbraw/zinc/24/64/24/822246424.db2.gz VESBBSRZFXUWIL-CZUORRHYSA-N 0 0 386.521 4.223 20 30 GIEDRN CC(C)[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000182519961 822280236 /nfs/dbraw/zinc/28/02/36/822280236.db2.gz QXESOIBOGNZCFO-OAQYLSRUSA-N 0 0 376.456 4.140 20 30 GIEDRN COc1ccc(C[S@](=O)CCCC(C)(C)C#N)c(Br)c1OC ZINC000178017193 822283737 /nfs/dbraw/zinc/28/37/37/822283737.db2.gz BFZWCEQCEKEODB-JOCHJYFZSA-N 0 0 388.327 4.045 20 30 GIEDRN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000178046445 822297928 /nfs/dbraw/zinc/29/79/28/822297928.db2.gz NSGRUWVMYCNJLA-SORZYCEUSA-N 0 0 380.513 4.035 20 30 GIEDRN Cc1nc(-c2ccccc2)ncc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084125 822312718 /nfs/dbraw/zinc/31/27/18/822312718.db2.gz IPSROFJSRYDGDM-KRWDZBQOSA-N 0 0 390.830 4.067 20 30 GIEDRN C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1-n1cccn1 ZINC000178086037 822313457 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N#Cc1cccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@@H]2CCO)c1 ZINC000178271839 822361490 /nfs/dbraw/zinc/36/14/90/822361490.db2.gz RPIKOIWMAKMCRK-LJQANCHMSA-N 0 0 397.906 4.201 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000453428246 822361581 /nfs/dbraw/zinc/36/15/81/822361581.db2.gz ZSFKUOWGSCHSEA-NZQKXSOJSA-N 0 0 378.520 4.190 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N(CC)Cc1cccc(Br)c1 ZINC000453428115 822361595 /nfs/dbraw/zinc/36/15/95/822361595.db2.gz ZMYLTYKIZUWQEN-INIZCTEOSA-N 0 0 391.313 4.105 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000453427208 822361683 /nfs/dbraw/zinc/36/16/83/822361683.db2.gz VLLVCYBSEYQMGN-WBVHZDCISA-N 0 0 392.425 4.328 20 30 GIEDRN Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)COc1cccc(C#N)c1 ZINC000045085503 822361912 /nfs/dbraw/zinc/36/19/12/822361912.db2.gz AJIWHAAVAFPTSU-UHFFFAOYSA-N 0 0 385.423 4.137 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000453433812 822362209 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C=C(C)Cn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1-c1ccncc1 ZINC000178289892 822363797 /nfs/dbraw/zinc/36/37/97/822363797.db2.gz XOYYQAVLUPKZLG-GOSISDBHSA-N 0 0 394.500 4.313 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1csc(Br)c1 ZINC000453444570 822364081 /nfs/dbraw/zinc/36/40/81/822364081.db2.gz SOBBDSHWOYBJJP-CYBMUJFWSA-N 0 0 397.342 4.166 20 30 GIEDRN C=CCn1c(N2CCC[C@@H]2Cc2ccccc2Cl)nnc1[C@@]1(C)CCCO1 ZINC000453446707 822364233 /nfs/dbraw/zinc/36/42/33/822364233.db2.gz WIYHEGWLBNWDMW-DYESRHJHSA-N 0 0 386.927 4.355 20 30 GIEDRN CC[C@H]1c2ccsc2CCN1C(=O)CSCCOc1cccc(C#N)c1 ZINC000182766102 822364279 /nfs/dbraw/zinc/36/42/79/822364279.db2.gz WOPOXBOGJNQCGV-SFHVURJKSA-N 0 0 386.542 4.268 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000453449396 822364907 /nfs/dbraw/zinc/36/49/07/822364907.db2.gz ZUJNPTUCVRNWLM-GHTZIAJQSA-N 0 0 388.462 4.228 20 30 GIEDRN C=CCn1c(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453449262 822364929 /nfs/dbraw/zinc/36/49/29/822364929.db2.gz ZRINNIDEBPDVFY-RHSMWYFYSA-N 0 0 384.446 4.049 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCc2cc(OCCC)ccc2C1 ZINC000453449242 822364965 /nfs/dbraw/zinc/36/49/65/822364965.db2.gz ZQXLLCVXBUBDOG-HXUWFJFHSA-N 0 0 382.508 4.057 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H]1COC ZINC000453450841 822365544 /nfs/dbraw/zinc/36/55/44/822365544.db2.gz IHIAPYYJQYQSSX-SJLPKXTDSA-N 0 0 388.487 4.139 20 30 GIEDRN CC(C)CCN(CCC#N)c1nnc([C@@]2(C)CCCO2)n1CCc1ccccc1 ZINC000453457186 822367612 /nfs/dbraw/zinc/36/76/12/822367612.db2.gz WYLGISLNHYRRLE-HSZRJFAPSA-N 0 0 395.551 4.313 20 30 GIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453457247 822367657 /nfs/dbraw/zinc/36/76/57/822367657.db2.gz XNIOQPVEPAIBNP-MXVIHJGJSA-N 0 0 389.503 4.307 20 30 GIEDRN COc1ccc(C2(C(=O)N(C)Cc3cccc(C#N)c3)CCCC2)cc1OC ZINC000182789531 822367842 /nfs/dbraw/zinc/36/78/42/822367842.db2.gz BIURUIRZVKOXAH-UHFFFAOYSA-N 0 0 378.472 4.046 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000453461013 822368791 /nfs/dbraw/zinc/36/87/91/822368791.db2.gz FPEWISRZBUXYKP-IBGZPJMESA-N 0 0 397.910 4.334 20 30 GIEDRN C=C(C)Cn1c(N2CCC(F)(c3ccccc3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453461204 822368829 /nfs/dbraw/zinc/36/88/29/822368829.db2.gz GAGQOMBRYSTHOT-NRFANRHFSA-N 0 0 384.499 4.345 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)Cc1ccccc1OC ZINC000453462586 822369330 /nfs/dbraw/zinc/36/93/30/822369330.db2.gz IFYFPXPHZSFMLM-FXAWDEMLSA-N 0 0 384.524 4.172 20 30 GIEDRN C=C(C)Cn1c(N2CC[C@@H](CSc3ccccc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453462990 822369464 /nfs/dbraw/zinc/36/94/64/822369464.db2.gz IGUTZHDOVQZYEN-GCJKJVERSA-N 0 0 398.576 4.498 20 30 GIEDRN N#Cc1ccc(CCC(=O)N(Cc2cccc(Br)c2)C2CC2)cc1 ZINC000045197011 822369784 /nfs/dbraw/zinc/36/97/84/822369784.db2.gz WJKCCDDJDYXRAO-UHFFFAOYSA-N 0 0 383.289 4.445 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000045231748 822371455 /nfs/dbraw/zinc/37/14/55/822371455.db2.gz FMKDELJBDWNYDF-NRFANRHFSA-N 0 0 387.487 4.003 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000453469589 822371550 /nfs/dbraw/zinc/37/15/50/822371550.db2.gz XPTIPORUZINXFO-HXUWFJFHSA-N 0 0 377.492 4.136 20 30 GIEDRN C=C(C)Cn1c(N2CCC[C@H]2Cc2ccccc2OC)nnc1[C@@]1(C)CCCO1 ZINC000453470326 822371780 /nfs/dbraw/zinc/37/17/80/822371780.db2.gz PPSYJDGKRZDQMN-WMZHIEFXSA-N 0 0 396.535 4.100 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@@H](C)c2c(F)cccc2F)nnc1[C@]1(C)CCCO1 ZINC000453470824 822371854 /nfs/dbraw/zinc/37/18/54/822371854.db2.gz RDRIQNLWZKRWCR-XOBRGWDASA-N 0 0 376.451 4.355 20 30 GIEDRN C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(F)cc2F)nnc1[C@]1(C)CCCO1 ZINC000453472065 822372490 /nfs/dbraw/zinc/37/24/90/822372490.db2.gz VQOAIZLMFWAKCF-NQIIRXRSSA-N 0 0 388.462 4.500 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@@H](C)c2cc(F)ccc2F)nnc1[C@]1(C)CCCO1 ZINC000453472421 822372522 /nfs/dbraw/zinc/37/25/22/822372522.db2.gz XETQTGUXEDKKKI-XOBRGWDASA-N 0 0 376.451 4.355 20 30 GIEDRN CC(C)c1cc(C(=O)N(C)Cc2cccc(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000045244409 822372892 /nfs/dbraw/zinc/37/28/92/822372892.db2.gz IQANZTKENONEPL-UHFFFAOYSA-N 0 0 375.476 4.279 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000045244426 822372905 /nfs/dbraw/zinc/37/29/05/822372905.db2.gz MDMGEUPWPPOBAR-UHFFFAOYSA-N 0 0 375.453 4.144 20 30 GIEDRN Cc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(Br)n1 ZINC000178379784 822373168 /nfs/dbraw/zinc/37/31/68/822373168.db2.gz AXHNHEDWHXBMTE-UHFFFAOYSA-N 0 0 385.265 4.221 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000045267513 822374736 /nfs/dbraw/zinc/37/47/36/822374736.db2.gz IGJAXKAMMZPTTL-FQEVSTJZSA-N 0 0 378.451 4.046 20 30 GIEDRN N#Cc1c2c(sc1NC(=O)CCc1nnc(-c3ccc(Cl)cc3)o1)CCC2 ZINC000178405686 822376123 /nfs/dbraw/zinc/37/61/23/822376123.db2.gz HUWGKFOFOYYTMZ-UHFFFAOYSA-N 0 0 398.875 4.383 20 30 GIEDRN Cc1noc(-c2ccccc2C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000182851947 822379050 /nfs/dbraw/zinc/37/90/50/822379050.db2.gz HCZZTBOFQJKIQU-CQSZACIVSA-N 0 0 393.353 4.280 20 30 GIEDRN C=CCN(Cc1ccccc1)c1nnc([C@@]2(C)CCCO2)n1C[C@H]1CCCCO1 ZINC000453504904 822379733 /nfs/dbraw/zinc/37/97/33/822379733.db2.gz BJMLOHRNHCCGTF-NFBKMPQASA-N 0 0 396.535 4.065 20 30 GIEDRN CCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@@H](C)c1cc2ccccc2o1 ZINC000178449749 822379938 /nfs/dbraw/zinc/37/99/38/822379938.db2.gz KMMDILXEIPAQGK-HNNXBMFYSA-N 0 0 375.428 4.161 20 30 GIEDRN Cc1csc(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC000045357601 822381155 /nfs/dbraw/zinc/38/11/55/822381155.db2.gz PCGDARXSYZGFDL-UHFFFAOYSA-N 0 0 392.484 4.418 20 30 GIEDRN N#Cc1ccnc(S[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000182861291 822381253 /nfs/dbraw/zinc/38/12/53/822381253.db2.gz CSINMHPYQVITHX-MRXNPFEDSA-N 0 0 391.418 4.255 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)nnc1C1CC1 ZINC000045360932 822381450 /nfs/dbraw/zinc/38/14/50/822381450.db2.gz ZDCOZIIMTDLHGF-QAPCUYQASA-N 0 0 384.549 4.480 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000178462393 822381536 /nfs/dbraw/zinc/38/15/36/822381536.db2.gz NNQVHXPTEOXIDF-LLVKDONJSA-N 0 0 390.270 4.032 20 30 GIEDRN C=CCC[C@H](NC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000178468256 822382376 /nfs/dbraw/zinc/38/23/76/822382376.db2.gz JYIJBRSNTLXEKW-UGKGYDQZSA-N 0 0 397.563 4.374 20 30 GIEDRN CN(C)C(=O)Nc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(Cl)c1 ZINC000178479394 822383495 /nfs/dbraw/zinc/38/34/95/822383495.db2.gz QNPQVJOBJGGGIA-UHFFFAOYSA-N 0 0 396.878 4.110 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nc(SC)nc1C ZINC000045404274 822384781 /nfs/dbraw/zinc/38/47/81/822384781.db2.gz UBDWWNHHWBMLDF-UHFFFAOYSA-N 0 0 382.533 4.058 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccc(F)cc1F ZINC000453569180 822385603 /nfs/dbraw/zinc/38/56/03/822385603.db2.gz CHPVGDFQBOBHJM-SNVBAGLBSA-N 0 0 391.443 4.011 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)o1 ZINC000178516261 822386964 /nfs/dbraw/zinc/38/69/64/822386964.db2.gz ABIMCWXLUNICLT-UHFFFAOYSA-N 0 0 384.395 4.373 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1cc2ccccc2o1 ZINC000453580687 822387906 /nfs/dbraw/zinc/38/79/06/822387906.db2.gz KOLSOSSKJLIYCO-GFCCVEGCSA-N 0 0 395.484 4.479 20 30 GIEDRN CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C)n2)C(C)C)cc1 ZINC000453585709 822388857 /nfs/dbraw/zinc/38/88/57/822388857.db2.gz QZWJERIDXOWHFY-YCRPNKLZSA-N 0 0 392.503 4.227 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000045466928 822388927 /nfs/dbraw/zinc/38/89/27/822388927.db2.gz LBFOUDDVWDAENZ-UHFFFAOYSA-N 0 0 386.499 4.342 20 30 GIEDRN C[S@@](=O)Cc1cccc(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000182904104 822389729 /nfs/dbraw/zinc/38/97/29/822389729.db2.gz INUKVSOHGHWGEZ-MUUNZHRXSA-N 0 0 390.464 4.481 20 30 GIEDRN N#CCC[C@H](NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000178545152 822390368 /nfs/dbraw/zinc/39/03/68/822390368.db2.gz KKPUHMXQNWSLDT-NRFANRHFSA-N 0 0 391.471 4.108 20 30 GIEDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453600156 822391255 /nfs/dbraw/zinc/39/12/55/822391255.db2.gz ROPWXFFILHBDFZ-LBPRGKRZSA-N 0 0 387.480 4.214 20 30 GIEDRN CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000045500727 822391340 /nfs/dbraw/zinc/39/13/40/822391340.db2.gz ZZHIYNZBLLFGQX-QVKFZJNVSA-N 0 0 397.906 4.389 20 30 GIEDRN CCN(C(=O)CCc1nc(-c2ccc(F)cc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500304 822391345 /nfs/dbraw/zinc/39/13/45/822391345.db2.gz HKLGKJMPCKZGBF-HNNXBMFYSA-N 0 0 392.434 4.290 20 30 GIEDRN CCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500322 822391351 /nfs/dbraw/zinc/39/13/51/822391351.db2.gz ILSKKHLKWYIBHS-SBUREZEXSA-N 0 0 387.483 4.432 20 30 GIEDRN CCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500969 822391449 /nfs/dbraw/zinc/39/14/49/822391449.db2.gz SQNMZWGPXJHYIU-JXFKEZNVSA-N 0 0 375.472 4.059 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 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Cc1nn(C(C)(C)C)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000182269716 822180649 /nfs/dbraw/zinc/18/06/49/822180649.db2.gz UDHSEMKGEOMTDL-UHFFFAOYSA-N 0 0 379.489 4.118 20 30 GIEDRN COc1ccc2[nH]cc(C(=O)/C=C/c3cn(C)nc3-c3ccc(C#N)cc3)c2c1 ZINC000182289895 822189381 /nfs/dbraw/zinc/18/93/81/822189381.db2.gz XJPXFVYECMCSDJ-JXMROGBWSA-N 0 0 382.423 4.345 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000182327582 822203425 /nfs/dbraw/zinc/20/34/25/822203425.db2.gz MGLUMJSICGGAFG-UHFFFAOYSA-N 0 0 398.466 4.276 20 30 GIEDRN CCOc1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1CO ZINC000182343263 822209144 /nfs/dbraw/zinc/20/91/44/822209144.db2.gz FBDDTVHDRSMUBO-UHFFFAOYSA-N 0 0 388.423 4.494 20 30 GIEDRN COC(=O)CC(C)(C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000182360700 822215091 /nfs/dbraw/zinc/21/50/91/822215091.db2.gz XPSLBQCFCBZVGT-UHFFFAOYSA-N 0 0 394.471 4.250 20 30 GIEDRN COC(=O)CC(C)(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000182406297 822232166 /nfs/dbraw/zinc/23/21/66/822232166.db2.gz 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Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C#N)cc2)c1 ZINC000178292676 822364050 /nfs/dbraw/zinc/36/40/50/822364050.db2.gz WIWXOPMECKRETQ-XMMPIXPASA-N 0 0 399.494 4.312 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCn2c(cc3c2cccc3Cl)C1 ZINC000453447419 822364556 /nfs/dbraw/zinc/36/45/56/822364556.db2.gz XHKFUILEAIWVQK-LJQANCHMSA-N 0 0 397.910 4.334 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCCC[C@H]1COC ZINC000453452800 822366205 /nfs/dbraw/zinc/36/62/05/822366205.db2.gz NEZWZQXNALYFMG-SJORKVTESA-N 0 0 388.487 4.139 20 30 GIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453452706 822366316 /nfs/dbraw/zinc/36/63/16/822366316.db2.gz MXILDEAMJQCSPU-QHCPKHFHSA-N 0 0 391.519 4.020 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000453453986 822366626 /nfs/dbraw/zinc/36/66/26/822366626.db2.gz BDHJURDWDMURFM-KXBFYZLASA-N 0 0 397.479 4.171 20 30 GIEDRN CC(C)CCN(CCC#N)c1nnc([C@]2(C)CCCO2)n1CCc1ccccc1 ZINC000453457187 822367608 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N#C[C@H](CCc1ccccc1)C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000569414492 822919347 /nfs/dbraw/zinc/91/93/47/822919347.db2.gz CUMJOQJSCPAZIK-RBUKOAKNSA-N 0 0 378.476 4.163 20 30 GIEDRN CCCCOc1cccc(NC(=O)C(=O)N(CCC)Cc2ccc(C#N)cc2)c1 ZINC000054877815 822919528 /nfs/dbraw/zinc/91/95/28/822919528.db2.gz RHDPOFXTOLSZNA-UHFFFAOYSA-N 0 0 393.487 4.114 20 30 GIEDRN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)ncc1C#N ZINC000457793466 822919785 /nfs/dbraw/zinc/91/97/85/822919785.db2.gz WLRWENOIAGDYLX-QGZVFWFLSA-N 0 0 388.240 4.141 20 30 GIEDRN CC(=O)N(c1nc(/C=C2\Oc3cc(O)ccc3C2=O)cs1)c1ccc(C)cc1 ZINC000054897876 822920327 /nfs/dbraw/zinc/92/03/27/822920327.db2.gz DJQBAISMHYCQNF-OCKHKDLRSA-N 0 0 392.436 4.458 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](COC)C1 ZINC000569476464 822927711 /nfs/dbraw/zinc/92/77/11/822927711.db2.gz NWOHESMHTGNKBR-AWEZNQCLSA-N 0 0 378.879 4.177 20 30 GIEDRN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N(C)CC(C)(C)C#N)c2)c1 ZINC000457883285 822928417 /nfs/dbraw/zinc/92/84/17/822928417.db2.gz CQIWKSYSXZFHKZ-UHFFFAOYSA-N 0 0 393.491 4.330 20 30 GIEDRN CC(C)Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc([O-])c2)cc1 ZINC000055014023 822931414 /nfs/dbraw/zinc/93/14/14/822931414.db2.gz BUQFZVVBXGZJMX-UHFFFAOYSA-O 0 0 385.553 4.205 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000055017694 822931857 /nfs/dbraw/zinc/93/18/57/822931857.db2.gz NUQIASJLMAAFEN-UHFFFAOYSA-N 0 0 398.441 4.164 20 30 GIEDRN O=C(Nc1c(F)cc(F)cc1F)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000175313498 822932306 /nfs/dbraw/zinc/93/23/06/822932306.db2.gz DSFQZNUSNRISRB-UHFFFAOYSA-N 0 0 382.235 4.030 20 30 GIEDRN N#Cc1cscc1C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000569513503 822932654 /nfs/dbraw/zinc/93/26/54/822932654.db2.gz ZKOPTTNFZOGLKD-UHFFFAOYSA-N 0 0 377.454 4.181 20 30 GIEDRN C=CCOc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457913759 822934265 /nfs/dbraw/zinc/93/42/65/822934265.db2.gz CLKXYXTYWYTWMW-QGZVFWFLSA-N 0 0 383.410 4.073 20 30 GIEDRN CSc1cc(C2=NN/C(=N\c3ccc(F)cc3)SC2)ccc1NC(C)=O ZINC000055048262 822934854 /nfs/dbraw/zinc/93/48/54/822934854.db2.gz SQPXBXZHLJGFDI-UHFFFAOYSA-N 0 0 388.493 4.234 20 30 GIEDRN COCCN(Cc1cccs1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055095292 822937256 /nfs/dbraw/zinc/93/72/56/822937256.db2.gz FRDYWHTWSHLLEK-UHFFFAOYSA-N 0 0 396.468 4.081 20 30 GIEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)c2)cc1 ZINC000569546044 822938162 /nfs/dbraw/zinc/93/81/62/822938162.db2.gz ZMLNBDOJRQTBPE-YPAWHYETSA-N 0 0 376.456 4.116 20 30 GIEDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000175336238 822938820 /nfs/dbraw/zinc/93/88/20/822938820.db2.gz LULNPIQRVCUVIZ-QGZVFWFLSA-N 0 0 389.402 4.056 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000175346224 822940897 /nfs/dbraw/zinc/94/08/97/822940897.db2.gz YXGZOMPKWZDWOS-UHFFFAOYSA-N 0 0 394.496 4.125 20 30 GIEDRN COC[C@@H](C)n1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000186708423 822941684 /nfs/dbraw/zinc/94/16/84/822941684.db2.gz PSHUGQGGFMIZPI-MRXNPFEDSA-N 0 0 390.443 4.315 20 30 GIEDRN CCSCC[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000175354654 822943613 /nfs/dbraw/zinc/94/36/13/822943613.db2.gz JGTYPQRKPYORKP-HNNXBMFYSA-N 0 0 396.516 4.464 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](F)C2)cc1 ZINC000569602622 822943738 /nfs/dbraw/zinc/94/37/38/822943738.db2.gz GARBKGYOBUWMJC-RDJZCZTQSA-N 0 0 397.475 4.045 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)cc1 ZINC000569602620 822943754 /nfs/dbraw/zinc/94/37/54/822943754.db2.gz GARBKGYOBUWMJC-DOTOQJQBSA-N 0 0 397.475 4.045 20 30 GIEDRN N#Cc1ccccc1N1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S ZINC000055182401 822944055 /nfs/dbraw/zinc/94/40/55/822944055.db2.gz HCEDCQWPKHDHBI-VCHYOVAHSA-N 0 0 388.477 4.150 20 30 GIEDRN CC(C)(CC#N)CNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000457988809 822948156 /nfs/dbraw/zinc/94/81/56/822948156.db2.gz DIQLGPWQTMDJDL-UHFFFAOYSA-N 0 0 395.290 4.422 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000457990942 822948191 /nfs/dbraw/zinc/94/81/91/822948191.db2.gz QIHOTGBGIDQVDK-UHFFFAOYSA-N 0 0 390.462 4.277 20 30 GIEDRN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCC(C)(C)CC#N ZINC000457991580 822948338 /nfs/dbraw/zinc/94/83/38/822948338.db2.gz RSBFNQGGQMOYDD-UHFFFAOYSA-N 0 0 377.897 4.354 20 30 GIEDRN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCC(C)(C)CC#N)cc12 ZINC000457992858 822948540 /nfs/dbraw/zinc/94/85/40/822948540.db2.gz UVLIWTSBLVRJCB-UHFFFAOYSA-N 0 0 384.480 4.263 20 30 GIEDRN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCC(C)(C)CC#N ZINC000457994571 822948758 /nfs/dbraw/zinc/94/87/58/822948758.db2.gz XVTBGHWVDMHJFL-UHFFFAOYSA-N 0 0 393.318 4.395 20 30 GIEDRN COc1cccc2c1N(C(=O)c1ccc(COc3ccccc3C#N)o1)CCC2 ZINC000055278645 822948984 /nfs/dbraw/zinc/94/89/84/822948984.db2.gz MEBHDUQWLFMMGE-UHFFFAOYSA-N 0 0 388.423 4.332 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000458022983 822951368 /nfs/dbraw/zinc/95/13/68/822951368.db2.gz VRGOLZBKALQMFA-UHFFFAOYSA-N 0 0 398.938 4.139 20 30 GIEDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000569658332 822951659 /nfs/dbraw/zinc/95/16/59/822951659.db2.gz WJMVXPSZQCWWNX-OCBCSQNSSA-N 0 0 384.277 4.237 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)c1nnc(C(C)(C)C)s1 ZINC000458029543 822951981 /nfs/dbraw/zinc/95/19/81/822951981.db2.gz GTBMQHUIHAQQFW-UHFFFAOYSA-N 0 0 396.310 4.415 20 30 GIEDRN N#Cc1ccc(Oc2cccc(C(=O)NC[C@H]3CCOC4(CCC4)C3)c2)cc1 ZINC000569664239 822952411 /nfs/dbraw/zinc/95/24/11/822952411.db2.gz UPCPUPSYHXXGTM-SFHVURJKSA-N 0 0 376.456 4.430 20 30 GIEDRN Cc1noc(C)c1COc1ccccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000175381752 822953012 /nfs/dbraw/zinc/95/30/12/822953012.db2.gz APNBPOYWEBMAMD-IBGZPJMESA-N 0 0 390.439 4.410 20 30 GIEDRN CCOC(=O)c1ccc(C#N)c(SCc2cccc(Br)c2)n1 ZINC000055336792 822953125 /nfs/dbraw/zinc/95/31/25/822953125.db2.gz VATKAQMCDHTOND-UHFFFAOYSA-N 0 0 377.263 4.185 20 30 GIEDRN N#Cc1ccc(C2(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2)cc1 ZINC000186774349 822953247 /nfs/dbraw/zinc/95/32/47/822953247.db2.gz KJDTXUSXKAFFDT-UHFFFAOYSA-N 0 0 390.424 4.260 20 30 GIEDRN N#C[C@@H](COC(=O)CCCc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000175385650 822954392 /nfs/dbraw/zinc/95/43/92/822954392.db2.gz JTXSSWUCIWVQEB-KRWDZBQOSA-N 0 0 393.418 4.124 20 30 GIEDRN N#C[C@H](COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)Cc1ccccc1 ZINC000175389448 822955866 /nfs/dbraw/zinc/95/58/66/822955866.db2.gz DKMFLAXDCPUVOL-ITAUSPCMSA-N 0 0 396.531 4.167 20 30 GIEDRN CCCN(C(=O)Nc1ccn(CCC#N)n1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000175394465 822957938 /nfs/dbraw/zinc/95/79/38/822957938.db2.gz BCOYXIJPNZKHAG-MSOLQXFVSA-N 0 0 387.528 4.169 20 30 GIEDRN CN(C(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000055419219 822959736 /nfs/dbraw/zinc/95/97/36/822959736.db2.gz LGJNXLNYOBMNTN-QHCPKHFHSA-N 0 0 387.508 4.434 20 30 GIEDRN C[C@@H](Sc1ccc(C(F)(F)F)nn1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000186815013 822959891 /nfs/dbraw/zinc/95/98/91/822959891.db2.gz ZVJFQLPJEVDJAL-MRVPVSSYSA-N 0 0 386.786 4.140 20 30 GIEDRN C=CCc1cc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc(OC)c1OC ZINC000458119598 822960083 /nfs/dbraw/zinc/96/00/83/822960083.db2.gz FRDUGLLDDJBNFS-OAQYLSRUSA-N 0 0 396.487 4.462 20 30 GIEDRN N#CCc1ccc(NC(=O)CSc2nc3cc(F)cc(Cl)c3o2)cc1 ZINC000186818663 822960764 /nfs/dbraw/zinc/96/07/64/822960764.db2.gz AXLMDCJCYSOYPA-UHFFFAOYSA-N 0 0 375.812 4.417 20 30 GIEDRN O=C(Cc1cccc(C(F)(F)F)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000055424826 822960950 /nfs/dbraw/zinc/96/09/50/822960950.db2.gz YXJRNQFMZIMGLK-UHFFFAOYSA-N 0 0 385.307 4.435 20 30 GIEDRN COc1ccc(SCCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000055425195 822961021 /nfs/dbraw/zinc/96/10/21/822961021.db2.gz QQEKHHSPZPTMBV-UHFFFAOYSA-N 0 0 393.430 4.364 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000055428010 822961544 /nfs/dbraw/zinc/96/15/44/822961544.db2.gz TXOIILSMLFXRFE-UHFFFAOYSA-N 0 0 389.367 4.276 20 30 GIEDRN CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000055430266 822962283 /nfs/dbraw/zinc/96/22/83/822962283.db2.gz CQUTZKQFBIGNNP-UHFFFAOYSA-N 0 0 387.395 4.267 20 30 GIEDRN CCC[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1nnc2ccccn21 ZINC000458160241 822963857 /nfs/dbraw/zinc/96/38/57/822963857.db2.gz IZDQAHSEZXZZTG-RTBURBONSA-N 0 0 390.491 4.305 20 30 GIEDRN CCC[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1nnc2ccccn21 ZINC000458160240 822963959 /nfs/dbraw/zinc/96/39/59/822963959.db2.gz IZDQAHSEZXZZTG-RBUKOAKNSA-N 0 0 390.491 4.305 20 30 GIEDRN Cc1nc(NC(=O)c2cnccc2C#N)sc1Cc1ccc(Cl)cc1F ZINC000569763736 822965213 /nfs/dbraw/zinc/96/52/13/822965213.db2.gz GQBDQJCNPHRZKF-UHFFFAOYSA-N 0 0 386.839 4.354 20 30 GIEDRN C=C(C)[C@H](Nc1ncnc2c1cnn2-c1ccncc1)c1ccc(F)c(F)c1 ZINC000186840095 822965353 /nfs/dbraw/zinc/96/53/53/822965353.db2.gz VBEGGRRJTYENHZ-SFHVURJKSA-N 0 0 378.386 4.218 20 30 GIEDRN C[C@@H](Sc1ccc(C(F)(F)F)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186842043 822965688 /nfs/dbraw/zinc/96/56/88/822965688.db2.gz GNNKGWJHQSJVRC-MRVPVSSYSA-N 0 0 398.435 4.037 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000175448634 822971302 /nfs/dbraw/zinc/97/13/02/822971302.db2.gz FBPFYESMDDOJJH-SFHVURJKSA-N 0 0 388.496 4.452 20 30 GIEDRN N#Cc1csc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)c1 ZINC000175449829 822971545 /nfs/dbraw/zinc/97/15/45/822971545.db2.gz ALOSAMPOWUUDEB-BRSWLGOBSA-N 0 0 384.507 4.345 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC000175464628 822975495 /nfs/dbraw/zinc/97/54/95/822975495.db2.gz MCIRFRZCXWVTCQ-FXAWDEMLSA-N 0 0 382.485 4.230 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000569879633 822979888 /nfs/dbraw/zinc/97/98/88/822979888.db2.gz ARSSMSHYPJZGNY-UHFFFAOYSA-N 0 0 390.468 4.223 20 30 GIEDRN C=CC[C@@H](C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1)c1ccccc1 ZINC000186919979 822980049 /nfs/dbraw/zinc/98/00/49/822980049.db2.gz DDKWQDMKRSIXDD-QGZVFWFLSA-N 0 0 386.879 4.015 20 30 GIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000569886623 822980610 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C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC000569890513 822981191 /nfs/dbraw/zinc/98/11/91/822981191.db2.gz MZSQICSPRWBCBP-OAQYLSRUSA-N 0 0 385.471 4.038 20 30 GIEDRN N#Cc1cccc(COc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000055590459 822983025 /nfs/dbraw/zinc/98/30/25/822983025.db2.gz AVKDFBMVKDODPD-UHFFFAOYSA-N 0 0 382.416 4.077 20 30 GIEDRN C=C(C)[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000186938345 822983671 /nfs/dbraw/zinc/98/36/71/822983671.db2.gz XKOLZBSAUQUFPT-IBGZPJMESA-N 0 0 376.403 4.099 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175507378 822985847 /nfs/dbraw/zinc/98/58/47/822985847.db2.gz RCBDNFUIBVCMSS-UHFFFAOYSA-N 0 0 380.398 4.075 20 30 GIEDRN C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000458357468 822986423 /nfs/dbraw/zinc/98/64/23/822986423.db2.gz PJAUSFXXJIWTAW-AWEZNQCLSA-N 0 0 385.870 4.445 20 30 GIEDRN C=C(C)COc1cccc(NC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000186968152 822989154 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823838517 /nfs/dbraw/zinc/83/85/17/823838517.db2.gz OBKWDJLNUMCPCD-UHFFFAOYSA-N 0 0 398.513 4.309 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000064533847 823838848 /nfs/dbraw/zinc/83/88/48/823838848.db2.gz IGBNSQOHLOBXFL-UHFFFAOYSA-N 0 0 392.484 4.100 20 30 GIEDRN CN(C)c1nc2cc(NC(=O)Nc3cccc(OCCCC#N)c3)ccc2o1 ZINC000165199253 823839533 /nfs/dbraw/zinc/83/95/33/823839533.db2.gz LTCNWUGQHYCGNX-UHFFFAOYSA-N 0 0 379.420 4.220 20 30 GIEDRN N#CC1(CS(=O)(=O)N[C@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000165241445 823841180 /nfs/dbraw/zinc/84/11/80/823841180.db2.gz MVKCVLDOSJORPP-OAQYLSRUSA-N 0 0 376.481 4.152 20 30 GIEDRN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000462142020 823842785 /nfs/dbraw/zinc/84/27/85/823842785.db2.gz MPETYKOQGDGZKY-HXUWFJFHSA-N 0 0 382.508 4.409 20 30 GIEDRN N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000126338504 823843249 /nfs/dbraw/zinc/84/32/49/823843249.db2.gz ITMNTTXVVBPPFT-INIZCTEOSA-N 0 0 387.405 4.223 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000413822817 823845142 /nfs/dbraw/zinc/84/51/42/823845142.db2.gz LMBLPPYCEQPFNZ-JOCHJYFZSA-N 0 0 393.531 4.107 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000413831265 823847396 /nfs/dbraw/zinc/84/73/96/823847396.db2.gz ZBCQYJJMUHUAFP-NRFANRHFSA-N 0 0 377.488 4.232 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000413832646 823847418 /nfs/dbraw/zinc/84/74/18/823847418.db2.gz JILLPQAOBHXQSD-PKTZIBPZSA-N 0 0 378.516 4.422 20 30 GIEDRN Cc1sc(CCNC(=O)[C@@H](C)c2cccc(C#N)c2)nc1-c1ccccc1 ZINC000462156769 823847549 /nfs/dbraw/zinc/84/75/49/823847549.db2.gz QVKSTBBHANURAO-HNNXBMFYSA-N 0 0 375.497 4.453 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2noc(C(C)C)n2)CC1 ZINC000413833021 823847843 /nfs/dbraw/zinc/84/78/43/823847843.db2.gz JTEQXXQUNIFMEW-LJQANCHMSA-N 0 0 382.508 4.269 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413840713 823849160 /nfs/dbraw/zinc/84/91/60/823849160.db2.gz WZOOIZPSLHGHCQ-UNMCSNQZSA-N 0 0 375.472 4.068 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000413840096 823849254 /nfs/dbraw/zinc/84/92/54/823849254.db2.gz VAEBOGCQCLHPDK-RDJZCZTQSA-N 0 0 388.537 4.213 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000413841827 823849442 /nfs/dbraw/zinc/84/94/42/823849442.db2.gz XJOAQKJGHXPSAP-MOPGFXCFSA-N 0 0 397.485 4.090 20 30 GIEDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000126365618 823849536 /nfs/dbraw/zinc/84/95/36/823849536.db2.gz OMXBGCRVCIVVGA-OAHLLOKOSA-N 0 0 386.521 4.228 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000064606440 823851581 /nfs/dbraw/zinc/85/15/81/823851581.db2.gz AXJJZCHUDTYVJB-UHFFFAOYSA-N 0 0 392.883 4.354 20 30 GIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC000574890623 823852441 /nfs/dbraw/zinc/85/24/41/823852441.db2.gz KDZQBIKGBBUMSO-HXUWFJFHSA-N 0 0 376.508 4.213 20 30 GIEDRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OCCCC#N ZINC000064613180 823852477 /nfs/dbraw/zinc/85/24/77/823852477.db2.gz QJQQDJSQWVQTEM-NRFANRHFSA-N 0 0 377.444 4.107 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2ccc(OC(F)F)cc2)cc1C(F)(F)F ZINC000462170757 823852589 /nfs/dbraw/zinc/85/25/89/823852589.db2.gz MKYMRWCOUTUKAF-UHFFFAOYSA-N 0 0 385.292 4.229 20 30 GIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@@H](C)c1ccccc1Cl ZINC000126387655 823853971 /nfs/dbraw/zinc/85/39/71/823853971.db2.gz VQYPLTDJWFIRNK-AWEZNQCLSA-N 0 0 382.851 4.108 20 30 GIEDRN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCc4c(F)cccc43)CC2)c(F)c1 ZINC000574898889 823856114 /nfs/dbraw/zinc/85/61/14/823856114.db2.gz MXVRDEXQPPAXOG-OAQYLSRUSA-N 0 0 395.453 4.247 20 30 GIEDRN N#Cc1ccc(CN2CCN(c3nc(-c4ccccc4F)cs3)CC2)cc1 ZINC000574920927 823860899 /nfs/dbraw/zinc/86/08/99/823860899.db2.gz DVFGVUWGUFYIJB-UHFFFAOYSA-N 0 0 378.476 4.143 20 30 GIEDRN N#Cc1ccccc1NC(=O)CCCC(=O)NCCCc1cccc(Cl)c1 ZINC000192103899 823861064 /nfs/dbraw/zinc/86/10/64/823861064.db2.gz 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ZINC000462213751 823875117 /nfs/dbraw/zinc/87/51/17/823875117.db2.gz LQWCGCKJMPAXJI-INIZCTEOSA-N 0 0 378.472 4.308 20 30 GIEDRN COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(C#N)c(C)c2)cc1OC ZINC000574988729 823880334 /nfs/dbraw/zinc/88/03/34/823880334.db2.gz NJCXBXKCDKUGBA-OAHLLOKOSA-N 0 0 384.501 4.023 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000413979491 823882501 /nfs/dbraw/zinc/88/25/01/823882501.db2.gz BGEWKMSELYHDPN-FQEVSTJZSA-N 0 0 392.499 4.034 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1COC1CCOCC1 ZINC000413980790 823882731 /nfs/dbraw/zinc/88/27/31/823882731.db2.gz CXYDZXLGAFOAHU-OAQYLSRUSA-N 0 0 379.500 4.299 20 30 GIEDRN CCCCOc1ncccc1CNC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000064769003 823883269 /nfs/dbraw/zinc/88/32/69/823883269.db2.gz VHKRYHVCGLRNJR-UHFFFAOYSA-N 0 0 380.492 4.254 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000413988486 823884166 /nfs/dbraw/zinc/88/41/66/823884166.db2.gz PEHJLZVEKJKRLT-JOCHJYFZSA-N 0 0 391.515 4.234 20 30 GIEDRN C=CCn1c(S[C@@H](C)c2cn(-c3ccccc3)nn2)nnc1-c1ccco1 ZINC000126506277 823886553 /nfs/dbraw/zinc/88/65/53/823886553.db2.gz LBORPLBVVFBWJX-AWEZNQCLSA-N 0 0 378.461 4.158 20 30 GIEDRN Cc1ccc(C[C@@H](C#N)Sc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000126511043 823887459 /nfs/dbraw/zinc/88/74/59/823887459.db2.gz RVROMQYDVRWJTO-IBGZPJMESA-N 0 0 385.496 4.410 20 30 GIEDRN C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1 ZINC000414028480 823892303 /nfs/dbraw/zinc/89/23/03/823892303.db2.gz CMAHQLDUVNTIBY-IBGZPJMESA-N 0 0 386.517 4.062 20 30 GIEDRN N#CCCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000462243367 823892825 /nfs/dbraw/zinc/89/28/25/823892825.db2.gz BZQORVUKUXEADI-QFIPXVFZSA-N 0 0 381.907 4.267 20 30 GIEDRN Cc1ccc(-c2noc([C@H](C)NC(=O)[C@H](C)c3cccc(C#N)c3)n2)cc1F ZINC000462246912 823895614 /nfs/dbraw/zinc/89/56/14/823895614.db2.gz MYOJMOIUNGHDAG-KGLIPLIRSA-N 0 0 378.407 4.037 20 30 GIEDRN Cc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000575035561 823896249 /nfs/dbraw/zinc/89/62/49/823896249.db2.gz XMJQPSOZLMHGBU-UHFFFAOYSA-N 0 0 388.427 4.371 20 30 GIEDRN N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)c1 ZINC000575047691 823898820 /nfs/dbraw/zinc/89/88/20/823898820.db2.gz QAPHJFNTLSGFGJ-KRWDZBQOSA-N 0 0 391.462 4.327 20 30 GIEDRN C[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)c1cccc(C#N)c1 ZINC000462252545 823899462 /nfs/dbraw/zinc/89/94/62/823899462.db2.gz BONDBPBLJMMIGU-QGZVFWFLSA-N 0 0 375.472 4.173 20 30 GIEDRN C=C[C@H](CC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1)c1ccccc1 ZINC000126565128 823900168 /nfs/dbraw/zinc/90/01/68/823900168.db2.gz TUPAODDYMTTYQX-LJQANCHMSA-N 0 0 377.488 4.031 20 30 GIEDRN N#Cc1ccc(OCc2nnc(N3CCCCCC3)n2Cc2ccccc2)cc1 ZINC000575052017 823900405 /nfs/dbraw/zinc/90/04/05/823900405.db2.gz NTKAMNWZZPZCFS-UHFFFAOYSA-N 0 0 387.487 4.157 20 30 GIEDRN COc1cc(Br)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000462261346 823903840 /nfs/dbraw/zinc/90/38/40/823903840.db2.gz WHUXHRRGEOTQIL-NSHDSACASA-N 0 0 389.249 4.080 20 30 GIEDRN N#C[C@@H](C(=O)CCc1ccc(F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126585410 823905871 /nfs/dbraw/zinc/90/58/71/823905871.db2.gz QGHKQCXQQPRGID-INIZCTEOSA-N 0 0 392.402 4.421 20 30 GIEDRN O=C(/C=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cc2c(s1)SCC(=O)N2 ZINC000126586932 823905907 /nfs/dbraw/zinc/90/59/07/823905907.db2.gz JPXBBQHFJMXYDO-DUXPYHPUSA-N 0 0 380.834 4.250 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000192216049 823905963 /nfs/dbraw/zinc/90/59/63/823905963.db2.gz ADIDRYCHMBMVTH-LLVKDONJSA-N 0 0 383.399 4.341 20 30 GIEDRN CC(=O)N(c1nc(/C=C(\C)c2nc3ccccc3n2CC#N)cs1)C1CC1 ZINC000414086685 823906074 /nfs/dbraw/zinc/90/60/74/823906074.db2.gz ZTZZDGYPIXTJCP-ACCUITESSA-N 0 0 377.473 4.092 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000192216682 823906407 /nfs/dbraw/zinc/90/64/07/823906407.db2.gz UFXWZKYEDJCWTB-MGPUTAFESA-N 0 0 375.538 4.391 20 30 GIEDRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462271576 823908206 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C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccccc1 ZINC000003544873 817482062 /nfs/dbraw/zinc/48/20/62/817482062.db2.gz OEWWGTHXHYTJMJ-INIZCTEOSA-N 0 0 390.512 4.201 20 30 GIEDRN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N(CC#N)C2CCCC2)c1 ZINC000121867754 823266826 /nfs/dbraw/zinc/26/68/26/823266826.db2.gz WEEKPVUMFQEFRV-UHFFFAOYSA-N 0 0 376.888 4.168 20 30 GIEDRN CC[C@H](C#N)Oc1cc(CNC(=O)C/C=C/c2cccc(F)c2)ccc1OC ZINC000176685228 823267365 /nfs/dbraw/zinc/26/73/65/823267365.db2.gz PHPGYBCPGJQQNL-WSSFADSRSA-N 0 0 382.435 4.235 20 30 GIEDRN CC[C@@H](C#N)Oc1cc(CNC(=O)C/C=C/c2cccc(F)c2)ccc1OC ZINC000176685219 823267445 /nfs/dbraw/zinc/26/74/45/823267445.db2.gz PHPGYBCPGJQQNL-XZXOBPBMSA-N 0 0 382.435 4.235 20 30 GIEDRN CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](CC)Oc2ccccc2C)ccc1OC ZINC000176685364 823267463 /nfs/dbraw/zinc/26/74/63/823267463.db2.gz GGCUGWFZTUMIIG-RTBURBONSA-N 0 0 396.487 4.158 20 30 GIEDRN Cc1c(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000121874228 823267742 /nfs/dbraw/zinc/26/77/42/823267742.db2.gz QZNULSYNWLKMCY-CQSZACIVSA-N 0 0 378.215 4.134 20 30 GIEDRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1cc(C#N)cn1C ZINC000176693262 823269264 /nfs/dbraw/zinc/26/92/64/823269264.db2.gz RMLMOXNVULXHLE-KBPBESRZSA-N 0 0 398.894 4.206 20 30 GIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc(Cl)s2)c1 ZINC000004242401 817511204 /nfs/dbraw/zinc/51/12/04/817511204.db2.gz FJWVEQPVLOYLBD-UHFFFAOYSA-N 0 0 376.865 4.122 20 30 GIEDRN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1cccc(C#N)c1 ZINC000004287509 817517717 /nfs/dbraw/zinc/51/77/17/817517717.db2.gz VLOIYYKIMRIZOG-LBPRGKRZSA-N 0 0 397.891 4.126 20 30 GIEDRN C=CCCCN(C)C(=O)C(=O)N(CCc1ccccc1)Cc1ccc(C)s1 ZINC000459874677 823269451 /nfs/dbraw/zinc/26/94/51/823269451.db2.gz UPWAHJUOQRNBMS-UHFFFAOYSA-N 0 0 384.545 4.052 20 30 GIEDRN N#Cc1cccc(NC(=O)COC(=O)CCCSc2ccc(Cl)cc2)c1 ZINC000004329201 817521595 /nfs/dbraw/zinc/52/15/95/817521595.db2.gz PHVQFZZSPIRNHP-UHFFFAOYSA-N 0 0 388.876 4.266 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-c3csnn3)cc2)c1C#N ZINC000057241511 823269452 /nfs/dbraw/zinc/26/94/52/823269452.db2.gz PCFDWXAFNLAOQU-UHFFFAOYSA-N 0 0 393.497 4.323 20 30 GIEDRN N#CCCn1cc(C(=O)COC(=O)C=Cc2ccccc2F)c2ccccc21 ZINC000004541672 817531008 /nfs/dbraw/zinc/53/10/08/817531008.db2.gz ICUFIYRYCQMVQJ-ZHACJKMWSA-N 0 0 376.387 4.133 20 30 GIEDRN CC[C@@](C)(C#N)C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000572024533 823270666 /nfs/dbraw/zinc/27/06/66/823270666.db2.gz FYKYVMRJXXLYSF-AWEZNQCLSA-N 0 0 398.303 4.447 20 30 GIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3cnc4cnccc4c3)cc2)c1 ZINC000409642986 823271355 /nfs/dbraw/zinc/27/13/55/823271355.db2.gz AOSSEJRMRIRFBK-UHFFFAOYSA-N 0 0 380.407 4.333 20 30 GIEDRN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000005155934 817555886 /nfs/dbraw/zinc/55/58/86/817555886.db2.gz XAHXNLAMVZLDDB-UXBLZVDNSA-N 0 0 384.284 4.140 20 30 GIEDRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1SCC#N ZINC000005175169 817557359 /nfs/dbraw/zinc/55/73/59/817557359.db2.gz PRAUMODMYFXDKV-UHFFFAOYSA-N 0 0 394.525 4.434 20 30 GIEDRN N#CCc1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000572031637 823271816 /nfs/dbraw/zinc/27/18/16/823271816.db2.gz NNILUAWUSIEITK-JOCHJYFZSA-N 0 0 393.512 4.291 20 30 GIEDRN CC(C)n1cnc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)c1 ZINC000409644683 823271888 /nfs/dbraw/zinc/27/18/88/823271888.db2.gz KVOBWIVHEXMBIF-UHFFFAOYSA-N 0 0 378.407 4.306 20 30 GIEDRN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000005242776 817564627 /nfs/dbraw/zinc/56/46/27/817564627.db2.gz YBARWKSAIXAKCL-JOCHJYFZSA-N 0 0 390.512 4.443 20 30 GIEDRN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000005240197 817564705 /nfs/dbraw/zinc/56/47/05/817564705.db2.gz SQWFUFUCRLAULO-UHFFFAOYSA-N 0 0 390.823 4.311 20 30 GIEDRN N#Cc1nc(N2CCc3cc(Br)ccc3C2)ccc1C(F)(F)F ZINC000409646221 823272643 /nfs/dbraw/zinc/27/26/43/823272643.db2.gz ULRRVSMEXIJJJB-UHFFFAOYSA-N 0 0 382.183 4.297 20 30 GIEDRN Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)[nH]c1Cc1ccccc1 ZINC000005312656 817573049 /nfs/dbraw/zinc/57/30/49/817573049.db2.gz LIZYOVBLBZMCHW-UHFFFAOYSA-N 0 0 382.533 4.086 20 30 GIEDRN Cc1csc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)c1C#N ZINC000572041411 823272930 /nfs/dbraw/zinc/27/29/30/823272930.db2.gz MMJJEZIQUTYCJK-NSHDSACASA-N 0 0 379.279 4.405 20 30 GIEDRN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cccc2C)cc1OC ZINC000005429422 817582729 /nfs/dbraw/zinc/58/27/29/817582729.db2.gz HPRKNYJMARMYAR-ZRDIBKRKSA-N 0 0 395.455 4.072 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176707098 823273460 /nfs/dbraw/zinc/27/34/60/823273460.db2.gz LFGWMPDWMRCWHM-VNDWYCCKSA-N 0 0 376.478 4.490 20 30 GIEDRN CCCc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000121903884 823273709 /nfs/dbraw/zinc/27/37/09/823273709.db2.gz CFDHGIJPMWOPBG-NSHDSACASA-N 0 0 390.534 4.343 20 30 GIEDRN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121904418 823273879 /nfs/dbraw/zinc/27/38/79/823273879.db2.gz LSIQTYGNMVIMKS-KSFYIVLOSA-N 0 0 399.922 4.036 20 30 GIEDRN N#Cc1cscc1C(=O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000459946674 823273903 /nfs/dbraw/zinc/27/39/03/823273903.db2.gz MTWIEYYKIHQOQY-UHFFFAOYSA-N 0 0 379.254 4.326 20 30 GIEDRN C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000005506793 817590180 /nfs/dbraw/zinc/59/01/80/817590180.db2.gz OBCNMINVPSRJLG-HNNXBMFYSA-N 0 0 398.418 4.366 20 30 GIEDRN CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000572048040 823274024 /nfs/dbraw/zinc/27/40/24/823274024.db2.gz FXLLNBLHZJBWGQ-UHFFFAOYSA-N 0 0 379.504 4.214 20 30 GIEDRN C=CCn1c(SCC(=O)NCCC)nnc1-c1ccc(Cl)cc1Cl ZINC000005535809 817592993 /nfs/dbraw/zinc/59/29/93/817592993.db2.gz VBGHDHBIQORRHC-UHFFFAOYSA-N 0 0 385.320 4.056 20 30 GIEDRN C=C(C)CN(CC)C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000005624030 817601529 /nfs/dbraw/zinc/60/15/29/817601529.db2.gz AFARSSRSNFQFQB-UHFFFAOYSA-N 0 0 376.551 4.415 20 30 GIEDRN Cc1cc(C(=O)CSc2nc(C)cc(C)c2C#N)c(C)n1-c1nccs1 ZINC000005643347 817603286 /nfs/dbraw/zinc/60/32/86/817603286.db2.gz YHMNCRASJCTBAY-UHFFFAOYSA-N 0 0 382.514 4.409 20 30 GIEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000121927229 823278495 /nfs/dbraw/zinc/27/84/95/823278495.db2.gz ZKQBUIMJEFXQSU-IEBWSBKVSA-N 0 0 377.469 4.219 20 30 GIEDRN C[C@@H](Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1ccccc1C#N ZINC000188642300 823279051 /nfs/dbraw/zinc/27/90/51/823279051.db2.gz MBKVVSFHMXDNIG-CYBMUJFWSA-N 0 0 399.376 4.202 20 30 GIEDRN C[C@@H](OC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C#N ZINC000005873250 817627104 /nfs/dbraw/zinc/62/71/04/817627104.db2.gz DANRCDWHIJCZJE-CHWSQXEVSA-N 0 0 388.876 4.263 20 30 GIEDRN COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000005880254 817627857 /nfs/dbraw/zinc/62/78/57/817627857.db2.gz NNWXKDCJIJEAHH-UHFFFAOYSA-N 0 0 377.263 4.132 20 30 GIEDRN COC(=O)[C@H](Cc1ccc(C)cc1)Sc1ccc(C(F)(F)F)c(C#N)n1 ZINC000409673046 823279895 /nfs/dbraw/zinc/27/98/95/823279895.db2.gz WSEUGECDVRYNHM-HNNXBMFYSA-N 0 0 380.391 4.157 20 30 GIEDRN C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000188647639 823279902 /nfs/dbraw/zinc/27/99/02/823279902.db2.gz YCMYVKVWDCMLDZ-HNNXBMFYSA-N 0 0 379.460 4.230 20 30 GIEDRN COC(=O)[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(C#N)c1 ZINC000176715229 823275526 /nfs/dbraw/zinc/27/55/26/823275526.db2.gz FQUMTSCCTMYTPE-HXUWFJFHSA-N 0 0 378.428 4.316 20 30 GIEDRN COC(=O)[C@H](NCc1ccc(COc2ccccc2)cc1)c1cccc(C#N)c1 ZINC000176717572 823276150 /nfs/dbraw/zinc/27/61/50/823276150.db2.gz RRRGXJYSXSSICW-HSZRJFAPSA-N 0 0 386.451 4.141 20 30 GIEDRN CCCc1nnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 ZINC000121915088 823276196 /nfs/dbraw/zinc/27/61/96/823276196.db2.gz KIQQTADABWINJJ-LBPRGKRZSA-N 0 0 376.507 4.005 20 30 GIEDRN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1ccc(F)cc1 ZINC000006096932 817651956 /nfs/dbraw/zinc/65/19/56/817651956.db2.gz UTZDUAWGCFQDNW-UHFFFAOYSA-N 0 0 383.448 4.349 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000006096189 817652014 /nfs/dbraw/zinc/65/20/14/817652014.db2.gz OJEPHVLRPOGALY-CQSZACIVSA-N 0 0 382.464 4.390 20 30 GIEDRN CCOC1CC(CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000188634530 823277268 /nfs/dbraw/zinc/27/72/68/823277268.db2.gz LJZJGUNSBXFFMG-UHFFFAOYSA-N 0 0 378.472 4.475 20 30 GIEDRN COc1cc(C(=O)/C=C/c2ccccc2Br)cc(OC)c1OC ZINC000006229753 817669618 /nfs/dbraw/zinc/66/96/18/817669618.db2.gz OVXPLUUPCYQZHJ-CMDGGOBGSA-N 0 0 377.234 4.371 20 30 GIEDRN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)cc1 ZINC000572070118 823277762 /nfs/dbraw/zinc/27/77/62/823277762.db2.gz XSTZHKVCMCJYDN-KAOXLYBCSA-N 0 0 389.499 4.164 20 30 GIEDRN CCCn1c(SCCCCC#N)nc2ccc(Br)cc2c1=O ZINC000121924876 823277930 /nfs/dbraw/zinc/27/79/30/823277930.db2.gz IOBKGJCYKJTBFZ-UHFFFAOYSA-N 0 0 380.311 4.355 20 30 GIEDRN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000006432332 817692004 /nfs/dbraw/zinc/69/20/04/817692004.db2.gz LCCHFTNEYMIXKI-ZHACJKMWSA-N 0 0 384.284 4.140 20 30 GIEDRN C[C@@H](OC(=O)[C@@H](C)Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000006466673 817695919 /nfs/dbraw/zinc/69/59/19/817695919.db2.gz LKFIBXBWIQIUET-HZPDHXFCSA-N 0 0 388.423 4.049 20 30 GIEDRN CC1(C)CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)O1 ZINC000188662676 823282160 /nfs/dbraw/zinc/28/21/60/823282160.db2.gz WXELKGNANTVQGM-HXUWFJFHSA-N 0 0 393.487 4.411 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(CC(C)C)nc1C(F)F ZINC000460062482 823282772 /nfs/dbraw/zinc/28/27/72/823282772.db2.gz MNWUJWCQQYZNHQ-UHFFFAOYSA-N 0 0 392.406 4.213 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)c2ccc(CC)cc2)nnc1-c1ccncc1 ZINC000006907730 817723338 /nfs/dbraw/zinc/72/33/38/817723338.db2.gz YSZCKKTVGMQZHV-OAHLLOKOSA-N 0 0 378.501 4.452 20 30 GIEDRN C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000006909080 817723389 /nfs/dbraw/zinc/72/33/89/817723389.db2.gz MIMPYZLXTDKDEI-LJQANCHMSA-N 0 0 394.500 4.253 20 30 GIEDRN CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC000572101378 823283591 /nfs/dbraw/zinc/28/35/91/823283591.db2.gz NTJUPGGTBCPOFD-UHFFFAOYSA-N 0 0 386.503 4.073 20 30 GIEDRN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409690367 823283858 /nfs/dbraw/zinc/28/38/58/823283858.db2.gz SUKDPTAEASQMKM-AWEZNQCLSA-N 0 0 398.388 4.124 20 30 GIEDRN Cc1ccc(-n2ccnc2SCC(=O)N(CC#N)c2ccccc2)cc1C ZINC000006979236 817733191 /nfs/dbraw/zinc/73/31/91/817733191.db2.gz WRWFWPKQTNQRIC-UHFFFAOYSA-N 0 0 376.485 4.138 20 30 GIEDRN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cscc1C#N ZINC000460085164 823284120 /nfs/dbraw/zinc/28/41/20/823284120.db2.gz IYPRPHUQRIZSNS-OAHLLOKOSA-N 0 0 391.290 4.368 20 30 GIEDRN COc1cc(C#N)ccc1OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000007017167 817738534 /nfs/dbraw/zinc/73/85/34/817738534.db2.gz NZMNVFJALWACPT-UHFFFAOYSA-N 0 0 393.468 4.092 20 30 GIEDRN N#Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1C#N ZINC000460100397 823284441 /nfs/dbraw/zinc/28/44/41/823284441.db2.gz DNCDRPRTIOOLLR-QHCPKHFHSA-N 0 0 378.435 4.172 20 30 GIEDRN 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Cc1cc(NC(=O)[C@@H](C)N(C)Cc2cccc(C#N)c2)ccc1Br ZINC000026330403 820085133 /nfs/dbraw/zinc/08/51/33/820085133.db2.gz SKJHDPRPACKZOV-CQSZACIVSA-N 0 0 386.293 4.088 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000123038457 823451753 /nfs/dbraw/zinc/45/17/53/823451753.db2.gz KUNMYYQKPTZBLH-QUCCMNQESA-N 0 0 378.497 4.397 20 30 GIEDRN N#Cc1cccc(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000026368415 820090637 /nfs/dbraw/zinc/09/06/37/820090637.db2.gz CHBQFOKQJKQUPR-UHFFFAOYSA-N 0 0 384.848 4.383 20 30 GIEDRN C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)Cc1ccon1 ZINC000573142372 823454483 /nfs/dbraw/zinc/45/44/83/823454483.db2.gz SFTRRQFPPOORSA-MRXNPFEDSA-N 0 0 389.459 4.382 20 30 GIEDRN C[C@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000123055637 823454580 /nfs/dbraw/zinc/45/45/80/823454580.db2.gz ODHWXHMVMUEJAW-LLVKDONJSA-N 0 0 392.242 4.143 20 30 GIEDRN C=CCn1c(C2CC2)nnc1N(Cc1csc(Br)c1)C1CC1 ZINC000573142503 823454560 /nfs/dbraw/zinc/45/45/60/823454560.db2.gz YOXAXTKWRAHMIZ-UHFFFAOYSA-N 0 0 379.327 4.335 20 30 GIEDRN Cc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c(C)c1 ZINC000026640254 820126358 /nfs/dbraw/zinc/12/63/58/820126358.db2.gz YESLDFVILDPGLL-SFHVURJKSA-N 0 0 389.499 4.097 20 30 GIEDRN Cc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c(C)c1 ZINC000026640248 820126529 /nfs/dbraw/zinc/12/65/29/820126529.db2.gz YESLDFVILDPGLL-GOSISDBHSA-N 0 0 389.499 4.097 20 30 GIEDRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)ccc1C#N ZINC000460611137 823455539 /nfs/dbraw/zinc/45/55/39/823455539.db2.gz CQIFPMKEDUYNEB-UHFFFAOYSA-N 0 0 399.472 4.153 20 30 GIEDRN N#Cc1ccccc1Sc1ccccc1C(=O)NCCc1cn2ccccc2n1 ZINC000026747563 820139246 /nfs/dbraw/zinc/13/92/46/820139246.db2.gz DLVPDVUQJLVLQU-UHFFFAOYSA-N 0 0 398.491 4.330 20 30 GIEDRN COc1cnccc1[C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000189601956 823455854 /nfs/dbraw/zinc/45/58/54/823455854.db2.gz GIMBWESNJSYNFF-MRXNPFEDSA-N 0 0 387.439 4.032 20 30 GIEDRN COc1cnccc1[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000189601939 823455911 /nfs/dbraw/zinc/45/59/11/823455911.db2.gz GIMBWESNJSYNFF-INIZCTEOSA-N 0 0 387.439 4.032 20 30 GIEDRN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000026759728 820140506 /nfs/dbraw/zinc/14/05/06/820140506.db2.gz USYVTIRBMSETKB-JTQLQIEISA-N 0 0 399.545 4.032 20 30 GIEDRN COc1ccc(/C=C(/C(=O)Nc2cccnc2)C(=O)c2ccccc2)cc1F ZINC000026763190 820140941 /nfs/dbraw/zinc/14/09/41/820140941.db2.gz OWJDGDKXJPNXQZ-LDADJPATSA-N 0 0 376.387 4.134 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)N2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000026793342 820145770 /nfs/dbraw/zinc/14/57/70/820145770.db2.gz TWNSVPKDSJRINM-AWEZNQCLSA-N 0 0 390.940 4.278 20 30 GIEDRN C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000410303207 823456758 /nfs/dbraw/zinc/45/67/58/823456758.db2.gz PVNOKVCGWHLSME-CABCVRRESA-N 0 0 377.469 4.326 20 30 GIEDRN N#CCCCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000058812117 823456990 /nfs/dbraw/zinc/45/69/90/823456990.db2.gz WLYZUPPPJBNDFI-NRFANRHFSA-N 0 0 395.528 4.098 20 30 GIEDRN N#Cc1ccccc1N1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000177422170 823458914 /nfs/dbraw/zinc/45/89/14/823458914.db2.gz GZVLSZRKGVANKD-UHFFFAOYSA-N 0 0 390.874 4.112 20 30 GIEDRN C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000027075321 820190282 /nfs/dbraw/zinc/19/02/82/820190282.db2.gz HMGNOOWBVQKNNX-GFCCVEGCSA-N 0 0 386.427 4.269 20 30 GIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000177437948 823461905 /nfs/dbraw/zinc/46/19/05/823461905.db2.gz RGMNYQROZCHHMD-UHFFFAOYSA-N 0 0 378.350 4.079 20 30 GIEDRN Cc1nc(SCC(=O)N2CCOc3ccc(Cl)cc32)c(C#N)c(C)c1C ZINC000460632990 823461930 /nfs/dbraw/zinc/46/19/30/823461930.db2.gz XXNXZKPELPAAKW-UHFFFAOYSA-N 0 0 387.892 4.050 20 30 GIEDRN N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1Cl ZINC000123100242 823462462 /nfs/dbraw/zinc/46/24/62/823462462.db2.gz HEDAAEBWMNSZST-UHFFFAOYSA-N 0 0 383.604 4.131 20 30 GIEDRN C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000027394201 820238930 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20 30 GIEDRN C[C@H](OC(=O)/C=C/Sc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000027694926 820276742 /nfs/dbraw/zinc/27/67/42/820276742.db2.gz PAVRWPJGTWSPJN-NHAQELONSA-N 0 0 398.509 4.285 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000027799238 820287393 /nfs/dbraw/zinc/28/73/93/820287393.db2.gz BUGPMLDYKMJEIL-UHFFFAOYSA-N 0 0 385.442 4.327 20 30 GIEDRN C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2cc(Cl)ccc2c1=O ZINC000028007226 820304239 /nfs/dbraw/zinc/30/42/39/820304239.db2.gz LUODMTWZQMSINZ-UHFFFAOYSA-N 0 0 390.896 4.209 20 30 GIEDRN N#Cc1ccccc1OCC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000460658442 823469003 /nfs/dbraw/zinc/46/90/03/823469003.db2.gz UFOBARGVPNHUBK-UHFFFAOYSA-N 0 0 394.377 4.324 20 30 GIEDRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3[nH]nc(C4CC4)c3C#N)cc12 ZINC000573236357 823469132 /nfs/dbraw/zinc/46/91/32/823469132.db2.gz WNKXIQOTVXWQBP-UHFFFAOYSA-N 0 0 388.456 4.120 20 30 GIEDRN C=C[C@H](CO)NC(=O)N[C@@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000460666795 823471560 /nfs/dbraw/zinc/47/15/60/823471560.db2.gz GQUPKHSDGKMQLW-SMDDNHRTSA-N 0 0 384.423 4.341 20 30 GIEDRN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)c2cc(C#N)cn2C)n1 ZINC000177470064 823470156 /nfs/dbraw/zinc/47/01/56/823470156.db2.gz WWFBQVXTUNHKRD-UHFFFAOYSA-N 0 0 383.839 4.051 20 30 GIEDRN N#CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)cc1 ZINC000028436764 820336353 /nfs/dbraw/zinc/33/63/53/820336353.db2.gz YOVVEGUWSBGKTR-HXUWFJFHSA-N 0 0 397.478 4.397 20 30 GIEDRN COc1ccc2c(c1)CN(C(=O)c1ccc(C#N)c(C)n1)[C@@H](c1ccccc1)C2 ZINC000177474868 823471003 /nfs/dbraw/zinc/47/10/03/823471003.db2.gz PQVVZISOYHXNNO-HSZRJFAPSA-N 0 0 383.451 4.210 20 30 GIEDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)CCc1ccc(C#N)cc1 ZINC000028496876 820341005 /nfs/dbraw/zinc/34/10/05/820341005.db2.gz IWYMIHXIEVBRNJ-MRXNPFEDSA-N 0 0 378.472 4.186 20 30 GIEDRN C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000058931383 823471960 /nfs/dbraw/zinc/47/19/60/823471960.db2.gz BVBPVQZESSNRIH-SJKOYZFVSA-N 0 0 390.892 4.281 20 30 GIEDRN CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000028669975 820348573 /nfs/dbraw/zinc/34/85/73/820348573.db2.gz MBCKUQDXLLQQJN-KUHUBIRLSA-N 0 0 383.879 4.189 20 30 GIEDRN C[C@H]1Oc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2NC1=O ZINC000028730729 820354027 /nfs/dbraw/zinc/35/40/27/820354027.db2.gz XCQOKNPTZAIIIC-CQSZACIVSA-N 0 0 383.407 4.197 20 30 GIEDRN N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000028885207 820367088 /nfs/dbraw/zinc/36/70/88/820367088.db2.gz QZSOVJIZVSQEKV-UHFFFAOYSA-N 0 0 392.890 4.041 20 30 GIEDRN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c(F)c(F)cc(F)c1F ZINC000177495354 823476105 /nfs/dbraw/zinc/47/61/05/823476105.db2.gz GIQFSURRDGEGMH-UHFFFAOYSA-N 0 0 395.274 4.252 20 30 GIEDRN C=CCc1ccc(OCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(OC)c1 ZINC000029172627 820405446 /nfs/dbraw/zinc/40/54/46/820405446.db2.gz WLEADVQFMFZTLN-UHFFFAOYSA-N 0 0 394.446 4.008 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2Br)cc1 ZINC000029203726 820410946 /nfs/dbraw/zinc/41/09/46/820410946.db2.gz KENAICGMFZMRNG-UHFFFAOYSA-N 0 0 392.228 4.148 20 30 GIEDRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000177501684 823477626 /nfs/dbraw/zinc/47/76/26/823477626.db2.gz PYEDMKRXEHSYDE-UHFFFAOYSA-N 0 0 377.473 4.030 20 30 GIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)c1ccco1 ZINC000460685085 823478897 /nfs/dbraw/zinc/47/88/97/823478897.db2.gz AWQZTXIBBWOEKX-MRXNPFEDSA-N 0 0 379.464 4.034 20 30 GIEDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000189705850 823479226 /nfs/dbraw/zinc/47/92/26/823479226.db2.gz COHOQGDACHQYPW-UHFFFAOYSA-N 0 0 375.394 4.305 20 30 GIEDRN Cc1ccc(OCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000029451298 820457060 /nfs/dbraw/zinc/45/70/60/820457060.db2.gz IOCCMPQKCFSQKY-UHFFFAOYSA-N 0 0 387.823 4.191 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000573354837 823483434 /nfs/dbraw/zinc/48/34/34/823483434.db2.gz XFNMWYGHZJQDTE-FOIQADDNSA-N 0 0 386.442 4.308 20 30 GIEDRN CCOCCCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H](C)CC#N ZINC000460695915 823483508 /nfs/dbraw/zinc/48/35/08/823483508.db2.gz UBWQXFKBQXUNIH-CQSZACIVSA-N 0 0 395.429 4.129 20 30 GIEDRN CC(C)(C#N)CCCS(=O)(=O)c1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000177528583 823482913 /nfs/dbraw/zinc/48/29/13/823482913.db2.gz SZBDSNMXCPYYPQ-UHFFFAOYSA-N 0 0 399.438 4.216 20 30 GIEDRN O=C(CCOCC(F)(F)C(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000410385800 823482954 /nfs/dbraw/zinc/48/29/54/823482954.db2.gz CQMHKCDAJMJBNF-UHFFFAOYSA-N 0 0 395.246 4.012 20 30 GIEDRN Cc1ccc(-c2csc(NC(=O)CSc3nc(C)nc(C)c3C#N)n2)cc1 ZINC000029673391 820495578 /nfs/dbraw/zinc/49/55/78/820495578.db2.gz ZTSKTPYDOQYNOE-UHFFFAOYSA-N 0 0 395.513 4.128 20 30 GIEDRN COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)[nH]c2=O)c(SC)cc1OC ZINC000123252753 823485528 /nfs/dbraw/zinc/48/55/28/823485528.db2.gz LSWAICJLCIIIMC-GQCTYLIASA-N 0 0 399.390 4.029 20 30 GIEDRN C=CCNC(=O)Nc1ccc(N[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000029811418 820522873 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N#Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1 ZINC000180729077 821421607 /nfs/dbraw/zinc/42/16/07/821421607.db2.gz CWDZSFBUKHZWMA-KRWDZBQOSA-N 0 0 375.350 4.182 20 30 GIEDRN CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1 ZINC000180735477 821424320 /nfs/dbraw/zinc/42/43/20/821424320.db2.gz ULURFYJDXPZHPC-OAQYLSRUSA-N 0 0 389.499 4.474 20 30 GIEDRN Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ccccc2C(F)(F)F)c(C#N)c1C ZINC000043644353 821435020 /nfs/dbraw/zinc/43/50/20/821435020.db2.gz MDAXKWOWAPHWKK-GFCCVEGCSA-N 0 0 379.382 4.246 20 30 GIEDRN C=C(C)COc1cc(CN(C)Cc2cn(C)nc2C(F)(F)F)ccc1OC ZINC000180793637 821462313 /nfs/dbraw/zinc/46/23/13/821462313.db2.gz UTISMTYUQHPCOK-UHFFFAOYSA-N 0 0 383.414 4.034 20 30 GIEDRN CC(C)n1cnnc1SCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000043834770 821467722 /nfs/dbraw/zinc/46/77/22/821467722.db2.gz UORXLGZVWKTMCC-GFCCVEGCSA-N 0 0 389.550 4.038 20 30 GIEDRN N#Cc1cc(F)ccc1NC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000180832690 821486090 /nfs/dbraw/zinc/48/60/90/821486090.db2.gz KWXBKWYVAODLHO-UHFFFAOYSA-N 0 0 375.190 4.442 20 30 GIEDRN CC(C)(C)n1cc(C#N)c(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000180846309 821492178 /nfs/dbraw/zinc/49/21/78/821492178.db2.gz OCFLMADMLJQQNI-UHFFFAOYSA-N 0 0 387.415 4.164 20 30 GIEDRN O=C(NCc1nncn1-c1ccccc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000043995880 821499356 /nfs/dbraw/zinc/49/93/56/821499356.db2.gz RLGTWPQNXYVNAS-UHFFFAOYSA-N 0 0 399.479 4.050 20 30 GIEDRN COc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c(OC)c1OC ZINC000180867641 821503078 /nfs/dbraw/zinc/50/30/78/821503078.db2.gz MEJCZHQZUBGDFF-UHFFFAOYSA-N 0 0 392.459 4.102 20 30 GIEDRN CCOc1ccc(OC)cc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000180882383 821511353 /nfs/dbraw/zinc/51/13/53/821511353.db2.gz NPESHSFADBLZDK-UHFFFAOYSA-N 0 0 376.460 4.483 20 30 GIEDRN CN(C(=O)CSc1nc2cc(Cl)ccc2n1C)C1(C#N)CCCCC1 ZINC000044049312 821511666 /nfs/dbraw/zinc/51/16/66/821511666.db2.gz QHPQUDSVUGBMMT-UHFFFAOYSA-N 0 0 376.913 4.004 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1OC ZINC000044049043 821511684 /nfs/dbraw/zinc/51/16/84/821511684.db2.gz FHOAFSSQSQSENH-UHFFFAOYSA-N 0 0 377.444 4.066 20 30 GIEDRN O=C(CSC(F)(F)F)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000180884985 821513340 /nfs/dbraw/zinc/51/33/40/821513340.db2.gz AWZMQWRHBNAJCY-VIFPVBQESA-N 0 0 383.260 4.261 20 30 GIEDRN CC(C)OC(=O)NCc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000180893625 821519822 /nfs/dbraw/zinc/51/98/22/821519822.db2.gz IPUAAKQDOCQNSM-UHFFFAOYSA-N 0 0 377.444 4.129 20 30 GIEDRN C=CCn1c(SCc2nnnn2C2CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000044110943 821525307 /nfs/dbraw/zinc/52/53/07/821525307.db2.gz RPVYWTVVHCBFQS-UHFFFAOYSA-N 0 0 395.536 4.042 20 30 GIEDRN CCn1c2ccc(Cl)cc2nc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000180911511 821532276 /nfs/dbraw/zinc/53/22/76/821532276.db2.gz MLVZKDDQRNDLAR-UHFFFAOYSA-N 0 0 398.898 4.008 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000180952506 821553498 /nfs/dbraw/zinc/55/34/98/821553498.db2.gz AHHRKNRJRLTBDT-CQSZACIVSA-N 0 0 387.867 4.327 20 30 GIEDRN C=CCn1c(SCc2nnc(C3CC3)n2C2CC2)nnc1-c1ccccc1 ZINC000180955534 821554919 /nfs/dbraw/zinc/55/49/19/821554919.db2.gz PBPZIPMPOBAGHY-UHFFFAOYSA-N 0 0 378.505 4.227 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000180961889 821558409 /nfs/dbraw/zinc/55/84/09/821558409.db2.gz NXGNNAMHYLXBQI-MRXNPFEDSA-N 0 0 377.444 4.150 20 30 GIEDRN Cc1cccc(NC(=O)CN(C)Cc2ccc(C#N)cc2Br)c1C ZINC000180962710 821558479 /nfs/dbraw/zinc/55/84/79/821558479.db2.gz OWDHSWVKKZDRBZ-UHFFFAOYSA-N 0 0 386.293 4.008 20 30 GIEDRN Cc1c2nnc(C(F)(F)F)n2nc(Oc2c(F)c(F)cc(F)c2F)c1C ZINC000180962915 821559112 /nfs/dbraw/zinc/55/91/12/821559112.db2.gz IYNLUYUYLUGONU-UHFFFAOYSA-N 0 0 380.223 4.109 20 30 GIEDRN C=CCn1c(Sc2ccc([N+](=O)[O-])c(OCC)c2)nnc1-c1ccoc1C ZINC000180968603 821561749 /nfs/dbraw/zinc/56/17/49/821561749.db2.gz UENPRYGPUREIRB-UHFFFAOYSA-N 0 0 386.433 4.491 20 30 GIEDRN C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000180968902 821562448 /nfs/dbraw/zinc/56/24/48/821562448.db2.gz JYZCSNGCFTWFRW-INIZCTEOSA-N 0 0 381.476 4.290 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000044381621 821582078 /nfs/dbraw/zinc/58/20/78/821582078.db2.gz QKYMIENFFSUZNJ-UHFFFAOYSA-N 0 0 392.425 4.024 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000180996905 821582865 /nfs/dbraw/zinc/58/28/65/821582865.db2.gz OUBRVGIPCWKPLM-ROUUACIJSA-N 0 0 378.444 4.254 20 30 GIEDRN C=CCn1c(SCc2nnc(C3CC3)n2C2CC2)nnc1-c1ccccc1F ZINC000181004861 821587850 /nfs/dbraw/zinc/58/78/50/821587850.db2.gz OVSDGJIQYXYCIU-UHFFFAOYSA-N 0 0 396.495 4.366 20 30 GIEDRN CC(C)c1nc([C@H]2CCCN2Cc2ccc(C#N)cc2Br)no1 ZINC000181043384 821608559 /nfs/dbraw/zinc/60/85/59/821608559.db2.gz IXKIIZDCFADISL-OAHLLOKOSA-N 0 0 375.270 4.164 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000044574196 821612676 /nfs/dbraw/zinc/61/26/76/821612676.db2.gz CGEHGSRPFVGPJR-UHFFFAOYSA-N 0 0 382.423 4.007 20 30 GIEDRN COc1ccccc1CCNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000181056050 821612865 /nfs/dbraw/zinc/61/28/65/821612865.db2.gz QHFCSZWADBKHLR-UHFFFAOYSA-N 0 0 394.418 4.037 20 30 GIEDRN N#CCOc1cc(F)ccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000181056655 821613463 /nfs/dbraw/zinc/61/34/63/821613463.db2.gz HREXGUSUQMNVNS-UHFFFAOYSA-N 0 0 389.358 4.382 20 30 GIEDRN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cccc(CC#N)c2)cc1 ZINC000044625783 821626734 /nfs/dbraw/zinc/62/67/34/821626734.db2.gz CDXCGLXSBLPAGY-INIZCTEOSA-N 0 0 378.476 4.117 20 30 GIEDRN CCOc1ccccc1OCCCC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000044789098 821662382 /nfs/dbraw/zinc/66/23/82/821662382.db2.gz YDWZAKDBVLULIL-UHFFFAOYSA-N 0 0 391.518 4.264 20 30 GIEDRN N#CCCn1ccc(NC(=O)NCc2ccc(Sc3ccc(F)cc3)cc2)n1 ZINC000181213163 821700303 /nfs/dbraw/zinc/70/03/03/821700303.db2.gz UUGRRVUXTRRQLP-UHFFFAOYSA-N 0 0 395.463 4.409 20 30 GIEDRN CC(C)[C@H](NCc1ccc(C#N)cc1Br)c1nc(C2CC2)no1 ZINC000181233034 821710342 /nfs/dbraw/zinc/71/03/42/821710342.db2.gz YPAYWHCTMWTSPR-HNNXBMFYSA-N 0 0 375.270 4.068 20 30 GIEDRN Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C(C)C ZINC000181253414 821719704 /nfs/dbraw/zinc/71/97/04/821719704.db2.gz HKCCDXHYDHNVRL-GFCCVEGCSA-N 0 0 379.247 4.040 20 30 GIEDRN C=CCNC(=O)c1ccccc1NCc1csc(-c2ccccc2OC)n1 ZINC000181316348 821754212 /nfs/dbraw/zinc/75/42/12/821754212.db2.gz SNXFPLOJFCLNRW-UHFFFAOYSA-N 0 0 379.485 4.347 20 30 GIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000181346986 821776905 /nfs/dbraw/zinc/77/69/05/821776905.db2.gz ZBEYKDQSSZMPLY-OAHLLOKOSA-N 0 0 378.432 4.115 20 30 GIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000181347002 821777088 /nfs/dbraw/zinc/77/70/88/821777088.db2.gz ZBEYKDQSSZMPLY-HNNXBMFYSA-N 0 0 378.432 4.115 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Br)nc1C ZINC000181356478 821783925 /nfs/dbraw/zinc/78/39/25/821783925.db2.gz GZXAFWYQGXXNKN-UHFFFAOYSA-N 0 0 390.281 4.381 20 30 GIEDRN CC(C)N1CC[C@@H](NC(=O)c2cccc(CC#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369680 821792314 /nfs/dbraw/zinc/79/23/14/821792314.db2.gz FEQFGQRRBUDZLV-RTWAWAEBSA-N 0 0 399.897 4.499 20 30 GIEDRN CN(c1ccccc1)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cn1 ZINC000181391706 821801804 /nfs/dbraw/zinc/80/18/04/821801804.db2.gz HEXZKTBFTDVHMH-GOSISDBHSA-N 0 0 381.439 4.226 20 30 GIEDRN N#Cc1cc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c[nH]1 ZINC000181402161 821808216 /nfs/dbraw/zinc/80/82/16/821808216.db2.gz JOXOPVMNCLVKLK-UHFFFAOYSA-N 0 0 399.332 4.148 20 30 GIEDRN C=CCOc1c(Br)cc(CNc2nnc(C3CC3)o2)cc1OCC ZINC000181516071 821862889 /nfs/dbraw/zinc/86/28/89/821862889.db2.gz LJCKTHKGSBUVQP-UHFFFAOYSA-N 0 0 394.269 4.285 20 30 GIEDRN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000181518287 821863598 /nfs/dbraw/zinc/86/35/98/821863598.db2.gz MLUHSZLWWIXHRD-HNNXBMFYSA-N 0 0 392.484 4.180 20 30 GIEDRN N#CC1(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)cc2)CC1 ZINC000181585436 821890732 /nfs/dbraw/zinc/89/07/32/821890732.db2.gz UAIGXXHTSZTVCO-RTBURBONSA-N 0 0 384.838 4.294 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000181592273 821893791 /nfs/dbraw/zinc/89/37/91/821893791.db2.gz OOFNGSDZUFUCFG-ZDUSSCGKSA-N 0 0 378.461 4.367 20 30 GIEDRN N#Cc1ccc(SCC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000181605260 821899484 /nfs/dbraw/zinc/89/94/84/821899484.db2.gz ZIWVYMLPXVLITG-INIZCTEOSA-N 0 0 386.345 4.348 20 30 GIEDRN C=C[C@@H](CC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000181622535 821908439 /nfs/dbraw/zinc/90/84/39/821908439.db2.gz PBRBXXSXEBDDNY-INIZCTEOSA-N 0 0 379.435 4.284 20 30 GIEDRN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000181656068 821926192 /nfs/dbraw/zinc/92/61/92/821926192.db2.gz VIVSHQODTZREEO-HXUWFJFHSA-N 0 0 382.435 4.277 20 30 GIEDRN C=C(C)COc1cc(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)ccc1OC ZINC000181750117 821975910 /nfs/dbraw/zinc/97/59/10/821975910.db2.gz XOTGFWIPKLTCDF-FQEVSTJZSA-N 0 0 393.443 4.321 20 30 GIEDRN C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000181836610 822012806 /nfs/dbraw/zinc/01/28/06/822012806.db2.gz NIGZRJBKLGFDAJ-UZUQRXQVSA-N 0 0 390.508 4.402 20 30 GIEDRN C=CCc1cc(CNc2nnc(CCCc3ccccc3)o2)cc(OC)c1O ZINC000181839752 822013677 /nfs/dbraw/zinc/01/36/77/822013677.db2.gz FDOXAMPCDQUYLI-UHFFFAOYSA-N 0 0 379.460 4.300 20 30 GIEDRN C=CCOc1c(Br)cc(CN(C)Cc2cccnc2)cc1OC ZINC000182034247 822068734 /nfs/dbraw/zinc/06/87/34/822068734.db2.gz WNWYECQBIKVMSM-UHFFFAOYSA-N 0 0 377.282 4.050 20 30 GIEDRN C[C@@H](SCC(=O)Nc1ccccc1O[C@@H](C)C#N)c1nc2ccccc2[nH]1 ZINC000182043186 822071366 /nfs/dbraw/zinc/07/13/66/822071366.db2.gz KXZQWNMKYLAKJN-UONOGXRCSA-N 0 0 380.473 4.287 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000182044494 822071786 /nfs/dbraw/zinc/07/17/86/822071786.db2.gz GBGAGPDPDIGIDF-CQSZACIVSA-N 0 0 375.384 4.075 20 30 GIEDRN CSc1ncc(C(=O)Nc2ccccc2O[C@H](C)C#N)n1-c1ccc(F)cc1 ZINC000182065547 822079746 /nfs/dbraw/zinc/07/97/46/822079746.db2.gz SPTCFDHBHSRJIK-CYBMUJFWSA-N 0 0 396.447 4.276 20 30 GIEDRN COc1cc(/C=C/C(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1OC(C)C ZINC000182093593 822091114 /nfs/dbraw/zinc/09/11/14/822091114.db2.gz IGISZDGXBLQZLW-TYZQSYOASA-N 0 0 380.444 4.425 20 30 GIEDRN CCCc1c(C(=O)Nc2nc(C)c(SCC#N)s2)cnn1-c1ccccc1 ZINC000182116430 822100597 /nfs/dbraw/zinc/10/05/97/822100597.db2.gz FDJUJOXEDPZXLX-UHFFFAOYSA-N 0 0 397.529 4.458 20 30 GIEDRN C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000182145487 822116562 /nfs/dbraw/zinc/11/65/62/822116562.db2.gz PHPZCSGTTKUFKX-WLZBKEPESA-N 0 0 378.472 4.278 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000182170176 822129066 /nfs/dbraw/zinc/12/90/66/822129066.db2.gz SUQFEHXJGLUFFY-UHFFFAOYSA-N 0 0 380.492 4.252 20 30 GIEDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000182218952 822153277 /nfs/dbraw/zinc/15/32/77/822153277.db2.gz FHQOYIAZFABIQS-OXQOHEQNSA-N 0 0 387.439 4.349 20 30 GIEDRN C=CCn1c(SCc2ccc(C#N)cc2Br)nnc1C1CC1 ZINC000182222630 822153992 /nfs/dbraw/zinc/15/39/92/822153992.db2.gz ZQMSKDMVILGEBM-UHFFFAOYSA-N 0 0 375.295 4.268 20 30 GIEDRN CC1(C)CN(CC(F)(F)F)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000182234867 822159957 /nfs/dbraw/zinc/15/99/57/822159957.db2.gz YRNGYXIDZTXARO-UHFFFAOYSA-N 0 0 378.360 4.015 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182267442 822179148 /nfs/dbraw/zinc/17/91/48/822179148.db2.gz WHIWAKLDNWZSDO-CHWSQXEVSA-N 0 0 379.376 4.109 20 30 GIEDRN Cn1cc(/C=C/C(=O)c2cccc(OC(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000182277653 822183843 /nfs/dbraw/zinc/18/38/43/822183843.db2.gz DGYRFQQOFNYOMB-MDZDMXLPSA-N 0 0 379.366 4.456 20 30 GIEDRN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1C#N)[C@@H](O)Cc1ccccc1 ZINC000182358859 822214189 /nfs/dbraw/zinc/21/41/89/822214189.db2.gz OHVPQXSOBBGSFY-UTKZUKDTSA-N 0 0 386.451 4.072 20 30 GIEDRN N#CC1(c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2)CC1 ZINC000182371538 822219118 /nfs/dbraw/zinc/21/91/18/822219118.db2.gz NMZHJXVMJOBJRT-UHFFFAOYSA-N 0 0 397.482 4.479 20 30 GIEDRN CC[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(C)noc1C ZINC000182447609 822245731 /nfs/dbraw/zinc/24/57/31/822245731.db2.gz VESBBSRZFXUWIL-BBRMVZONSA-N 0 0 386.521 4.223 20 30 GIEDRN N#Cc1cccc(CNC(=O)Nc2cc(Br)c(F)cc2Cl)c1 ZINC000177988721 822271318 /nfs/dbraw/zinc/27/13/18/822271318.db2.gz VMWQIHSDMIRPRS-UHFFFAOYSA-N 0 0 382.620 4.435 20 30 GIEDRN CCOc1ccccc1Nc1nnc(SC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000177989192 822271754 /nfs/dbraw/zinc/27/17/54/822271754.db2.gz KOLRRFWPADENBL-INIZCTEOSA-N 0 0 398.513 4.378 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000182506149 822273216 /nfs/dbraw/zinc/27/32/16/822273216.db2.gz HELPOJDEKKDMNS-UHFFFAOYSA-N 0 0 399.328 4.310 20 30 GIEDRN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)CCCC(C)(C)C#N ZINC000178011047 822281229 /nfs/dbraw/zinc/28/12/29/822281229.db2.gz QYDSWKLZLADVNF-VWLOTQADSA-N 0 0 377.941 4.472 20 30 GIEDRN N#Cc1cccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)c1 ZINC000178011294 822281326 /nfs/dbraw/zinc/28/13/26/822281326.db2.gz SPDZIKHHNKECAN-UHFFFAOYSA-N 0 0 377.625 4.013 20 30 GIEDRN C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000178051871 822301295 /nfs/dbraw/zinc/30/12/95/822301295.db2.gz UEWNANFUMHQNCQ-LBPRGKRZSA-N 0 0 383.408 4.191 20 30 GIEDRN Cc1noc(C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)n1 ZINC000182559649 822302316 /nfs/dbraw/zinc/30/23/16/822302316.db2.gz XTYRUHOIZRMUNN-UHFFFAOYSA-N 0 0 388.427 4.062 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000182573078 822307810 /nfs/dbraw/zinc/30/78/10/822307810.db2.gz OLJQJKSFWZGLRK-GAJHUEQPSA-N 0 0 377.488 4.437 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 ZINC000182582280 822311543 /nfs/dbraw/zinc/31/15/43/822311543.db2.gz HSKXGOFIEVFDDH-UHFFFAOYSA-N 0 0 382.395 4.096 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182638215 822334245 /nfs/dbraw/zinc/33/42/45/822334245.db2.gz KZFVUHJAILQGID-LBPRGKRZSA-N 0 0 382.411 4.340 20 30 GIEDRN C#CCCSc1nnc(COc2ccccc2-c2ccccc2)n1CCOC ZINC000178159247 822337117 /nfs/dbraw/zinc/33/71/17/822337117.db2.gz UNNFQYPFPHVWTH-UHFFFAOYSA-N 0 0 393.512 4.286 20 30 GIEDRN CC(C)(C#N)CCCS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000178164194 822338301 /nfs/dbraw/zinc/33/83/01/822338301.db2.gz FMNRZAUIHPXLTD-UHFFFAOYSA-N 0 0 378.719 4.347 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000453412518 822359289 /nfs/dbraw/zinc/35/92/89/822359289.db2.gz IFFVEXWREXRYQA-ZWOKBUDYSA-N 0 0 384.524 4.028 20 30 GIEDRN C=CCOc1ccccc1C(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000045053115 822359846 /nfs/dbraw/zinc/35/98/46/822359846.db2.gz MBAIXMMKBNRNSF-UHFFFAOYSA-N 0 0 377.387 4.134 20 30 GIEDRN C=CCn1c(-c2ncccc2C)nnc1N1CCC[C@@H]1c1ccc(F)cc1F ZINC000453424025 822360791 /nfs/dbraw/zinc/36/07/91/822360791.db2.gz GLLIEFXADULVMG-GOSISDBHSA-N 0 0 381.430 4.454 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000453424349 822361100 /nfs/dbraw/zinc/36/11/00/822361100.db2.gz IUYWLODPQHFONB-CABCVRRESA-N 0 0 375.542 4.401 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000453425482 822361184 /nfs/dbraw/zinc/36/11/84/822361184.db2.gz MYHJRRGNUZQKOT-IBGZPJMESA-N 0 0 388.462 4.053 20 30 GIEDRN C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000453425512 822361257 /nfs/dbraw/zinc/36/12/57/822361257.db2.gz NCMJQNHEOKHROC-QFBILLFUSA-N 0 0 376.863 4.044 20 30 GIEDRN C=CCn1c(S[C@@H](C(=O)N2CCCC2)C(C)C)nnc1-c1ccc(C)cc1 ZINC000178277990 822362490 /nfs/dbraw/zinc/36/24/90/822362490.db2.gz GIZWZMXXZHULMK-GOSISDBHSA-N 0 0 384.549 4.179 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453439076 822363231 /nfs/dbraw/zinc/36/32/31/822363231.db2.gz LAXFOPPYECSHTD-CGXNFDGLSA-N 0 0 378.520 4.478 20 30 GIEDRN C=CCn1c(N2CCn3c(cc4ccc(Cl)cc43)C2)nnc1[C@@]1(C)CCCO1 ZINC000453446962 822364371 /nfs/dbraw/zinc/36/43/71/822364371.db2.gz WVJQMVYEJHVAHH-OAQYLSRUSA-N 0 0 397.910 4.118 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000453449398 822364971 /nfs/dbraw/zinc/36/49/71/822364971.db2.gz ZUJNPTUCVRNWLM-NQIIRXRSSA-N 0 0 388.462 4.228 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCCC[C@H]1COC ZINC000453458118 822367765 /nfs/dbraw/zinc/36/77/65/822367765.db2.gz YQWOGZSCCGUMOP-PCCBWWKXSA-N 0 0 396.535 4.105 20 30 GIEDRN C=CC[C@@H]1N(c2nnc([C@@H]3CCCO3)n2CCCOCC)CCCC1(C)C ZINC000453460606 822368692 /nfs/dbraw/zinc/36/86/92/822368692.db2.gz NLPVOEAUEHNYBM-ROUUACIJSA-N 0 0 376.545 4.127 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000453461056 822368851 /nfs/dbraw/zinc/36/88/51/822368851.db2.gz FPEWISRZBUXYKP-LJQANCHMSA-N 0 0 397.910 4.334 20 30 GIEDRN C=CCOc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000045188679 822369020 /nfs/dbraw/zinc/36/90/20/822369020.db2.gz ZJLNHKXYFQXQQA-UHFFFAOYSA-N 0 0 388.471 4.489 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1C(F)(F)F ZINC000453464094 822369711 /nfs/dbraw/zinc/36/97/11/822369711.db2.gz KCPXMCACATXREP-MRXNPFEDSA-N 0 0 380.414 4.361 20 30 GIEDRN C=C(C)Cn1c(N2CC[C@@](C)(c3ccc(F)cc3)C2)nnc1[C@]1(C)CCCO1 ZINC000453465239 822370109 /nfs/dbraw/zinc/37/01/09/822370109.db2.gz MDDADLZNNNBUBD-YADHBBJMSA-N 0 0 384.499 4.187 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H](NC(N)=O)c1cccc(C)c1 ZINC000045198290 822370239 /nfs/dbraw/zinc/37/02/39/822370239.db2.gz GSEQHYDNNRHVDQ-INIZCTEOSA-N 0 0 391.924 4.024 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000453465999 822370316 /nfs/dbraw/zinc/37/03/16/822370316.db2.gz OEMGJNWNOYWMIK-PXNSSMCTSA-N 0 0 392.425 4.059 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@@H](C)c2ccc(F)c(F)c2)nnc1[C@@]1(C)CCCO1 ZINC000453466519 822370514 /nfs/dbraw/zinc/37/05/14/822370514.db2.gz OGAYCCMVCNTJNA-VBKZILBWSA-N 0 0 376.451 4.355 20 30 GIEDRN N#Cc1cccc(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000045212650 822370985 /nfs/dbraw/zinc/37/09/85/822370985.db2.gz IGKKZIITJKQUOZ-UHFFFAOYSA-N 0 0 386.411 4.009 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000453468635 822371244 /nfs/dbraw/zinc/37/12/44/822371244.db2.gz VFSPIIOPTDOBOD-ICSRJNTNSA-N 0 0 384.499 4.304 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(Cc1ccccc1OC)C1CC1 ZINC000453470160 822371598 /nfs/dbraw/zinc/37/15/98/822371598.db2.gz ZXIDAGUMOUMJGU-FQEVSTJZSA-N 0 0 382.508 4.273 20 30 GIEDRN C=C(C)Cn1c(N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453471507 822372259 /nfs/dbraw/zinc/37/22/59/822372259.db2.gz UWCABCQRHALUJW-RDTXWAMCSA-N 0 0 386.462 4.295 20 30 GIEDRN C=C(C)Cn1c(N2CCC[C@@H]2c2ccc(F)cc2F)nnc1[C@@]1(C)CCCO1 ZINC000453472067 822372430 /nfs/dbraw/zinc/37/24/30/822372430.db2.gz VQOAIZLMFWAKCF-WIYYLYMNSA-N 0 0 388.462 4.500 20 30 GIEDRN C=C(C)Cn1c(N(C)Cc2ccccc2N2CCCC2)nnc1[C@@]1(C)CCCO1 ZINC000453472088 822372438 /nfs/dbraw/zinc/37/24/38/822372438.db2.gz VVJBKWIXZZDIGL-HSZRJFAPSA-N 0 0 395.551 4.116 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000045243856 822372780 /nfs/dbraw/zinc/37/27/80/822372780.db2.gz ZWYNBQVXIRMIQQ-HSZRJFAPSA-N 0 0 397.478 4.078 20 30 GIEDRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000178378149 822373033 /nfs/dbraw/zinc/37/30/33/822373033.db2.gz YWNFPQCETSKUDO-UHFFFAOYSA-N 0 0 375.428 4.232 20 30 GIEDRN N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(F)c1 ZINC000178381854 822373370 /nfs/dbraw/zinc/37/33/70/822373370.db2.gz JYLVVDKLZHWXLY-MRXNPFEDSA-N 0 0 398.507 4.122 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000178387566 822373965 /nfs/dbraw/zinc/37/39/65/822373965.db2.gz UNDRACBVMTWNMN-UHFFFAOYSA-N 0 0 377.835 4.231 20 30 GIEDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc(CC#N)c1 ZINC000178387382 822373972 /nfs/dbraw/zinc/37/39/72/822373972.db2.gz ZALPMFVMPVKPOB-LBPRGKRZSA-N 0 0 375.241 4.015 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000178387219 822374036 /nfs/dbraw/zinc/37/40/36/822374036.db2.gz NBFHLQZFLUWQIB-UHFFFAOYSA-N 0 0 390.464 4.093 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000178405277 822375818 /nfs/dbraw/zinc/37/58/18/822375818.db2.gz NSQOQWRBFYLKAP-QFIPXVFZSA-N 0 0 397.434 4.061 20 30 GIEDRN Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1Br)C1CCCC1 ZINC000178407316 822376188 /nfs/dbraw/zinc/37/61/88/822376188.db2.gz YHCYSOFRYNDTRD-UHFFFAOYSA-N 0 0 386.293 4.244 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)CC[C@@H](C)CC(=O)Nc1cccc(C#N)c1C ZINC000178406831 822376203 /nfs/dbraw/zinc/37/62/03/822376203.db2.gz YCRGVFWVVVSDSP-OAHLLOKOSA-N 0 0 388.471 4.430 20 30 GIEDRN Cc1nc(SCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(C#N)c(C)c1C ZINC000045289647 822376467 /nfs/dbraw/zinc/37/64/67/822376467.db2.gz WVPJAIYTZRYXPC-UHFFFAOYSA-N 0 0 396.516 4.204 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCCCO2)n1CC(C)C ZINC000453483753 822376603 /nfs/dbraw/zinc/37/66/03/822376603.db2.gz UZYFVTOKYRUYTC-LJQANCHMSA-N 0 0 399.495 4.277 20 30 GIEDRN CC(C)COc1ncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1Cl ZINC000182842258 822377008 /nfs/dbraw/zinc/37/70/08/822377008.db2.gz CXTJXMRZVPOSKE-AWEZNQCLSA-N 0 0 382.851 4.147 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)Nc1ccc(C(C)=O)c(Cl)c1)c1ccccc1 ZINC000182845172 822377479 /nfs/dbraw/zinc/37/74/79/822377479.db2.gz PYRCHQSIFCLYOA-IBGZPJMESA-N 0 0 384.863 4.305 20 30 GIEDRN C=CCn1c(SC[C@@H](O)COc2ccccc2F)nnc1-c1ccc(C)cc1 ZINC000178425436 822378071 /nfs/dbraw/zinc/37/80/71/822378071.db2.gz PJUOLLZDRYRJKO-KRWDZBQOSA-N 0 0 399.491 4.111 20 30 GIEDRN C=CCN(CC1CCCCC1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCO1 ZINC000453498907 822378887 /nfs/dbraw/zinc/37/88/87/822378887.db2.gz VHYJELCAZKIQFG-WOJBJXKFSA-N 0 0 388.556 4.271 20 30 GIEDRN Cn1c(SCCC(=O)Nc2cccc(C#N)c2)nnc1-c1cccc(Cl)c1 ZINC000178444892 822379637 /nfs/dbraw/zinc/37/96/37/822379637.db2.gz BVINKMBSAHANHC-UHFFFAOYSA-N 0 0 397.891 4.128 20 30 GIEDRN C=CCC[C@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000178467350 822382226 /nfs/dbraw/zinc/38/22/26/822382226.db2.gz UYBPEDPAWFPBOY-NRFANRHFSA-N 0 0 395.478 4.001 20 30 GIEDRN C=CCN(CC1CCCCC1)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCOC1 ZINC000453518873 822382425 /nfs/dbraw/zinc/38/24/25/822382425.db2.gz MXWZFBWHIUWSMJ-WOJBJXKFSA-N 0 0 388.556 4.129 20 30 GIEDRN C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CC[C@H](C)O2)n1C[C@@H]1CCOC1 ZINC000453528103 822383357 /nfs/dbraw/zinc/38/33/57/822383357.db2.gz WPUFSMQRIFHPLY-JBACZVJFSA-N 0 0 396.535 4.137 20 30 GIEDRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3cccc(C#N)c3)c12 ZINC000045406326 822385171 /nfs/dbraw/zinc/38/51/71/822385171.db2.gz UEYYEYNCTVFHGG-UHFFFAOYSA-N 0 0 386.386 4.139 20 30 GIEDRN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000453577524 822387061 /nfs/dbraw/zinc/38/70/61/822387061.db2.gz SACJSFRRYVWMCT-SFHVURJKSA-N 0 0 383.879 4.248 20 30 GIEDRN Cc1nn(-c2ccccc2)c(CSc2n[nH]c(-c3ccc(C)cc3)n2)c1C#N ZINC000045442696 822387731 /nfs/dbraw/zinc/38/77/31/822387731.db2.gz WSTFRVVMEFUTLS-UHFFFAOYSA-N 0 0 386.484 4.438 20 30 GIEDRN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000453584332 822388663 /nfs/dbraw/zinc/38/86/63/822388663.db2.gz QASYTZUSHADYFX-ZDUSSCGKSA-N 0 0 387.530 4.281 20 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ZINC000191406400 823681632 /nfs/dbraw/zinc/68/16/32/823681632.db2.gz LHMRLSIPNHVVFC-UHFFFAOYSA-N 0 0 394.431 4.159 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1-n1cccn1 ZINC000191417875 823682986 /nfs/dbraw/zinc/68/29/86/823682986.db2.gz IQCBXTSCWSGNBU-UHFFFAOYSA-N 0 0 375.476 4.441 20 30 GIEDRN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 ZINC000125543257 823684001 /nfs/dbraw/zinc/68/40/01/823684001.db2.gz ASQLLPOSHPOHNX-SFHVURJKSA-N 0 0 392.846 4.049 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000191429250 823684244 /nfs/dbraw/zinc/68/42/44/823684244.db2.gz KOEUDHSOCADTBD-SFHVURJKSA-N 0 0 381.524 4.063 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000412810194 823684532 /nfs/dbraw/zinc/68/45/32/823684532.db2.gz AFRAPNOPKKVHSD-IBGZPJMESA-N 0 0 393.462 4.420 20 30 GIEDRN Cc1ccsc1-c1nnc(N(CCC#N)CCC(C)C)n1C[C@H]1CCOC1 ZINC000461710428 823685747 /nfs/dbraw/zinc/68/57/47/823685747.db2.gz ZURYRHNETSVYFK-QGZVFWFLSA-N 0 0 387.553 4.118 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(C(=O)NC[C@H](O)c2ccco2)cc1Cl ZINC000125567015 823685914 /nfs/dbraw/zinc/68/59/14/823685914.db2.gz CLTHWGAGCCRTKS-INIZCTEOSA-N 0 0 382.803 4.060 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc2c([nH]1)c(OC)c(OC)cc2OC ZINC000412836189 823686329 /nfs/dbraw/zinc/68/63/29/823686329.db2.gz FPJDUIUVOVLUPK-INIZCTEOSA-N 0 0 394.471 4.111 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000063644503 823686404 /nfs/dbraw/zinc/68/64/04/823686404.db2.gz UPHGAHAONDPRTD-UHFFFAOYSA-N 0 0 385.467 4.273 20 30 GIEDRN N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)c1 ZINC000191450521 823686466 /nfs/dbraw/zinc/68/64/66/823686466.db2.gz SOICKMUYKPLLDZ-UHFFFAOYSA-N 0 0 381.391 4.444 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000412844755 823686865 /nfs/dbraw/zinc/68/68/65/823686865.db2.gz USAYAKHWCGSNCV-KBXCAEBGSA-N 0 0 393.453 4.469 20 30 GIEDRN CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461721725 823687417 /nfs/dbraw/zinc/68/74/17/823687417.db2.gz CLZYBKRNDQCHTB-FQEVSTJZSA-N 0 0 379.508 4.012 20 30 GIEDRN COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3OCC#N)c2c1 ZINC000125585635 823687704 /nfs/dbraw/zinc/68/77/04/823687704.db2.gz ZTAPPSBTKKSZAY-UHFFFAOYSA-N 0 0 391.402 4.415 20 30 GIEDRN N#C[C@@H](C(=O)CCOCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125598533 823688717 /nfs/dbraw/zinc/68/87/17/823688717.db2.gz BBGXJAYVQQMSDI-KRWDZBQOSA-N 0 0 391.254 4.248 20 30 GIEDRN Cc1cccc(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)c1 ZINC000461733070 823688857 /nfs/dbraw/zinc/68/88/57/823688857.db2.gz SFLBDKQQBOIKAO-NRFANRHFSA-N 0 0 387.487 4.462 20 30 GIEDRN Cc1cnc(CCN(C)C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)s1 ZINC000125617107 823690438 /nfs/dbraw/zinc/69/04/38/823690438.db2.gz BORFUZBUMODALZ-UHFFFAOYSA-N 0 0 376.485 4.382 20 30 GIEDRN N#Cc1ccc(OC2CN(C(=O)c3csc(-c4cccc(Cl)c4)n3)C2)cc1 ZINC000461742373 823690472 /nfs/dbraw/zinc/69/04/72/823690472.db2.gz XMIJWWDAASNEPF-UHFFFAOYSA-N 0 0 395.871 4.239 20 30 GIEDRN COCCN(Cc1sccc1Br)C(=O)Nc1cccc(C#N)c1 ZINC000191502296 823692269 /nfs/dbraw/zinc/69/22/69/823692269.db2.gz REUFESAAARCNQF-UHFFFAOYSA-N 0 0 394.294 4.063 20 30 GIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCC[C@H](CO)C2)c1 ZINC000412913397 823692562 /nfs/dbraw/zinc/69/25/62/823692562.db2.gz MCJRPFMZWGAIRT-HOCLYGCPSA-N 0 0 384.863 4.285 20 30 GIEDRN Cc1cnc2c(cccc2S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063765116 823694161 /nfs/dbraw/zinc/69/41/61/823694161.db2.gz CYGJVGBVSXXTJB-UHFFFAOYSA-N 0 0 379.485 4.014 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191515117 823694153 /nfs/dbraw/zinc/69/41/53/823694153.db2.gz PKEKKSHZQJVFPU-GOSISDBHSA-N 0 0 393.535 4.488 20 30 GIEDRN CCN(CC)C(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 ZINC000125659821 823694433 /nfs/dbraw/zinc/69/44/33/823694433.db2.gz MRJKUFQSKYUVQE-OAQYLSRUSA-N 0 0 393.487 4.082 20 30 GIEDRN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000412954184 823694909 /nfs/dbraw/zinc/69/49/09/823694909.db2.gz TZVJTYXXKFHOPY-WMZOPIPTSA-N 0 0 377.463 4.452 20 30 GIEDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nc(C)c(C#N)cc3Cl)C2)cc1 ZINC000461786470 823695133 /nfs/dbraw/zinc/69/51/33/823695133.db2.gz REBUZQNXOVDCCH-MRXNPFEDSA-N 0 0 397.910 4.262 20 30 GIEDRN N#Cc1ccc(SCC(=O)NC2(c3cccc(Br)c3)CC2)cc1 ZINC000125670895 823695280 /nfs/dbraw/zinc/69/52/80/823695280.db2.gz KNONJDLCWRWYFQ-UHFFFAOYSA-N 0 0 387.302 4.218 20 30 GIEDRN C[C@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(C#N)c1 ZINC000461797098 823696664 /nfs/dbraw/zinc/69/66/64/823696664.db2.gz PERINTHVKKTHSF-INIZCTEOSA-N 0 0 385.471 4.285 20 30 GIEDRN Cc1csc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)n1 ZINC000412982457 823697032 /nfs/dbraw/zinc/69/70/32/823697032.db2.gz JFJXXNAUYYIYHA-UHFFFAOYSA-N 0 0 396.497 4.198 20 30 GIEDRN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000125692428 823697232 /nfs/dbraw/zinc/69/72/32/823697232.db2.gz DUEHCGMTRQUAKT-JTQLQIEISA-N 0 0 386.780 4.195 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000063815131 823698994 /nfs/dbraw/zinc/69/89/94/823698994.db2.gz SZGKTBLIVAXQMH-UHFFFAOYSA-N 0 0 397.478 4.144 20 30 GIEDRN C=C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000125711404 823699012 /nfs/dbraw/zinc/69/90/12/823699012.db2.gz ULHMARKSHIIOPP-QGZVFWFLSA-N 0 0 380.463 4.363 20 30 GIEDRN Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCO2)cc1F ZINC000461809336 823699199 /nfs/dbraw/zinc/69/91/99/823699199.db2.gz IOSQGJWVDJBSSE-LJQANCHMSA-N 0 0 397.498 4.092 20 30 GIEDRN N#Cc1cn(CC2CCC(F)(F)CC2)c2ccc(Br)cc2c1=O ZINC000412996358 823699270 /nfs/dbraw/zinc/69/92/70/823699270.db2.gz SSOTXTFIJVCFBA-UHFFFAOYSA-N 0 0 381.220 4.461 20 30 GIEDRN C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@@H](C)C1 ZINC000461810378 823699315 /nfs/dbraw/zinc/69/93/15/823699315.db2.gz QFAQNOYDYUUSMJ-LQWHRVPQSA-N 0 0 393.535 4.258 20 30 GIEDRN C[C@@H]1C[C@H](C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 ZINC000461810380 823699320 /nfs/dbraw/zinc/69/93/20/823699320.db2.gz QFAQNOYDYUUSMJ-OPYAIIAOSA-N 0 0 393.535 4.258 20 30 GIEDRN C=CCN(CC=C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCCCO1 ZINC000461811560 823699679 /nfs/dbraw/zinc/69/96/79/823699679.db2.gz SFNYIFIBDQOKKG-FQEVSTJZSA-N 0 0 391.519 4.029 20 30 GIEDRN COc1cc(Oc2ccccc2)ccc1NC(=O)Nc1ccn(CCC#N)n1 ZINC000191560729 823699792 /nfs/dbraw/zinc/69/97/92/823699792.db2.gz XHNOHRPFIOUZDP-UHFFFAOYSA-N 0 0 377.404 4.242 20 30 GIEDRN C[C@@H](CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)(C)C ZINC000191562363 823700083 /nfs/dbraw/zinc/70/00/83/823700083.db2.gz YWWIZNOTCPTLBO-HOTGVXAUSA-N 0 0 389.565 4.455 20 30 GIEDRN CCc1c(NC(=O)NCc2cccc(C#N)c2)cnn1-c1ccccc1Cl ZINC000191569191 823701544 /nfs/dbraw/zinc/70/15/44/823701544.db2.gz LHMHPBSXGXSHHM-UHFFFAOYSA-N 0 0 379.851 4.281 20 30 GIEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N(C3CC3)C3CCCC3)cc2)c1 ZINC000163330040 823702003 /nfs/dbraw/zinc/70/20/03/823702003.db2.gz IFSZPDGFYAGOMG-UHFFFAOYSA-N 0 0 389.455 4.223 20 30 GIEDRN COc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1C#N ZINC000163333393 823702307 /nfs/dbraw/zinc/70/23/07/823702307.db2.gz NETWHWGXACAMOA-UHFFFAOYSA-N 0 0 387.468 4.047 20 30 GIEDRN C=C(C)CNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cc([O-])ccc1C ZINC000063858168 823702815 /nfs/dbraw/zinc/70/28/15/823702815.db2.gz ZGSFBAGBOUOQBS-UHFFFAOYSA-O 0 0 397.564 4.390 20 30 GIEDRN C=C(C)CNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1cc([O-])ccc1C ZINC000063858144 823702862 /nfs/dbraw/zinc/70/28/62/823702862.db2.gz CBJAOYLJKZNBMY-UHFFFAOYSA-O 0 0 397.564 4.326 20 30 GIEDRN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCSC2(CCC2)CC1 ZINC000413073155 823703427 /nfs/dbraw/zinc/70/34/27/823703427.db2.gz ODSFPTRTLNLZHU-UHFFFAOYSA-N 0 0 382.451 4.128 20 30 GIEDRN Cc1ccc(C#N)cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000063889831 823706051 /nfs/dbraw/zinc/70/60/51/823706051.db2.gz FPQXJYZJDRQPDH-GOSISDBHSA-N 0 0 390.468 4.311 20 30 GIEDRN COc1ccc(-c2cnc(CCC(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1 ZINC000063891076 823706359 /nfs/dbraw/zinc/70/63/59/823706359.db2.gz FJDFWUXKJQKKFJ-UHFFFAOYSA-N 0 0 393.468 4.343 20 30 GIEDRN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCCCO1 ZINC000461833073 823706597 /nfs/dbraw/zinc/70/65/97/823706597.db2.gz QGCMUZRXVHMJBX-UKRRQHHQSA-N 0 0 391.878 4.045 20 30 GIEDRN CCCN(C)c1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)cc1 ZINC000063891259 823706653 /nfs/dbraw/zinc/70/66/53/823706653.db2.gz QSFNQRUGEGZGDZ-UHFFFAOYSA-N 0 0 385.489 4.203 20 30 GIEDRN CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1)C1CCCCC1 ZINC000461836495 823708168 /nfs/dbraw/zinc/70/81/68/823708168.db2.gz WLSGWKKYMUWIKG-FQEVSTJZSA-N 0 0 379.508 4.155 20 30 GIEDRN C=CC[C@H]1N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCO2)CCCC1(C)C ZINC000461836739 823708210 /nfs/dbraw/zinc/70/82/10/823708210.db2.gz VLHHWXOEHMPGGR-AZUAARDMSA-N 0 0 395.551 4.480 20 30 GIEDRN N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](CO)c3ccc(F)cc3)c2)cc1 ZINC000574359719 823708365 /nfs/dbraw/zinc/70/83/65/823708365.db2.gz UBQDMGFHQKGMIL-NRFANRHFSA-N 0 0 391.402 4.345 20 30 GIEDRN CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000125780748 823709064 /nfs/dbraw/zinc/70/90/64/823709064.db2.gz BNSMKFYQWHQQCP-CTNGQTDRSA-N 0 0 395.478 4.281 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)c2c(F)cccc2F)c1C#N ZINC000125782363 823709400 /nfs/dbraw/zinc/70/94/00/823709400.db2.gz YUQSPJWSRNVKTP-GFCCVEGCSA-N 0 0 398.438 4.486 20 30 GIEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000125787021 823710355 /nfs/dbraw/zinc/71/03/55/823710355.db2.gz QEZQSZGSICRJRU-AWEZNQCLSA-N 0 0 386.411 4.396 20 30 GIEDRN COc1ccccc1CCC(=O)Nc1c(C#N)c(SC)nn1-c1ccccc1 ZINC000125790052 823711192 /nfs/dbraw/zinc/71/11/92/823711192.db2.gz VZZUQKOYWGVWOV-UHFFFAOYSA-N 0 0 392.484 4.046 20 30 GIEDRN CC(C)CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1)C1CC1 ZINC000461845556 823712977 /nfs/dbraw/zinc/71/29/77/823712977.db2.gz VNUZRRKVNSZAAK-HXUWFJFHSA-N 0 0 379.508 4.011 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc(CC2CC2)n1C[C@H]1CCCCO1 ZINC000461845436 823713020 /nfs/dbraw/zinc/71/30/20/823713020.db2.gz VSKNPDMFLDRCCK-LJQANCHMSA-N 0 0 384.499 4.131 20 30 GIEDRN N#Cc1cccc(-c2nnc(N(CC3CC3)CC3CC3)n2C[C@H]2CCCCO2)c1 ZINC000461847508 823714302 /nfs/dbraw/zinc/71/43/02/823714302.db2.gz KPSRNHXCBCVGFL-OAQYLSRUSA-N 0 0 391.519 4.012 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@H](C)Cc2ccccc2F)c1C#N ZINC000125802736 823714950 /nfs/dbraw/zinc/71/49/50/823714950.db2.gz ITGAIDLMRFGWEC-CQSZACIVSA-N 0 0 394.475 4.422 20 30 GIEDRN Cn1c(SCc2cc(C#N)ccc2Br)nnc1-c1cccs1 ZINC000191622051 823716580 /nfs/dbraw/zinc/71/65/80/823716580.db2.gz SGYXLNPBLMKJNH-UHFFFAOYSA-N 0 0 391.319 4.470 20 30 GIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063950499 823718822 /nfs/dbraw/zinc/71/88/22/823718822.db2.gz SCNNUJSNHWCTNT-INIZCTEOSA-N 0 0 385.423 4.217 20 30 GIEDRN CC(C)C[C@H](C(N)=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000413162253 823719043 /nfs/dbraw/zinc/71/90/43/823719043.db2.gz FJXNNYDXZRTISD-MSOLQXFVSA-N 0 0 383.879 4.082 20 30 GIEDRN 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CC[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)Cc1cccc(Br)c1 ZINC000461950979 823769248 /nfs/dbraw/zinc/76/92/48/823769248.db2.gz BMOCVARICSWJFA-LXZKKBNFSA-N 0 0 378.314 4.009 20 30 GIEDRN COC(=O)c1csc(-c2cccc(CNc3nc(C)c(C#N)cc3Cl)c2)n1 ZINC000461951834 823769812 /nfs/dbraw/zinc/76/98/12/823769812.db2.gz DBGCWSQJPVRAPO-UHFFFAOYSA-N 0 0 398.875 4.437 20 30 GIEDRN CN(C(=O)N[C@@H]1CCC[C@H]1C#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000461953845 823770203 /nfs/dbraw/zinc/77/02/03/823770203.db2.gz CBRULGBXNFTWAA-NILFDRSVSA-N 0 0 394.338 4.320 20 30 GIEDRN CC(C)Oc1cc(C(=O)N[C@](C)(C#N)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000413411836 823771558 /nfs/dbraw/zinc/77/15/58/823771558.db2.gz LBUZGUDHUICEQD-NRFANRHFSA-N 0 0 381.432 4.027 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191802064 823773352 /nfs/dbraw/zinc/77/33/52/823773352.db2.gz FXYZSIHYUIPRRZ-UHFFFAOYSA-N 0 0 393.428 4.492 20 30 GIEDRN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@@H]2CCC[C@H]2C#N)n1 ZINC000461964197 823774084 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/nfs/dbraw/zinc/53/25/91/823532591.db2.gz SAUFRPHPWZXFSK-CYBMUJFWSA-N 0 0 375.538 4.331 20 30 GIEDRN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c(C#N)c21 ZINC000411009496 823532725 /nfs/dbraw/zinc/53/27/25/823532725.db2.gz JPZFXVBOVLYOQE-VBQJREDUSA-N 0 0 388.496 4.498 20 30 GIEDRN COc1cc(C(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)ccc1[N+](=O)[O-] ZINC000411012872 823533435 /nfs/dbraw/zinc/53/34/35/823533435.db2.gz NWLMWUNZTBEVSP-GHMZBOCLSA-N 0 0 385.445 4.475 20 30 GIEDRN CC(=O)N1CCC(CCC(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)CC1 ZINC000411013295 823533461 /nfs/dbraw/zinc/53/34/61/823533461.db2.gz NZWJOIAJWMJGKD-UONOGXRCSA-N 0 0 387.549 4.283 20 30 GIEDRN C=C(C)CN(CC)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000041098756 821169751 /nfs/dbraw/zinc/16/97/51/821169751.db2.gz WOECZUMRELRIQO-UHFFFAOYSA-N 0 0 396.516 4.103 20 30 GIEDRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc(C#N)cs1 ZINC000177834584 823533493 /nfs/dbraw/zinc/53/34/93/823533493.db2.gz NEXHLXPVJLGIRU-CQSZACIVSA-N 0 0 376.913 4.411 20 30 GIEDRN N#Cc1cc(F)cc(C2(C(=O)N3CCCc4c(OC(F)F)cccc43)CC2)c1 ZINC000411018738 823534377 /nfs/dbraw/zinc/53/43/77/823534377.db2.gz LVWFLDOGDGDCEO-UHFFFAOYSA-N 0 0 386.373 4.310 20 30 GIEDRN C[C@H](NC(=O)N[C@H](CO)C1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460878048 823534702 /nfs/dbraw/zinc/53/47/02/823534702.db2.gz DLSLQYDIXJUATL-KSFYIVLOSA-N 0 0 377.488 4.137 20 30 GIEDRN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)c3csc(-c4cnccn4)n3)c(C#N)c21 ZINC000411022874 823535063 /nfs/dbraw/zinc/53/50/63/823535063.db2.gz XVIKIQIRIBNTBL-WDEREUQCSA-N 0 0 395.513 4.471 20 30 GIEDRN CC(C)c1ccc(-n2ccnc2SCC(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000041482084 821197699 /nfs/dbraw/zinc/19/76/99/821197699.db2.gz BYZWQGYWMRWDSB-SFHVURJKSA-N 0 0 376.485 4.359 20 30 GIEDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)s1 ZINC000041494396 821198415 /nfs/dbraw/zinc/19/84/15/821198415.db2.gz HKJIHEIKOYBHBP-OAHLLOKOSA-N 0 0 393.468 4.122 20 30 GIEDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496719 821199396 /nfs/dbraw/zinc/19/93/96/821199396.db2.gz ATWKDPFWCXLZTG-OAHLLOKOSA-N 0 0 384.443 4.256 20 30 GIEDRN Cc1nc(COc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)no1 ZINC000041501005 821200019 /nfs/dbraw/zinc/20/00/19/821200019.db2.gz PSXNDLVJJVRHHV-HNNXBMFYSA-N 0 0 390.424 4.057 20 30 GIEDRN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000041512085 821201851 /nfs/dbraw/zinc/20/18/51/821201851.db2.gz QARXGLQOLZUGCD-IBGZPJMESA-N 0 0 399.479 4.248 20 30 GIEDRN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000041512728 821202439 /nfs/dbraw/zinc/20/24/39/821202439.db2.gz XTVOZOWEBRZKFW-KRWDZBQOSA-N 0 0 387.464 4.493 20 30 GIEDRN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000041513229 821202497 /nfs/dbraw/zinc/20/24/97/821202497.db2.gz ZNQXZUGWSJDPQH-GOSISDBHSA-N 0 0 385.452 4.189 20 30 GIEDRN CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1OC ZINC000041521484 821204849 /nfs/dbraw/zinc/20/48/49/821204849.db2.gz WXWOFDVYDRLTFU-LLVKDONJSA-N 0 0 395.278 4.111 20 30 GIEDRN CCOc1ccc(OCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041537502 821206527 /nfs/dbraw/zinc/20/65/27/821206527.db2.gz RDKAMIMFNUXHJT-GOSISDBHSA-N 0 0 378.453 4.464 20 30 GIEDRN Cc1sc2ncnc(SCC(=O)[C@H](C#N)c3nc4ccccc4o3)c2c1C ZINC000041546569 821207347 /nfs/dbraw/zinc/20/73/47/821207347.db2.gz WVTAGNFQVJVLSV-LBPRGKRZSA-N 0 0 394.481 4.418 20 30 GIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 ZINC000041556926 821209479 /nfs/dbraw/zinc/20/94/79/821209479.db2.gz HBXJNFSEZWQEIE-MRXNPFEDSA-N 0 0 376.243 4.071 20 30 GIEDRN N#C[C@@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2n1C(F)F ZINC000041557321 821209775 /nfs/dbraw/zinc/20/97/75/821209775.db2.gz LSRZGQVVMYMJJH-INIZCTEOSA-N 0 0 391.381 4.166 20 30 GIEDRN CCOc1ccc(OCC(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000041559649 821210925 /nfs/dbraw/zinc/21/09/25/821210925.db2.gz RMLIFHGNQOBHSB-OAHLLOKOSA-N 0 0 385.370 4.085 20 30 GIEDRN CCOC(=O)c1ccc(C#N)c(SCc2cc(-c3ccc(F)cc3)no2)n1 ZINC000041720591 821219110 /nfs/dbraw/zinc/21/91/10/821219110.db2.gz XQEJEIOEDCABPI-UHFFFAOYSA-N 0 0 383.404 4.216 20 30 GIEDRN CCOC(=O)c1ccc(C#N)c(SCc2csc(-c3ccc(C)o3)n2)n1 ZINC000041720586 821219141 /nfs/dbraw/zinc/21/91/41/821219141.db2.gz DUDCIZDJQAOTMX-UHFFFAOYSA-N 0 0 385.470 4.447 20 30 GIEDRN COCC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000411050699 823538000 /nfs/dbraw/zinc/53/80/00/823538000.db2.gz RLJSMZZCIXIJOS-INIZCTEOSA-N 0 0 398.331 4.363 20 30 GIEDRN CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000041851597 821237827 /nfs/dbraw/zinc/23/78/27/821237827.db2.gz OMGSRWGEGKKHMN-GOSISDBHSA-N 0 0 383.879 4.444 20 30 GIEDRN C[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000042019344 821254377 /nfs/dbraw/zinc/25/43/77/821254377.db2.gz OUCBNVFXWDYCDO-INIZCTEOSA-N 0 0 385.423 4.166 20 30 GIEDRN C[C@H](CC#N)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCO1 ZINC000460907556 823539720 /nfs/dbraw/zinc/53/97/20/823539720.db2.gz KWFDMVMGSGQIJW-WBVHZDCISA-N 0 0 399.564 4.193 20 30 GIEDRN Cc1cnc([C@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)s1 ZINC000177874846 823539777 /nfs/dbraw/zinc/53/97/77/823539777.db2.gz MEIQTTXIQNGCHW-HNNXBMFYSA-N 0 0 377.469 4.393 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C ZINC000042087464 821262789 /nfs/dbraw/zinc/26/27/89/821262789.db2.gz ITEWMZONTXJMFC-ZDUSSCGKSA-N 0 0 378.929 4.041 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C ZINC000042096968 821264611 /nfs/dbraw/zinc/26/46/11/821264611.db2.gz VVFNNPNRBGDRRS-CYBMUJFWSA-N 0 0 378.929 4.041 20 30 GIEDRN C=CCNc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)s1 ZINC000042102773 821266103 /nfs/dbraw/zinc/26/61/03/821266103.db2.gz ACULREFJANYQRQ-QWHCGFSZSA-N 0 0 376.551 4.056 20 30 GIEDRN CCSc1cccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000190121799 823540276 /nfs/dbraw/zinc/54/02/76/823540276.db2.gz BOFSWGPVRRXZON-UHFFFAOYSA-N 0 0 393.390 4.266 20 30 GIEDRN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C#N)c(O)c1 ZINC000190121805 823540301 /nfs/dbraw/zinc/54/03/01/823540301.db2.gz BWCDMENUZWPWRJ-UHFFFAOYSA-N 0 0 378.453 4.177 20 30 GIEDRN C=CCn1c(-c2cccc(C)c2)nn(CN(C[C@H]2CCOC2)C2CC2)c1=S ZINC000123794611 823541487 /nfs/dbraw/zinc/54/14/87/823541487.db2.gz BPGWDUJAOQUDKA-QGZVFWFLSA-N 0 0 384.549 4.034 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)N(CC)CC)nnc1-c1ccc(Cl)cc1 ZINC000042216285 821286506 /nfs/dbraw/zinc/28/65/06/821286506.db2.gz QLHDXMJOBPEJPN-ZDUSSCGKSA-N 0 0 378.929 4.134 20 30 GIEDRN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1 ZINC000042332438 821301432 /nfs/dbraw/zinc/30/14/32/821301432.db2.gz RUPOAOQLSFQSDS-MRXNPFEDSA-N 0 0 385.895 4.116 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000042382778 821305515 /nfs/dbraw/zinc/30/55/15/821305515.db2.gz UZDZPDNRPYPLQR-CYBMUJFWSA-N 0 0 376.551 4.247 20 30 GIEDRN N#CC1(NC(=O)CSc2nc3cc(C(F)(F)F)ccc3[nH]2)CCCCC1 ZINC000042568517 821311391 /nfs/dbraw/zinc/31/13/91/821311391.db2.gz KEKHNXORIARZRS-UHFFFAOYSA-N 0 0 382.411 4.016 20 30 GIEDRN COC(=O)c1ccc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000042642416 821318636 /nfs/dbraw/zinc/31/86/36/821318636.db2.gz FLOIVNLWGDHWEI-NSHDSACASA-N 0 0 386.498 4.014 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)CSCc3cccnc3)c2)c1 ZINC000042919471 821345126 /nfs/dbraw/zinc/34/51/26/821345126.db2.gz YWXBYMNBPVDDPO-UHFFFAOYSA-N 0 0 389.480 4.404 20 30 GIEDRN N#Cc1ccc(Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)nc1 ZINC000042817123 821335196 /nfs/dbraw/zinc/33/51/96/821335196.db2.gz OEOJLZSTTHKMFB-UHFFFAOYSA-N 0 0 394.843 4.109 20 30 GIEDRN N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000043166551 821371670 /nfs/dbraw/zinc/37/16/70/821371670.db2.gz OQHAUOPOCYKGSK-LJQANCHMSA-N 0 0 392.528 4.017 20 30 GIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000043243371 821380864 /nfs/dbraw/zinc/38/08/64/821380864.db2.gz VNFVNSKNDLGGTJ-UHFFFAOYSA-N 0 0 398.388 4.008 20 30 GIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1 ZINC000180709882 821409374 /nfs/dbraw/zinc/40/93/74/821409374.db2.gz WVMYEIRHEXTDIT-UHFFFAOYSA-N 0 0 395.418 4.104 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000180741248 821428376 /nfs/dbraw/zinc/42/83/76/821428376.db2.gz QTUHTQHZESCBTH-UHFFFAOYSA-N 0 0 389.434 4.412 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1Cl ZINC000180744137 821430388 /nfs/dbraw/zinc/43/03/88/821430388.db2.gz MFWCBEOVZCLVIS-LJQANCHMSA-N 0 0 381.863 4.198 20 30 GIEDRN CC(C)N1CC[C@@H](NC(=O)C2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180754294 821436085 /nfs/dbraw/zinc/43/60/85/821436085.db2.gz QDRLEUAKNNPSOU-MSOLQXFVSA-N 0 0 377.891 4.203 20 30 GIEDRN CCC[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000043712127 821444547 /nfs/dbraw/zinc/44/45/47/821444547.db2.gz HFNSUBOSMAGSKY-OAQYLSRUSA-N 0 0 376.504 4.321 20 30 GIEDRN CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000180775805 821449188 /nfs/dbraw/zinc/44/91/88/821449188.db2.gz NPHYKBWVMGYXDQ-GOSISDBHSA-N 0 0 398.507 4.172 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)nnc1C1CC1 ZINC000043851565 821471744 /nfs/dbraw/zinc/47/17/44/821471744.db2.gz RMADAZDLIDTALW-UKRRQHHQSA-N 0 0 388.562 4.247 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1C1CC1 ZINC000043851601 821471846 /nfs/dbraw/zinc/47/18/46/821471846.db2.gz RRABTBGYLMPJAG-CABCVRRESA-N 0 0 382.533 4.190 20 30 GIEDRN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1cc(F)ccc1F ZINC000043869782 821478584 /nfs/dbraw/zinc/47/85/84/821478584.db2.gz JERYTQBQCRTRLV-ZDUSSCGKSA-N 0 0 376.428 4.401 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000043877997 821482290 /nfs/dbraw/zinc/48/22/90/821482290.db2.gz BUBPDSQUHYFFIZ-INIZCTEOSA-N 0 0 381.476 4.258 20 30 GIEDRN N#CCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000180824788 821482471 /nfs/dbraw/zinc/48/24/71/821482471.db2.gz RYKODUJMIITUMD-UHFFFAOYSA-N 0 0 375.322 4.006 20 30 GIEDRN CC(=O)Nc1ccc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000043996073 821499346 /nfs/dbraw/zinc/49/93/46/821499346.db2.gz SFIMXBUXMXWYNY-UHFFFAOYSA-N 0 0 389.480 4.428 20 30 GIEDRN Cc1ccc(C(=O)N(C)C)cc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000180876258 821507954 /nfs/dbraw/zinc/50/79/54/821507954.db2.gz BOXGOMDFTJRUDJ-UHFFFAOYSA-N 0 0 387.487 4.086 20 30 GIEDRN C=CCCCN(C)C(=O)Nc1cc(Br)ccc1OCCOCC ZINC000180891242 821518147 /nfs/dbraw/zinc/51/81/47/821518147.db2.gz ODXWFRINPHTDPH-UHFFFAOYSA-N 0 0 385.302 4.294 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000180921295 821539221 /nfs/dbraw/zinc/53/92/21/821539221.db2.gz IYHFBTRNNKREMR-QGZVFWFLSA-N 0 0 393.487 4.047 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000180992179 821579561 /nfs/dbraw/zinc/57/95/61/821579561.db2.gz IKDAQYALMADULP-NHCUHLMSSA-N 0 0 399.441 4.288 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCCCCCCN1C(=O)c2ccccc2C1=O ZINC000180994960 821581593 /nfs/dbraw/zinc/58/15/93/821581593.db2.gz RJEJIGQILLOGGD-KRWDZBQOSA-N 0 0 391.471 4.246 20 30 GIEDRN Cc1cc(Br)oc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000044470612 821589269 /nfs/dbraw/zinc/58/92/69/821589269.db2.gz CVLCUIYALHDORD-UHFFFAOYSA-N 0 0 386.167 4.151 20 30 GIEDRN CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCc1cccc(C#N)c1 ZINC000044484934 821591333 /nfs/dbraw/zinc/59/13/33/821591333.db2.gz JLJUGYPUVFJNSR-GOSISDBHSA-N 0 0 387.277 4.041 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000044485726 821591991 /nfs/dbraw/zinc/59/19/91/821591991.db2.gz MXCUFHLEXOAYCZ-UHFFFAOYSA-N 0 0 377.469 4.105 20 30 GIEDRN N#CCc1ccc(NC(=O)CNc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000181017161 821595159 /nfs/dbraw/zinc/59/51/59/821595159.db2.gz JCGJSKGSWADGDO-UHFFFAOYSA-N 0 0 399.376 4.008 20 30 GIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000044567464 821609721 /nfs/dbraw/zinc/60/97/21/821609721.db2.gz YBMNTOQJDITUGZ-INIZCTEOSA-N 0 0 386.455 4.164 20 30 GIEDRN COc1ccc(CN(C)C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000181063643 821615085 /nfs/dbraw/zinc/61/50/85/821615085.db2.gz 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C[C@H](C#N)Oc1ccccc1NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000182111662 822098744 /nfs/dbraw/zinc/09/87/44/822098744.db2.gz YQAFXPBRLPMXCW-QGZVFWFLSA-N 0 0 387.439 4.133 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000182117081 822100857 /nfs/dbraw/zinc/10/08/57/822100857.db2.gz MKMXPGMETAPMNZ-NSHDSACASA-N 0 0 381.379 4.122 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000182123829 822104135 /nfs/dbraw/zinc/10/41/35/822104135.db2.gz BCCNLKHMQZIPPC-HNNXBMFYSA-N 0 0 387.395 4.273 20 30 GIEDRN N#Cc1cnc2ccccc2c1N1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182175146 822132406 /nfs/dbraw/zinc/13/24/06/822132406.db2.gz NHTZOOFMFJPFQL-UHFFFAOYSA-N 0 0 398.297 4.130 20 30 GIEDRN Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)ccc1C#N ZINC000182189599 822139583 /nfs/dbraw/zinc/13/95/83/822139583.db2.gz NPHRXXLVHAKXIG-UHFFFAOYSA-N 0 0 384.155 4.295 20 30 GIEDRN CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)cc1 ZINC000182197800 822142340 /nfs/dbraw/zinc/14/23/40/822142340.db2.gz 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CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC2CC(C)(c3ccccc3)C2)s1 ZINC000453645052 822397557 /nfs/dbraw/zinc/39/75/57/822397557.db2.gz RPDLWHWETQEMDV-UHFFFAOYSA-N 0 0 395.528 4.092 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000178637969 822398461 /nfs/dbraw/zinc/39/84/61/822398461.db2.gz QXSQBIXMYNNSBC-MHZGPWMTSA-N 0 0 391.515 4.013 20 30 GIEDRN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cs1 ZINC000045615453 822400416 /nfs/dbraw/zinc/40/04/16/822400416.db2.gz YCJYVVSBRBRDBI-FMIVXFBMSA-N 0 0 383.517 4.402 20 30 GIEDRN Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453697381 822401521 /nfs/dbraw/zinc/40/15/21/822401521.db2.gz XSLJGCSNBVPFQV-INIZCTEOSA-N 0 0 393.487 4.168 20 30 GIEDRN CC(F)(F)c1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000453710135 822402979 /nfs/dbraw/zinc/40/29/79/822402979.db2.gz NCJBNQOTRXSUAQ-UHFFFAOYSA-N 0 0 387.386 4.058 20 30 GIEDRN CCCOc1cccc(NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)c1 ZINC000453711509 822403377 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CC[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000178821425 822413901 /nfs/dbraw/zinc/41/39/01/822413901.db2.gz IOZUDLOTJBRCJC-RBUKOAKNSA-N 0 0 379.460 4.253 20 30 GIEDRN CCC1(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 ZINC000453824958 822414570 /nfs/dbraw/zinc/41/45/70/822414570.db2.gz VPTNFILQLPVIGJ-UHFFFAOYSA-N 0 0 377.444 4.128 20 30 GIEDRN N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000453862371 822417080 /nfs/dbraw/zinc/41/70/80/822417080.db2.gz ZLHZJXSDZGASSB-YOEHRIQHSA-N 0 0 397.862 4.269 20 30 GIEDRN CCC[C@H](NC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000453896823 822418869 /nfs/dbraw/zinc/41/88/69/822418869.db2.gz UZUKCJMERCQTQB-YOEHRIQHSA-N 0 0 375.538 4.208 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000183065395 822419515 /nfs/dbraw/zinc/41/95/15/822419515.db2.gz CUSQGROCOAHIOM-UHFFFAOYSA-N 0 0 397.862 4.220 20 30 GIEDRN COCc1noc([C@@H](C)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)n1 ZINC000183065503 822419526 /nfs/dbraw/zinc/41/95/26/822419526.db2.gz QKWCKSWTAKKOSG-CYBMUJFWSA-N 0 0 398.850 4.493 20 30 GIEDRN CC(C)(C)C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(F)(F)F ZINC000183069128 822420189 /nfs/dbraw/zinc/42/01/89/822420189.db2.gz XHIYTFKNJZCXQF-HNNXBMFYSA-N 0 0 383.414 4.150 20 30 GIEDRN C=CCC1(CNC(=O)C(=O)Nc2cccc(-c3nc(C)cs3)c2)CCCC1 ZINC000453969225 822420328 /nfs/dbraw/zinc/42/03/28/822420328.db2.gz GQLQTWOHCBKXHV-UHFFFAOYSA-N 0 0 383.517 4.310 20 30 GIEDRN C=CCC1(CNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)CCCC1 ZINC000453983593 822421064 /nfs/dbraw/zinc/42/10/64/822421064.db2.gz CRYUSBQYHSBKAR-UHFFFAOYSA-N 0 0 375.538 4.382 20 30 GIEDRN C=CCC1(CNC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)CCCC1 ZINC000453990609 822421272 /nfs/dbraw/zinc/42/12/72/822421272.db2.gz WELABUCFWXRKOD-UHFFFAOYSA-N 0 0 387.505 4.211 20 30 GIEDRN CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000045884628 822421750 /nfs/dbraw/zinc/42/17/50/822421750.db2.gz KSCLILFLPMYUAR-DNVCBOLYSA-N 0 0 376.460 4.105 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)ccc1Cl ZINC000454021219 822423089 /nfs/dbraw/zinc/42/30/89/822423089.db2.gz IAZNTQPOEMWJGP-VQIMIIECSA-N 0 0 395.890 4.240 20 30 GIEDRN CCN(C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)c1ccc(C#N)cc1 ZINC000183087454 822423198 /nfs/dbraw/zinc/42/31/98/822423198.db2.gz VMMBPAFDUOFMLT-GFCCVEGCSA-N 0 0 378.398 4.091 20 30 GIEDRN COc1ccc(CNc2cn(-c3ccccc3)nc2C)cc1OCCCC#N ZINC000183091335 822423392 /nfs/dbraw/zinc/42/33/92/822423392.db2.gz OGXQCVIIXRQOOT-UHFFFAOYSA-N 0 0 376.460 4.484 20 30 GIEDRN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000454047978 822425425 /nfs/dbraw/zinc/42/54/25/822425425.db2.gz PRBYZFRCOBMDOC-MJGOQNOKSA-N 0 0 395.890 4.301 20 30 GIEDRN N#CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000454056654 822425733 /nfs/dbraw/zinc/42/57/33/822425733.db2.gz XZTLLNNNTPLIAZ-XLIONFOSSA-N 0 0 395.890 4.187 20 30 GIEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)C1=CCCC1 ZINC000454091815 822428414 /nfs/dbraw/zinc/42/84/14/822428414.db2.gz RGOCZABATCFOPJ-HNNXBMFYSA-N 0 0 385.533 4.272 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000045991836 822431755 /nfs/dbraw/zinc/43/17/55/822431755.db2.gz ZOHBHYJHYUIITI-UHFFFAOYSA-N 0 0 390.418 4.226 20 30 GIEDRN C[C@@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C#N)cc1 ZINC000045991933 822431775 /nfs/dbraw/zinc/43/17/75/822431775.db2.gz FNGAQLNRZDUQEH-OAHLLOKOSA-N 0 0 390.418 4.445 20 30 GIEDRN COc1cc(C#N)cc(Cl)c1OC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000179054988 822434068 /nfs/dbraw/zinc/43/40/68/822434068.db2.gz VAGYBYISRCCCQF-BLLLJJGKSA-N 0 0 396.270 4.391 20 30 GIEDRN COc1cc(C#N)cc(Cl)c1OC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000179054915 822434095 /nfs/dbraw/zinc/43/40/95/822434095.db2.gz NFWAMHNEZXILIT-VQIMIIECSA-N 0 0 387.863 4.054 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000183174230 822435751 /nfs/dbraw/zinc/43/57/51/822435751.db2.gz CVTHFGWJNTYXBP-SNVBAGLBSA-N 0 0 398.816 4.354 20 30 GIEDRN C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1)c1ccccc1 ZINC000179089516 822436971 /nfs/dbraw/zinc/43/69/71/822436971.db2.gz AGLLZUVPVDIMNW-HXUWFJFHSA-N 0 0 393.487 4.165 20 30 GIEDRN N#CC1(c2ccc(C(=O)Nc3ccc(Sc4nncs4)cc3)cc2)CC1 ZINC000183202517 822440733 /nfs/dbraw/zinc/44/07/33/822440733.db2.gz RNEWSJRQDKHVOP-UHFFFAOYSA-N 0 0 378.482 4.497 20 30 GIEDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000183222529 822443817 /nfs/dbraw/zinc/44/38/17/822443817.db2.gz YVMPTJGGEABICS-QGZVFWFLSA-N 0 0 385.443 4.217 20 30 GIEDRN CC(C)C(=O)Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000046197043 822448885 /nfs/dbraw/zinc/44/88/85/822448885.db2.gz DFGMBDMHYGAMMP-UHFFFAOYSA-N 0 0 388.389 4.081 20 30 GIEDRN C[C@@H](NC(=O)c1ccccc1-c1ccccc1C#N)c1ccc2c(c1)CC(=O)N2 ZINC000046208891 822450285 /nfs/dbraw/zinc/45/02/85/822450285.db2.gz VTWBXWMLVPVLAB-OAHLLOKOSA-N 0 0 381.435 4.211 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)Cc1ccc(Br)c(F)c1 ZINC000179225383 822453760 /nfs/dbraw/zinc/45/37/60/822453760.db2.gz LMSPBXMNPDBVCZ-UHFFFAOYSA-N 0 0 377.213 4.040 20 30 GIEDRN C=CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000046243462 822454078 /nfs/dbraw/zinc/45/40/78/822454078.db2.gz CKPAUOMFKGGIOK-UHFFFAOYSA-N 0 0 385.485 4.220 20 30 GIEDRN O=C(c1cccnc1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000179259536 822458527 /nfs/dbraw/zinc/45/85/27/822458527.db2.gz ZNJHGOATPOVMMB-UHFFFAOYSA-N 0 0 380.210 4.057 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000046318958 822461090 /nfs/dbraw/zinc/46/10/90/822461090.db2.gz VVRPLPVCFICZIH-UHFFFAOYSA-N 0 0 376.825 4.014 20 30 GIEDRN N#CCOc1cccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 ZINC000179290821 822461753 /nfs/dbraw/zinc/46/17/53/822461753.db2.gz WIODQYMWWHNSBL-UHFFFAOYSA-N 0 0 383.879 4.414 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000179295107 822462101 /nfs/dbraw/zinc/46/21/01/822462101.db2.gz LODPNBVCRWCWRJ-OAQYLSRUSA-N 0 0 375.472 4.243 20 30 GIEDRN CC(C)(C)OC(=O)N1CCC(CC(=O)[C@H](C#N)c2nc3ccccc3o2)CC1 ZINC000179307266 822463721 /nfs/dbraw/zinc/46/37/21/822463721.db2.gz SZGSOKXXPULCDA-HNNXBMFYSA-N 0 0 383.448 4.041 20 30 GIEDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454371848 822464165 /nfs/dbraw/zinc/46/41/65/822464165.db2.gz YYZOKPQIEKVEAA-QRTARXTBSA-N 0 0 378.314 4.152 20 30 GIEDRN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2csc([C@H]3CCCO3)n2)cc1 ZINC000179327282 822466555 /nfs/dbraw/zinc/46/65/55/822466555.db2.gz WFQGFUAJFTYLJF-OAHLLOKOSA-N 0 0 395.406 4.071 20 30 GIEDRN CN(C[C@H]1CCCC[C@H]1O)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000183392099 822467670 /nfs/dbraw/zinc/46/76/70/822467670.db2.gz MQEDPTUFFYGHJA-UYAOXDASSA-N 0 0 380.513 4.333 20 30 GIEDRN Cc1c(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cnn1C ZINC000179341141 822468167 /nfs/dbraw/zinc/46/81/67/822468167.db2.gz HTDCGQCMIPHQRR-UHFFFAOYSA-N 0 0 375.432 4.023 20 30 GIEDRN C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)N1CCc2ccccc2C1 ZINC000179356783 822470621 /nfs/dbraw/zinc/47/06/21/822470621.db2.gz KEZHFJRZHQPSHE-YOEHRIQHSA-N 0 0 394.425 4.054 20 30 GIEDRN N#Cc1ccc(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1F ZINC000454420531 822472609 /nfs/dbraw/zinc/47/26/09/822472609.db2.gz GKPBOOPPMHJCLI-RHSMWYFYSA-N 0 0 377.341 4.071 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000183453245 822477203 /nfs/dbraw/zinc/47/72/03/822477203.db2.gz VVODOFHJAJWJCH-CXAGYDPISA-N 0 0 392.425 4.327 20 30 GIEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000454457168 822478693 /nfs/dbraw/zinc/47/86/93/822478693.db2.gz FBBBWLPXHOZHDR-HOTGVXAUSA-N 0 0 380.448 4.395 20 30 GIEDRN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C#N)cc2)c1 ZINC000046519178 822480507 /nfs/dbraw/zinc/48/05/07/822480507.db2.gz AIYKWOCBLFYMRL-QHCPKHFHSA-N 0 0 385.467 4.379 20 30 GIEDRN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(C#N)cc1 ZINC000046526624 822481056 /nfs/dbraw/zinc/48/10/56/822481056.db2.gz IPUJNOILLNNXMN-IBGZPJMESA-N 0 0 383.495 4.284 20 30 GIEDRN COc1ncccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472852 822487667 /nfs/dbraw/zinc/48/76/67/822487667.db2.gz KFSKDBIDVKBREB-CYBMUJFWSA-N 0 0 384.848 4.113 20 30 GIEDRN C[C@H]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)O1 ZINC000454514521 822488407 /nfs/dbraw/zinc/48/84/07/822488407.db2.gz ROYDPUNFIPREBD-KKSFZXQISA-N 0 0 379.460 4.021 20 30 GIEDRN CCOc1ccc(N(CCC#N)C(=O)/C=C/c2ccc(O)c(OCC)c2)cc1 ZINC000179478993 822488518 /nfs/dbraw/zinc/48/85/18/822488518.db2.gz JQIIGQJGASXSGJ-NTUHNPAUSA-N 0 0 380.444 4.150 20 30 GIEDRN Cc1csc([C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)n1 ZINC000183532613 822490879 /nfs/dbraw/zinc/49/08/79/822490879.db2.gz YEDFQFBWFKMXPT-FQEVSTJZSA-N 0 0 382.533 4.056 20 30 GIEDRN N#CCC[C@@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccccc1 ZINC000179497671 822491421 /nfs/dbraw/zinc/49/14/21/822491421.db2.gz WRXVRDSCLKXZKA-DLBZAZTESA-N 0 0 385.261 4.086 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000046609349 822491764 /nfs/dbraw/zinc/49/17/64/822491764.db2.gz UHXSYTNPCWQHIU-UHFFFAOYSA-N 0 0 391.924 4.001 20 30 GIEDRN CCC[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)OC ZINC000454535733 822493045 /nfs/dbraw/zinc/49/30/45/822493045.db2.gz ZGRAPEHRCJVJQH-HXUWFJFHSA-N 0 0 381.476 4.268 20 30 GIEDRN Cc1cc(NC(=O)NC[C@@H](C)C#N)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000179509910 822493411 /nfs/dbraw/zinc/49/34/11/822493411.db2.gz IVPJHVPSDUATGY-VIFPVBQESA-N 0 0 385.777 4.134 20 30 GIEDRN CCC(CC)n1nc(C(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1C ZINC000183578062 822496946 /nfs/dbraw/zinc/49/69/46/822496946.db2.gz VTQGTBMNWVKHIY-SFHVURJKSA-N 0 0 398.507 4.172 20 30 GIEDRN CCN(C(=O)c1cccc(Oc2cnccn2)c1)c1ccc(C#N)c(Cl)c1 ZINC000179526186 822497100 /nfs/dbraw/zinc/49/71/00/822497100.db2.gz YBDVJKBIMVFQJM-UHFFFAOYSA-N 0 0 378.819 4.461 20 30 GIEDRN CCN(C(=O)c1cnn(Cc2ccccc2)c1C)c1ccc(C#N)c(Cl)c1 ZINC000179530832 822498012 /nfs/dbraw/zinc/49/80/12/822498012.db2.gz JGKOVANHLGCWPW-UHFFFAOYSA-N 0 0 378.863 4.432 20 30 GIEDRN CC(C)(C)c1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)s1 ZINC000179548615 822501319 /nfs/dbraw/zinc/50/13/19/822501319.db2.gz DDOXJIOFYUUCPJ-MRXNPFEDSA-N 0 0 397.500 4.287 20 30 GIEDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000179552845 822502207 /nfs/dbraw/zinc/50/22/07/822502207.db2.gz YTLXWEPLRLRYJC-UHFFFAOYSA-N 0 0 385.518 4.335 20 30 GIEDRN CC1(CO)CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000183622339 822502541 /nfs/dbraw/zinc/50/25/41/822502541.db2.gz ANNVSACZBOVWCH-UHFFFAOYSA-N 0 0 380.513 4.085 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000454592635 822502675 /nfs/dbraw/zinc/50/26/75/822502675.db2.gz RXAMUCCOXNNIDR-CYBMUJFWSA-N 0 0 384.383 4.227 20 30 GIEDRN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000179555589 822502850 /nfs/dbraw/zinc/50/28/50/822502850.db2.gz HCVYMOYTTNTDLZ-AWEZNQCLSA-N 0 0 398.875 4.415 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000454594444 822503118 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N#Cc1cccnc1-n1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)cn1 ZINC000183684496 822510873 /nfs/dbraw/zinc/51/08/73/822510873.db2.gz HIEVFCLIPNXOKO-CVEARBPZSA-N 0 0 398.253 4.188 20 30 GIEDRN C[C@H](Nc1ccc(F)cc1OCC(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000179604024 822511069 /nfs/dbraw/zinc/51/10/69/822511069.db2.gz JGQYEBHQNCQQBZ-AWEZNQCLSA-N 0 0 391.393 4.217 20 30 GIEDRN Cc1c2cc(F)ccc2sc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183685395 822511153 /nfs/dbraw/zinc/51/11/53/822511153.db2.gz ZYQAVOARKLITAD-UHFFFAOYSA-N 0 0 377.404 4.054 20 30 GIEDRN Cc1ccc(-c2nc(C(=O)NCCSCc3ccccc3C#N)cs2)o1 ZINC000046739691 822511946 /nfs/dbraw/zinc/51/19/46/822511946.db2.gz COLUBPFKOSATMQ-UHFFFAOYSA-N 0 0 383.498 4.246 20 30 GIEDRN N#C[C@@H](NC(=O)CCc1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000183690495 822512028 /nfs/dbraw/zinc/51/20/28/822512028.db2.gz JDRHCTMYGAVRPV-HSZRJFAPSA-N 0 0 386.451 4.285 20 30 GIEDRN Cc1cccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)c1C(=O)N1CCCC1 ZINC000183694210 822512763 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CC[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000454689328 822517565 /nfs/dbraw/zinc/51/75/65/822517565.db2.gz IAFWUTWKVAZTMA-SIKLNZKXSA-N 0 0 393.487 4.070 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H](OC)C2CC2)cc1 ZINC000454690962 822517877 /nfs/dbraw/zinc/51/78/77/822517877.db2.gz XMTXOMGHHDRIIW-SPLOXXLWSA-N 0 0 395.459 4.294 20 30 GIEDRN C[C@H]1C[C@@H](O)CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000454693428 822518278 /nfs/dbraw/zinc/51/82/78/822518278.db2.gz CTEOODNVLCRIMQ-KBXCAEBGSA-N 0 0 399.878 4.025 20 30 GIEDRN N#Cc1cccc(COc2ccc(NC(=O)NC[C@H](O)C3CCC3)cc2Cl)c1 ZINC000454699229 822519327 /nfs/dbraw/zinc/51/93/27/822519327.db2.gz MDMLTOSGAYVYQP-IBGZPJMESA-N 0 0 399.878 4.073 20 30 GIEDRN CN(C)C(=O)c1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000454704383 822520458 /nfs/dbraw/zinc/52/04/58/822520458.db2.gz JGLJRVQFIPNDAM-UHFFFAOYSA-N 0 0 383.879 4.121 20 30 GIEDRN N#Cc1ccc(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)nc1 ZINC000183756466 822523055 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CC(C)OC(=O)[C@@H](NC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000454748972 822527720 /nfs/dbraw/zinc/52/77/20/822527720.db2.gz ITPJSNJFZHLQSM-PBHICJAKSA-N 0 0 377.510 4.036 20 30 GIEDRN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000454756122 822528770 /nfs/dbraw/zinc/52/87/70/822528770.db2.gz PWELBUKSCBOMPX-OAGGEKHMSA-N 0 0 389.521 4.182 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000046904207 822528926 /nfs/dbraw/zinc/52/89/26/822528926.db2.gz QXZPIBIFIKGMSD-UHFFFAOYSA-N 0 0 398.454 4.362 20 30 GIEDRN Cc1ccc(C[C@@H](CO)NC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C ZINC000454773076 822531195 /nfs/dbraw/zinc/53/11/95/822531195.db2.gz WAFRRYIDZUZFFL-HKUYNNGSSA-N 0 0 397.544 4.423 20 30 GIEDRN CC[C@H](CC#N)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000183831540 822533483 /nfs/dbraw/zinc/53/34/83/822533483.db2.gz KCVPGKYFFHNSSW-OAHLLOKOSA-N 0 0 379.464 4.311 20 30 GIEDRN Cc1c([C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000046983421 822535079 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Cc1ccc(NC(=O)NCc2ccc(C#N)c(F)c2)cc1NC(=O)C(C)(C)C ZINC000454825505 822541394 /nfs/dbraw/zinc/54/13/94/822541394.db2.gz VBSYCZYGVFOLDZ-UHFFFAOYSA-N 0 0 382.439 4.312 20 30 GIEDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000183896636 822542249 /nfs/dbraw/zinc/54/22/49/822542249.db2.gz SWYJPMZWPQNRFL-INIZCTEOSA-N 0 0 392.459 4.166 20 30 GIEDRN CC(C)(C)OC(=O)N1CCC(C(=O)OCC2(C#N)CCC2)(c2ccccc2)CC1 ZINC000183901270 822543181 /nfs/dbraw/zinc/54/31/81/822543181.db2.gz FEEIXNASIJXBBO-UHFFFAOYSA-N 0 0 398.503 4.192 20 30 GIEDRN C=CCC[C@@H](CO)NC(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000454845640 822544852 /nfs/dbraw/zinc/54/48/52/822544852.db2.gz VUYDARAUEUQEIX-KRWDZBQOSA-N 0 0 396.466 4.136 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000179766464 822547710 /nfs/dbraw/zinc/54/77/10/822547710.db2.gz HZJFBVUNXNOEIP-UHFFFAOYSA-N 0 0 380.835 4.357 20 30 GIEDRN Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1NC(=O)CC(C)C ZINC000183929017 822548634 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ZINC000574499553 823749391 /nfs/dbraw/zinc/74/93/91/823749391.db2.gz VRKIGLAQTYZOPT-JKSUJKDBSA-N 0 0 381.888 4.284 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(c2cccc(OC)c2)CC1 ZINC000461917039 823753125 /nfs/dbraw/zinc/75/31/25/823753125.db2.gz IYWIVDUPDOJABI-UHFFFAOYSA-N 0 0 380.488 4.133 20 30 GIEDRN N#Cc1ccc(Br)c(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)c1 ZINC000191741780 823753972 /nfs/dbraw/zinc/75/39/72/823753972.db2.gz IZUJURAZCUFSDB-UHFFFAOYSA-N 0 0 398.647 4.209 20 30 GIEDRN N#Cc1cc(Br)ccc1N1CCC2(CC1)OCCc1ccccc12 ZINC000413329954 823754114 /nfs/dbraw/zinc/75/41/14/823754114.db2.gz JWJNORPYQBTNAJ-UHFFFAOYSA-N 0 0 383.289 4.389 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCc2cscn2)cc1 ZINC000163857485 823754642 /nfs/dbraw/zinc/75/46/42/823754642.db2.gz RXWIZQHCBRIIHZ-UHFFFAOYSA-N 0 0 394.456 4.180 20 30 GIEDRN Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@](CO)(c4ccccc4)C3)c2c1 ZINC000461919433 823754596 /nfs/dbraw/zinc/75/45/96/823754596.db2.gz PUFGSQCRVSQERY-QFIPXVFZSA-N 0 0 377.875 4.209 20 30 GIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSC[C@H]2CCCO2)c1C#N ZINC000191753358 823757211 /nfs/dbraw/zinc/75/72/11/823757211.db2.gz IHLWMLRVLRYTTK-QGZVFWFLSA-N 0 0 375.538 4.333 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000413354516 823758244 /nfs/dbraw/zinc/75/82/44/823758244.db2.gz GWKXNMFRHXUANW-YLJYHZDGSA-N 0 0 390.487 4.208 20 30 GIEDRN CC[C@@H](Sc1ccccc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000413356444 823758652 /nfs/dbraw/zinc/75/86/52/823758652.db2.gz JOFUFHKTAOIOJY-HXUWFJFHSA-N 0 0 382.485 4.275 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000574543008 823760125 /nfs/dbraw/zinc/76/01/25/823760125.db2.gz OYZXSVPGMKQUDK-UHFFFAOYSA-N 0 0 395.507 4.349 20 30 GIEDRN CC(=O)CC(C)(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000191770528 823762081 /nfs/dbraw/zinc/76/20/81/823762081.db2.gz IMCJBIIIRXZJFM-UHFFFAOYSA-N 0 0 377.444 4.144 20 30 GIEDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)ccc1Br ZINC000191774528 823763259 /nfs/dbraw/zinc/76/32/59/823763259.db2.gz XOMGFZBCLHJRBT-CQSZACIVSA-N 0 0 396.292 4.094 20 30 GIEDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(C#N)ccc1Br ZINC000191774512 823763567 /nfs/dbraw/zinc/76/35/67/823763567.db2.gz XOMGFZBCLHJRBT-AWEZNQCLSA-N 0 0 396.292 4.094 20 30 GIEDRN CC#CCCCc1nc(C2(c3cccc(Br)c3)CCOCC2)no1 ZINC000574556658 823765049 /nfs/dbraw/zinc/76/50/49/823765049.db2.gz XKPZFLJIFBMVRD-UHFFFAOYSA-N 0 0 389.293 4.275 20 30 GIEDRN C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000126007536 823765209 /nfs/dbraw/zinc/76/52/09/823765209.db2.gz LJTWWFHLYZBXAK-CYBMUJFWSA-N 0 0 379.334 4.334 20 30 GIEDRN N#Cc1ccc(Br)c(CN(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000191777921 823765143 /nfs/dbraw/zinc/76/51/43/823765143.db2.gz MZCJUQZFKOETIU-QGZVFWFLSA-N 0 0 375.266 4.095 20 30 GIEDRN N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](Cc4ccccc4)C3)o2)cc1 ZINC000126014401 823766101 /nfs/dbraw/zinc/76/61/01/823766101.db2.gz REJANFAAJKIHBH-HXUWFJFHSA-N 0 0 386.451 4.435 20 30 GIEDRN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000574572101 823769449 /nfs/dbraw/zinc/76/94/49/823769449.db2.gz WSDDWSLGRXZHFJ-GOSISDBHSA-N 0 0 386.565 4.459 20 30 GIEDRN COc1ccc(-c2nc(C[S@@](=O)CCC(C)(C)C#N)cs2)c(OC)c1 ZINC000574572934 823769993 /nfs/dbraw/zinc/76/99/93/823769993.db2.gz KXVMTYGZCMUQHB-VWLOTQADSA-N 0 0 378.519 4.016 20 30 GIEDRN C=CCOc1cccc(NC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000126034679 823771326 /nfs/dbraw/zinc/77/13/26/823771326.db2.gz BFMUVPCTPYIMSF-IBGZPJMESA-N 0 0 389.459 4.406 20 30 GIEDRN Cc1cc(CN(C)C(=O)N[C@H]2CCC[C@@H]2C#N)cc(C)c1OCC(F)(F)F ZINC000461958843 823771603 /nfs/dbraw/zinc/77/16/03/823771603.db2.gz MZNAXKOIIRKVNC-CVEARBPZSA-N 0 0 383.414 4.078 20 30 GIEDRN Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000126037318 823771866 /nfs/dbraw/zinc/77/18/66/823771866.db2.gz GHJXWQNJUMIYHW-QGZVFWFLSA-N 0 0 395.528 4.087 20 30 GIEDRN COc1ccc(CN(C(=O)N[C@H]2CCC[C@H]2C#N)C2CCCCC2)cc1OC ZINC000461960224 823771943 /nfs/dbraw/zinc/77/19/43/823771943.db2.gz SVIPJSDHDUPMQQ-HKUYNNGSSA-N 0 0 385.508 4.240 20 30 GIEDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000461960374 823772158 /nfs/dbraw/zinc/77/21/58/823772158.db2.gz VMPVTGHNKHZNLM-UNMCSNQZSA-N 0 0 376.504 4.342 20 30 GIEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000191801677 823772793 /nfs/dbraw/zinc/77/27/93/823772793.db2.gz BRUOGSZSJSNTRH-QFIPXVFZSA-N 0 0 382.460 4.497 20 30 GIEDRN COc1ccc(-c2nc3c(s2)[C@H](NC(=O)N[C@H]2CCC[C@H]2C#N)CCC3)cc1 ZINC000461962817 823773746 /nfs/dbraw/zinc/77/37/46/823773746.db2.gz QFYAJGFFHXUFQS-QILLFSRXSA-N 0 0 396.516 4.188 20 30 GIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000461964279 823774100 /nfs/dbraw/zinc/77/41/00/823774100.db2.gz UOEYVLCIEWKWLT-REWPJTCUSA-N 0 0 399.498 4.090 20 30 GIEDRN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000461963747 823774195 /nfs/dbraw/zinc/77/41/95/823774195.db2.gz IXJHRTUWCAANGB-NHCUHLMSSA-N 0 0 375.472 4.170 20 30 GIEDRN CCN(C(=O)Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1)c1ccccc1 ZINC000461964913 823774681 /nfs/dbraw/zinc/77/46/81/823774681.db2.gz WPCZSLAZKMKIFY-GHTZIAJQSA-N 0 0 390.487 4.096 20 30 GIEDRN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000461967650 823775817 /nfs/dbraw/zinc/77/58/17/823775817.db2.gz SWPREULAKIDZDW-MPGHIAIKSA-N 0 0 375.900 4.005 20 30 GIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000461968704 823776134 /nfs/dbraw/zinc/77/61/34/823776134.db2.gz VLGPUOJLLNPOAM-YSVLISHTSA-N 0 0 384.480 4.318 20 30 GIEDRN C[C@H](NC(=O)N[C@@H]1CCC[C@H](CO)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000413433055 823776955 /nfs/dbraw/zinc/77/69/55/823776955.db2.gz CZDQNIZLBOSUCC-SGXKBVARSA-N 0 0 377.488 4.137 20 30 GIEDRN C=CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]1Cc1ccccc1Cl ZINC000574607643 823779504 /nfs/dbraw/zinc/77/95/04/823779504.db2.gz UTDDKWUBEGYTBG-QGZVFWFLSA-N 0 0 379.895 4.391 20 30 GIEDRN N#Cc1cccc(OCCCCC(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000126072587 823780352 /nfs/dbraw/zinc/78/03/52/823780352.db2.gz NJWSWZADJXHCMY-NRFANRHFSA-N 0 0 377.488 4.210 20 30 GIEDRN COc1ccc(-c2nc(C[S@](=O)Cc3ccc(C#N)cc3)cs2)c(OC)c1 ZINC000126076363 823780977 /nfs/dbraw/zinc/78/09/77/823780977.db2.gz PVFDOQHETYRALE-MHZLTWQESA-N 0 0 398.509 4.148 20 30 GIEDRN N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc2F)c1 ZINC000461982563 823781526 /nfs/dbraw/zinc/78/15/26/823781526.db2.gz HMANJCHOHYNRRB-LPHOPBHVSA-N 0 0 378.407 4.090 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461985834 823783250 /nfs/dbraw/zinc/78/32/50/823783250.db2.gz NWHSFAGWYCLWAI-MAUKXSAKSA-N 0 0 376.416 4.173 20 30 GIEDRN N#CCCC1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 ZINC000574633839 823786791 /nfs/dbraw/zinc/78/67/91/823786791.db2.gz CJQGHJFDMJYITR-SFHVURJKSA-N 0 0 396.516 4.035 20 30 GIEDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000191829818 823788050 /nfs/dbraw/zinc/78/80/50/823788050.db2.gz RCCKQHJFEYIMBT-IBGZPJMESA-N 0 0 398.532 4.007 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000413504228 823788754 /nfs/dbraw/zinc/78/87/54/823788754.db2.gz NHPLTTVXCLHDRO-PBHICJAKSA-N 0 0 388.309 4.392 20 30 GIEDRN C[C@@H]1C[C@@H](Nc2cc(N[C@@H]3CS[C@H](C)C3)cc(C#N)c2[N+](=O)[O-])CS1 ZINC000413524635 823791675 /nfs/dbraw/zinc/79/16/75/823791675.db2.gz WNFZAFDXELNYLU-HKCMKHECSA-N 0 0 378.523 4.078 20 30 GIEDRN C[C@@H]1C[C@H](Nc2cc(C#N)c([N+](=O)[O-])c(N[C@@H]3CS[C@H](C)C3)c2)CS1 ZINC000413524634 823791797 /nfs/dbraw/zinc/79/17/97/823791797.db2.gz WNFZAFDXELNYLU-FIXIBIHLSA-N 0 0 378.523 4.078 20 30 GIEDRN Cn1ccnc1C(=O)c1ccc(N[C@H](CCC#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000164304857 823794656 /nfs/dbraw/zinc/79/46/56/823794656.db2.gz NOXAXOTVGXJXJV-QGZVFWFLSA-N 0 0 389.415 4.016 20 30 GIEDRN COC(=O)CCSCc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462016643 823795815 /nfs/dbraw/zinc/79/58/15/823795815.db2.gz NOSMRPOFTWZXHY-HNNXBMFYSA-N 0 0 382.485 4.097 20 30 GIEDRN N#CCC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000164330825 823796696 /nfs/dbraw/zinc/79/66/96/823796696.db2.gz JAXOJUODXMTFSK-AWEZNQCLSA-N 0 0 395.387 4.048 20 30 GIEDRN Cc1cc(-c2cc(C(=O)N[C@H](C)CC#N)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000064346146 823797392 /nfs/dbraw/zinc/79/73/92/823797392.db2.gz WBXSIRSOGJZUTH-GFCCVEGCSA-N 0 0 381.505 4.390 20 30 GIEDRN CC(C)(C)OC(=O)CC[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000413595550 823802151 /nfs/dbraw/zinc/80/21/51/823802151.db2.gz OUYPAMTVVYRBPP-ZDUSSCGKSA-N 0 0 394.313 4.054 20 30 GIEDRN N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN3CC(F)(F)F)c2)cc1 ZINC000462031113 823803149 /nfs/dbraw/zinc/80/31/49/823803149.db2.gz CSHGDAKTWDQRLO-SFHVURJKSA-N 0 0 389.377 4.316 20 30 GIEDRN N#CCCCC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000462030968 823803172 /nfs/dbraw/zinc/80/31/72/823803172.db2.gz LCHIHUJAQJIXQS-JOCHJYFZSA-N 0 0 381.907 4.267 20 30 GIEDRN COc1ccc(N(Cc2ccco2)C(=O)Cc2cccc(OCC#N)c2)cc1F ZINC000126177225 823805966 /nfs/dbraw/zinc/80/59/66/823805966.db2.gz CEIYNNRKQWDQSK-UHFFFAOYSA-N 0 0 394.402 4.106 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000064395494 823810182 /nfs/dbraw/zinc/81/01/82/823810182.db2.gz XZKVGUSIDKXMTB-HZPDHXFCSA-N 0 0 385.261 4.462 20 30 GIEDRN N#CCOc1cccc(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000126223984 823815532 /nfs/dbraw/zinc/81/55/32/823815532.db2.gz JARQUECZIOXUSF-HSZRJFAPSA-N 0 0 388.442 4.371 20 30 GIEDRN N#CCCCC(=O)Nc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000462058003 823815612 /nfs/dbraw/zinc/81/56/12/823815612.db2.gz LOLBULOPOFKIOZ-UHFFFAOYSA-N 0 0 389.377 4.268 20 30 GIEDRN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413676406 823815582 /nfs/dbraw/zinc/81/55/82/823815582.db2.gz ZAMPUPCJKYIMID-QTJFZDIUSA-N 0 0 395.300 4.398 20 30 GIEDRN N#CCOc1ccc(CC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000191942813 823818976 /nfs/dbraw/zinc/81/89/76/823818976.db2.gz CATPCLYARIDRSH-UHFFFAOYSA-N 0 0 376.378 4.113 20 30 GIEDRN N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN3CC(F)(F)F)cc2)c1 ZINC000462069843 823819114 /nfs/dbraw/zinc/81/91/14/823819114.db2.gz DRPJSCLKTNZLIK-SFHVURJKSA-N 0 0 389.377 4.316 20 30 GIEDRN O=C(NCc1ccccc1OCC(F)(F)F)c1cc(F)c(F)c(F)c1F ZINC000126251596 823821009 /nfs/dbraw/zinc/82/10/09/823821009.db2.gz FPQGAGSZJYIYFA-UHFFFAOYSA-N 0 0 381.247 4.114 20 30 GIEDRN C[C@H](C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)c1cccc(C#N)c1 ZINC000462078336 823821262 /nfs/dbraw/zinc/82/12/62/823821262.db2.gz XPZMMBKFPPKCTF-BATSVXPKSA-N 0 0 377.488 4.331 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000064456110 823822208 /nfs/dbraw/zinc/82/22/08/823822208.db2.gz JVZFRTOZDHLFCG-FQEVSTJZSA-N 0 0 399.450 4.067 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000064456853 823822583 /nfs/dbraw/zinc/82/25/83/823822583.db2.gz OXAKHNVBBYPVQF-UHFFFAOYSA-N 0 0 382.423 4.467 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000064456179 823822597 /nfs/dbraw/zinc/82/25/97/823822597.db2.gz ZSKYATUIZVRWKA-UHFFFAOYSA-N 0 0 395.509 4.461 20 30 GIEDRN CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCC(C(C)(C)C)CC1 ZINC000462082750 823822592 /nfs/dbraw/zinc/82/25/92/823822592.db2.gz DTPPGLZNNRLMSQ-UHFFFAOYSA-N 0 0 380.496 4.208 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000191955802 823823642 /nfs/dbraw/zinc/82/36/42/823823642.db2.gz BGJDFSIHYPCUFX-CQSZACIVSA-N 0 0 385.533 4.373 20 30 GIEDRN C=CCOc1ccc(-c2nnc(SCC[S@](=O)c3ccccc3)o2)cc1 ZINC000126275405 823826674 /nfs/dbraw/zinc/82/66/74/823826674.db2.gz STLFXZYECYVEMO-AREMUKBSSA-N 0 0 386.498 4.201 20 30 GIEDRN CCCCCN(CCCCC)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000462095656 823826568 /nfs/dbraw/zinc/82/65/68/823826568.db2.gz WOXFMRUBGRPOTA-UHFFFAOYSA-N 0 0 382.512 4.084 20 30 GIEDRN CCC(CC)[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 ZINC000462096835 823827056 /nfs/dbraw/zinc/82/70/56/823827056.db2.gz GPHNYSGEDSDYCO-FQEVSTJZSA-N 0 0 388.475 4.438 20 30 GIEDRN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@H]3C(F)F)c2)c1 ZINC000574791534 823827919 /nfs/dbraw/zinc/82/79/19/823827919.db2.gz NFWRPYMDTIPMDP-LJQANCHMSA-N 0 0 398.409 4.134 20 30 GIEDRN CC1(C)C(=O)Nc2ccc(C(=O)/C=C/c3cnc(-c4ccccn4)s3)cc21 ZINC000165004154 823829896 /nfs/dbraw/zinc/82/98/96/823829896.db2.gz ATDQXPZQMNTZKE-VQHVLOKHSA-N 0 0 375.453 4.331 20 30 GIEDRN C[C@@H](CNC(=O)Nc1cc(F)ccc1OCC(F)(F)F)CC(F)(F)F ZINC000413743848 823830597 /nfs/dbraw/zinc/83/05/97/823830597.db2.gz GAAUGSNXPIMHFH-MRVPVSSYSA-N 0 0 376.272 4.477 20 30 GIEDRN CN(C)c1nc2cc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)ccc2o1 ZINC000165047812 823831579 /nfs/dbraw/zinc/83/15/79/823831579.db2.gz UAIMWLBTSWJDLF-PKOBYXMFSA-N 0 0 389.459 4.197 20 30 GIEDRN CC(C)n1c(CC(F)(F)F)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000574810455 823833437 /nfs/dbraw/zinc/83/34/37/823833437.db2.gz GLCWQIUTPNLGLZ-UHFFFAOYSA-N 0 0 375.398 4.129 20 30 GIEDRN N#Cc1ccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cc1Cl ZINC000165147752 823835990 /nfs/dbraw/zinc/83/59/90/823835990.db2.gz OJEJILOQWUTFGI-IBGZPJMESA-N 0 0 399.853 4.337 20 30 GIEDRN C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000462128910 823838579 /nfs/dbraw/zinc/83/85/79/823838579.db2.gz IWLQYTUEMXJLFH-ZDUSSCGKSA-N 0 0 389.377 4.111 20 30 GIEDRN N#Cc1ccc(F)cc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000574839350 823839140 /nfs/dbraw/zinc/83/91/40/823839140.db2.gz IVDCOEBRSMHEFX-GOSISDBHSA-N 0 0 380.341 4.169 20 30 GIEDRN CC(=O)N(c1nc(CN2CCC(C#N)CC2)cs1)c1c(C)cc(C)cc1C ZINC000165214760 823840033 /nfs/dbraw/zinc/84/00/33/823840033.db2.gz IDAXPUKUXXCQAY-UHFFFAOYSA-N 0 0 382.533 4.489 20 30 GIEDRN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC000574845686 823840936 /nfs/dbraw/zinc/84/09/36/823840936.db2.gz BRDUWJWHMYASGU-KRWDZBQOSA-N 0 0 392.425 4.309 20 30 GIEDRN COc1ccc(C#N)cc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000064554194 823842714 /nfs/dbraw/zinc/84/27/14/823842714.db2.gz OCHYIUVFPRBHHB-LLVKDONJSA-N 0 0 378.259 4.163 20 30 GIEDRN Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000126341638 823843849 /nfs/dbraw/zinc/84/38/49/823843849.db2.gz GHDCYCYMQOELBK-UHFFFAOYSA-N 0 0 390.443 4.027 20 30 GIEDRN N#CCCCC(=O)N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000462144830 823843733 /nfs/dbraw/zinc/84/37/33/823843733.db2.gz ZOCRQEGOHLHUFA-UHFFFAOYSA-N 0 0 390.256 4.206 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)N(CC)CC)cc1 ZINC000413811399 823843926 /nfs/dbraw/zinc/84/39/26/823843926.db2.gz BBRLWGACFZCPSJ-JOCHJYFZSA-N 0 0 393.531 4.406 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000413823721 823845720 /nfs/dbraw/zinc/84/57/20/823845720.db2.gz NBNIJMPJIYPIGN-JOCHJYFZSA-N 0 0 391.515 4.234 20 30 GIEDRN COCCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000192056395 823846145 /nfs/dbraw/zinc/84/61/45/823846145.db2.gz JFYVBJVYFQKDSI-UHFFFAOYSA-N 0 0 384.501 4.095 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)NC(C)C)cc1 ZINC000413827228 823846322 /nfs/dbraw/zinc/84/63/22/823846322.db2.gz RNPASLJRVUSFPL-OAQYLSRUSA-N 0 0 379.504 4.063 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000413830800 823847276 /nfs/dbraw/zinc/84/72/76/823847276.db2.gz YJBIREKKNJLZMP-QFIPXVFZSA-N 0 0 397.563 4.044 20 30 GIEDRN COc1cccc([C@@H]2C[C@H]2CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000413832521 823847456 /nfs/dbraw/zinc/84/74/56/823847456.db2.gz JSFPNCFAXDQOFD-UNMCSNQZSA-N 0 0 377.488 4.291 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC1)OCCc1ccccc12 ZINC000413834397 823847757 /nfs/dbraw/zinc/84/77/57/823847757.db2.gz LWPDLCUNNSGLSR-JOCHJYFZSA-N 0 0 390.527 4.447 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000413840448 823849194 /nfs/dbraw/zinc/84/91/94/823849194.db2.gz VHBNUDMOCSBTDD-CQSZACIVSA-N 0 0 383.439 4.491 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000413843046 823849547 /nfs/dbraw/zinc/84/95/47/823849547.db2.gz ZBNRXPDOURSJQH-QFIPXVFZSA-N 0 0 388.515 4.260 20 30 GIEDRN CNc1nc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cs1 ZINC000126387550 823853910 /nfs/dbraw/zinc/85/39/10/823853910.db2.gz NRRVIQQQBKMQAM-UHFFFAOYSA-N 0 0 379.445 4.170 20 30 GIEDRN O=C(NC1CC1)c1ccc(CN(CC#Cc2ccccc2)Cc2ccco2)cc1 ZINC000192083762 823854592 /nfs/dbraw/zinc/85/45/92/823854592.db2.gz JIHYUNYJHIWNKZ-UHFFFAOYSA-N 0 0 384.479 4.226 20 30 GIEDRN N#Cc1ccc(-c2nnc(CN[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)o2)cc1 ZINC000192085441 823855286 /nfs/dbraw/zinc/85/52/86/823855286.db2.gz KIEHAQCHSUSEKU-IEBWSBKVSA-N 0 0 398.825 4.021 20 30 GIEDRN N#Cc1ccc(NC(=O)CNc2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000462176497 823855335 /nfs/dbraw/zinc/85/53/35/823855335.db2.gz MMNDJFBATFMXQJ-UHFFFAOYSA-N 0 0 398.182 4.390 20 30 GIEDRN C=CCN(CC=C)C(=O)CNc1cc(Br)cc(C(F)(F)F)c1 ZINC000462178325 823856099 /nfs/dbraw/zinc/85/60/99/823856099.db2.gz CBFMIJHMNMMBNH-UHFFFAOYSA-N 0 0 377.204 4.080 20 30 GIEDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000574907414 823858439 /nfs/dbraw/zinc/85/84/39/823858439.db2.gz CPMOPSVCFRTCEO-INIZCTEOSA-N 0 0 397.544 4.335 20 30 GIEDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000462184311 823859221 /nfs/dbraw/zinc/85/92/21/823859221.db2.gz BLSGZPARCPGWQH-NSHDSACASA-N 0 0 397.347 4.015 20 30 GIEDRN C[C@H](Cc1c(F)cccc1F)NC(=O)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000462184291 823859229 /nfs/dbraw/zinc/85/92/29/823859229.db2.gz BLSGZPARCPGWQH-LLVKDONJSA-N 0 0 397.347 4.015 20 30 GIEDRN C=CCCO[C@H](C)C(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F ZINC000126408766 823859360 /nfs/dbraw/zinc/85/93/60/823859360.db2.gz UYDNTZKFKCFPML-CRAIPNDOSA-N 0 0 395.425 4.190 20 30 GIEDRN C[C@@H]1CN(c2ccc(CNc3ccc(C(F)(F)F)c(C#N)c3)cn2)C[C@H](C)O1 ZINC000165722459 823860982 /nfs/dbraw/zinc/86/09/82/823860982.db2.gz XGEKUJHLSYKWMI-OKILXGFUSA-N 0 0 390.409 4.198 20 30 GIEDRN CCS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 ZINC000574922858 823861278 /nfs/dbraw/zinc/86/12/78/823861278.db2.gz NRGXIEOEWCSQDN-LJQANCHMSA-N 0 0 397.548 4.176 20 30 GIEDRN C[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)c1cccc(C#N)c1 ZINC000462190166 823861926 /nfs/dbraw/zinc/86/19/26/823861926.db2.gz RHTUHALDASSRPX-OLZOCXBDSA-N 0 0 380.835 4.243 20 30 GIEDRN C=CCN(CCOC)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000192111724 823863867 /nfs/dbraw/zinc/86/38/67/823863867.db2.gz PQDBQHUJKHSBOB-UHFFFAOYSA-N 0 0 381.192 4.134 20 30 GIEDRN COc1cc([C@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)ccc1OCCO ZINC000165857719 823864761 /nfs/dbraw/zinc/86/47/61/823864761.db2.gz HXFSAXZWLMYITN-LBPRGKRZSA-N 0 0 380.366 4.130 20 30 GIEDRN N#Cc1cc(NCc2cccc(NC(=O)c3cccc(F)c3)c2)ccc1[N+](=O)[O-] ZINC000165860966 823864923 /nfs/dbraw/zinc/86/49/23/823864923.db2.gz JLEZWLSLOYIOGO-UHFFFAOYSA-N 0 0 390.374 4.470 20 30 GIEDRN C[C@H](C(=O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000462199139 823866202 /nfs/dbraw/zinc/86/62/02/823866202.db2.gz NLZLSTDLRNEBCO-IRXDYDNUSA-N 0 0 381.907 4.221 20 30 GIEDRN C[C@@H](C(=O)NC[C@H](C)Oc1ccccc1Br)c1cccc(C#N)c1 ZINC000462200749 823867371 /nfs/dbraw/zinc/86/73/71/823867371.db2.gz AEXJDSLHAMYHLW-UONOGXRCSA-N 0 0 387.277 4.008 20 30 GIEDRN C=CCOCCCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1CC ZINC000192126863 823868805 /nfs/dbraw/zinc/86/88/05/823868805.db2.gz SJRYTOVRFUEFJJ-UHFFFAOYSA-N 0 0 381.398 4.375 20 30 GIEDRN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1 ZINC000413937405 823871477 /nfs/dbraw/zinc/87/14/77/823871477.db2.gz IYVNCTYJTGAHLS-LBPRGKRZSA-N 0 0 395.484 4.081 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)cc1 ZINC000064725436 823872629 /nfs/dbraw/zinc/87/26/29/823872629.db2.gz MFUNQDCAVFLLSK-UHFFFAOYSA-N 0 0 399.429 4.215 20 30 GIEDRN C=CCNc1ncc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)s1 ZINC000126468020 823875734 /nfs/dbraw/zinc/87/57/34/823875734.db2.gz QIGFWTAHKFIFOX-OAHLLOKOSA-N 0 0 394.500 4.206 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064737700 823876302 /nfs/dbraw/zinc/87/63/02/823876302.db2.gz AILSOSZXLKZCKT-CYBMUJFWSA-N 0 0 392.814 4.369 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000064736597 823876493 /nfs/dbraw/zinc/87/64/93/823876493.db2.gz DFZFLLYYZQOKFS-UHFFFAOYSA-N 0 0 375.403 4.327 20 30 GIEDRN COc1cc(Cl)c(Br)cc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000192140354 823876661 /nfs/dbraw/zinc/87/66/61/823876661.db2.gz JLIZQWNAVBZPMI-UHFFFAOYSA-N 0 0 393.668 4.255 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000064743267 823877710 /nfs/dbraw/zinc/87/77/10/823877710.db2.gz RLPFMQRNJNJEQZ-UHFFFAOYSA-N 0 0 398.513 4.425 20 30 GIEDRN N#Cc1ccccc1-c1ccccc1C(=O)N1CCCN(c2nccs2)CC1 ZINC000064751065 823879810 /nfs/dbraw/zinc/87/98/10/823879810.db2.gz GINWQBVNVBIUGL-UHFFFAOYSA-N 0 0 388.496 4.034 20 30 GIEDRN N#CCc1cccc(OS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)c1 ZINC000192147896 823879896 /nfs/dbraw/zinc/87/98/96/823879896.db2.gz SJLTUSCXCGHOCE-UHFFFAOYSA-N 0 0 391.395 4.050 20 30 GIEDRN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000126482233 823879911 /nfs/dbraw/zinc/87/99/11/823879911.db2.gz JDDKIRKDXCYHKY-MRXNPFEDSA-N 0 0 390.462 4.000 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000413984070 823883180 /nfs/dbraw/zinc/88/31/80/823883180.db2.gz IFBDVSFGIOPUMD-OAHLLOKOSA-N 0 0 386.473 4.243 20 30 GIEDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCCOc1cccc(C#N)c1 ZINC000462229400 823883694 /nfs/dbraw/zinc/88/36/94/823883694.db2.gz DHRHBEADMZRSEB-SFHVURJKSA-N 0 0 377.488 4.372 20 30 GIEDRN CCN(C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1)CC(F)(F)F ZINC000166996966 823885023 /nfs/dbraw/zinc/88/50/23/823885023.db2.gz AIJHTAPGVZGAGE-GFCCVEGCSA-N 0 0 379.348 4.288 20 30 GIEDRN N#Cc1cc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1C(F)(F)F ZINC000167007440 823885614 /nfs/dbraw/zinc/88/56/14/823885614.db2.gz TXMXCHPJNOHGBW-OAHLLOKOSA-N 0 0 387.405 4.223 20 30 GIEDRN O=C(Nn1cnc2ccccc21)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000064786778 823886801 /nfs/dbraw/zinc/88/68/01/823886801.db2.gz DSZKZNZLJRRULB-LBPRGKRZSA-N 0 0 389.242 4.116 20 30 GIEDRN C=CCn1c(Sc2ccnc(Cc3ccccc3)n2)nnc1-c1ccccn1 ZINC000167172418 823887359 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ZINC000181317994 821756065 /nfs/dbraw/zinc/75/60/65/821756065.db2.gz OPSZDCHELJONGR-JTQLQIEISA-N 0 0 390.119 4.047 20 30 GIEDRN COCCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000181344432 821774584 /nfs/dbraw/zinc/77/45/84/821774584.db2.gz MJNWTPPNPBAXGG-INIZCTEOSA-N 0 0 389.455 4.176 20 30 GIEDRN N#Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c[nH]1 ZINC000181344047 821774611 /nfs/dbraw/zinc/77/46/11/821774611.db2.gz OWYSMGGLGCDDQN-SFHVURJKSA-N 0 0 398.235 4.307 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)cc1C(F)(F)F ZINC000181360609 821786529 /nfs/dbraw/zinc/78/65/29/821786529.db2.gz CRQNJZVBWVAGQE-UHFFFAOYSA-N 0 0 378.734 4.170 20 30 GIEDRN Cn1cc(/C=C/C(=O)c2ccc(C(F)(F)F)[nH]c2=O)c(C2CCCCC2)n1 ZINC000181430915 821823578 /nfs/dbraw/zinc/82/35/78/821823578.db2.gz VSHABAOIGNGHNM-VQHVLOKHSA-N 0 0 379.382 4.071 20 30 GIEDRN C=CCN(C(=O)Cc1ccc2c(c1)NC(=O)C2)c1nc(-c2ccccc2)cs1 ZINC000181491649 821850414 /nfs/dbraw/zinc/85/04/14/821850414.db2.gz ISJLEDUNLPVPGD-UHFFFAOYSA-N 0 0 389.480 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/nfs/dbraw/zinc/07/73/54/822077354.db2.gz IJZXDSPKWXDXDN-UHFFFAOYSA-N 0 0 387.487 4.214 20 30 GIEDRN Cc1sc2ncnc(SCC(=O)Nc3ccccc3O[C@@H](C)C#N)c2c1C ZINC000182078205 822084154 /nfs/dbraw/zinc/08/41/54/822084154.db2.gz NFURVINOLJGWJI-NSHDSACASA-N 0 0 398.513 4.330 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000182109995 822097741 /nfs/dbraw/zinc/09/77/41/822097741.db2.gz QPBIVDWILSDUGA-SNVBAGLBSA-N 0 0 379.294 4.157 20 30 GIEDRN C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000182145446 822116403 /nfs/dbraw/zinc/11/64/03/822116403.db2.gz PHPZCSGTTKUFKX-DFUXMWMPSA-N 0 0 378.472 4.278 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000182168452 822128336 /nfs/dbraw/zinc/12/83/36/822128336.db2.gz RKTYGVAHBGZPMY-HXUWFJFHSA-N 0 0 386.451 4.247 20 30 GIEDRN N#Cc1ccccc1Oc1ccccc1C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000182244930 822166067 /nfs/dbraw/zinc/16/60/67/822166067.db2.gz DUKCQZAZPAQVSH-GOSISDBHSA-N 0 0 397.434 4.206 20 30 GIEDRN N#Cc1ccc(CSc2nnc(C3CC3)n2C2CC2)c(Br)c1 ZINC000182254999 822171149 /nfs/dbraw/zinc/17/11/49/822171149.db2.gz WQXFJKQMTLALFV-UHFFFAOYSA-N 0 0 375.295 4.417 20 30 GIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1(C)CCOCC1 ZINC000182304877 822195306 /nfs/dbraw/zinc/19/53/06/822195306.db2.gz LBFJQZWTVVTBSY-UHFFFAOYSA-N 0 0 379.460 4.136 20 30 GIEDRN CC[C@@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1c(C)noc1C ZINC000182412747 822234074 /nfs/dbraw/zinc/23/40/74/822234074.db2.gz WFXXAASSHATNGI-XJKSGUPXSA-N 0 0 386.521 4.365 20 30 GIEDRN CC(=O)c1ccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)nc1C ZINC000182496036 822267061 /nfs/dbraw/zinc/26/70/61/822267061.db2.gz CNHMZFREULXXOC-UHFFFAOYSA-N 0 0 385.423 4.187 20 30 GIEDRN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000177989113 822271792 /nfs/dbraw/zinc/27/17/92/822271792.db2.gz WNQFBLMXFUCGFL-UHFFFAOYSA-N 0 0 392.436 4.238 20 30 GIEDRN CC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1c(C)noc1C ZINC000182510058 822274981 /nfs/dbraw/zinc/27/49/81/822274981.db2.gz DZDOHJMDOYDNCG-GOSISDBHSA-N 0 0 388.899 4.241 20 30 GIEDRN N#Cc1ccc(Cn2cnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000178000872 822277190 /nfs/dbraw/zinc/27/71/90/822277190.db2.gz HLWIJTIHDYYQTQ-UHFFFAOYSA-N 0 0 393.450 4.046 20 30 GIEDRN CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2OCC#N)cn1 ZINC000178021681 822286233 /nfs/dbraw/zinc/28/62/33/822286233.db2.gz YIWVUAJAASMAFW-UHFFFAOYSA-N 0 0 376.391 4.143 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000182545865 822294896 /nfs/dbraw/zinc/29/48/96/822294896.db2.gz NUGLGFAFQWEMHA-JKSUJKDBSA-N 0 0 381.501 4.307 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000182555139 822299536 /nfs/dbraw/zinc/29/95/36/822299536.db2.gz LMILSKZMJNPDHB-LBPRGKRZSA-N 0 0 377.416 4.343 20 30 GIEDRN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000182561465 822303696 /nfs/dbraw/zinc/30/36/96/822303696.db2.gz PFHPKKKMROSXDW-MRXNPFEDSA-N 0 0 399.454 4.411 20 30 GIEDRN COC(=O)c1cc(NC(=O)N(CCC#N)CCC(C)C)ccc1Br ZINC000182587032 822313169 /nfs/dbraw/zinc/31/31/69/822313169.db2.gz XSNOGSBAFBVJFI-UHFFFAOYSA-N 0 0 396.285 4.029 20 30 GIEDRN O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1ccc(F)cc1F ZINC000182612753 822322764 /nfs/dbraw/zinc/32/27/64/822322764.db2.gz DVIAFJBZBSOAKL-HNNXBMFYSA-N 0 0 380.263 4.075 20 30 GIEDRN N#Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)c(OC(F)F)c3)C2=O)cc1 ZINC000182614267 822323220 /nfs/dbraw/zinc/32/32/20/822323220.db2.gz OFWVTGLDYRWHSS-OAHLLOKOSA-N 0 0 377.778 4.030 20 30 GIEDRN N#Cc1ccc(-c2nnc(CNc3ccc(Cl)c(OC(F)F)c3)o2)cc1 ZINC000182615244 822323445 /nfs/dbraw/zinc/32/34/45/822323445.db2.gz ZBCKMLSHOCFQKN-UHFFFAOYSA-N 0 0 376.750 4.475 20 30 GIEDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000178150906 822334120 /nfs/dbraw/zinc/33/41/20/822334120.db2.gz BNTXHBYJUBDRAV-AWEZNQCLSA-N 0 0 398.438 4.034 20 30 GIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000182644080 822336456 /nfs/dbraw/zinc/33/64/56/822336456.db2.gz JMWJSEBWNIEULH-GFCCVEGCSA-N 0 0 382.411 4.482 20 30 GIEDRN Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)CCCC(C)(C)C#N ZINC000178161375 822337618 /nfs/dbraw/zinc/33/76/18/822337618.db2.gz RXSNYJJMTJEBDW-UHFFFAOYSA-N 0 0 393.940 4.138 20 30 GIEDRN N#Cc1cc2c(nc1NC(=O)CCc1ncc(-c3ccccc3F)o1)CCCC2 ZINC000182658976 822341911 /nfs/dbraw/zinc/34/19/11/822341911.db2.gz LGWKNJYWEMXVCK-UHFFFAOYSA-N 0 0 390.418 4.197 20 30 GIEDRN CCOc1ccccc1OCCCC(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000182662170 822343533 /nfs/dbraw/zinc/34/35/33/822343533.db2.gz GLWUWZLFCFOTSY-UHFFFAOYSA-N 0 0 379.460 4.028 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000178189146 822347251 /nfs/dbraw/zinc/34/72/51/822347251.db2.gz JNKFADQTOOHYAJ-UHFFFAOYSA-N 0 0 398.260 4.382 20 30 GIEDRN COCCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2s1 ZINC000182693202 822352993 /nfs/dbraw/zinc/35/29/93/822352993.db2.gz SOVNEXATTXNDES-UHFFFAOYSA-N 0 0 377.469 4.145 20 30 GIEDRN N#CC(C(=O)NC1CCCC1)=C(O)C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000178221892 822355492 /nfs/dbraw/zinc/35/54/92/822355492.db2.gz LSCLCODIHUYGQQ-BUYRESAOSA-N 0 0 384.785 4.053 20 30 GIEDRN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000178230736 822356646 /nfs/dbraw/zinc/35/66/46/822356646.db2.gz HDWINUMFXZQQGU-INIZCTEOSA-N 0 0 388.423 4.466 20 30 GIEDRN COc1cccc(-c2nc(CSc3nnc(C)c(C)c3C#N)cs2)c1OC ZINC000182717452 822357315 /nfs/dbraw/zinc/35/73/15/822357315.db2.gz AYSZSEHIFOHVSB-UHFFFAOYSA-N 0 0 398.513 4.398 20 30 GIEDRN C[C@H](C#N)CNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000182724371 822358016 /nfs/dbraw/zinc/35/80/16/822358016.db2.gz QDOQGTACJMOSJJ-MNOVXSKESA-N 0 0 393.310 4.092 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC=C(c2c(F)cccc2F)CC1 ZINC000453415143 822359696 /nfs/dbraw/zinc/35/96/96/822359696.db2.gz QZZUALXPOLIWRL-KSSFIOAISA-N 0 0 386.446 4.276 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000453416202 822359953 /nfs/dbraw/zinc/35/99/53/822359953.db2.gz VBHRBJGMTUXGOF-DBVUQKKJSA-N 0 0 382.508 4.444 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000453438011 822362752 /nfs/dbraw/zinc/36/27/52/822362752.db2.gz JSDNAZBKXJWEEF-AZUAARDMSA-N 0 0 398.507 4.064 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000453436449 822362804 /nfs/dbraw/zinc/36/28/04/822362804.db2.gz HZRVCJLYUMAESW-XLIONFOSSA-N 0 0 390.890 4.434 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000453438563 822362971 /nfs/dbraw/zinc/36/29/71/822362971.db2.gz KMALFMFTGZKKLP-LLVKDONJSA-N 0 0 398.351 4.027 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000453439144 822363196 /nfs/dbraw/zinc/36/31/96/822363196.db2.gz LJFQUEBVUJQNNK-OAQYLSRUSA-N 0 0 396.535 4.173 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453439075 822363237 /nfs/dbraw/zinc/36/32/37/822363237.db2.gz LAXFOPPYECSHTD-BQJUDKOJSA-N 0 0 378.520 4.478 20 30 GIEDRN C=CCn1c([C@H]2CCCCO2)nnc1N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000453446953 822364365 /nfs/dbraw/zinc/36/43/65/822364365.db2.gz WTOSJXFNIXQCKJ-LJQANCHMSA-N 0 0 397.910 4.334 20 30 GIEDRN C=CCn1c(N2CC[C@@](F)(c3cccc(Cl)c3)C2)nnc1[C@@]1(C)CCCO1 ZINC000453448016 822364514 /nfs/dbraw/zinc/36/45/14/822364514.db2.gz XRYXKQCTJAIQGJ-UXHICEINSA-N 0 0 390.890 4.218 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000453449009 822364755 /nfs/dbraw/zinc/36/47/55/822364755.db2.gz DETSFDKNQFSVKU-SFHVURJKSA-N 0 0 380.536 4.436 20 30 GIEDRN C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCCC[C@@H]1COC ZINC000453449645 822365076 /nfs/dbraw/zinc/36/50/76/822365076.db2.gz FLQPOZFCYJDQRB-HKBOAZHASA-N 0 0 396.535 4.105 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H](COC)CC1 ZINC000453449969 822365119 /nfs/dbraw/zinc/36/51/19/822365119.db2.gz GPIXARIAHMKQEE-FHWLQOOXSA-N 0 0 390.572 4.026 20 30 GIEDRN C=C(C)Cn1c(N2CCC3(CC2)OCCc2ccccc23)nnc1C(C)(C)C ZINC000453452726 822366176 /nfs/dbraw/zinc/36/61/76/822366176.db2.gz MYOCLGJUPPFXNN-UHFFFAOYSA-N 0 0 380.536 4.220 20 30 GIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453452703 822366251 /nfs/dbraw/zinc/36/62/51/822366251.db2.gz MXILDEAMJQCSPU-HSZRJFAPSA-N 0 0 391.519 4.020 20 30 GIEDRN C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC000453453944 822366621 /nfs/dbraw/zinc/36/66/21/822366621.db2.gz VYEAWPCQMCBKCT-LJQANCHMSA-N 0 0 398.576 4.318 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CC[C@H](C)O2)n1CC(=C)C ZINC000453456561 822367467 /nfs/dbraw/zinc/36/74/67/822367467.db2.gz GTRNOUMUPNZWAK-LPHOPBHVSA-N 0 0 397.479 4.195 20 30 GIEDRN C=CCOc1ccc(-c2nnc(SCc3nc4ccccc4n3C)o2)cc1 ZINC000178332099 822368149 /nfs/dbraw/zinc/36/81/49/822368149.db2.gz NRGAHCSRMIJGPA-UHFFFAOYSA-N 0 0 378.457 4.480 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000453461083 822368839 /nfs/dbraw/zinc/36/88/39/822368839.db2.gz NSQBDQOTBMOVCA-TYPHKJRUSA-N 0 0 395.551 4.199 20 30 GIEDRN C=C(C)Cn1c(N2CCC(F)(c3ccccc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453461208 822368849 /nfs/dbraw/zinc/36/88/49/822368849.db2.gz GAGQOMBRYSTHOT-OAQYLSRUSA-N 0 0 384.499 4.345 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000453464131 822369694 /nfs/dbraw/zinc/36/96/94/822369694.db2.gz KFRMEWIVWPXBLF-IEBWSBKVSA-N 0 0 384.549 4.324 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(Cc2ccccc2F)CC1 ZINC000453464974 822369896 /nfs/dbraw/zinc/36/98/96/822369896.db2.gz MIFCMWBTYAHCOL-FQEVSTJZSA-N 0 0 384.499 4.304 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC000453465681 822370329 /nfs/dbraw/zinc/37/03/29/822370329.db2.gz NMSVDCGMJVXBNS-OAQYLSRUSA-N 0 0 395.551 4.039 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1csc(Br)c1 ZINC000453465824 822370337 /nfs/dbraw/zinc/37/03/37/822370337.db2.gz NFKMCHJXQODDRF-CYBMUJFWSA-N 0 0 397.342 4.166 20 30 GIEDRN CCc1ccc(CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C2CC2)cc1 ZINC000045200345 822370436 /nfs/dbraw/zinc/37/04/36/822370436.db2.gz FDAUEDIEBGVKQQ-UHFFFAOYSA-N 0 0 378.520 4.100 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453466388 822370523 /nfs/dbraw/zinc/37/05/23/822370523.db2.gz PCNNPLRMWSMUAG-ZJOUEHCJSA-N 0 0 396.535 4.487 20 30 GIEDRN C=C(C)Cn1c(N(C)[C@@H]2C[C@H](OCC)C23CCCC3)nnc1[C@]1(C)CCCO1 ZINC000453466531 822370664 /nfs/dbraw/zinc/37/06/64/822370664.db2.gz OIHWVVAKQIAZGF-LQWHRVPQSA-N 0 0 388.556 4.054 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000453467787 822371045 /nfs/dbraw/zinc/37/10/45/822371045.db2.gz RUSKAKWQADGFGD-FHWLQOOXSA-N 0 0 388.556 4.270 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCCOCc1ccccc1 ZINC000453468656 822371234 /nfs/dbraw/zinc/37/12/34/822371234.db2.gz VJODIDGJIXAUKG-FQEVSTJZSA-N 0 0 384.524 4.139 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000045233120 822371652 /nfs/dbraw/zinc/37/16/52/822371652.db2.gz XGGGKZTXHYLYCV-FQEVSTJZSA-N 0 0 378.451 4.046 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000045239269 822372379 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GIEDRN COc1cc(C#N)ccc1OC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000021385092 818682839 /nfs/dbraw/zinc/68/28/39/818682839.db2.gz PNDUYUSSRGVCMH-UHFFFAOYSA-N 0 0 382.803 4.413 20 30 GIEDRN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)o1 ZINC000189127953 823361609 /nfs/dbraw/zinc/36/16/09/823361609.db2.gz BZWJTBZALYPGHM-UHFFFAOYSA-N 0 0 394.475 4.031 20 30 GIEDRN C=CCc1ccc(OC[C@@H](O)Cn2c(CCC)nc3ccccc32)c(OC)c1 ZINC000021473938 818692135 /nfs/dbraw/zinc/69/21/35/818692135.db2.gz SIQKLVGXQZXPPP-SFHVURJKSA-N 0 0 380.488 4.166 20 30 GIEDRN CCOc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 ZINC000021514586 818698255 /nfs/dbraw/zinc/69/82/55/818698255.db2.gz DNQTYRSTYLBSRG-UHFFFAOYSA-N 0 0 395.406 4.410 20 30 GIEDRN CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000021545704 818701878 /nfs/dbraw/zinc/70/18/78/818701878.db2.gz RQFBSDWRQABFKX-ZDUSSCGKSA-N 0 0 394.456 4.126 20 30 GIEDRN N#C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)C1CC1 ZINC000177040130 823357095 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C[C@@H](OC(=O)CCc1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000021694054 818727061 /nfs/dbraw/zinc/72/70/61/818727061.db2.gz LEQRRYYWZOZMQD-MRXNPFEDSA-N 0 0 384.863 4.151 20 30 GIEDRN COc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000021831161 818742454 /nfs/dbraw/zinc/74/24/54/818742454.db2.gz MBUAUFNFOPSGLP-GAJHUEQPSA-N 0 0 386.451 4.240 20 30 GIEDRN CC(C)CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cn1 ZINC000572553705 823359640 /nfs/dbraw/zinc/35/96/40/823359640.db2.gz RIVNGDIUFWZDMK-UHFFFAOYSA-N 0 0 393.516 4.462 20 30 GIEDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000177053500 823360411 /nfs/dbraw/zinc/36/04/11/823360411.db2.gz GNZHUXWJKDNFES-GFCCVEGCSA-N 0 0 381.461 4.030 20 30 GIEDRN C[C@H](Nc1cc(C#N)ncn1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000572558366 823360678 /nfs/dbraw/zinc/36/06/78/823360678.db2.gz UTNILZQHSLTIQD-JTQLQIEISA-N 0 0 386.278 4.407 20 30 GIEDRN C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000058025474 823355637 /nfs/dbraw/zinc/35/56/37/823355637.db2.gz 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C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2cc(F)ccc2C1 ZINC000460369333 823366245 /nfs/dbraw/zinc/36/62/45/823366245.db2.gz LKOGNJCHEHUVHY-UHFFFAOYSA-N 0 0 380.442 4.286 20 30 GIEDRN C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000460369379 823366482 /nfs/dbraw/zinc/36/64/82/823366482.db2.gz IRSMZTQMFDMXDW-ZJOUEHCJSA-N 0 0 398.551 4.269 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)NCc2cccs2)nnc1-c1ccc(C)cc1 ZINC000122486545 823361720 /nfs/dbraw/zinc/36/17/20/823361720.db2.gz AZQKKFWYRHDMOV-HNNXBMFYSA-N 0 0 398.557 4.298 20 30 GIEDRN COCCN(C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000460353615 823361801 /nfs/dbraw/zinc/36/18/01/823361801.db2.gz ZTEOCJJIPOAMKW-CYBMUJFWSA-N 0 0 393.270 4.312 20 30 GIEDRN Cc1ccc2sc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2c1 ZINC000572565456 823361932 /nfs/dbraw/zinc/36/19/32/823361932.db2.gz XLKYWPWVMANFMD-UHFFFAOYSA-N 0 0 375.497 4.039 20 30 GIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc(Cl)cc1)C1CC1 ZINC000460373913 823368157 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N#C[C@H](NC(=O)Cc1c(F)ccc(Br)c1F)c1ccccc1Cl ZINC000410004143 823368999 /nfs/dbraw/zinc/36/89/99/823368999.db2.gz OXORIARNZNPOSC-AWEZNQCLSA-N 0 0 399.622 4.304 20 30 GIEDRN C=CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccoc1C ZINC000022824355 818864881 /nfs/dbraw/zinc/86/48/81/818864881.db2.gz BPAYCIGBZOWCDT-UHFFFAOYSA-N 0 0 396.516 4.092 20 30 GIEDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000410005237 823369288 /nfs/dbraw/zinc/36/92/88/823369288.db2.gz WCAAMSKOJKWAJN-UHFFFAOYSA-N 0 0 386.415 4.034 20 30 GIEDRN C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000460377607 823369311 /nfs/dbraw/zinc/36/93/11/823369311.db2.gz UTPZNLMGDRZXII-DOMZBBRYSA-N 0 0 395.385 4.207 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C[C@@H](C)OC)C(C)C ZINC000460378134 823369625 /nfs/dbraw/zinc/36/96/25/823369625.db2.gz WIRMTZJCFRAEML-IAGOWNOFSA-N 0 0 390.503 4.383 20 30 GIEDRN CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000022919670 818877077 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N#Cc1ccsc1N1CC[C@H](N[C@@H](c2ccccc2)c2cccc(F)c2)C1=O ZINC000122557121 823372202 /nfs/dbraw/zinc/37/22/02/823372202.db2.gz VRPOFDVARSMOSA-PMACEKPBSA-N 0 0 391.471 4.243 20 30 GIEDRN Cc1ccc(SC2(CNC(=O)Nc3ccn(CCC#N)n3)CCCC2)cc1 ZINC000177105663 823372868 /nfs/dbraw/zinc/37/28/68/823372868.db2.gz PSGOCTWDBQAFKR-UHFFFAOYSA-N 0 0 383.521 4.332 20 30 GIEDRN C=CCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nnc1C1CC1 ZINC000023273550 818919219 /nfs/dbraw/zinc/91/92/19/818919219.db2.gz YODCXFRYCIDXNU-GOSISDBHSA-N 0 0 384.549 4.337 20 30 GIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)c(F)c3)s2)cc1 ZINC000023294605 818922097 /nfs/dbraw/zinc/92/20/97/818922097.db2.gz FKNNHLLGIBJXJG-UHFFFAOYSA-N 0 0 388.424 4.233 20 30 GIEDRN N#Cc1cccc(OCCCCC(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000122567604 823374110 /nfs/dbraw/zinc/37/41/10/823374110.db2.gz DBGJCLFMCQRYQH-UHFFFAOYSA-N 0 0 388.427 4.328 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nc2ccccc2c1=O ZINC000023348671 818926212 /nfs/dbraw/zinc/92/62/12/818926212.db2.gz GYOZSAHVNHUWMS-MRXNPFEDSA-N 0 0 393.512 4.319 20 30 GIEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000122572470 823375029 /nfs/dbraw/zinc/37/50/29/823375029.db2.gz NOKOYQORYNVHBW-IIBYNOLFSA-N 0 0 391.471 4.231 20 30 GIEDRN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SC[C@@H]1CC1(Cl)Cl ZINC000023460184 818943235 /nfs/dbraw/zinc/94/32/35/818943235.db2.gz RQJKNHYSSBRYIK-NSHDSACASA-N 0 0 393.299 4.074 20 30 GIEDRN C[C@@H](CC(=O)OCc1ccc(-c2ccccc2C#N)cc1)NC(=O)c1ccccc1 ZINC000023464086 818943842 /nfs/dbraw/zinc/94/38/42/818943842.db2.gz JFHAOCXMGKRMOC-SFHVURJKSA-N 0 0 398.462 4.477 20 30 GIEDRN COc1cccc(Cc2cnc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)s2)c1 ZINC000023488472 818946702 /nfs/dbraw/zinc/94/67/02/818946702.db2.gz VHYQSOYWFBIYDT-AWEZNQCLSA-N 0 0 393.468 4.020 20 30 GIEDRN C=C(C)Cn1c(C2CCC2)nnc1N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000460395934 823375434 /nfs/dbraw/zinc/37/54/34/823375434.db2.gz WHUBUMKQQGQAMA-IBGZPJMESA-N 0 0 382.508 4.480 20 30 GIEDRN Cc1ccc(C2=NN(C(=O)COc3cccc(C#N)c3)[C@H](c3ccco3)C2)cc1 ZINC000023510844 818951688 /nfs/dbraw/zinc/95/16/88/818951688.db2.gz BKMUFMIQYGETMH-NRFANRHFSA-N 0 0 385.423 4.216 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1C1CC1 ZINC000023517163 818953544 /nfs/dbraw/zinc/95/35/44/818953544.db2.gz FFKDNUMPJHLDQV-STQMWFEESA-N 0 0 390.940 4.353 20 30 GIEDRN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSC2(CCCCC2)C1 ZINC000572656152 823377091 /nfs/dbraw/zinc/37/70/91/823377091.db2.gz SGVYIBGOTUBILV-UHFFFAOYSA-N 0 0 397.548 4.005 20 30 GIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2cccc3cccnc32)n1CCc1ccccc1 ZINC000460406827 823378752 /nfs/dbraw/zinc/37/87/52/823378752.db2.gz DDRCIOCBCFRKBR-SFHVURJKSA-N 0 0 396.498 4.474 20 30 GIEDRN CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc3c(c2)nc(C(F)F)n3C)cc1 ZINC000572659986 823377691 /nfs/dbraw/zinc/37/76/91/823377691.db2.gz WMXMXYXNOYGXCU-SFHVURJKSA-N 0 0 382.414 4.410 20 30 GIEDRN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(C2CC2)nc2ccccc21 ZINC000023907867 818993105 /nfs/dbraw/zinc/99/31/05/818993105.db2.gz QNMAQWHLYNEKBS-UHFFFAOYSA-N 0 0 394.500 4.037 20 30 GIEDRN CCc1ccc([C@@H](C#N)N(C)C(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 ZINC000572668852 823379210 /nfs/dbraw/zinc/37/92/10/823379210.db2.gz BZMUIJWRGKXJCU-JOCHJYFZSA-N 0 0 380.536 4.374 20 30 GIEDRN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O ZINC000024021486 819009792 /nfs/dbraw/zinc/00/97/92/819009792.db2.gz YFHSZZVVWCLGGT-UHFFFAOYSA-N 0 0 375.211 4.028 20 30 GIEDRN N#Cc1cccc(NC(=O)CSCCOc2cccc(Br)c2)c1 ZINC000024066694 819017514 /nfs/dbraw/zinc/01/75/14/819017514.db2.gz LXSHEOMHTGWDHM-UHFFFAOYSA-N 0 0 391.290 4.071 20 30 GIEDRN CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000410071710 823383987 /nfs/dbraw/zinc/38/39/87/823383987.db2.gz IZMZITVWOVSCCR-BXTJHSDWSA-N 0 0 376.460 4.105 20 30 GIEDRN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCn3cccc3[C@@H]2C)c1C#N ZINC000024283744 819042557 /nfs/dbraw/zinc/04/25/57/819042557.db2.gz HSJWPWPJYLRNQK-SFHVURJKSA-N 0 0 393.535 4.299 20 30 GIEDRN Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c(C)c1C ZINC000024367357 819051230 /nfs/dbraw/zinc/05/12/30/819051230.db2.gz NZZJPTJUPOTSKU-ZIAGYGMSSA-N 0 0 385.455 4.208 20 30 GIEDRN CCCc1sc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1CC ZINC000024380009 819052642 /nfs/dbraw/zinc/05/26/42/819052642.db2.gz MEPCSNWCDBVQIB-IBGZPJMESA-N 0 0 399.535 4.425 20 30 GIEDRN CCCCc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000024382176 819052751 /nfs/dbraw/zinc/05/27/51/819052751.db2.gz KGKFGMJQXFBFMA-QFIPXVFZSA-N 0 0 379.479 4.191 20 30 GIEDRN Cc1c2ccccc2sc1C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000024420012 819055483 /nfs/dbraw/zinc/05/54/83/819055483.db2.gz XNWPMROINTXRCD-CQSZACIVSA-N 0 0 379.437 4.275 20 30 GIEDRN Cc1cccc(CSCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000024506056 819066291 /nfs/dbraw/zinc/06/62/91/819066291.db2.gz PKRVFYLIGIVKGY-UHFFFAOYSA-N 0 0 377.431 4.415 20 30 GIEDRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024507936 819066716 /nfs/dbraw/zinc/06/67/16/819066716.db2.gz LDEDMVNVUWYKIL-UHFFFAOYSA-N 0 0 399.412 4.325 20 30 GIEDRN Cc1ccccc1-n1ccnc1SCC(=O)N(CCC#N)c1ccccc1 ZINC000024525427 819067779 /nfs/dbraw/zinc/06/77/79/819067779.db2.gz ATVBPHFSHUTOCM-UHFFFAOYSA-N 0 0 376.485 4.220 20 30 GIEDRN C[C@@H](CC#N)N(C)c1nnc(Cn2ccc3ccccc32)n1CCc1ccccc1 ZINC000460430710 823386726 /nfs/dbraw/zinc/38/67/26/823386726.db2.gz PNXABULEVNHSFY-IBGZPJMESA-N 0 0 398.514 4.262 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccccc1SC ZINC000410085558 823386915 /nfs/dbraw/zinc/38/69/15/823386915.db2.gz HUOHOXLSGOLGAY-MRXNPFEDSA-N 0 0 383.517 4.199 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058412207 823387386 /nfs/dbraw/zinc/38/73/86/823387386.db2.gz IPIQEFDIYFHSCN-UHFFFAOYSA-N 0 0 377.366 4.258 20 30 GIEDRN N#Cc1ccccc1N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000122648271 823387500 /nfs/dbraw/zinc/38/75/00/823387500.db2.gz PRVWJVXUSVAMAN-UHFFFAOYSA-N 0 0 375.259 4.219 20 30 GIEDRN CSc1ccccc1[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000410088938 823387586 /nfs/dbraw/zinc/38/75/86/823387586.db2.gz RGWMMCUOCZXBQU-OAHLLOKOSA-N 0 0 398.507 4.012 20 30 GIEDRN C=CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)CC1CCCCC1 ZINC000177163991 823387752 /nfs/dbraw/zinc/38/77/52/823387752.db2.gz LXFNMCRRKLPLMQ-UHFFFAOYSA-N 0 0 386.565 4.089 20 30 GIEDRN Cc1ccc2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)[nH]c2c1 ZINC000572746474 823392033 /nfs/dbraw/zinc/39/20/33/823392033.db2.gz AGHKAZPZEUBSEH-UHFFFAOYSA-N 0 0 377.419 4.171 20 30 GIEDRN CN(CCC#N)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000177181030 823392686 /nfs/dbraw/zinc/39/26/86/823392686.db2.gz KJQHPXFZSNXDNC-LJQANCHMSA-N 0 0 393.314 4.306 20 30 GIEDRN COc1ccc(Br)cc1CN(C)C(=O)Nc1cc(C#N)ccc1C ZINC000058453613 823393920 /nfs/dbraw/zinc/39/39/20/823393920.db2.gz UQTRHOBUQWOPRX-UHFFFAOYSA-N 0 0 388.265 4.302 20 30 GIEDRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)COc1ccc(C#N)cc1OC ZINC000460450164 823393210 /nfs/dbraw/zinc/39/32/10/823393210.db2.gz 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C=C(C)Cn1c(C2CC2)nnc1N(Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000460554897 823430654 /nfs/dbraw/zinc/43/06/54/823430654.db2.gz DNTHOUNKDLIOKY-UHFFFAOYSA-N 0 0 396.926 4.325 20 30 GIEDRN C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000460556137 823431374 /nfs/dbraw/zinc/43/13/74/823431374.db2.gz GUXHEOJDECFMQT-SFHVURJKSA-N 0 0 397.567 4.099 20 30 GIEDRN C=C(C)Cn1c(-c2cccn2C)nnc1N1CC=C(c2cccc(OC)c2)CC1 ZINC000460556504 823431674 /nfs/dbraw/zinc/43/16/74/823431674.db2.gz HPYATJUNLAJGNS-UHFFFAOYSA-N 0 0 389.503 4.162 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCSC[C@H]1C ZINC000460558167 823432256 /nfs/dbraw/zinc/43/22/56/823432256.db2.gz JVIQEHWXKLIIKD-CYBMUJFWSA-N 0 0 378.929 4.125 20 30 GIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H](C)CCSC ZINC000460559997 823432923 /nfs/dbraw/zinc/43/29/23/823432923.db2.gz BFGXTRFRAZEJHN-CQSZACIVSA-N 0 0 375.498 4.007 20 30 GIEDRN C[C@H]1SCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1C ZINC000573010679 823433058 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CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2cccc(F)c2C1 ZINC000460637523 823463185 /nfs/dbraw/zinc/46/31/85/823463185.db2.gz SALIWKMXYPRYKH-UHFFFAOYSA-N 0 0 375.451 4.175 20 30 GIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1nc2ccccc2s1 ZINC000027405810 820241185 /nfs/dbraw/zinc/24/11/85/820241185.db2.gz ZVTOZBSENHATPS-GFCCVEGCSA-N 0 0 396.541 4.177 20 30 GIEDRN Cc1nn(-c2ccccc2)c(COC(=O)COc2ccccc2C(C)C)c1C#N ZINC000027417490 820242171 /nfs/dbraw/zinc/24/21/71/820242171.db2.gz DGMUWVIUXIBDJY-UHFFFAOYSA-N 0 0 389.455 4.298 20 30 GIEDRN Cc1ccc(C(=O)C(C(=S)N[C@H]2CCCC[C@@H]2C)[n+]2cccc([O-])c2)s1 ZINC000027486086 820251009 /nfs/dbraw/zinc/25/10/09/820251009.db2.gz HALCXBYOQUXLCJ-BBRMVZONSA-O 0 0 389.566 4.157 20 30 GIEDRN N#CCC[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189638552 823464538 /nfs/dbraw/zinc/46/45/38/823464538.db2.gz SPIQZGJLIBYPDB-HXUWFJFHSA-N 0 0 375.472 4.309 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)COc3cc(F)cc(F)c3)c2)c1 ZINC000573254356 823471188 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C=CCCc1ccccc1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C ZINC000410353490 823471498 /nfs/dbraw/zinc/47/14/98/823471498.db2.gz NMDHKYPYDKXIAM-UHFFFAOYSA-N 0 0 389.503 4.196 20 30 GIEDRN N#Cc1cc(F)cc(OCc2nc(-c3ccc(Br)s3)no2)c1 ZINC000573239247 823469542 /nfs/dbraw/zinc/46/95/42/823469542.db2.gz FHVJJCXIRWTTLL-UHFFFAOYSA-N 0 0 380.198 4.150 20 30 GIEDRN C=C(C)CN(CC)C(=O)[C@H](C)Sc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000028283163 820322809 /nfs/dbraw/zinc/32/28/09/820322809.db2.gz PDNOYBCCYAMLAU-HNNXBMFYSA-N 0 0 397.544 4.032 20 30 GIEDRN C=C[C@H](CO)NC(=O)N[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000460666792 823471562 /nfs/dbraw/zinc/47/15/62/823471562.db2.gz GQUPKHSDGKMQLW-BXUZGUMPSA-N 0 0 384.423 4.341 20 30 GIEDRN C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000028358004 820329148 /nfs/dbraw/zinc/32/91/48/820329148.db2.gz NLQOZHMGCHLGCH-INIZCTEOSA-N 0 0 383.444 4.061 20 30 GIEDRN C=C(Cl)COC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000028359790 820329377 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N#CCSc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)c1 ZINC000175714516 823025782 /nfs/dbraw/zinc/02/57/82/823025782.db2.gz PPQCMKCRPOQPPH-UHFFFAOYSA-N 0 0 388.452 4.202 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000570324706 823025987 /nfs/dbraw/zinc/02/59/87/823025987.db2.gz XOAFCROGACBXHN-UHFFFAOYSA-N 0 0 399.494 4.253 20 30 GIEDRN CCc1nc(Cc2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)cs1 ZINC000570326656 823026119 /nfs/dbraw/zinc/02/61/19/823026119.db2.gz XEKPPGAGGBTWDA-UHFFFAOYSA-N 0 0 392.440 4.390 20 30 GIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000570327952 823026310 /nfs/dbraw/zinc/02/63/10/823026310.db2.gz IXCBTWJUJDNXFD-RIFZZMRRSA-N 0 0 396.491 4.022 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000175745290 823030878 /nfs/dbraw/zinc/03/08/78/823030878.db2.gz CWNWXXYMUWWBAU-UHFFFAOYSA-N 0 0 388.471 4.413 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccn(Cc2ccncc2)n1)c1ccc(F)c(F)c1 ZINC000187255066 823031224 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CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000164735770 823817714 /nfs/dbraw/zinc/81/77/14/823817714.db2.gz AOCXNIHWRZJCHR-UHFFFAOYSA-N 0 0 394.471 4.239 20 30 GIEDRN N#Cc1cnc2c(Cl)cccc2c1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000574752578 823818701 /nfs/dbraw/zinc/81/87/01/823818701.db2.gz ZANKYSDVUGVFGW-UHFFFAOYSA-N 0 0 396.922 4.425 20 30 GIEDRN C=CCn1c(CC(F)(F)F)nnc1N1CCC(c2cccc(F)c2F)CC1 ZINC000574756431 823819718 /nfs/dbraw/zinc/81/97/18/823819718.db2.gz WNMRNFSTAVCQEV-UHFFFAOYSA-N 0 0 386.368 4.231 20 30 GIEDRN N#CC1(CS(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000164779193 823819850 /nfs/dbraw/zinc/81/98/50/823819850.db2.gz HAGZYMZSFLNHKV-KRWDZBQOSA-N 0 0 395.311 4.306 20 30 GIEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000462075504 823820704 /nfs/dbraw/zinc/82/07/04/823820704.db2.gz OOVQBQQPLLUTRH-XYPYZODXSA-N 0 0 387.313 4.151 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064455471 823821962 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CC[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccc(Cl)s1 ZINC000462097355 823826935 /nfs/dbraw/zinc/82/69/35/823826935.db2.gz PLRKPRHVPIHJQG-CYBMUJFWSA-N 0 0 386.868 4.127 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)o2)cc1 ZINC000126279429 823827940 /nfs/dbraw/zinc/82/79/40/823827940.db2.gz SDOOADORYKHFRZ-INIZCTEOSA-N 0 0 389.521 4.333 20 30 GIEDRN COCCOc1ccc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)cc1OC ZINC000126281512 823828529 /nfs/dbraw/zinc/82/85/29/823828529.db2.gz JSOKAJUBMPMEON-VQHVLOKHSA-N 0 0 396.418 4.146 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)CCC)o2)cc1 ZINC000126295430 823832812 /nfs/dbraw/zinc/83/28/12/823832812.db2.gz KTNROTNDUJBPNI-KBPBESRZSA-N 0 0 375.494 4.087 20 30 GIEDRN COC(=O)C[C@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1 ZINC000462117354 823833871 /nfs/dbraw/zinc/83/38/71/823833871.db2.gz LHHQDSPJQWMULW-IERDGZPVSA-N 0 0 392.499 4.380 20 30 GIEDRN C=CCOc1ccc(-c2nnc(SCc3nc(N)c4ccccc4n3)o2)cc1 ZINC000126303153 823834751 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N#Cc1cccc(NC(=O)C[S@@](=O)Cc2ccccc2Oc2ccccc2)c1 ZINC000126317577 823838267 /nfs/dbraw/zinc/83/82/67/823838267.db2.gz XHVVQIDSONBBAN-MUUNZHRXSA-N 0 0 390.464 4.238 20 30 GIEDRN C=CCn1c(-c2ccccc2C)nn(CN(C)CCc2ncc(C)s2)c1=S ZINC000165185463 823838597 /nfs/dbraw/zinc/83/85/97/823838597.db2.gz XCFPWZYNQYDFMO-UHFFFAOYSA-N 0 0 399.589 4.472 20 30 GIEDRN COC(=O)C[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000574840099 823839737 /nfs/dbraw/zinc/83/97/37/823839737.db2.gz QULDAAKTSSMGQV-NSHDSACASA-N 0 0 388.411 4.239 20 30 GIEDRN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC000574845687 823840872 /nfs/dbraw/zinc/84/08/72/823840872.db2.gz BRDUWJWHMYASGU-QGZVFWFLSA-N 0 0 392.425 4.309 20 30 GIEDRN C=CCn1c(COc2ccccc2OCC)nnc1N1CCc2sccc2C1 ZINC000574847215 823841308 /nfs/dbraw/zinc/84/13/08/823841308.db2.gz SAJPNOSETAGNKW-UHFFFAOYSA-N 0 0 396.516 4.066 20 30 GIEDRN N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]nc3-c3ccccn3)cc2)c1 ZINC000574849389 823842199 /nfs/dbraw/zinc/84/21/99/823842199.db2.gz OGIGDJSGRJQQDJ-UHFFFAOYSA-N 0 0 395.422 4.175 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N[C@@H](C)CC)C(C)C)o2)cc1 ZINC000126333362 823842350 /nfs/dbraw/zinc/84/23/50/823842350.db2.gz LZWKZINKSQGNES-YOEHRIQHSA-N 0 0 389.521 4.333 20 30 GIEDRN C[C@H](NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2 ZINC000574855741 823844973 /nfs/dbraw/zinc/84/49/73/823844973.db2.gz RDLOPZZQLCVFIJ-LBPRGKRZSA-N 0 0 393.434 4.063 20 30 GIEDRN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1OCC1CCOCC1 ZINC000462153115 823846172 /nfs/dbraw/zinc/84/61/72/823846172.db2.gz WGIBXUJIZFCTAP-KRWDZBQOSA-N 0 0 378.472 4.414 20 30 GIEDRN CNc1ccc(C#N)cc1NC(=O)c1ccoc1CN1c2ccccc2C[C@H]1C ZINC000574864758 823846447 /nfs/dbraw/zinc/84/64/47/823846447.db2.gz YQLYLMCMZNAEED-OAHLLOKOSA-N 0 0 386.455 4.396 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000413835000 823848053 /nfs/dbraw/zinc/84/80/53/823848053.db2.gz NSOXYLIBNXZBDU-UNMCSNQZSA-N 0 0 377.488 4.292 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000413839253 823848752 /nfs/dbraw/zinc/84/87/52/823848752.db2.gz TXSJSMPXVNGRHB-UKILVPOCSA-N 0 0 392.543 4.201 20 30 GIEDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000165510561 823851397 /nfs/dbraw/zinc/85/13/97/823851397.db2.gz DBFKSDWPJHKJPD-CYBMUJFWSA-N 0 0 395.525 4.109 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000126375510 823851959 /nfs/dbraw/zinc/85/19/59/823851959.db2.gz BTKLKHGWZCDADE-INIZCTEOSA-N 0 0 385.533 4.358 20 30 GIEDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000165528890 823852155 /nfs/dbraw/zinc/85/21/55/823852155.db2.gz RUKZVDDASLJDIK-GFCCVEGCSA-N 0 0 382.407 4.178 20 30 GIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)O[C@H](C)c1ccccc1Cl ZINC000126387892 823854370 /nfs/dbraw/zinc/85/43/70/823854370.db2.gz VQYPLTDJWFIRNK-CQSZACIVSA-N 0 0 382.851 4.108 20 30 GIEDRN C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1CO ZINC000192090155 823856553 /nfs/dbraw/zinc/85/65/53/823856553.db2.gz LBDGGRUVFBMDQV-ALKREAHSSA-N 0 0 383.879 4.088 20 30 GIEDRN Cc1ccnc(Oc2cc(NCC(=O)NCc3cccc(C#N)c3)ccc2C)c1 ZINC000462180330 823857025 /nfs/dbraw/zinc/85/70/25/823857025.db2.gz HAAAPGJCJGXSCZ-UHFFFAOYSA-N 0 0 386.455 4.091 20 30 GIEDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000574903892 823857874 /nfs/dbraw/zinc/85/78/74/823857874.db2.gz KZPIYQQHOSCBBN-GVDBMIGSSA-N 0 0 390.361 4.078 20 30 GIEDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000462185396 823859446 /nfs/dbraw/zinc/85/94/46/823859446.db2.gz AYMKDBKWJOJMQT-MJGOQNOKSA-N 0 0 392.890 4.462 20 30 GIEDRN CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000462185397 823859654 /nfs/dbraw/zinc/85/96/54/823859654.db2.gz AYMKDBKWJOJMQT-PKOBYXMFSA-N 0 0 392.890 4.462 20 30 GIEDRN CC(C)OC(=O)CCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000462198744 823866286 /nfs/dbraw/zinc/86/62/86/823866286.db2.gz KUANKCLJIGEEFF-UHFFFAOYSA-N 0 0 380.444 4.007 20 30 GIEDRN COc1cc(CNC(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)ccc1C#N ZINC000574946747 823868280 /nfs/dbraw/zinc/86/82/80/823868280.db2.gz VYVQIOJUIKCFQJ-UHFFFAOYSA-N 0 0 383.448 4.029 20 30 GIEDRN N#C[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714200 823869249 /nfs/dbraw/zinc/86/92/49/823869249.db2.gz SDKQQQWQEOLKNK-NSHDSACASA-N 0 0 384.363 4.307 20 30 GIEDRN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000574952197 823870025 /nfs/dbraw/zinc/87/00/25/823870025.db2.gz BAFNQENBGRBNBM-WIYYLYMNSA-N 0 0 378.428 4.279 20 30 GIEDRN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000126451017 823871232 /nfs/dbraw/zinc/87/12/32/823871232.db2.gz JKFNSILOMJRADT-IBGZPJMESA-N 0 0 398.388 4.394 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cc1 ZINC000064724256 823872036 /nfs/dbraw/zinc/87/20/36/823872036.db2.gz PPKHHAJUOAGSQW-UHFFFAOYSA-N 0 0 392.846 4.236 20 30 GIEDRN CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000574959905 823872404 /nfs/dbraw/zinc/87/24/04/823872404.db2.gz PTBOEIDCSRLWOO-WOJBJXKFSA-N 0 0 380.448 4.215 20 30 GIEDRN C[C@@H](C(=O)Nc1nc2ccccc2n1CCc1ccccn1)c1cccc(C#N)c1 ZINC000462211833 823874241 /nfs/dbraw/zinc/87/42/41/823874241.db2.gz UCFGYBKGVMMCPS-QGZVFWFLSA-N 0 0 395.466 4.288 20 30 GIEDRN C=C(C)[C@@H](NC(=O)Cc1cncn1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000574966442 823875305 /nfs/dbraw/zinc/87/53/05/823875305.db2.gz LMEDONYVXNNOGZ-JOCHJYFZSA-N 0 0 381.426 4.186 20 30 GIEDRN COc1ccc(C#N)cc1NC(=O)NCc1ccccc1OCc1ccccc1 ZINC000064742041 823877336 /nfs/dbraw/zinc/87/73/36/823877336.db2.gz BSJYDFSHOXCFTP-UHFFFAOYSA-N 0 0 387.439 4.468 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)c1ccccc1 ZINC000462221620 823879440 /nfs/dbraw/zinc/87/94/40/823879440.db2.gz JXTYPHDZWYNGCS-UHFFFAOYSA-N 0 0 375.375 4.084 20 30 GIEDRN COc1ccc(C)cc1NC(=O)[C@H](C)SCCCOc1cccc(C#N)c1 ZINC000126501312 823885259 /nfs/dbraw/zinc/88/52/59/823885259.db2.gz ASISDZLQQNOGCT-INIZCTEOSA-N 0 0 384.501 4.405 20 30 GIEDRN Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1NC(=O)c1ccco1 ZINC000126503025 823885821 /nfs/dbraw/zinc/88/58/21/823885821.db2.gz HCTXCVGKZLXHGN-HNNXBMFYSA-N 0 0 388.427 4.151 20 30 GIEDRN Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)CC(F)(F)F)cc1C ZINC000413996962 823886102 /nfs/dbraw/zinc/88/61/02/823886102.db2.gz UYUMBKRTGWDGBZ-CYBMUJFWSA-N 0 0 392.425 4.399 20 30 GIEDRN Cc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1NC(=O)c1ccco1 ZINC000126505856 823886194 /nfs/dbraw/zinc/88/61/94/823886194.db2.gz ZJTYPBTTYMKILS-HNNXBMFYSA-N 0 0 388.427 4.151 20 30 GIEDRN COc1ccc(-c2nc(Cc3noc(/C=C/c4ccc(C#N)cc4)n3)co2)cc1 ZINC000575012608 823887595 /nfs/dbraw/zinc/88/75/95/823887595.db2.gz RBBOKGMTYJAYDH-IZZDOVSWSA-N 0 0 384.395 4.366 20 30 GIEDRN CCCN(C(=O)c1cccs1)C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000167215584 823889494 /nfs/dbraw/zinc/88/94/94/823889494.db2.gz VPGYBJAHFYSPOY-UHFFFAOYSA-N 0 0 398.488 4.049 20 30 GIEDRN N#Cc1cccc(OCCNc2ccc(C(=O)N3CCc4ccccc43)cc2)c1 ZINC000462237825 823889535 /nfs/dbraw/zinc/88/95/35/823889535.db2.gz LWVVVXDYIPYBQL-UHFFFAOYSA-N 0 0 383.451 4.252 20 30 GIEDRN Cc1ccccc1C[C@H](C)NC(=O)CNc1ccccc1SC[C@@H](C)C#N ZINC000462238756 823890367 /nfs/dbraw/zinc/89/03/67/823890367.db2.gz QRMBEOFOWYFPNQ-WMZOPIPTSA-N 0 0 381.545 4.406 20 30 GIEDRN Cc1ccccc1C[C@@H](C)NC(=O)CNc1ccccc1SC[C@H](C)C#N ZINC000462238755 823890382 /nfs/dbraw/zinc/89/03/82/823890382.db2.gz QRMBEOFOWYFPNQ-SJLPKXTDSA-N 0 0 381.545 4.406 20 30 GIEDRN N#Cc1cc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000167497776 823893013 /nfs/dbraw/zinc/89/30/13/823893013.db2.gz NLUXKJYFFNGIKU-QGZVFWFLSA-N 0 0 377.322 4.063 20 30 GIEDRN N#Cc1ccc(-c2ccc(OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)cc1 ZINC000126536493 823893444 /nfs/dbraw/zinc/89/34/44/823893444.db2.gz ZMESGCTWGJYDNO-GOSISDBHSA-N 0 0 388.389 4.405 20 30 GIEDRN C[C@H](C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1)c1cccc(C#N)c1 ZINC000462245378 823894248 /nfs/dbraw/zinc/89/42/48/823894248.db2.gz KDOHMBORZZFYAD-YOEHRIQHSA-N 0 0 377.419 4.348 20 30 GIEDRN C[C@H](C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1cccc(C#N)c1 ZINC000462245377 823894452 /nfs/dbraw/zinc/89/44/52/823894452.db2.gz KDOHMBORZZFYAD-WMLDXEAASA-N 0 0 377.419 4.348 20 30 GIEDRN CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000167803101 823895594 /nfs/dbraw/zinc/89/55/94/823895594.db2.gz PSVARHLZLIEKCT-SFHVURJKSA-N 0 0 379.460 4.173 20 30 GIEDRN C[C@H]1[C@H](CO)CCCN1C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000414061437 823898534 /nfs/dbraw/zinc/89/85/34/823898534.db2.gz WKRHFKSWCWKYFH-LPHOPBHVSA-N 0 0 380.513 4.084 20 30 GIEDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462250771 823898643 /nfs/dbraw/zinc/89/86/43/823898643.db2.gz ZXFFJGWHDNYQMK-CHWSQXEVSA-N 0 0 389.268 4.311 20 30 GIEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000575047445 823898782 /nfs/dbraw/zinc/89/87/82/823898782.db2.gz RHROYMVETXJADH-LWYYNNOASA-N 0 0 384.483 4.381 20 30 GIEDRN C[C@H](C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1)c1cccc(C#N)c1 ZINC000462254542 823900366 /nfs/dbraw/zinc/90/03/66/823900366.db2.gz CARRSQXLXVGNGT-LBPRGKRZSA-N 0 0 397.891 4.234 20 30 GIEDRN C#CCCCCC(=O)Nc1cc(OC)c(Br)cc1Br ZINC000192205506 823901665 /nfs/dbraw/zinc/90/16/65/823901665.db2.gz BCTZOYHXAWALMX-UHFFFAOYSA-N 0 0 389.087 4.352 20 30 GIEDRN CCN(C[C@H](C)C#N)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000064858712 823902941 /nfs/dbraw/zinc/90/29/41/823902941.db2.gz UNGYRJNCSIMBBA-QGZVFWFLSA-N 0 0 390.462 4.229 20 30 GIEDRN CCOC(=O)c1sc(NC(=O)CCCOCc2ccccc2)c(C#N)c1C ZINC000064868630 823903740 /nfs/dbraw/zinc/90/37/40/823903740.db2.gz RMNYAZUELSUGRS-UHFFFAOYSA-N 0 0 386.473 4.040 20 30 GIEDRN COCCOc1ccc(/C=C(\C)c2nc3ccccc3n2CC#N)cc1OC ZINC000414084365 823904780 /nfs/dbraw/zinc/90/47/80/823904780.db2.gz WYUNHCAQBSWKHM-JQIJEIRASA-N 0 0 377.444 4.154 20 30 GIEDRN C[C@H](Cc1cc(Br)ccc1F)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462263909 823904935 /nfs/dbraw/zinc/90/49/35/823904935.db2.gz RKABQMDWDGZSJV-CHWSQXEVSA-N 0 0 389.268 4.311 20 30 GIEDRN N#Cc1ccc(F)cc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000126581903 823905009 /nfs/dbraw/zinc/90/50/09/823905009.db2.gz CRXURYAERQKZDV-UHFFFAOYSA-N 0 0 375.432 4.178 20 30 GIEDRN N#C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000126583771 823905576 /nfs/dbraw/zinc/90/55/76/823905576.db2.gz DQTXQXBHMIISFD-LBPRGKRZSA-N 0 0 382.338 4.241 20 30 GIEDRN CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000462272741 823908644 /nfs/dbraw/zinc/90/86/44/823908644.db2.gz PQPRLQRKPBYPHT-UHFFFAOYSA-N 0 0 398.528 4.244 20 30 GIEDRN N#Cc1ccncc1C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000575089597 823908902 /nfs/dbraw/zinc/90/89/02/823908902.db2.gz RLKDPGJYNLCEAR-UHFFFAOYSA-N 0 0 378.432 4.269 20 30 GIEDRN Cc1sc2[nH]c(Cc3noc(-c4ccc(C#N)c(Cl)c4)n3)nc(=O)c2c1C ZINC000575091680 823909294 /nfs/dbraw/zinc/90/92/94/823909294.db2.gz RZUVMOCKORYPMU-UHFFFAOYSA-N 0 0 397.847 4.180 20 30 GIEDRN C[C@H](CCc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000064915599 823911137 /nfs/dbraw/zinc/91/11/37/823911137.db2.gz VISAWYNTFVHPAC-LLVKDONJSA-N 0 0 375.226 4.057 20 30 GIEDRN Cn1cc(CCCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)cn1 ZINC000126619651 823913232 /nfs/dbraw/zinc/91/32/32/823913232.db2.gz XTYGAXHIPOWTSR-UHFFFAOYSA-N 0 0 394.862 4.100 20 30 GIEDRN C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)C1CCOCC1 ZINC000575103313 823913627 /nfs/dbraw/zinc/91/36/27/823913627.db2.gz RVZCGOZNUFWJEX-HNNXBMFYSA-N 0 0 390.915 4.263 20 30 GIEDRN CCCc1c(N[C@H](C)c2ncc(C(=O)OC)s2)cnn1-c1cccc(C#N)c1 ZINC000414134893 823917175 /nfs/dbraw/zinc/91/71/75/823917175.db2.gz NZIMTGCTQVEVIV-CYBMUJFWSA-N 0 0 395.488 4.113 20 30 GIEDRN Cc1cc(C#N)cnc1C(=O)N1CCC(C)(c2ccc(Br)cc2)CC1 ZINC000575145372 823922774 /nfs/dbraw/zinc/92/27/74/823922774.db2.gz SEJWHJZJEJFPHM-UHFFFAOYSA-N 0 0 398.304 4.218 20 30 GIEDRN C[C@@H](C(=O)N1CCc2cc(Br)cc(F)c2C1)c1cccc(C#N)c1 ZINC000462337236 823929963 /nfs/dbraw/zinc/92/99/63/823929963.db2.gz COIWYOKWBFWAJC-GFCCVEGCSA-N 0 0 387.252 4.148 20 30 GIEDRN C=CCc1cc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc(OC)c1OC ZINC000065063977 823932325 /nfs/dbraw/zinc/93/23/25/823932325.db2.gz YRQVJPODBDTNEZ-UHFFFAOYSA-N 0 0 390.483 4.082 20 30 GIEDRN C=CCc1cc(CNC(=O)c2cc3ccc(F)cc3nc2C)cc(OC)c1OC ZINC000065064132 823932345 /nfs/dbraw/zinc/93/23/45/823932345.db2.gz MUXVGYGRBLBELH-UHFFFAOYSA-N 0 0 394.446 4.358 20 30 GIEDRN C=CCc1cc(CNC(=O)c2ccc(-n3cccc3)cc2)cc(OC)c1OC ZINC000065064261 823932733 /nfs/dbraw/zinc/93/27/33/823932733.db2.gz RFZANGDYTATAAE-UHFFFAOYSA-N 0 0 376.456 4.153 20 30 GIEDRN C=CCc1cc(CNC(=O)COc2ccc(Cl)c(C)c2)cc(OC)c1OC ZINC000065064370 823932750 /nfs/dbraw/zinc/93/27/50/823932750.db2.gz WBGNRTPXAKAEOG-UHFFFAOYSA-N 0 0 389.879 4.089 20 30 GIEDRN CCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000126711778 823932796 /nfs/dbraw/zinc/93/27/96/823932796.db2.gz QTVJDKXKTWJRAG-KRWDZBQOSA-N 0 0 384.892 4.316 20 30 GIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000126732527 823937966 /nfs/dbraw/zinc/93/79/66/823937966.db2.gz XYMDFQVPGAGEMW-QFIPXVFZSA-N 0 0 393.531 4.281 20 30 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CC[C@H](CC#N)OC(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000188005971 823170667 /nfs/dbraw/zinc/17/06/67/823170667.db2.gz QFCYOGIYNYLFTA-ZNKOEICNSA-N 0 0 394.515 4.368 20 30 GIEDRN C[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000121373285 823172643 /nfs/dbraw/zinc/17/26/43/823172643.db2.gz FMZFCCPLCPTWSJ-LBPRGKRZSA-N 0 0 389.297 4.090 20 30 GIEDRN COc1ccc(OCc2nc(CN(CCC#N)Cc3ccco3)cs2)cc1 ZINC000176289325 823173287 /nfs/dbraw/zinc/17/32/87/823173287.db2.gz ZBIQXPRRJORBHN-UHFFFAOYSA-N 0 0 383.473 4.240 20 30 GIEDRN C=CCC1(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CCC1 ZINC000188024748 823173759 /nfs/dbraw/zinc/17/37/59/823173759.db2.gz XQZBPFKMFKMYAS-UHFFFAOYSA-N 0 0 380.532 4.163 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000571376498 823174287 /nfs/dbraw/zinc/17/42/87/823174287.db2.gz XJXOELVSKHGFNO-FQEVSTJZSA-N 0 0 394.519 4.113 20 30 GIEDRN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000571376692 823174516 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C=CCOc1ccc(CN(C(=O)c2cccc3c2OCC(=O)N3)C(C)(C)C)cc1 ZINC000188079427 823183278 /nfs/dbraw/zinc/18/32/78/823183278.db2.gz LAZPTXYNBHLBGD-UHFFFAOYSA-N 0 0 394.471 4.023 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ccc(OCC)cc1 ZINC000188064048 823180409 /nfs/dbraw/zinc/18/04/09/823180409.db2.gz QIYCIHJAQYVUDA-UHFFFAOYSA-N 0 0 380.488 4.306 20 30 GIEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(C)c2Br)c1 ZINC000121419583 823181238 /nfs/dbraw/zinc/18/12/38/823181238.db2.gz NLOLDFHTQRYCRS-OAHLLOKOSA-N 0 0 387.277 4.369 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000056616870 823181853 /nfs/dbraw/zinc/18/18/53/823181853.db2.gz UJCLGQUBKYVHGJ-UHFFFAOYSA-N 0 0 391.475 4.113 20 30 GIEDRN CC(C)n1nnnc1-c1ccccc1NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000571435689 823182284 /nfs/dbraw/zinc/18/22/84/823182284.db2.gz LEGZEAZDYBWEMT-HNNXBMFYSA-N 0 0 389.463 4.018 20 30 GIEDRN N#CC1(CS(=O)(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CCCC1 ZINC000571450159 823184234 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ZINC000409816614 823315130 /nfs/dbraw/zinc/31/51/30/823315130.db2.gz DMVDUBUWTAEDSN-UHFFFAOYSA-N 0 0 391.496 4.096 20 30 GIEDRN C=CCOc1ccc(/C=C/C(=O)OCc2nc(-c3ccccc3)no2)cc1OC ZINC000011966143 818132767 /nfs/dbraw/zinc/13/27/67/818132767.db2.gz JEDYOOAINNNZCM-ZRDIBKRKSA-N 0 0 392.411 4.067 20 30 GIEDRN Cn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CC(F)(F)F)c1=S ZINC000176872822 823314413 /nfs/dbraw/zinc/31/44/13/823314413.db2.gz SHUUFIMILCBAIN-UHFFFAOYSA-N 0 0 389.834 4.007 20 30 GIEDRN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)NCc1ccccc1OC ZINC000012046225 818138466 /nfs/dbraw/zinc/13/84/66/818138466.db2.gz AYJZFVYLUOWMDK-OAHLLOKOSA-N 0 0 381.501 4.028 20 30 GIEDRN CCN(CC)C(=S)SCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000012263336 818151158 /nfs/dbraw/zinc/15/11/58/818151158.db2.gz BYVPZMNKVPZSSP-UHFFFAOYSA-N 0 0 392.594 4.390 20 30 GIEDRN N#Cc1ccc2c(c1)N(C(=O)c1cc3c(cc(Br)cc3F)[nH]1)CC2 ZINC000572300197 823316382 /nfs/dbraw/zinc/31/63/82/823316382.db2.gz NXGZGCGHBVMDTR-UHFFFAOYSA-N 0 0 384.208 4.144 20 30 GIEDRN COc1cc(CNC(=O)c2cc(C#N)cs2)ccc1OCc1ccccc1 ZINC000176883401 823317122 /nfs/dbraw/zinc/31/71/22/823317122.db2.gz KHAIHJWLOOBKLT-UHFFFAOYSA-N 0 0 378.453 4.137 20 30 GIEDRN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000122182413 823317963 /nfs/dbraw/zinc/31/79/63/823317963.db2.gz NVHRUKWWATWVOZ-IBGZPJMESA-N 0 0 385.467 4.291 20 30 GIEDRN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)CSC(C)(C)C)c1C#N ZINC000012820078 818184059 /nfs/dbraw/zinc/18/40/59/818184059.db2.gz ZQBKORAKDKDPOM-UHFFFAOYSA-N 0 0 391.537 4.105 20 30 GIEDRN C=CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1nc(C(=O)OCC)cs1 ZINC000409826379 823318205 /nfs/dbraw/zinc/31/82/05/823318205.db2.gz FDDDGTHQQFQVMD-UHFFFAOYSA-N 0 0 398.406 4.100 20 30 GIEDRN CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000012906068 818192595 /nfs/dbraw/zinc/19/25/95/818192595.db2.gz ALWJUQZXXMDSRR-JKSUJKDBSA-N 0 0 380.444 4.021 20 30 GIEDRN N#Cc1ccc(CCC(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000012954595 818197093 /nfs/dbraw/zinc/19/70/93/818197093.db2.gz LTLRAZUGKXBALX-UHFFFAOYSA-N 0 0 398.462 4.264 20 30 GIEDRN N#CCCN(Cc1ccccn1)S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000176899008 823320173 /nfs/dbraw/zinc/32/01/73/823320173.db2.gz IGACMIMSPDGWAT-UHFFFAOYSA-N 0 0 391.905 4.054 20 30 GIEDRN N#Cc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(F)c1 ZINC000014044053 818217772 /nfs/dbraw/zinc/21/77/72/818217772.db2.gz YCFYCKUFBCNYHF-UHFFFAOYSA-N 0 0 393.491 4.166 20 30 GIEDRN CC(C)CCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000176908361 823321641 /nfs/dbraw/zinc/32/16/41/823321641.db2.gz NNHZYYMBFLCCSQ-UHFFFAOYSA-N 0 0 384.524 4.352 20 30 GIEDRN C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccccc1 ZINC000176928030 823326208 /nfs/dbraw/zinc/32/62/08/823326208.db2.gz IAJXTGOCLUZFIL-UHFFFAOYSA-N 0 0 393.428 4.473 20 30 GIEDRN CC(C)[C@@H](C)N(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 ZINC000188882625 823322490 /nfs/dbraw/zinc/32/24/90/823322490.db2.gz RGFGVSFHJKLBQO-MRXNPFEDSA-N 0 0 391.471 4.325 20 30 GIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC000572332237 823322641 /nfs/dbraw/zinc/32/26/41/823322641.db2.gz LQJQNHYBIIKHSR-LJQANCHMSA-N 0 0 375.476 4.266 20 30 GIEDRN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1 ZINC000572334543 823323066 /nfs/dbraw/zinc/32/30/66/823323066.db2.gz PGKICZPUBGXHCU-LJQANCHMSA-N 0 0 384.443 4.212 20 30 GIEDRN CCOC(=O)c1sc(NC(=O)COc2cc(C)ccc2Cl)c(C#N)c1C ZINC000014596512 818252629 /nfs/dbraw/zinc/25/26/29/818252629.db2.gz GFQNHIYQZGMWQS-UHFFFAOYSA-N 0 0 392.864 4.084 20 30 GIEDRN CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C#N)c1C ZINC000014596747 818253049 /nfs/dbraw/zinc/25/30/49/818253049.db2.gz YDHYWSCFPPEGGA-NSHDSACASA-N 0 0 392.864 4.164 20 30 GIEDRN N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)cc1 ZINC000014621476 818254205 /nfs/dbraw/zinc/25/42/05/818254205.db2.gz JCOXDWQOZVOJIK-UHFFFAOYSA-N 0 0 384.461 4.022 20 30 GIEDRN N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl ZINC000014685998 818258564 /nfs/dbraw/zinc/25/85/64/818258564.db2.gz DKFACDAXJFIVBS-UHFFFAOYSA-N 0 0 384.823 4.362 20 30 GIEDRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)c(F)c1 ZINC000014702200 818259136 /nfs/dbraw/zinc/25/91/36/818259136.db2.gz SZENIZWQRKOKHL-UHFFFAOYSA-N 0 0 380.404 4.032 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc(Cn2nc(C)cc2C)n1CC ZINC000460226591 823323620 /nfs/dbraw/zinc/32/36/20/823323620.db2.gz JALLKQKMLVBRNZ-UHFFFAOYSA-N 0 0 390.944 4.067 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014707234 818260052 /nfs/dbraw/zinc/26/00/52/818260052.db2.gz IGVGWLKCUQARJC-LLVKDONJSA-N 0 0 385.395 4.366 20 30 GIEDRN CCn1c(COc2ccccc2F)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460230773 823324750 /nfs/dbraw/zinc/32/47/50/823324750.db2.gz JQIILRAEKBSNQD-UHFFFAOYSA-N 0 0 391.450 4.057 20 30 GIEDRN N#Cc1c(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cn2ccccc12 ZINC000014901485 818275462 /nfs/dbraw/zinc/27/54/62/818275462.db2.gz VSZQMCRPATZAFR-UHFFFAOYSA-N 0 0 382.448 4.298 20 30 GIEDRN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1nc2ccccc2s1 ZINC000015025750 818284312 /nfs/dbraw/zinc/28/43/12/818284312.db2.gz MBAORILOZFQGQE-LBPRGKRZSA-N 0 0 384.892 4.280 20 30 GIEDRN N#CCc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000015029799 818284879 /nfs/dbraw/zinc/28/48/79/818284879.db2.gz AESNJUGSGJTIGH-UHFFFAOYSA-N 0 0 393.450 4.312 20 30 GIEDRN Cc1cc(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(C)n1CCC(C)C ZINC000057739767 823326639 /nfs/dbraw/zinc/32/66/39/823326639.db2.gz XEUWIVYRBGVROX-UHFFFAOYSA-N 0 0 375.472 4.221 20 30 GIEDRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2c(c1)NC(=O)CO2 ZINC000015189392 818298340 /nfs/dbraw/zinc/29/83/40/818298340.db2.gz MQQQWTXCQHBPCV-SOFGYWHQSA-N 0 0 390.351 4.082 20 30 GIEDRN CCN(C(=O)Cn1cc(C#N)c(=O)c2ccccc21)c1cccc2ccccc21 ZINC000057740599 823326978 /nfs/dbraw/zinc/32/69/78/823326978.db2.gz ZWUXPOXYOOUHNH-UHFFFAOYSA-N 0 0 381.435 4.079 20 30 GIEDRN C=CCCc1ccccc1NCC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000409854340 823327080 /nfs/dbraw/zinc/32/70/80/823327080.db2.gz ACZVVUUYJBJOMU-KRWDZBQOSA-N 0 0 382.504 4.420 20 30 GIEDRN N#Cc1ccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000015291291 818306753 /nfs/dbraw/zinc/30/67/53/818306753.db2.gz LOSSIDOWKDUKFC-QGZVFWFLSA-N 0 0 392.509 4.471 20 30 GIEDRN CCOc1ccc(CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000015293377 818307247 /nfs/dbraw/zinc/30/72/47/818307247.db2.gz OSIPKSFWCYZWAQ-UHFFFAOYSA-N 0 0 379.504 4.081 20 30 GIEDRN C=CCC1(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)CCC1 ZINC000188912917 823327601 /nfs/dbraw/zinc/32/76/01/823327601.db2.gz OWLSZUXHRUIKCU-UHFFFAOYSA-N 0 0 375.900 4.071 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@](C)(O)c1ccccc1 ZINC000188913852 823327621 /nfs/dbraw/zinc/32/76/21/823327621.db2.gz FJVVWSYWCSVGJX-KKSFZXQISA-N 0 0 383.517 4.358 20 30 GIEDRN Cc1cc(C)cc(-c2nnc(S[C@H]3CCN(c4sccc4C#N)C3=O)o2)c1 ZINC000176934818 823328429 /nfs/dbraw/zinc/32/84/29/823328429.db2.gz GQNDMXCEFBHXGA-HNNXBMFYSA-N 0 0 396.497 4.184 20 30 GIEDRN Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2ccc(N(C)CCC#N)cc2)NC1=O ZINC000015502626 818331277 /nfs/dbraw/zinc/33/12/77/818331277.db2.gz VFTGGKZWRGXVBQ-LJQANCHMSA-N 0 0 391.500 4.117 20 30 GIEDRN CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccccc1-c1ccccc1C#N ZINC000057755990 823329206 /nfs/dbraw/zinc/32/92/06/823329206.db2.gz ULNBDOSUEUMRMT-UHFFFAOYSA-N 0 0 398.388 4.256 20 30 GIEDRN C=C(C)Cn1c(SCC(=O)N[C@@H](C)C2CCCCC2)nnc1-c1ccco1 ZINC000122263371 823329599 /nfs/dbraw/zinc/32/95/99/823329599.db2.gz SBJPQODZSDXGIU-HNNXBMFYSA-N 0 0 388.537 4.291 20 30 GIEDRN N#Cc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 ZINC000460246307 823329591 /nfs/dbraw/zinc/32/95/91/823329591.db2.gz HNFRNLXECDEXGF-UHFFFAOYSA-N 0 0 381.766 4.014 20 30 GIEDRN N#Cc1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1Cl ZINC000409864938 823329826 /nfs/dbraw/zinc/32/98/26/823329826.db2.gz DDIASQKIGKMFME-KRWDZBQOSA-N 0 0 381.284 4.295 20 30 GIEDRN C=CCNC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000015609567 818346821 /nfs/dbraw/zinc/34/68/21/818346821.db2.gz OWSSOACNHUZKFX-UHFFFAOYSA-N 0 0 395.459 4.426 20 30 GIEDRN C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000015702009 818360499 /nfs/dbraw/zinc/36/04/99/818360499.db2.gz RCLDICWKMLCGGT-AWEZNQCLSA-N 0 0 394.858 4.403 20 30 GIEDRN C=CCOCC(=O)N[C@@](C)(Cc1cccc(Br)c1)c1ccccc1 ZINC000460253485 823331574 /nfs/dbraw/zinc/33/15/74/823331574.db2.gz SSDOAARJFPJSRM-FQEVSTJZSA-N 0 0 388.305 4.226 20 30 GIEDRN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)o1 ZINC000015818320 818372584 /nfs/dbraw/zinc/37/25/84/818372584.db2.gz ZYTNZXCOKFSHOS-ZDUSSCGKSA-N 0 0 386.473 4.283 20 30 GIEDRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OCC ZINC000015966388 818380446 /nfs/dbraw/zinc/38/04/46/818380446.db2.gz IPRRLCMSUGYOBG-HZPDHXFCSA-N 0 0 382.460 4.000 20 30 GIEDRN C=CCC[C@@H](NC(=O)[C@H]1CCc2cnn(C)c2C1)c1ccc(C(F)(F)F)cc1 ZINC000409876574 823333360 /nfs/dbraw/zinc/33/33/60/823333360.db2.gz PSFUNICNOGWGKO-MAUKXSAKSA-N 0 0 391.437 4.368 20 30 GIEDRN 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ZINC000460455999 823395344 /nfs/dbraw/zinc/39/53/44/823395344.db2.gz RATOUUWIIGXHHC-GOSISDBHSA-N 0 0 396.498 4.474 20 30 GIEDRN CC(C)(C)Oc1cccc(CCC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000177193574 823395723 /nfs/dbraw/zinc/39/57/23/823395723.db2.gz JXWQZOYLYGAOLS-QGZVFWFLSA-N 0 0 399.878 4.192 20 30 GIEDRN C[C@@H]1C[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410117787 823396025 /nfs/dbraw/zinc/39/60/25/823396025.db2.gz UTEUJNPVYIJMAC-CZUORRHYSA-N 0 0 394.418 4.144 20 30 GIEDRN C[C@@H](CCc1cccn1C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000460459758 823396924 /nfs/dbraw/zinc/39/69/24/823396924.db2.gz FQULCELBJUGFIF-SFHVURJKSA-N 0 0 387.483 4.227 20 30 GIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(OC(C)=O)cc1 ZINC000122711938 823398795 /nfs/dbraw/zinc/39/87/95/823398795.db2.gz UBRCLPNDSZUICI-UHFFFAOYSA-N 0 0 395.484 4.261 20 30 GIEDRN C[C@H](CCc1cccn1C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000460464903 823398835 /nfs/dbraw/zinc/39/88/35/823398835.db2.gz BRRUUDDRCGTGEU-GOSISDBHSA-N 0 0 387.483 4.227 20 30 GIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1ccc(F)c(C#N)c1 ZINC000122708809 823398332 /nfs/dbraw/zinc/39/83/32/823398332.db2.gz JFHYLCKOYSNQNW-UHFFFAOYSA-N 0 0 380.448 4.346 20 30 GIEDRN Cc1cc(NCc2noc(-c3cccs3)n2)n2c3ccccc3nc2c1C#N ZINC000572792329 823399600 /nfs/dbraw/zinc/39/96/00/823399600.db2.gz VVGQELALCICHJK-UHFFFAOYSA-N 0 0 386.440 4.391 20 30 GIEDRN C=CC[C@H](CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000410139551 823400078 /nfs/dbraw/zinc/40/00/78/823400078.db2.gz LMDLYCDEDFBEHD-KRWDZBQOSA-N 0 0 390.480 4.019 20 30 GIEDRN Cn1cc(CCNC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc21 ZINC000189358308 823400427 /nfs/dbraw/zinc/40/04/27/823400427.db2.gz IMETYJOUUQBLCO-UHFFFAOYSA-N 0 0 377.875 4.359 20 30 GIEDRN Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410142502 823400563 /nfs/dbraw/zinc/40/05/63/823400563.db2.gz LTRALNDLKCLROS-UHFFFAOYSA-N 0 0 382.407 4.489 20 30 GIEDRN C=CCn1c(COc2ccccc2)nnc1SCc1cccc2c1OCCO2 ZINC000122726939 823401266 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N#Cc1cccc(OCCCCc2nc(-c3ccnc(OC(F)F)c3)no2)c1 ZINC000410166456 823408415 /nfs/dbraw/zinc/40/84/15/823408415.db2.gz UDGMYDQHHBLLRP-UHFFFAOYSA-N 0 0 386.358 4.006 20 30 GIEDRN N#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1Cl ZINC000122782273 823411376 /nfs/dbraw/zinc/41/13/76/823411376.db2.gz ZHKZJGLNEZPAIK-SFHVURJKSA-N 0 0 396.878 4.028 20 30 GIEDRN N#Cc1ccc(OC2CCN(Cc3c(F)cccc3N3CCCC3)CC2)c(F)c1 ZINC000572887054 823413950 /nfs/dbraw/zinc/41/39/50/823413950.db2.gz ISFIEWGLEJHCNF-UHFFFAOYSA-N 0 0 397.469 4.480 20 30 GIEDRN CCc1nc2cc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)ccc2o1 ZINC000058564500 823410068 /nfs/dbraw/zinc/41/00/68/823410068.db2.gz YKQAOLOANITUNL-UHFFFAOYSA-N 0 0 380.473 4.313 20 30 GIEDRN COc1cc(Cl)c(Br)cc1C(=O)N1CCC(CCC#N)CC1 ZINC000572883469 823413713 /nfs/dbraw/zinc/41/37/13/823413713.db2.gz MFNURSUNTMUELU-UHFFFAOYSA-N 0 0 385.689 4.267 20 30 GIEDRN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)CCCC[C@H](C)C(C)=O ZINC000122826229 823419008 /nfs/dbraw/zinc/41/90/08/823419008.db2.gz 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C[C@H]1CCc2ccccc2[C@H]1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000460556025 823431264 /nfs/dbraw/zinc/43/12/64/823431264.db2.gz HAXZBMKXORANRD-JTSKRJEESA-N 0 0 377.488 4.040 20 30 GIEDRN CO[C@H]1CC[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000189501191 823432147 /nfs/dbraw/zinc/43/21/47/823432147.db2.gz BEGQRORWENOCRR-CTNGQTDRSA-N 0 0 379.460 4.021 20 30 GIEDRN C=C(C)Cn1c(COCC)nnc1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000460559913 823432879 /nfs/dbraw/zinc/43/28/79/823432879.db2.gz NFPCDEDKHGPBRL-IBGZPJMESA-N 0 0 378.879 4.119 20 30 GIEDRN CCc1nccn1[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000122911549 823432967 /nfs/dbraw/zinc/43/29/67/823432967.db2.gz SQUPMDSSUIYEES-AWEZNQCLSA-N 0 0 383.858 4.499 20 30 GIEDRN CC(C)(C#N)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 ZINC000024618803 819855589 /nfs/dbraw/zinc/85/55/89/819855589.db2.gz TXZQEBRLGMEUBC-UHFFFAOYSA-N 0 0 399.376 4.340 20 30 GIEDRN C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC000460561054 823433216 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C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H](C)CCSC ZINC000460562920 823434210 /nfs/dbraw/zinc/43/42/10/823434210.db2.gz TVIDRZKONBTLMT-HNNXBMFYSA-N 0 0 378.517 4.150 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CCSC1 ZINC000460563010 823434240 /nfs/dbraw/zinc/43/42/40/823434240.db2.gz SZFJYAYVZUUXGH-HUUCEWRRSA-N 0 0 376.501 4.075 20 30 GIEDRN C=C(C)Cn1c(-c2cccnc2)nnc1N(Cc1c(F)cccc1F)C1CC1 ZINC000460563187 823434245 /nfs/dbraw/zinc/43/42/45/823434245.db2.gz CMDTZUQIXCOPAX-UHFFFAOYSA-N 0 0 381.430 4.363 20 30 GIEDRN C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)[C@H]1C ZINC000460568189 823436422 /nfs/dbraw/zinc/43/64/22/823436422.db2.gz SVPCVVAEIWZTRV-GVDBMIGSSA-N 0 0 379.508 4.015 20 30 GIEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000024923198 819895738 /nfs/dbraw/zinc/89/57/38/819895738.db2.gz LEYDGYYDKZFAJZ-OAQYLSRUSA-N 0 0 389.503 4.054 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000058706537 823436509 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C=CCn1c(SCc2ncn(-c3ccccc3)n2)nnc1-c1ccc(C)cc1 ZINC000179737498 822539115 /nfs/dbraw/zinc/53/91/15/822539115.db2.gz ASOFUJUXFYTMOR-UHFFFAOYSA-N 0 0 388.500 4.313 20 30 GIEDRN C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000047051873 822540510 /nfs/dbraw/zinc/54/05/10/822540510.db2.gz VGHCLQNOFMTKLD-ZDUSSCGKSA-N 0 0 377.366 4.359 20 30 GIEDRN C[C@H](NC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000047051829 822540589 /nfs/dbraw/zinc/54/05/89/822540589.db2.gz HSGGUNMRJFSGCK-ZDUSSCGKSA-N 0 0 377.366 4.016 20 30 GIEDRN COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000047051689 822540608 /nfs/dbraw/zinc/54/06/08/822540608.db2.gz SCNINCOQGQILTD-HNAYVOBHSA-N 0 0 379.460 4.183 20 30 GIEDRN C[C@@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(C#N)cc1 ZINC000047052294 822540689 /nfs/dbraw/zinc/54/06/89/822540689.db2.gz AOIDFDMQDUKPQT-LLVKDONJSA-N 0 0 378.295 4.285 20 30 GIEDRN CC(C)(C)Oc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000183889685 822541236 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Cc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000455078328 822586207 /nfs/dbraw/zinc/58/62/07/822586207.db2.gz FFPIGFKLRMFFIG-STQMWFEESA-N 0 0 392.290 4.113 20 30 GIEDRN CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000455089945 822587832 /nfs/dbraw/zinc/58/78/32/822587832.db2.gz FWJNWCGAVALSHQ-FQEVSTJZSA-N 0 0 388.471 4.493 20 30 GIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455099081 822588657 /nfs/dbraw/zinc/58/86/57/822588657.db2.gz WBGJTCJKWNWTKN-INIZCTEOSA-N 0 0 380.448 4.395 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000184164909 822589151 /nfs/dbraw/zinc/58/91/51/822589151.db2.gz IJBWLKVRQKBILO-LBPRGKRZSA-N 0 0 379.338 4.250 20 30 GIEDRN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179982709 822590370 /nfs/dbraw/zinc/59/03/70/822590370.db2.gz YTSYZWNZLONTJQ-YWZLYKJASA-N 0 0 379.460 4.343 20 30 GIEDRN C[C@@H](C#N)CNC(=O)C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000179997715 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C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000180027032 822599894 /nfs/dbraw/zinc/59/98/94/822599894.db2.gz PYYMHWKKXKQWGA-YCRPNKLZSA-N 0 0 390.418 4.423 20 30 GIEDRN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000455170435 822601173 /nfs/dbraw/zinc/60/11/73/822601173.db2.gz RZAYZJUNDLYANE-QGZVFWFLSA-N 0 0 386.402 4.241 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000180039991 822602665 /nfs/dbraw/zinc/60/26/65/822602665.db2.gz CQRMXGIFFORMBH-ZDUSSCGKSA-N 0 0 393.365 4.197 20 30 GIEDRN C=CCC[C@H](NCc1nc2cc(S(=O)(=O)CC)ccc2o1)c1ccccc1 ZINC000180042471 822603109 /nfs/dbraw/zinc/60/31/09/822603109.db2.gz NGRANUCNVLZBFA-SFHVURJKSA-N 0 0 384.501 4.419 20 30 GIEDRN Cn1cnc(-c2ccc(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2)n1 ZINC000180060048 822606224 /nfs/dbraw/zinc/60/62/24/822606224.db2.gz KMBHQUDSPDYUPJ-UHFFFAOYSA-N 0 0 395.422 4.398 20 30 GIEDRN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC000455204468 822607848 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N#Cc1cccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000055452996 822964493 /nfs/dbraw/zinc/96/44/93/822964493.db2.gz NPNQLALUWMUJGQ-UHFFFAOYSA-N 0 0 388.389 4.055 20 30 GIEDRN N#CC1(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)CCSCC1 ZINC000569771363 822966522 /nfs/dbraw/zinc/96/65/22/822966522.db2.gz AXWXQMXGURCDDK-UHFFFAOYSA-N 0 0 375.497 4.209 20 30 GIEDRN CCC1(c2ccccc2)CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000458214723 822969691 /nfs/dbraw/zinc/96/96/91/822969691.db2.gz KQMQNZUYMSYHRG-UHFFFAOYSA-N 0 0 391.490 4.104 20 30 GIEDRN CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569801302 822970981 /nfs/dbraw/zinc/97/09/81/822970981.db2.gz SRKCTDQJAKLPKG-DLBZAZTESA-N 0 0 395.673 4.249 20 30 GIEDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCc2ccc(CC#N)cc2)c1 ZINC000569808543 822971791 /nfs/dbraw/zinc/97/17/91/822971791.db2.gz UYKFJQCVESEQDL-MHZLTWQESA-N 0 0 383.517 4.122 20 30 GIEDRN N#Cc1csc(/C=C2/SC(=S)N([C@@H]3CCc4ccccc4C3)C2=O)c1 ZINC000175449901 822971806 /nfs/dbraw/zinc/97/18/06/822971806.db2.gz YXNDKDXTPFRYMA-GFHWABCWSA-N 0 0 382.535 4.378 20 30 GIEDRN Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCc2ccccc2)c1 ZINC000569816326 822972264 /nfs/dbraw/zinc/97/22/64/822972264.db2.gz QOYVZFKWUVOUJL-LJQANCHMSA-N 0 0 389.503 4.004 20 30 GIEDRN N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000569838526 822974602 /nfs/dbraw/zinc/97/46/02/822974602.db2.gz AUOQSORJKGXBDX-JOCHJYFZSA-N 0 0 385.471 4.385 20 30 GIEDRN C=CCC1(CNC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)CCCC1 ZINC000458268529 822975927 /nfs/dbraw/zinc/97/59/27/822975927.db2.gz GNSGFXPUQWHKPU-QGZVFWFLSA-N 0 0 383.496 4.264 20 30 GIEDRN C=CCc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(F)c2)c(OC)c1 ZINC000055542091 822976290 /nfs/dbraw/zinc/97/62/90/822976290.db2.gz KTPFHLVQWKWBBW-UHFFFAOYSA-N 0 0 381.350 4.182 20 30 GIEDRN Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc(C#N)c(Cl)c2)n1 ZINC000569854625 822976350 /nfs/dbraw/zinc/97/63/50/822976350.db2.gz PDBNSWLWEOUXTN-UHFFFAOYSA-N 0 0 387.226 4.405 20 30 GIEDRN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000186898218 822976767 /nfs/dbraw/zinc/97/67/67/822976767.db2.gz VKXSANYMKSBDHJ-NYHFZMIOSA-N 0 0 380.875 4.116 20 30 GIEDRN N#CCCCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC000458277596 822977192 /nfs/dbraw/zinc/97/71/92/822977192.db2.gz DYWDIOAPTNCNSQ-MRXNPFEDSA-N 0 0 378.314 4.250 20 30 GIEDRN C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCC[C@H](SCC)C1 ZINC000569859405 822977213 /nfs/dbraw/zinc/97/72/13/822977213.db2.gz XGELEACIVJNABT-HKUYNNGSSA-N 0 0 384.549 4.252 20 30 GIEDRN C=CCn1c(CSc2ccccc2OC)nnc1N1CCc2ccccc2C1 ZINC000569859414 822977546 /nfs/dbraw/zinc/97/75/46/822977546.db2.gz XPXMFGZRINGCTF-UHFFFAOYSA-N 0 0 392.528 4.328 20 30 GIEDRN C=CCC[C@H](C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1)c1ccccc1 ZINC000186906391 822977675 /nfs/dbraw/zinc/97/76/75/822977675.db2.gz AQTUIKIIGDWAPE-NRFANRHFSA-N 0 0 391.515 4.317 20 30 GIEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2ccsc2)CC1 ZINC000186914990 822979392 /nfs/dbraw/zinc/97/93/92/822979392.db2.gz FZXHPWGTCBETGD-CYBMUJFWSA-N 0 0 385.558 4.377 20 30 GIEDRN N#CCCCOc1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1 ZINC000055570182 822980764 /nfs/dbraw/zinc/98/07/64/822980764.db2.gz ZGCYOHJGBJBKCO-UHFFFAOYSA-N 0 0 378.350 4.405 20 30 GIEDRN N#CCCCOc1cccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000055570020 822980849 /nfs/dbraw/zinc/98/08/49/822980849.db2.gz RCLYDHBHBZYKAK-UHFFFAOYSA-N 0 0 382.445 4.052 20 30 GIEDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(OCCCC#N)c3)c12 ZINC000055569936 822980885 /nfs/dbraw/zinc/98/08/85/822980885.db2.gz SSPPXCAKJWWVKU-UHFFFAOYSA-N 0 0 389.459 4.089 20 30 GIEDRN Cc1ncsc1/C=C/C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000186925562 822981380 /nfs/dbraw/zinc/98/13/80/822981380.db2.gz GNZFOENDSWWSTD-YVNCXZRQSA-N 0 0 389.480 4.425 20 30 GIEDRN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000055594243 822984644 /nfs/dbraw/zinc/98/46/44/822984644.db2.gz HSQVDIRTBZECEO-IAGOWNOFSA-N 0 0 389.499 4.432 20 30 GIEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000569911161 822984861 /nfs/dbraw/zinc/98/48/61/822984861.db2.gz QYKRMVSSOZXSEN-BVSLBCMMSA-N 0 0 375.472 4.013 20 30 GIEDRN CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H](C)c1cc2ccccc2o1 ZINC000055605199 822986442 /nfs/dbraw/zinc/98/64/42/822986442.db2.gz VORQPNQPDAMDMI-INIZCTEOSA-N 0 0 391.471 4.152 20 30 GIEDRN C=CC[C@@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000186961418 822987703 /nfs/dbraw/zinc/98/77/03/822987703.db2.gz LFFMOEDOKPFBQI-GOSISDBHSA-N 0 0 398.890 4.111 20 30 GIEDRN N#Cc1cccc(CCNC(=O)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000569948414 822988764 /nfs/dbraw/zinc/98/87/64/822988764.db2.gz LVYVKLUPFWAMQU-UHFFFAOYSA-N 0 0 397.194 4.312 20 30 GIEDRN CCOc1ccc(Oc2cc(CNC(=O)c3cccc(F)c3C#N)ccn2)cc1 ZINC000186968795 822989351 /nfs/dbraw/zinc/98/93/51/822989351.db2.gz FFHOMEBUQDWCJU-UHFFFAOYSA-N 0 0 391.402 4.213 20 30 GIEDRN N#Cc1ccc(CSCC(=O)Nc2c(F)cccc2Br)cc1 ZINC000175519684 822989831 /nfs/dbraw/zinc/98/98/31/822989831.db2.gz NVOZJSFSYDQVIK-UHFFFAOYSA-N 0 0 379.254 4.332 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccc(OC)c(OC)c1OC)c1ccc(F)c(F)c1 ZINC000186977277 822991088 /nfs/dbraw/zinc/99/10/88/822991088.db2.gz KRDHKVIDCFQOCQ-KRWDZBQOSA-N 0 0 392.402 4.430 20 30 GIEDRN C=CCn1c(CC2CCCC2)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000569970947 822991437 /nfs/dbraw/zinc/99/14/37/822991437.db2.gz YPAIPCNLYNTOQR-RKOGDMNLSA-N 0 0 386.565 4.132 20 30 GIEDRN N#Cc1ccc(CSc2ccccc2C(=O)NCC2(CO)CCCC2)cc1 ZINC000186982280 822992049 /nfs/dbraw/zinc/99/20/49/822992049.db2.gz ZRYNJMJYIQREFE-UHFFFAOYSA-N 0 0 380.513 4.133 20 30 GIEDRN C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000055647392 822992296 /nfs/dbraw/zinc/99/22/96/822992296.db2.gz XJTWLMFVKINRKY-HHNLSAEISA-N 0 0 383.451 4.423 20 30 GIEDRN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c1c(F)ccc2F ZINC000569978987 822992529 /nfs/dbraw/zinc/99/25/29/822992529.db2.gz OXEDGCADRCFYSV-CYBMUJFWSA-N 0 0 387.455 4.218 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCc2c1c(F)ccc2F ZINC000569978988 822992584 /nfs/dbraw/zinc/99/25/84/822992584.db2.gz OXEDGCADRCFYSV-ZDUSSCGKSA-N 0 0 387.455 4.218 20 30 GIEDRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175543143 822994088 /nfs/dbraw/zinc/99/40/88/822994088.db2.gz FBCICIPJSAOKCO-CQSZACIVSA-N 0 0 376.485 4.242 20 30 GIEDRN C=C(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(F)c(F)c1 ZINC000186997824 822994583 /nfs/dbraw/zinc/99/45/83/822994583.db2.gz HCNVFYCLFDHPDS-VBKZILBWSA-N 0 0 397.429 4.223 20 30 GIEDRN N#Cc1c[nH]c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)c1 ZINC000175547603 822995125 /nfs/dbraw/zinc/99/51/25/822995125.db2.gz AHAIORZPCGYTMZ-UHFFFAOYSA-N 0 0 376.803 4.243 20 30 GIEDRN Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ncc1Br ZINC000570004038 822995347 /nfs/dbraw/zinc/99/53/47/822995347.db2.gz OSUONTKIHKLNAA-UHFFFAOYSA-N 0 0 376.229 4.080 20 30 GIEDRN C=CC[C@H]1N(c2nnc([C@@H]3CC[C@H](C)O3)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC000570018884 822997641 /nfs/dbraw/zinc/99/76/41/822997641.db2.gz RHHGATJSQYRQPJ-CADBVGFASA-N 0 0 388.556 4.126 20 30 GIEDRN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000570021662 822998097 /nfs/dbraw/zinc/99/80/97/822998097.db2.gz KSZSAMNYZFQIQU-MRXNPFEDSA-N 0 0 388.446 4.043 20 30 GIEDRN Cc1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1C(N)=O ZINC000175568713 822999268 /nfs/dbraw/zinc/99/92/68/822999268.db2.gz WXODYQZKUXICJG-UHFFFAOYSA-N 0 0 387.464 4.369 20 30 GIEDRN C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC000570043453 823000296 /nfs/dbraw/zinc/00/02/96/823000296.db2.gz NDWIQPCLROWXCN-AWEZNQCLSA-N 0 0 399.486 4.379 20 30 GIEDRN N#CCOc1ccccc1C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000175577478 823000956 /nfs/dbraw/zinc/00/09/56/823000956.db2.gz PQNZRDXLNAHTJM-UHFFFAOYSA-N 0 0 383.604 4.396 20 30 GIEDRN C=CCOc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000055722829 823003183 /nfs/dbraw/zinc/00/31/83/823003183.db2.gz HYPKZAKLZQRMNM-UHFFFAOYSA-N 0 0 385.420 4.171 20 30 GIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000175606128 823005592 /nfs/dbraw/zinc/00/55/92/823005592.db2.gz IRQGYBYUXJIACY-UHFFFAOYSA-N 0 0 395.463 4.216 20 30 GIEDRN C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000175618489 823007625 /nfs/dbraw/zinc/00/76/25/823007625.db2.gz SMXCCWHURHWPMJ-CQSZACIVSA-N 0 0 394.500 4.077 20 30 GIEDRN C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000175618465 823007642 /nfs/dbraw/zinc/00/76/42/823007642.db2.gz SMXCCWHURHWPMJ-AWEZNQCLSA-N 0 0 394.500 4.077 20 30 GIEDRN COc1ccc([C@@H](Cc2ccccc2)NC(=O)COc2ccccc2C#N)cc1 ZINC000570136352 823009275 /nfs/dbraw/zinc/00/92/75/823009275.db2.gz PUHSJRCLGJMGCV-JOCHJYFZSA-N 0 0 386.451 4.046 20 30 GIEDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(SCC#N)c2)C[C@@H](C)O1 ZINC000175631036 823009910 /nfs/dbraw/zinc/00/99/10/823009910.db2.gz RABLINIHJLLTAB-IAGOWNOFSA-N 0 0 395.528 4.164 20 30 GIEDRN C=CC1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000570171938 823012233 /nfs/dbraw/zinc/01/22/33/823012233.db2.gz UGKSRWGNUBFPOG-IBGZPJMESA-N 0 0 398.576 4.460 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000570180350 823012831 /nfs/dbraw/zinc/01/28/31/823012831.db2.gz DAHAAEHRRREWCN-UHFFFAOYSA-N 0 0 377.444 4.248 20 30 GIEDRN COc1c(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)cnc2ccccc21 ZINC000570193102 823013759 /nfs/dbraw/zinc/01/37/59/823013759.db2.gz SHUFJQSGCHIJPK-MRXNPFEDSA-N 0 0 381.395 4.015 20 30 GIEDRN N#CCSc1cccc(C(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC000175661467 823015076 /nfs/dbraw/zinc/01/50/76/823015076.db2.gz MAFAEUIZFZSZGT-UHFFFAOYSA-N 0 0 393.281 4.176 20 30 GIEDRN C=C(C)Cn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000570212573 823015788 /nfs/dbraw/zinc/01/57/88/823015788.db2.gz UJSHVYPKJBZGHD-IRLDBZIGSA-N 0 0 388.515 4.213 20 30 GIEDRN C=C(C)[C@@H](NC(=O)Nc1ccc(C(=O)N(C)OC)cc1)c1ccc(F)c(F)c1 ZINC000187137513 823016232 /nfs/dbraw/zinc/01/62/32/823016232.db2.gz KLDQRMUZSWNWCS-GOSISDBHSA-N 0 0 389.402 4.037 20 30 GIEDRN CCc1ccc([C@H](C#N)NC(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000570243914 823018387 /nfs/dbraw/zinc/01/83/87/823018387.db2.gz YUVDVDPWRNDDGL-INIZCTEOSA-N 0 0 379.204 4.284 20 30 GIEDRN N#C[C@]1(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CC12CCCC2 ZINC000570245220 823018528 /nfs/dbraw/zinc/01/85/28/823018528.db2.gz ZDXLHMKORKITCS-QHCPKHFHSA-N 0 0 386.455 4.326 20 30 GIEDRN C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175681696 823019315 /nfs/dbraw/zinc/01/93/15/823019315.db2.gz ZPVSXGIQRZHHBG-CYBMUJFWSA-N 0 0 395.850 4.164 20 30 GIEDRN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1 ZINC000570254668 823019897 /nfs/dbraw/zinc/01/98/97/823019897.db2.gz LAWYJHROEUDBPT-IRXDYDNUSA-N 0 0 393.466 4.344 20 30 GIEDRN CS[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C(C)(C)C ZINC000570267659 823021094 /nfs/dbraw/zinc/02/10/94/823021094.db2.gz OFVVRQVGHBWECU-SFHVURJKSA-N 0 0 393.528 4.028 20 30 GIEDRN C=CCCCC(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1 ZINC000175691151 823021404 /nfs/dbraw/zinc/02/14/04/823021404.db2.gz SYCGSDABDAYJLA-UHFFFAOYSA-N 0 0 379.247 4.331 20 30 GIEDRN 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387.487 4.150 20 30 GIEDRN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000460578972 823442306 /nfs/dbraw/zinc/44/23/06/823442306.db2.gz YYRTYNVRJRWCOX-UHFFFAOYSA-N 0 0 399.472 4.297 20 30 GIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCCC[C@H](COC)C1 ZINC000460580618 823442886 /nfs/dbraw/zinc/44/28/86/823442886.db2.gz YTCHEDQGIBSHHA-SFHVURJKSA-N 0 0 393.535 4.179 20 30 GIEDRN CCc1csc([C@@H]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C2)n1 ZINC000573063893 823443008 /nfs/dbraw/zinc/44/30/08/823443008.db2.gz AFEKZVVBRBZFEG-LLVKDONJSA-N 0 0 375.885 4.037 20 30 GIEDRN CO[C@@H]1CC[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000189557051 823443338 /nfs/dbraw/zinc/44/33/38/823443338.db2.gz QZWQLTCDSAPUOZ-RTBURBONSA-N 0 0 379.460 4.135 20 30 GIEDRN CO[C@@H]1CC[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000189557682 823443408 /nfs/dbraw/zinc/44/34/08/823443408.db2.gz PANSINAYAKVNNB-FUHWJXTLSA-N 0 0 399.878 4.480 20 30 GIEDRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2CC[C@H](O)C2)cc1Cl 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COc1cccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)c1OC ZINC000182377542 822221083 /nfs/dbraw/zinc/22/10/83/822221083.db2.gz DBPGWXWGSPKBNV-UHFFFAOYSA-N 0 0 388.423 4.298 20 30 GIEDRN N#Cc1ccc(-c2nnc(CNc3cc4c(cc3Cl)OCCCO4)o2)cc1 ZINC000178014794 822283182 /nfs/dbraw/zinc/28/31/82/822283182.db2.gz XXDJFMPVPQKOHT-UHFFFAOYSA-N 0 0 382.807 4.035 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182546073 822295141 /nfs/dbraw/zinc/29/51/41/822295141.db2.gz LXFCDNQLVLBSQO-UHFFFAOYSA-N 0 0 384.180 4.268 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000182556463 822300893 /nfs/dbraw/zinc/30/08/93/822300893.db2.gz NODFMESRCOOMIR-NSHDSACASA-N 0 0 395.429 4.233 20 30 GIEDRN O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)Nc1cc(F)ccc1F ZINC000182609761 822321236 /nfs/dbraw/zinc/32/12/36/822321236.db2.gz VFZPEZYAHFSAAX-HNNXBMFYSA-N 0 0 380.263 4.075 20 30 GIEDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000178109774 822322841 /nfs/dbraw/zinc/32/28/41/822322841.db2.gz QVSWKZIXCZNNPG-UHFFFAOYSA-N 0 0 376.464 4.169 20 30 GIEDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(F)cc2OCC#N)c1 ZINC000178150891 822334165 /nfs/dbraw/zinc/33/41/65/822334165.db2.gz BNTXHBYJUBDRAV-CQSZACIVSA-N 0 0 398.438 4.034 20 30 GIEDRN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3oc(C)c(C)c3C#N)oc21 ZINC000182655338 822340237 /nfs/dbraw/zinc/34/02/37/822340237.db2.gz CINYAIFFTOAONC-ZDUSSCGKSA-N 0 0 381.432 4.202 20 30 GIEDRN C[C@H](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000178186825 822346672 /nfs/dbraw/zinc/34/66/72/822346672.db2.gz HOXRYLSUAMJRQV-SJORKVTESA-N 0 0 377.529 4.002 20 30 GIEDRN Cc1nnc(SCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C#N)c1C ZINC000182715072 822357151 /nfs/dbraw/zinc/35/71/51/822357151.db2.gz ABSLOCANPCKVCV-CQSZACIVSA-N 0 0 380.473 4.023 20 30 GIEDRN C=CCn1c(-c2cccs2)nn(CCN2C[C@@H](C(C)(C)C)CC2=O)c1=S ZINC000182714093 822357189 /nfs/dbraw/zinc/35/71/89/822357189.db2.gz ZRHDCCWSOSNPJI-AWEZNQCLSA-N 0 0 390.578 4.223 20 30 GIEDRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000182717876 822357455 /nfs/dbraw/zinc/35/74/55/822357455.db2.gz QBOVROSKTKHOPU-UHFFFAOYSA-N 0 0 379.891 4.166 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000453411129 822358892 /nfs/dbraw/zinc/35/88/92/822358892.db2.gz CKOPWKDKOPIMES-LIRRHRJNSA-N 0 0 397.910 4.332 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(Cc2ccc(OC)cc2)CC1 ZINC000453410418 822358912 /nfs/dbraw/zinc/35/89/12/822358912.db2.gz AZYLMISEJBCFOE-UWJYYQICSA-N 0 0 396.535 4.172 20 30 GIEDRN CN(c1ccccc1NC(=O)NCc1ccc(OCC#N)cc1)C1CCCC1 ZINC000178261423 822360218 /nfs/dbraw/zinc/36/02/18/822360218.db2.gz FCPZXLGHYWFJJV-UHFFFAOYSA-N 0 0 378.476 4.289 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(Br)cc1 ZINC000453424071 822360914 /nfs/dbraw/zinc/36/09/14/822360914.db2.gz GYVMYTKAMQVBOP-INIZCTEOSA-N 0 0 391.313 4.105 20 30 GIEDRN C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453424759 822361024 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C=CCn1c([C@@H]2CCCO2)nnc1N(CC)Cc1ccccc1Br ZINC000453427888 822361671 /nfs/dbraw/zinc/36/16/71/822361671.db2.gz YOTHCCICXFJNGL-INIZCTEOSA-N 0 0 391.313 4.105 20 30 GIEDRN C=CCn1c(N2CCC(Cc3ccc(F)cc3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453433088 822362243 /nfs/dbraw/zinc/36/22/43/822362243.db2.gz CJTCGDVXUVINQX-JOCHJYFZSA-N 0 0 384.499 4.088 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@]2(C)CCCO2)n1CC=C ZINC000453434303 822362392 /nfs/dbraw/zinc/36/23/92/822362392.db2.gz FGTUSERFFDVYTP-GOSISDBHSA-N 0 0 378.929 4.397 20 30 GIEDRN C=CCn1c(N2CCc3cc(Cl)cc(Cl)c3C2)nnc1[C@]1(C)CCCO1 ZINC000453434873 822362437 /nfs/dbraw/zinc/36/24/37/822362437.db2.gz FUSWYEIEOQLEDH-IBGZPJMESA-N 0 0 393.318 4.359 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000453436448 822362788 /nfs/dbraw/zinc/36/27/88/822362788.db2.gz HZRVCJLYUMAESW-PXNSSMCTSA-N 0 0 390.890 4.434 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000453440860 822363532 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C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1ccccn1 ZINC000178311353 822366322 /nfs/dbraw/zinc/36/63/22/822366322.db2.gz XJWFTUVDKQWQJB-UHFFFAOYSA-N 0 0 394.500 4.420 20 30 GIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC000453453525 822366446 /nfs/dbraw/zinc/36/64/46/822366446.db2.gz OFCYCLJVSGRIBX-HXUWFJFHSA-N 0 0 399.520 4.153 20 30 GIEDRN C=C(C)Cn1c(CC(C)C)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000453454149 822366589 /nfs/dbraw/zinc/36/65/89/822366589.db2.gz PVQRWVNEGSAAEO-UHFFFAOYSA-N 0 0 380.536 4.121 20 30 GIEDRN C=CCOc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)cc1 ZINC000178330835 822367799 /nfs/dbraw/zinc/36/77/99/822367799.db2.gz YZZNPHDSRKSMJB-UHFFFAOYSA-N 0 0 382.401 4.237 20 30 GIEDRN C=CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCCC3)C(C)C)o2)cc1 ZINC000178330884 822367871 /nfs/dbraw/zinc/36/78/71/822367871.db2.gz XQZYGERCROIOQW-KRWDZBQOSA-N 0 0 387.505 4.041 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000453459202 822368290 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20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000453461281 822368838 /nfs/dbraw/zinc/36/88/38/822368838.db2.gz FZMQINZXDUSLOJ-XLIONFOSSA-N 0 0 384.524 4.029 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)Cc1ccccc1Br ZINC000453462595 822369283 /nfs/dbraw/zinc/36/92/83/822369283.db2.gz IHDLBLJCPSETBK-INIZCTEOSA-N 0 0 391.313 4.105 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CCOc1ccccc1Cl ZINC000453463576 822369697 /nfs/dbraw/zinc/36/96/97/822369697.db2.gz JWXHZBXOPLXNFT-GOSISDBHSA-N 0 0 390.915 4.264 20 30 GIEDRN CC(C)OC(=O)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000045218334 822370913 /nfs/dbraw/zinc/37/09/13/822370913.db2.gz BEEZDBLSKPEFFE-SFHVURJKSA-N 0 0 399.878 4.459 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000453468321 822371053 /nfs/dbraw/zinc/37/10/53/822371053.db2.gz YBTIGROZLAANAB-NJSLBKSFSA-N 0 0 388.462 4.496 20 30 GIEDRN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000453467789 822371076 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CC(C)(C)CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccccc2F)cc1 ZINC000163513390 823717478 /nfs/dbraw/zinc/71/74/78/823717478.db2.gz RGBPJWYGILOWAF-IBGZPJMESA-N 0 0 381.451 4.124 20 30 GIEDRN N#C[C@@]1(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC12CCCC2 ZINC000574396974 823719109 /nfs/dbraw/zinc/71/91/09/823719109.db2.gz ZAJYJTCJUXHSIF-HSZRJFAPSA-N 0 0 391.446 4.168 20 30 GIEDRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCC(CCC#N)CC2)c1 ZINC000574403166 823720591 /nfs/dbraw/zinc/72/05/91/823720591.db2.gz YVKSWSAMAVUZMB-UHFFFAOYSA-N 0 0 382.533 4.124 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000063960976 823721927 /nfs/dbraw/zinc/72/19/27/823721927.db2.gz QIUQBWXNARFYSV-UHFFFAOYSA-N 0 0 378.432 4.264 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000063961963 823722325 /nfs/dbraw/zinc/72/23/25/823722325.db2.gz KICZXMCBQATLQP-UHFFFAOYSA-N 0 0 381.233 4.067 20 30 GIEDRN Cc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)c(OC[C@H]2CCOC2)c1 ZINC000413182423 823723003 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C=CCn1c(COc2ccccc2CC)nnc1N1CCC2(CCOCC2)[C@H]1C ZINC000574439276 823729973 /nfs/dbraw/zinc/72/99/73/823729973.db2.gz NCJAXVLZUJHQNA-GOSISDBHSA-N 0 0 396.535 4.001 20 30 GIEDRN COc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)ccc1C ZINC000125858516 823730690 /nfs/dbraw/zinc/73/06/90/823730690.db2.gz QJXNDFWIGVLMFD-UHFFFAOYSA-N 0 0 378.457 4.035 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)c1nnc(C(C)C)n1C[C@H]1CCCCO1 ZINC000461878722 823735115 /nfs/dbraw/zinc/73/51/15/823735115.db2.gz RZUVJDYFFLMQTK-LJQANCHMSA-N 0 0 399.495 4.071 20 30 GIEDRN CN(C)C(=O)c1cc(NCc2cc(C#N)ccc2Br)ccc1Cl ZINC000191696504 823738475 /nfs/dbraw/zinc/73/84/75/823738475.db2.gz SGQKLXNTZNLHGM-UHFFFAOYSA-N 0 0 392.684 4.288 20 30 GIEDRN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000064070016 823742916 /nfs/dbraw/zinc/74/29/16/823742916.db2.gz ZJZQPKJGISYSSB-UHFFFAOYSA-N 0 0 377.473 4.125 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000064092086 823745231 /nfs/dbraw/zinc/74/52/31/823745231.db2.gz 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CC(C)c1nc([C@@H]2CCCN2Cc2cc(C#N)ccc2Br)no1 ZINC000191780023 823765822 /nfs/dbraw/zinc/76/58/22/823765822.db2.gz HEVCZRJJYDYQHT-HNNXBMFYSA-N 0 0 375.270 4.164 20 30 GIEDRN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000574560026 823766423 /nfs/dbraw/zinc/76/64/23/823766423.db2.gz PBMBETZAEGSXKC-INIZCTEOSA-N 0 0 376.451 4.247 20 30 GIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000461941278 823766560 /nfs/dbraw/zinc/76/65/60/823766560.db2.gz NNOFPPIKSBHPKD-QPUJVOFHSA-N 0 0 378.206 4.086 20 30 GIEDRN C#CCN(C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C1CCCC1 ZINC000163982215 823768303 /nfs/dbraw/zinc/76/83/03/823768303.db2.gz WRIJXUAGQRSQIV-UHFFFAOYSA-N 0 0 376.460 4.290 20 30 GIEDRN Cc1cc(NCCOCC(F)(F)C(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949514 823769353 /nfs/dbraw/zinc/76/93/53/823769353.db2.gz QTAGHADNSLAASI-UHFFFAOYSA-N 0 0 378.244 4.251 20 30 GIEDRN Cc1nc(N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c(Cl)cc1C#N ZINC000461955620 823770549 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C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(Nc2ccc(OC)cc2)s1 ZINC000023361725 818927724 /nfs/dbraw/zinc/92/77/24/818927724.db2.gz ABLPPCUGJHFZIW-ZDUSSCGKSA-N 0 0 392.550 4.196 20 30 GIEDRN C=CCc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000023385365 818931077 /nfs/dbraw/zinc/93/10/77/818931077.db2.gz SECITHNPHIEEIO-QFIPXVFZSA-N 0 0 395.499 4.018 20 30 GIEDRN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H](C)c1cnn(C)c1 ZINC000460393694 823374620 /nfs/dbraw/zinc/37/46/20/823374620.db2.gz KEOJAACIHLYANO-KRWDZBQOSA-N 0 0 396.564 4.386 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)NC(C)(C)CC)nc2sc(C)c(C)c2c1=O ZINC000023405097 818934361 /nfs/dbraw/zinc/93/43/61/818934361.db2.gz YPCYCXCIXDSADN-ZDUSSCGKSA-N 0 0 393.578 4.046 20 30 GIEDRN N#Cc1ccccc1-c1ccc(COC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000023444579 818941774 /nfs/dbraw/zinc/94/17/74/818941774.db2.gz VNARJYPOCZELOO-UHFFFAOYSA-N 0 0 388.379 4.256 20 30 GIEDRN C=CCn1c(SCC(=O)c2cc(C)[nH]c2C)nnc1-c1ccc(OC)cc1 ZINC000023454897 818943130 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C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000180731221 821422321 /nfs/dbraw/zinc/42/23/21/821422321.db2.gz MLNODHNUPIGUOB-UHFFFAOYSA-N 0 0 379.338 4.145 20 30 GIEDRN Cc1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)nn1-c1cccc(F)c1 ZINC000180733859 821423569 /nfs/dbraw/zinc/42/35/69/821423569.db2.gz OMCWILKXTYDGAR-IBGZPJMESA-N 0 0 377.423 4.486 20 30 GIEDRN COCCN(C(=O)c1cccc(Br)c1Cl)c1ccc(C#N)cc1 ZINC000180751379 821433792 /nfs/dbraw/zinc/43/37/92/821433792.db2.gz LTSYROGQIUYPET-UHFFFAOYSA-N 0 0 393.668 4.267 20 30 GIEDRN Cc1nc(C)c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000043701878 821443673 /nfs/dbraw/zinc/44/36/73/821443673.db2.gz VSNRWWRKWGAJOG-UHFFFAOYSA-N 0 0 387.515 4.028 20 30 GIEDRN N#CC1(c2ccc(C(=O)N3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000180768122 821443978 /nfs/dbraw/zinc/44/39/78/821443978.db2.gz URNFYRYSOWVHSM-SFTDATJTSA-N 0 0 378.447 4.109 20 30 GIEDRN CC(C)c1c(C(=O)NCc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000043742560 821450655 /nfs/dbraw/zinc/45/06/55/821450655.db2.gz 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ZINC000180907798 821529258 /nfs/dbraw/zinc/52/92/58/821529258.db2.gz HWWLWAVJYBXRPP-AWEZNQCLSA-N 0 0 390.530 4.050 20 30 GIEDRN COCCc1nc(C)c([C@@H](C)OC(=O)CSCc2ccc(C#N)cc2)s1 ZINC000180907783 821529361 /nfs/dbraw/zinc/52/93/61/821529361.db2.gz HWWLWAVJYBXRPP-CQSZACIVSA-N 0 0 390.530 4.050 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000180917200 821536707 /nfs/dbraw/zinc/53/67/07/821536707.db2.gz ODXRRBWXUMEQOG-MRXNPFEDSA-N 0 0 391.471 4.218 20 30 GIEDRN CCn1c2cc(Br)ccc2nc1NC(=O)c1cccc(CC#N)c1 ZINC000180919164 821537932 /nfs/dbraw/zinc/53/79/32/821537932.db2.gz TYPMYBIGCIPYAD-UHFFFAOYSA-N 0 0 383.249 4.137 20 30 GIEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(C)CCCCCC1 ZINC000180957722 821556162 /nfs/dbraw/zinc/55/61/62/821556162.db2.gz QEFMXKPQXFRCOO-MRXNPFEDSA-N 0 0 387.549 4.496 20 30 GIEDRN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000180965454 821560121 /nfs/dbraw/zinc/56/01/21/821560121.db2.gz XDRHQDBYWOFBMT-MRXNPFEDSA-N 0 0 385.508 4.005 20 30 GIEDRN C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000044354559 821575728 /nfs/dbraw/zinc/57/57/28/821575728.db2.gz BLYKBDOKTAZDAL-OAHLLOKOSA-N 0 0 397.500 4.157 20 30 GIEDRN C=CCn1c(SCc2nnc(C3CC3)n2C2CC2)nnc1-c1ccoc1C ZINC000181005038 821588012 /nfs/dbraw/zinc/58/80/12/821588012.db2.gz YVJPYVCVARCQIP-UHFFFAOYSA-N 0 0 382.493 4.129 20 30 GIEDRN C=CCN(CC=C)C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000044469889 821588461 /nfs/dbraw/zinc/58/84/61/821588461.db2.gz UHDDJAITNNHHFX-UHFFFAOYSA-N 0 0 389.249 4.109 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 ZINC000044540962 821603077 /nfs/dbraw/zinc/60/30/77/821603077.db2.gz USXXBLGDUJMSJA-UHFFFAOYSA-N 0 0 384.863 4.393 20 30 GIEDRN C=CCOc1ccccc1C(=O)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000181034421 821604316 /nfs/dbraw/zinc/60/43/16/821604316.db2.gz YDNIFCYHCPTPFB-LBPRGKRZSA-N 0 0 381.398 4.118 20 30 GIEDRN CC(C)c1nc([C@@H]2CCCN2Cc2ccc(C#N)cc2Br)no1 ZINC000181043369 821608570 /nfs/dbraw/zinc/60/85/70/821608570.db2.gz IXKIIZDCFADISL-HNNXBMFYSA-N 0 0 375.270 4.164 20 30 GIEDRN N#Cc1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1C(F)(F)F ZINC000181050129 821611212 /nfs/dbraw/zinc/61/12/12/821611212.db2.gz MERONXXTTQOBSR-UHFFFAOYSA-N 0 0 390.386 4.437 20 30 GIEDRN COCc1ccccc1CNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000181066363 821616316 /nfs/dbraw/zinc/61/63/16/821616316.db2.gz UHTVLYNMGPBRQB-UHFFFAOYSA-N 0 0 394.418 4.132 20 30 GIEDRN COC(=O)Nc1ccc(N[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1F ZINC000181080309 821622478 /nfs/dbraw/zinc/62/24/78/821622478.db2.gz QEEARRNCBNGZHF-OAHLLOKOSA-N 0 0 398.438 4.060 20 30 GIEDRN CN(Cc1nc2c(s1)CCCC2)Cc1ccc(C#N)cc1Br ZINC000181132312 821652763 /nfs/dbraw/zinc/65/27/63/821652763.db2.gz MNGWJQWSDMFEST-UHFFFAOYSA-N 0 0 376.323 4.288 20 30 GIEDRN Cc1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc1SCC#N ZINC000044788933 821662266 /nfs/dbraw/zinc/66/22/66/821662266.db2.gz GCZNOHCCEGBPAL-LLVKDONJSA-N 0 0 381.910 4.435 20 30 GIEDRN COc1ccc(CCC(=O)Nc2nc(C)c(SCC#N)s2)cc1Cl ZINC000044789419 821662387 /nfs/dbraw/zinc/66/23/87/821662387.db2.gz YNSMZJXXJUKZSQ-UHFFFAOYSA-N 0 0 381.910 4.301 20 30 GIEDRN Cc1nc(SCC(=O)NCCc2ccc(Cl)s2)c(C#N)c(C)c1C ZINC000044810695 821667163 /nfs/dbraw/zinc/66/71/63/821667163.db2.gz GTOBEMLOPRFJEY-UHFFFAOYSA-N 0 0 379.938 4.044 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000044842248 821670706 /nfs/dbraw/zinc/67/07/06/821670706.db2.gz IHDNFKWQYODPFE-UHFFFAOYSA-N 0 0 389.249 4.109 20 30 GIEDRN CCOC(=O)C1(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCC1 ZINC000181206128 821696982 /nfs/dbraw/zinc/69/69/82/821696982.db2.gz AMTHDUOHWNFPAL-UHFFFAOYSA-N 0 0 378.428 4.331 20 30 GIEDRN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000181211805 821699530 /nfs/dbraw/zinc/69/95/30/821699530.db2.gz RZKVAXXSLJTQCT-QGZVFWFLSA-N 0 0 393.918 4.414 20 30 GIEDRN COCc1csc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000181223528 821704970 /nfs/dbraw/zinc/70/49/70/821704970.db2.gz FJQDTDJLXMNSBS-UHFFFAOYSA-N 0 0 378.457 4.150 20 30 GIEDRN CC(C)(C)OC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000181250459 821718148 /nfs/dbraw/zinc/71/81/48/821718148.db2.gz FGRRMQVFSZEDLK-QGZVFWFLSA-N 0 0 398.846 4.256 20 30 GIEDRN N#C[C@@H](C(=O)C=Cc1ccnc(Cl)c1)C(=O)Nc1cccc2ccccc21 ZINC000181252531 821719002 /nfs/dbraw/zinc/71/90/02/821719002.db2.gz KXWXRXUXGIXKDH-IJDCCNJMSA-N 0 0 375.815 4.249 20 30 GIEDRN C=CCOc1ccccc1CNC(=O)Nc1ccc(Br)nc1C ZINC000181324417 821759477 /nfs/dbraw/zinc/75/94/77/821759477.db2.gz HYNMKJKBAJDPDW-UHFFFAOYSA-N 0 0 376.254 4.039 20 30 GIEDRN N#Cc1cc(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c[nH]1 ZINC000181342854 821774041 /nfs/dbraw/zinc/77/40/41/821774041.db2.gz QFWKMYKRVXAVMJ-UHFFFAOYSA-N 0 0 384.361 4.143 20 30 GIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000181344451 821774510 /nfs/dbraw/zinc/77/45/10/821774510.db2.gz MJNWTPPNPBAXGG-MRXNPFEDSA-N 0 0 389.455 4.176 20 30 GIEDRN COCCOc1ccc(C#N)cc1N[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000181344659 821775242 /nfs/dbraw/zinc/77/52/42/821775242.db2.gz FUYYBGSUADQVOX-CQSZACIVSA-N 0 0 396.422 4.254 20 30 GIEDRN Cn1c(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nnc1C1CCC1 ZINC000181444579 821829053 /nfs/dbraw/zinc/82/90/53/821829053.db2.gz DXMPHMUIFFPELZ-UHFFFAOYSA-N 0 0 389.478 4.296 20 30 GIEDRN COCCOc1c(Cl)cc(NC(=O)NCc2cccc(C#N)c2)cc1Cl ZINC000181460536 821836633 /nfs/dbraw/zinc/83/66/33/821836633.db2.gz NDYYUWGFVDTTRI-UHFFFAOYSA-N 0 0 394.258 4.212 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000181466948 821839450 /nfs/dbraw/zinc/83/94/50/821839450.db2.gz AAHHNBXENVBEIW-CQSZACIVSA-N 0 0 384.863 4.103 20 30 GIEDRN C=CCOCCCC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495738 821852697 /nfs/dbraw/zinc/85/26/97/821852697.db2.gz YJXOFJCUELEPDX-UHFFFAOYSA-N 0 0 385.335 4.057 20 30 GIEDRN N#CC1(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC000181496186 821853178 /nfs/dbraw/zinc/85/31/78/821853178.db2.gz GHLQLQUHBXIXNS-UHFFFAOYSA-N 0 0 380.319 4.158 20 30 GIEDRN C=CCn1c(S[C@@H](C)c2nc(COC)no2)nnc1-c1ccc(Cl)cc1 ZINC000181496943 821853620 /nfs/dbraw/zinc/85/36/20/821853620.db2.gz XPBVIXPTIVGLGV-NSHDSACASA-N 0 0 391.884 4.167 20 30 GIEDRN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)n(-c2ccccc2)n1 ZINC000181575174 821885675 /nfs/dbraw/zinc/88/56/75/821885675.db2.gz HBRKVDZYOUVCCS-QGZVFWFLSA-N 0 0 384.483 4.097 20 30 GIEDRN N#Cc1ccc(OCc2cccc(C(=O)NCc3ccc(Cl)cn3)c2)cc1 ZINC000181643113 821919155 /nfs/dbraw/zinc/91/91/55/821919155.db2.gz ZQCZLQZVCAUYIM-UHFFFAOYSA-N 0 0 377.831 4.116 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C(C)(C)O ZINC000181647019 821920858 /nfs/dbraw/zinc/92/08/58/821920858.db2.gz ZASXBSGWMBKNAG-FQEVSTJZSA-N 0 0 379.460 4.426 20 30 GIEDRN C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000181672413 821937188 /nfs/dbraw/zinc/93/71/88/821937188.db2.gz ODZSBZQVLCMMQC-CYBMUJFWSA-N 0 0 392.846 4.436 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000181736555 821968953 /nfs/dbraw/zinc/96/89/53/821968953.db2.gz VXYBOLMTKZEHSX-XLIONFOSSA-N 0 0 391.471 4.060 20 30 GIEDRN CC[C@H](CSC)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000181739064 821970325 /nfs/dbraw/zinc/97/03/25/821970325.db2.gz BTKUWWYRRHHMLF-MRXNPFEDSA-N 0 0 382.489 4.074 20 30 GIEDRN N#CC1(NC(=O)c2ccc(-c3ccc(Br)s3)s2)CCOCC1 ZINC000181768331 821984675 /nfs/dbraw/zinc/98/46/75/821984675.db2.gz SAVVCUUXBZIZPX-UHFFFAOYSA-N 0 0 397.319 4.042 20 30 GIEDRN CCN(CC)C(=O)CCC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000181805016 822000011 /nfs/dbraw/zinc/00/00/11/822000011.db2.gz QOJCJRNFNOEHKI-UHFFFAOYSA-N 0 0 381.442 4.442 20 30 GIEDRN CN(CCC#N)c1ccc(CNc2nnc(Cc3cccc(F)c3)s2)cc1 ZINC000181820318 822005651 /nfs/dbraw/zinc/00/56/51/822005651.db2.gz JZQXIUJKXRDIIB-UHFFFAOYSA-N 0 0 381.480 4.230 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181859295 822018642 /nfs/dbraw/zinc/01/86/42/822018642.db2.gz FLPFBRNPJSUVFK-UHFFFAOYSA-N 0 0 396.843 4.192 20 30 GIEDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCO1 ZINC000181938172 822040824 /nfs/dbraw/zinc/04/08/24/822040824.db2.gz AXHGRYHANSOHKL-UGKGYDQZSA-N 0 0 399.535 4.095 20 30 GIEDRN N#Cc1ccc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)nc1 ZINC000181974066 822049967 /nfs/dbraw/zinc/04/99/67/822049967.db2.gz YALMCJJMTBXQAD-UHFFFAOYSA-N 0 0 399.273 4.015 20 30 GIEDRN CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000182026504 822066717 /nfs/dbraw/zinc/06/67/17/822066717.db2.gz ITVOFAXCDWVEGL-IBGZPJMESA-N 0 0 376.456 4.055 20 30 GIEDRN CCc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnn1-c1ccc(F)cc1 ZINC000182049021 822073509 /nfs/dbraw/zinc/07/35/09/822073509.db2.gz DNUAEHCMYGIWON-CQSZACIVSA-N 0 0 378.407 4.117 20 30 GIEDRN CCc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1-c1ccc(F)cc1 ZINC000182049006 822073541 /nfs/dbraw/zinc/07/35/41/822073541.db2.gz DNUAEHCMYGIWON-AWEZNQCLSA-N 0 0 378.407 4.117 20 30 GIEDRN Cc1cc(NCc2cn(C)nc2-c2ccc(C#N)cc2)ncc1Br ZINC000182175257 822132310 /nfs/dbraw/zinc/13/23/10/822132310.db2.gz LZIGXUQEOJDFMJ-UHFFFAOYSA-N 0 0 382.265 4.037 20 30 GIEDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000182183581 822136776 /nfs/dbraw/zinc/13/67/76/822136776.db2.gz ANUVSFNPHGTTND-VIFPVBQESA-N 0 0 396.438 4.226 20 30 GIEDRN Cc1nccn1-c1ccc(C(=O)/C=C/c2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000182293259 822190778 /nfs/dbraw/zinc/19/07/78/822190778.db2.gz DVQFTKNDSDDJIF-FMIVXFBMSA-N 0 0 393.450 4.349 20 30 GIEDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000182307531 822196718 /nfs/dbraw/zinc/19/67/18/822196718.db2.gz JEWHICHINHBHNM-UHFFFAOYSA-N 0 0 385.292 4.241 20 30 GIEDRN C=CCN(C(=O)c1ccnc(OCCOC)c1)c1nc(-c2ccccc2)cs1 ZINC000182356132 822213136 /nfs/dbraw/zinc/21/31/36/822213136.db2.gz YGJIKAQTBMNRHO-UHFFFAOYSA-N 0 0 395.484 4.063 20 30 GIEDRN C=CCn1c(SCc2nc(COC)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000182376924 822220769 /nfs/dbraw/zinc/22/07/69/822220769.db2.gz QEWSKOAHZDJZSB-UHFFFAOYSA-N 0 0 399.520 4.250 20 30 GIEDRN N#CCCN(Cc1ccco1)Cc1cc2c(cc1Br)OCCCO2 ZINC000182390403 822226055 /nfs/dbraw/zinc/22/60/55/822226055.db2.gz NCSKKMDDSFEMAE-UHFFFAOYSA-N 0 0 391.265 4.119 20 30 GIEDRN N#C[C@H](NC(=O)COc1cccc2cccnc21)c1cccc(Cl)c1Cl ZINC000182407556 822232529 /nfs/dbraw/zinc/23/25/29/822232529.db2.gz ZOPVAQAWDOENTD-HNNXBMFYSA-N 0 0 386.238 4.301 20 30 GIEDRN C=CCOc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000182474510 822256887 /nfs/dbraw/zinc/25/68/87/822256887.db2.gz YTPKLKNZWLIFRM-PXNSSMCTSA-N 0 0 387.863 4.173 20 30 GIEDRN C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)Cc1ccc(OCC#N)cc1 ZINC000177991881 822273221 /nfs/dbraw/zinc/27/32/21/822273221.db2.gz BMFCICRCPAXLJA-CABCVRRESA-N 0 0 380.469 4.477 20 30 GIEDRN C[C@H](NC(=O)c1ccccc1Oc1ccccc1C#N)c1ccc2c(c1)CC(=O)N2 ZINC000182512869 822276208 /nfs/dbraw/zinc/27/62/08/822276208.db2.gz HRFINKFCDITVRD-HNNXBMFYSA-N 0 0 397.434 4.336 20 30 GIEDRN N#Cc1ccccc1/C=C/C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000177997939 822276248 /nfs/dbraw/zinc/27/62/48/822276248.db2.gz QIJKARCHWHITCD-XIQMRYHBSA-N 0 0 398.462 4.000 20 30 GIEDRN Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C)c1 ZINC000178068378 822308141 /nfs/dbraw/zinc/30/81/41/822308141.db2.gz AHLICNNWRHKCBE-GOSISDBHSA-N 0 0 383.879 4.362 20 30 GIEDRN C=CCCC[C@H](C)NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000182581934 822311530 /nfs/dbraw/zinc/31/15/30/822311530.db2.gz XFYUVEHGAHVIDV-NSHDSACASA-N 0 0 386.805 4.414 20 30 GIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)c1 ZINC000182596879 822317145 /nfs/dbraw/zinc/31/71/45/822317145.db2.gz CZXVSQRUKPNBNY-UHFFFAOYSA-N 0 0 393.777 4.249 20 30 GIEDRN O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)Nc1cc(F)ccc1F ZINC000182609780 822321366 /nfs/dbraw/zinc/32/13/66/822321366.db2.gz VFZPEZYAHFSAAX-OAHLLOKOSA-N 0 0 380.263 4.075 20 30 GIEDRN N#C[C@H]1CN(C(=O)N[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CCO1 ZINC000182644727 822337236 /nfs/dbraw/zinc/33/72/36/822337236.db2.gz LUQPGZMMBBLJEM-MAUKXSAKSA-N 0 0 390.270 4.017 20 30 GIEDRN 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C[C@H](NC(=O)NCC#Cc1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000048415911 822660525 /nfs/dbraw/zinc/66/05/25/822660525.db2.gz ZKJCGKLSOAUSAC-IBGZPJMESA-N 0 0 385.467 4.073 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C[C@H](C)O)C2CCCCC2)cc1 ZINC000184581914 822661149 /nfs/dbraw/zinc/66/11/49/822661149.db2.gz PFVJJPXMBKMGIA-SFHVURJKSA-N 0 0 399.535 4.048 20 30 GIEDRN C=CCC1(CNC(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)CCCC1 ZINC000455477178 822661984 /nfs/dbraw/zinc/66/19/84/822661984.db2.gz KURSXCYSZSQAAR-HNNXBMFYSA-N 0 0 391.537 4.221 20 30 GIEDRN C=CCC1(CNC(=O)N2CCC[C@@H]2c2nc(C(=O)OCC)cs2)CCCC1 ZINC000455480903 822662827 /nfs/dbraw/zinc/66/28/27/822662827.db2.gz QJXTWZSRXMGQES-MRXNPFEDSA-N 0 0 391.537 4.303 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180324672 822663387 /nfs/dbraw/zinc/66/33/87/822663387.db2.gz YABJLZCHVYXAFZ-UHFFFAOYSA-N 0 0 387.399 4.431 20 30 GIEDRN C=CCC1(CNC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CCCC1 ZINC000455484845 822663542 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Cc1ccc(C)c(OC2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)c1 ZINC000455527956 822670916 /nfs/dbraw/zinc/67/09/16/822670916.db2.gz ACQWXQNJNMBFSK-UHFFFAOYSA-N 0 0 381.451 4.067 20 30 GIEDRN N#Cc1ccsc1N1CC[C@H](Sc2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000180390787 822674695 /nfs/dbraw/zinc/67/46/95/822674695.db2.gz MHBSMULNHNRRPD-AWEZNQCLSA-N 0 0 393.415 4.408 20 30 GIEDRN N#Cc1ccccc1OC1CCC(NC(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455566060 822675553 /nfs/dbraw/zinc/67/55/53/822675553.db2.gz MCKZTYABZQDVMO-UHFFFAOYSA-N 0 0 389.377 4.487 20 30 GIEDRN CCc1nc([C@@H](C)NCC(=O)Nc2ccccc2S[C@H](C)CC#N)cs1 ZINC000184689740 822677214 /nfs/dbraw/zinc/67/72/14/822677214.db2.gz DUHGZBDJBYVPNT-ZIAGYGMSSA-N 0 0 388.562 4.389 20 30 GIEDRN N#Cc1cccc(OC2CCN(C(=O)N[C@@H](c3ccccc3)C(F)F)CC2)c1 ZINC000455587647 822679222 /nfs/dbraw/zinc/67/92/22/822679222.db2.gz GHVXLLURZFHSRA-IBGZPJMESA-N 0 0 385.414 4.117 20 30 GIEDRN Cc1cccc([C@H](C)NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000455590300 822679818 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COc1ccccc1C1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CCCC1 ZINC000054688248 822906343 /nfs/dbraw/zinc/90/63/43/822906343.db2.gz KJGIAHSTSQDAHT-UHFFFAOYSA-N 0 0 377.488 4.220 20 30 GIEDRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1 ZINC000054727014 822907988 /nfs/dbraw/zinc/90/79/88/822907988.db2.gz LEKJWJPZMDQDHM-WMZOPIPTSA-N 0 0 380.492 4.080 20 30 GIEDRN N#C[C@@H](C(=O)CCCOc1cccc2ccccc21)c1nnc2n1CCCCC2 ZINC000054727223 822908064 /nfs/dbraw/zinc/90/80/64/822908064.db2.gz PDMCDJYGCZMHSX-IBGZPJMESA-N 0 0 388.471 4.193 20 30 GIEDRN C[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)Nc1cccc(C#N)c1 ZINC000186531723 822909336 /nfs/dbraw/zinc/90/93/36/822909336.db2.gz LIWGXYDIUVFVEQ-GOEBONIOSA-N 0 0 399.878 4.066 20 30 GIEDRN C[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)Nc1ccccc1C#N ZINC000186532187 822909649 /nfs/dbraw/zinc/90/96/49/822909649.db2.gz ZQNHJJCJCJJWFA-GJZGRUSLSA-N 0 0 399.878 4.066 20 30 GIEDRN COC[C@@H](C)n1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000186533256 822909661 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C=CCCCNC(=O)C(=O)N(Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000569644871 822949281 /nfs/dbraw/zinc/94/92/81/822949281.db2.gz PJWMPYRIBDHTPD-UHFFFAOYSA-N 0 0 394.515 4.182 20 30 GIEDRN N#CCc1ccc(C[S@@](=O)Cc2csc(CCc3ccccc3)n2)cc1 ZINC000569645016 822949471 /nfs/dbraw/zinc/94/94/71/822949471.db2.gz UCFMVORTFCYWAE-AREMUKBSSA-N 0 0 380.538 4.443 20 30 GIEDRN CCNC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000055286706 822949535 /nfs/dbraw/zinc/94/95/35/822949535.db2.gz NYMCSPIXEIWMCI-UHFFFAOYSA-N 0 0 399.450 4.139 20 30 GIEDRN COCC[C@@](C)(C#N)NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC000569646692 822949742 /nfs/dbraw/zinc/94/97/42/822949742.db2.gz NZGNHARMIZISDY-DEOSSOPVSA-N 0 0 387.483 4.188 20 30 GIEDRN Cc1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)nc1C ZINC000458011876 822950171 /nfs/dbraw/zinc/95/01/71/822950171.db2.gz LOGXIDYTELVNCT-UHFFFAOYSA-N 0 0 396.922 4.146 20 30 GIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000175374205 822950654 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C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(COCCOCC)c1 ZINC000063392181 823667121 /nfs/dbraw/zinc/66/71/21/823667121.db2.gz HNFATBUICAHJDK-UHFFFAOYSA-N 0 0 393.487 4.331 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000063391643 823667137 /nfs/dbraw/zinc/66/71/37/823667137.db2.gz RABFUGWRYCETOQ-UHFFFAOYSA-N 0 0 376.460 4.435 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1OCCCOC ZINC000063394026 823667265 /nfs/dbraw/zinc/66/72/65/823667265.db2.gz VLPWAHYTDZSYFH-UHFFFAOYSA-N 0 0 379.460 4.194 20 30 GIEDRN C[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC000125316888 823667431 /nfs/dbraw/zinc/66/74/31/823667431.db2.gz OUAMGSJJIBATPZ-LBPRGKRZSA-N 0 0 375.291 4.383 20 30 GIEDRN COCCNc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000191285088 823667473 /nfs/dbraw/zinc/66/74/73/823667473.db2.gz VJGMCPHVOCDNJY-UHFFFAOYSA-N 0 0 391.427 4.041 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nc2ccccc2s1 ZINC000063399998 823668047 /nfs/dbraw/zinc/66/80/47/823668047.db2.gz HDVBKGYLRMLODT-UHFFFAOYSA-N 0 0 382.445 4.102 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000063401618 823668357 /nfs/dbraw/zinc/66/83/57/823668357.db2.gz BNBFCEJKKSPVIC-UHFFFAOYSA-N 0 0 390.487 4.172 20 30 GIEDRN N#CCN(C(=O)c1oc2ccccc2c1CSc1ncccn1)C1CCCC1 ZINC000125331931 823668537 /nfs/dbraw/zinc/66/85/37/823668537.db2.gz HWEBWPZNWKMTGG-UHFFFAOYSA-N 0 0 392.484 4.423 20 30 GIEDRN CC[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)CC(F)(F)F ZINC000412637436 823669242 /nfs/dbraw/zinc/66/92/42/823669242.db2.gz NZCMWVAHECFFLK-ZDUSSCGKSA-N 0 0 380.366 4.439 20 30 GIEDRN CC[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)CC(F)(F)F ZINC000412640534 823669564 /nfs/dbraw/zinc/66/95/64/823669564.db2.gz VLLXMZPVOPJOBY-ZDUSSCGKSA-N 0 0 377.366 4.454 20 30 GIEDRN C=CCn1c(SCc2nnc(-c3ccccc3)s2)nnc1-c1cccnc1 ZINC000125393271 823672785 /nfs/dbraw/zinc/67/27/85/823672785.db2.gz LEFHJHXTFFNWBU-UHFFFAOYSA-N 0 0 392.513 4.337 20 30 GIEDRN N#CCCCOc1cccc(NCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000063462256 823673033 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CC(C)Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCCO1 ZINC000461668849 823678147 /nfs/dbraw/zinc/67/81/47/823678147.db2.gz OVYFDINWTLPIPY-OAQYLSRUSA-N 0 0 393.535 4.086 20 30 GIEDRN Cc1cnn(-c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2F)c1 ZINC000125472544 823679082 /nfs/dbraw/zinc/67/90/82/823679082.db2.gz UKUQGCLWKSNYIB-UHFFFAOYSA-N 0 0 389.390 4.136 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)C1=Cc2cccc(OCC)c2OC1 ZINC000461682637 823680481 /nfs/dbraw/zinc/68/04/81/823680481.db2.gz ONPCLWCPJNFFKO-UHFFFAOYSA-N 0 0 377.444 4.193 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000063576423 823680539 /nfs/dbraw/zinc/68/05/39/823680539.db2.gz KGTBYSAXSMGFLO-UHFFFAOYSA-N 0 0 379.847 4.049 20 30 GIEDRN N#Cc1ccc(NCC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 ZINC000063586682 823681344 /nfs/dbraw/zinc/68/13/44/823681344.db2.gz GWFVMFDVKGFNRN-QGZVFWFLSA-N 0 0 388.496 4.338 20 30 GIEDRN N#CCCn1ccc(NC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)n1 ZINC000191416144 823682781 /nfs/dbraw/zinc/68/27/81/823682781.db2.gz OVKBTDWRKFXZQQ-UHFFFAOYSA-N 0 0 390.378 4.388 20 30 GIEDRN COC(=O)c1ccc(OC(C)C)c(NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000063621153 823683758 /nfs/dbraw/zinc/68/37/58/823683758.db2.gz JLKDPUUGMUACFT-UHFFFAOYSA-N 0 0 398.484 4.004 20 30 GIEDRN CCC[C@H](C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 ZINC000461701094 823683779 /nfs/dbraw/zinc/68/37/79/823683779.db2.gz MTWZRVJDVUTEEF-HFSMHLIXSA-N 0 0 393.535 4.258 20 30 GIEDRN C=CC[C@@H]1N(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC2)CCCC1(C)C ZINC000461701746 823683795 /nfs/dbraw/zinc/68/37/95/823683795.db2.gz XMIBGWXYKOQXMT-MJGOQNOKSA-N 0 0 384.524 4.454 20 30 GIEDRN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000412804910 823684133 /nfs/dbraw/zinc/68/41/33/823684133.db2.gz FVQWINMVDBGGOI-INIZCTEOSA-N 0 0 389.455 4.474 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1sc(-c2ccccn2)nc1C ZINC000461705404 823684588 /nfs/dbraw/zinc/68/45/88/823684588.db2.gz SCQUMHSVYYAABT-UHFFFAOYSA-N 0 0 377.473 4.459 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000412812439 823684682 /nfs/dbraw/zinc/68/46/82/823684682.db2.gz DVOKMZBBGSFWEV-CYBMUJFWSA-N 0 0 375.444 4.490 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000412812254 823684716 /nfs/dbraw/zinc/68/47/16/823684716.db2.gz DHQUZHWYEBYHLG-QGZVFWFLSA-N 0 0 395.528 4.250 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Cl ZINC000125557119 823684983 /nfs/dbraw/zinc/68/49/83/823684983.db2.gz HVZVRCVXXNOQTE-UHFFFAOYSA-N 0 0 383.835 4.110 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCCN1c2ccccc2CC1=O ZINC000191441872 823685608 /nfs/dbraw/zinc/68/56/08/823685608.db2.gz JCGVSCMADLCJIA-UHFFFAOYSA-N 0 0 377.488 4.249 20 30 GIEDRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1cc(C#N)ccc1OC(C)C ZINC000063640771 823685864 /nfs/dbraw/zinc/68/58/64/823685864.db2.gz DSDKSKAPAHUVSU-CVEARBPZSA-N 0 0 381.476 4.032 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1Cl ZINC000125567241 823685994 /nfs/dbraw/zinc/68/59/94/823685994.db2.gz CLTHWGAGCCRTKS-MRXNPFEDSA-N 0 0 382.803 4.060 20 30 GIEDRN C/C=C/c1ccc(OCC(=O)Nc2cc(C#N)ccc2NCCC)c(OC)c1 ZINC000461713065 823686108 /nfs/dbraw/zinc/68/61/08/823686108.db2.gz ROYPPXJUXLQCLQ-GQCTYLIASA-N 0 0 379.460 4.439 20 30 GIEDRN CNC(=O)c1cccc(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000125571926 823686297 /nfs/dbraw/zinc/68/62/97/823686297.db2.gz XHDSSAKKUWCPQS-UHFFFAOYSA-N 0 0 399.450 4.281 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000412846583 823686854 /nfs/dbraw/zinc/68/68/54/823686854.db2.gz WVFOGJGWRHBWGO-JXFKEZNVSA-N 0 0 382.529 4.429 20 30 GIEDRN C[C@H](c1nnc(SCc2ccc(C#N)c(F)c2)n1-c1ccc(F)cc1)N(C)C ZINC000191454925 823687008 /nfs/dbraw/zinc/68/70/08/823687008.db2.gz CBAZZMIVCMGYBF-CYBMUJFWSA-N 0 0 399.470 4.332 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000191456877 823687352 /nfs/dbraw/zinc/68/73/52/823687352.db2.gz NCHQUODMYJKNDL-SFHVURJKSA-N 0 0 379.508 4.119 20 30 GIEDRN CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000461727835 823688417 /nfs/dbraw/zinc/68/84/17/823688417.db2.gz GXYSRANOVODRAL-INIZCTEOSA-N 0 0 378.472 4.044 20 30 GIEDRN COc1ccc(Br)cc1CN(C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000461730789 823688709 /nfs/dbraw/zinc/68/87/09/823688709.db2.gz VDURKACOWHPSRE-CYBMUJFWSA-N 0 0 387.277 4.091 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC000461733314 823689030 /nfs/dbraw/zinc/68/90/30/823689030.db2.gz OLDZNMRONFBGKJ-FQEVSTJZSA-N 0 0 383.879 4.297 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)NCCCOc2ccc(F)cc2)o1 ZINC000063680407 823689131 /nfs/dbraw/zinc/68/91/31/823689131.db2.gz OEXBFOWCPZMPSE-UHFFFAOYSA-N 0 0 394.402 4.068 20 30 GIEDRN C=CCC1(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)CCC1 ZINC000191478423 823689308 /nfs/dbraw/zinc/68/93/08/823689308.db2.gz VIZJZKQSSZLNCQ-AWEZNQCLSA-N 0 0 392.425 4.201 20 30 GIEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)CCOCC(F)(F)C(F)F ZINC000191482476 823689807 /nfs/dbraw/zinc/68/98/07/823689807.db2.gz VCMLTHOEHAZKJN-NSHDSACASA-N 0 0 378.391 4.184 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1nncn1-c1ccccc1 ZINC000191487099 823690130 /nfs/dbraw/zinc/69/01/30/823690130.db2.gz AIYRUNOKKYYTLV-UHFFFAOYSA-N 0 0 375.476 4.441 20 30 GIEDRN Cc1nc(-c2ccc(CCNC(=O)[C@@H](C)c3cccc(C#N)c3)cc2)cs1 ZINC000461744455 823690819 /nfs/dbraw/zinc/69/08/19/823690819.db2.gz AGWMCCREFNINEN-HNNXBMFYSA-N 0 0 375.497 4.453 20 30 GIEDRN COCCN(Cc1csc(COc2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000063753485 823693488 /nfs/dbraw/zinc/69/34/88/823693488.db2.gz LICBEKYPIITNQF-UHFFFAOYSA-N 0 0 393.512 4.242 20 30 GIEDRN COc1ccccc1-c1csc(C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC000191515317 823694178 /nfs/dbraw/zinc/69/41/78/823694178.db2.gz PUZZSBDPVXWCEW-UHFFFAOYSA-N 0 0 392.484 4.038 20 30 GIEDRN Cc1cnc(CCN(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1 ZINC000125661819 823694621 /nfs/dbraw/zinc/69/46/21/823694621.db2.gz IHIYHFXECYINGB-UHFFFAOYSA-N 0 0 378.501 4.045 20 30 GIEDRN Cc1ncsc1-c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)no1 ZINC000125661624 823694625 /nfs/dbraw/zinc/69/46/25/823694625.db2.gz PIKHWOFXMBIKDL-UHFFFAOYSA-N 0 0 397.407 4.388 20 30 GIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000461784318 823695053 /nfs/dbraw/zinc/69/50/53/823695053.db2.gz IVASPJGTWYBPGA-SUMWQHHRSA-N 0 0 399.903 4.238 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000063777206 823695244 /nfs/dbraw/zinc/69/52/44/823695244.db2.gz YPFLFVOKZLXSGN-UHFFFAOYSA-N 0 0 387.867 4.209 20 30 GIEDRN CC(C)C(=O)Nc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063777237 823695254 /nfs/dbraw/zinc/69/52/54/823695254.db2.gz BHJOHXKLMZGNSQ-UHFFFAOYSA-N 0 0 392.503 4.273 20 30 GIEDRN C=CCOc1ccc(CN[C@@H](C(=O)OCC)c2cccc(O)c2)cc1Cl ZINC000191526501 823695463 /nfs/dbraw/zinc/69/54/63/823695463.db2.gz LPMWBQHXRSVFCX-LJQANCHMSA-N 0 0 375.852 4.004 20 30 GIEDRN C=CCC(C)(C)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412975409 823695964 /nfs/dbraw/zinc/69/59/64/823695964.db2.gz UMBVEHSWOBABKM-UHFFFAOYSA-N 0 0 379.342 4.132 20 30 GIEDRN C=CCC1(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)CCC1 ZINC000412975370 823695970 /nfs/dbraw/zinc/69/59/70/823695970.db2.gz UGXXDGBGVRNNTL-UHFFFAOYSA-N 0 0 391.353 4.276 20 30 GIEDRN C=C[C@@](C)(CC)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000412979574 823696525 /nfs/dbraw/zinc/69/65/25/823696525.db2.gz ZMGNVBWXIHEABA-IBGZPJMESA-N 0 0 379.342 4.132 20 30 GIEDRN C[C@@H](C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(C#N)c1 ZINC000461797099 823696669 /nfs/dbraw/zinc/69/66/69/823696669.db2.gz PERINTHVKKTHSF-MRXNPFEDSA-N 0 0 385.471 4.285 20 30 GIEDRN C=CCn1c(SC[C@@H]2CCCNC2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000412983580 823697335 /nfs/dbraw/zinc/69/73/35/823697335.db2.gz NVBHTGLUQHLNAG-INIZCTEOSA-N 0 0 384.549 4.047 20 30 GIEDRN C=CCn1c(SC[C@H](O)CCC)nnc1-c1ccc(Br)cc1 ZINC000412987911 823698231 /nfs/dbraw/zinc/69/82/31/823698231.db2.gz ZWCRPBZVEPNSBB-CQSZACIVSA-N 0 0 382.327 4.147 20 30 GIEDRN C=CCn1c2nnc(SCC3CCC(F)(F)CC3)n2c2ccccc2c1=O ZINC000412986178 823697831 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N#Cc1ncc(C(F)(F)F)cc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000413025857 823700501 /nfs/dbraw/zinc/70/05/01/823700501.db2.gz HXHFBDLHYYXLKE-OAHLLOKOSA-N 0 0 375.350 4.085 20 30 GIEDRN COc1cc(/C=C/C(=O)c2ccc(OCC(F)(F)F)cc2)ccc1OCC#N ZINC000063845940 823701130 /nfs/dbraw/zinc/70/11/30/823701130.db2.gz JPXCIEHHITYHBK-KRXBUXKQSA-N 0 0 391.345 4.435 20 30 GIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2ccccn2)n1C[C@H]1CCCCO1 ZINC000461817637 823701399 /nfs/dbraw/zinc/70/13/99/823701399.db2.gz AQHZZRGFTIWNTR-HXUWFJFHSA-N 0 0 389.503 4.102 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000191570855 823702118 /nfs/dbraw/zinc/70/21/18/823702118.db2.gz VKEYJXPOUKZMGY-UHFFFAOYSA-N 0 0 375.490 4.357 20 30 GIEDRN COc1ccc(NC(=O)[C@H](C)Sc2ccc(C#N)cc2Cl)c([N+](=O)[O-])c1 ZINC000163335038 823702305 /nfs/dbraw/zinc/70/23/05/823702305.db2.gz ORHMMRAJQRFGGV-JTQLQIEISA-N 0 0 391.836 4.248 20 30 GIEDRN Cc1ccc([O-])c[n+]1C(C(=O)c1ccc(F)c(F)c1)C(=S)Nc1ccccc1 ZINC000063857238 823702578 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C=C1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C2CC2)CC1 ZINC000574333297 823704014 /nfs/dbraw/zinc/70/40/14/823704014.db2.gz PPZOEMRNEWRQEY-UHFFFAOYSA-N 0 0 389.297 4.208 20 30 GIEDRN N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCO[C@H](C4CC4)C3)cc2)c1 ZINC000163370916 823704577 /nfs/dbraw/zinc/70/45/77/823704577.db2.gz WGVCHHBVGNNMFF-NQIIRXRSSA-N 0 0 377.444 4.430 20 30 GIEDRN N#Cc1ncc(C(F)(F)F)cc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000413122374 823710746 /nfs/dbraw/zinc/71/07/46/823710746.db2.gz ZJMXSEPPJKBMNZ-MRXNPFEDSA-N 0 0 385.748 4.342 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)C2CCC(F)(F)CC2)c1C#N ZINC000125788701 823710777 /nfs/dbraw/zinc/71/07/77/823710777.db2.gz WBJKKFKNZPNOBL-UHFFFAOYSA-N 0 0 376.432 4.230 20 30 GIEDRN C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000413123402 823710809 /nfs/dbraw/zinc/71/08/09/823710809.db2.gz CBQMWBMXAZSPJM-AEFFLSMTSA-N 0 0 385.508 4.163 20 30 GIEDRN Cc1occc1-c1nnc(SCc2cc(C#N)ccc2Br)n1C ZINC000191620315 823715877 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O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccccc1OCC(F)(F)F ZINC000191632135 823719374 /nfs/dbraw/zinc/71/93/74/823719374.db2.gz PCZFFYSCLHOHIM-UHFFFAOYSA-N 0 0 395.246 4.171 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)Cn2ccc3ccccc32)c1C#N ZINC000125830982 823722329 /nfs/dbraw/zinc/72/23/29/823722329.db2.gz QARNWNVBMSJNKJ-UHFFFAOYSA-N 0 0 387.468 4.059 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000063961886 823722372 /nfs/dbraw/zinc/72/23/72/823722372.db2.gz FCSHRMLVTPTYJO-UHFFFAOYSA-N 0 0 385.402 4.235 20 30 GIEDRN CCc1cc(C#N)c(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)s1 ZINC000125836917 823724639 /nfs/dbraw/zinc/72/46/39/823724639.db2.gz BNGQVCCTALYILV-UHFFFAOYSA-N 0 0 381.379 4.412 20 30 GIEDRN Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)cc1 ZINC000125840296 823725176 /nfs/dbraw/zinc/72/51/76/823725176.db2.gz LURFADRVWGGLLX-LFYBBSHMSA-N 0 0 384.439 4.081 20 30 GIEDRN N#Cc1ncc(C(F)(F)F)cc1NCc1ccc(COC2CCOCC2)cc1 ZINC000413198475 823725804 /nfs/dbraw/zinc/72/58/04/823725804.db2.gz 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N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCOC2CCCC2)cc1 ZINC000171016467 824038359 /nfs/dbraw/zinc/03/83/59/824038359.db2.gz IJOWARXJLWMNTO-UHFFFAOYSA-N 0 0 395.478 4.368 20 30 GIEDRN CCOc1cc(Br)c(F)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000575960144 824038450 /nfs/dbraw/zinc/03/84/50/824038450.db2.gz ZYPWKUBRFIAIKO-SNVBAGLBSA-N 0 0 384.249 4.143 20 30 GIEDRN N#Cc1cc(NC(=O)C2(Cc3ccc(F)cc3)CCOCC2)nc2ccccc12 ZINC000575968276 824041386 /nfs/dbraw/zinc/04/13/86/824041386.db2.gz MFQMQIBLHNXHOZ-UHFFFAOYSA-N 0 0 389.430 4.224 20 30 GIEDRN Cc1ccc(N(CCC#N)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000171028012 824042178 /nfs/dbraw/zinc/04/21/78/824042178.db2.gz PJNKTDNLOKOQLG-UHFFFAOYSA-N 0 0 396.512 4.272 20 30 GIEDRN CCCC(=O)Nc1ccc(OC(=O)C=Cc2ccccc2C#N)c(C(C)=O)c1 ZINC000171042095 824045383 /nfs/dbraw/zinc/04/53/83/824045383.db2.gz PGLABEDJWJCFBG-FMIVXFBMSA-N 0 0 376.412 4.118 20 30 GIEDRN C=CCn1c(SCC(=O)NC2CCC(C)CC2)nnc1-c1ccccc1F ZINC000192623507 824048157 /nfs/dbraw/zinc/04/81/57/824048157.db2.gz WKGZXBVJZGOSNT-UHFFFAOYSA-N 0 0 388.512 4.057 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccccc1F ZINC000192623799 824048250 /nfs/dbraw/zinc/04/82/50/824048250.db2.gz AFWCIDQXNRNXIC-OAHLLOKOSA-N 0 0 388.512 4.009 20 30 GIEDRN N#Cc1ccc(N2CCC(C(=O)NCc3ccc(C4CC4)cc3F)CC2)c(F)c1 ZINC000576011617 824049892 /nfs/dbraw/zinc/04/98/92/824049892.db2.gz PCJQRKGZXPCILR-UHFFFAOYSA-N 0 0 395.453 4.247 20 30 GIEDRN CC(C)Cn1ccc2c1cccc2C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000576026231 824052224 /nfs/dbraw/zinc/05/22/24/824052224.db2.gz LAENSIXXKAMGCH-UHFFFAOYSA-N 0 0 389.499 4.458 20 30 GIEDRN C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC000576030972 824053814 /nfs/dbraw/zinc/05/38/14/824053814.db2.gz WOZRVDRUKMBYSL-MGPUTAFESA-N 0 0 390.462 4.403 20 30 GIEDRN N#Cc1cc(Oc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)ccn1 ZINC000576038202 824055801 /nfs/dbraw/zinc/05/58/01/824055801.db2.gz GVIPYVVKQGZJHM-UHFFFAOYSA-N 0 0 382.379 4.252 20 30 GIEDRN C=CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1ccncc1 ZINC000010491469 212096711 /nfs/dbraw/zinc/09/67/11/212096711.db2.gz FLZIJWSUPWMNIY-UHFFFAOYSA-N 0 0 390.472 4.177 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1-c1ccoc1C ZINC000011428821 212096008 /nfs/dbraw/zinc/09/60/08/212096008.db2.gz GKEKKJLNODXUQK-AWEZNQCLSA-N 0 0 393.472 4.024 20 30 GIEDRN Cc1cc(Br)ccc1NC(=O)COc1ccc(C#N)cc1Cl ZINC000007857168 221015070 /nfs/dbraw/zinc/01/50/70/221015070.db2.gz GCZOTXHTMMTPCW-UHFFFAOYSA-N 0 0 379.641 4.300 20 30 GIEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc(Cl)nc1)[C@@H]2CC ZINC001164697243 719820586 /nfs/dbraw/zinc/82/05/86/719820586.db2.gz ASXSTVUPTSSMIP-QAPCUYQASA-N 0 0 383.870 4.206 20 30 GIEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)cnc1Cl ZINC001164897921 721497857 /nfs/dbraw/zinc/49/78/57/721497857.db2.gz FMLZTEHXHCRQTC-JQFCIGGWSA-N 0 0 381.854 4.183 20 30 GIEDRN C=CCN1CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)CC1 ZINC001165034922 721874059 /nfs/dbraw/zinc/87/40/59/721874059.db2.gz QGNIYRCXLUJBSQ-UHFFFAOYSA-N 0 0 388.849 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/nfs/dbraw/zinc/04/86/02/823048602.db2.gz WZFBMTGYORYWGO-UHFFFAOYSA-N 0 0 399.516 4.209 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000055820088 823048697 /nfs/dbraw/zinc/04/86/97/823048697.db2.gz RNKZKLHEVZJFQW-UHFFFAOYSA-N 0 0 386.451 4.434 20 30 GIEDRN C=CCC[C@@H](CO)NC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000458518879 823050203 /nfs/dbraw/zinc/05/02/03/823050203.db2.gz JLCIKEAPMNOHKM-LRDDRELGSA-N 0 0 393.940 4.459 20 30 GIEDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000175835825 823051404 /nfs/dbraw/zinc/05/14/04/823051404.db2.gz IWRACSAMUWCMLF-KRWDZBQOSA-N 0 0 399.498 4.488 20 30 GIEDRN CC1CCC(N(C)C(=O)CNc2ccccc2Oc2ncccc2C#N)CC1 ZINC000055844304 823052166 /nfs/dbraw/zinc/05/21/66/823052166.db2.gz KRWOODLSBRLCDW-UHFFFAOYSA-N 0 0 378.476 4.195 20 30 GIEDRN N#Cc1cccnc1Oc1ccccc1NCc1nc(-c2ccsc2)no1 ZINC000055844440 823052408 /nfs/dbraw/zinc/05/24/08/823052408.db2.gz NDLZSNCQJNAPTK-UHFFFAOYSA-N 0 0 375.413 4.469 20 30 GIEDRN CCc1ccc([C@H](C#N)NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC000570557491 823054398 /nfs/dbraw/zinc/05/43/98/823054398.db2.gz PAFZBEIXZQEIFU-FQEVSTJZSA-N 0 0 382.891 4.332 20 30 GIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000055860534 823055057 /nfs/dbraw/zinc/05/50/57/823055057.db2.gz YVSULMMKTXQJFY-LIRRHRJNSA-N 0 0 399.288 4.452 20 30 GIEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000055860957 823055221 /nfs/dbraw/zinc/05/52/21/823055221.db2.gz MGOIFAKCBBBUEF-KSSFIOAISA-N 0 0 399.288 4.452 20 30 GIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000055864915 823056049 /nfs/dbraw/zinc/05/60/49/823056049.db2.gz KQUCDIHZEQUYBH-LJQANCHMSA-N 0 0 382.435 4.229 20 30 GIEDRN COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2ccsc2)CC1 ZINC000187399232 823055989 /nfs/dbraw/zinc/05/59/89/823055989.db2.gz XYYFGIXUBSYBMI-UHFFFAOYSA-N 0 0 385.489 4.056 20 30 GIEDRN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000055864916 823056074 /nfs/dbraw/zinc/05/60/74/823056074.db2.gz KQUCDIHZEQUYBH-IBGZPJMESA-N 0 0 382.435 4.229 20 30 GIEDRN C=CCCOCCNC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000458577339 823058724 /nfs/dbraw/zinc/05/87/24/823058724.db2.gz DBKJWRLDVUIKSI-KRWDZBQOSA-N 0 0 376.888 4.046 20 30 GIEDRN CC(=O)N[C@@H](C)CCc1ccc(C(=O)CSc2cccc(F)c2C#N)cc1 ZINC000570583412 823057104 /nfs/dbraw/zinc/05/71/04/823057104.db2.gz GWTJZQIESWVATB-AWEZNQCLSA-N 0 0 384.476 4.130 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000175861494 823057552 /nfs/dbraw/zinc/05/75/52/823057552.db2.gz MXFRYNHOQJTMOJ-LBPRGKRZSA-N 0 0 380.945 4.081 20 30 GIEDRN COc1ccc([C@H](NC(=O)NCC(C)(C)CC#N)c2ccccc2OC)cc1 ZINC000458572810 823057963 /nfs/dbraw/zinc/05/79/63/823057963.db2.gz NMFVAFGELCOQFW-FQEVSTJZSA-N 0 0 381.476 4.032 20 30 GIEDRN N#CCC[C@@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1 ZINC000120770054 823060636 /nfs/dbraw/zinc/06/06/36/823060636.db2.gz CMRCZXUQKQJLTG-QGZVFWFLSA-N 0 0 395.463 4.435 20 30 GIEDRN N#CCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000120769919 823060658 /nfs/dbraw/zinc/06/06/58/823060658.db2.gz YKQYJFMYUCXHIP-LSDHHAIUSA-N 0 0 394.324 4.369 20 30 GIEDRN CCO[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000458613226 823063868 /nfs/dbraw/zinc/06/38/68/823063868.db2.gz FNUHMPMAKILEPQ-VGSWGCGISA-N 0 0 377.488 4.182 20 30 GIEDRN N#Cc1ccc(SCC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000570633558 823064720 /nfs/dbraw/zinc/06/47/20/823064720.db2.gz BNDNHNWVVGCAMS-SJORKVTESA-N 0 0 390.512 4.369 20 30 GIEDRN CC(C)(CC#N)CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000458619279 823064855 /nfs/dbraw/zinc/06/48/55/823064855.db2.gz NUEGXQDBMQLNHH-UHFFFAOYSA-N 0 0 392.219 4.207 20 30 GIEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000120806096 823067795 /nfs/dbraw/zinc/06/77/95/823067795.db2.gz OARQJSXJCHWXHT-MRXNPFEDSA-N 0 0 379.485 4.016 20 30 GIEDRN COc1ccc(C(=O)CCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1F ZINC000175898660 823066901 /nfs/dbraw/zinc/06/69/01/823066901.db2.gz WSJPSZMLQRSVIE-UHFFFAOYSA-N 0 0 382.435 4.106 20 30 GIEDRN N#Cc1ccc(NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)c(Cl)c1 ZINC000570660588 823068217 /nfs/dbraw/zinc/06/82/17/823068217.db2.gz VTJJHBFTRXWQSN-MRXNPFEDSA-N 0 0 375.881 4.299 20 30 GIEDRN C=CC1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000120808773 823068430 /nfs/dbraw/zinc/06/84/30/823068430.db2.gz GWQFMCFBRWCIAV-UHFFFAOYSA-N 0 0 395.246 4.126 20 30 GIEDRN COc1ccc([C@H](N[C@H](C)C(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000055941543 823068912 /nfs/dbraw/zinc/06/89/12/823068912.db2.gz XKRURSCWISXXNH-UZUQRXQVSA-N 0 0 385.467 4.273 20 30 GIEDRN CCOC(=O)C1CCC(CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000570684580 823072031 /nfs/dbraw/zinc/07/20/31/823072031.db2.gz GMDGTTDDVRSATM-UHFFFAOYSA-N 0 0 384.520 4.302 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187468541 823069152 /nfs/dbraw/zinc/06/91/52/823069152.db2.gz QPVQLBDUIWTYFP-UHFFFAOYSA-N 0 0 387.405 4.450 20 30 GIEDRN COc1ccc(CN(C(=O)CCc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000187473539 823070363 /nfs/dbraw/zinc/07/03/63/823070363.db2.gz NUALIBCRQMCONR-UHFFFAOYSA-N 0 0 380.488 4.335 20 30 GIEDRN N#Cc1cc(NC(=O)Nc2cccc(C(F)F)c2)ccc1N1CCC(O)CC1 ZINC000175911286 823070561 /nfs/dbraw/zinc/07/05/61/823070561.db2.gz XFKXAVZYLANWKS-UHFFFAOYSA-N 0 0 386.402 4.101 20 30 GIEDRN COC[C@]1(C)CCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000458659295 823070905 /nfs/dbraw/zinc/07/09/05/823070905.db2.gz SHGLYRVKMYLVOI-UZUQRXQVSA-N 0 0 377.488 4.354 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000055978910 823074065 /nfs/dbraw/zinc/07/40/65/823074065.db2.gz GDOLNQSBVAXAAA-UHFFFAOYSA-N 0 0 394.899 4.265 20 30 GIEDRN CCOc1ccccc1OCc1nnc(N2CCC(CCC#N)CC2)n1C(C)C ZINC000570718793 823075276 /nfs/dbraw/zinc/07/52/76/823075276.db2.gz DZRFQNYGRXBONY-UHFFFAOYSA-N 0 0 397.523 4.357 20 30 GIEDRN COCCOCCSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000175940797 823077456 /nfs/dbraw/zinc/07/74/56/823077456.db2.gz JHMYDSWQSRVOIB-UHFFFAOYSA-N 0 0 386.395 4.296 20 30 GIEDRN N#CCN1CCC(OC(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC000120880148 823081517 /nfs/dbraw/zinc/08/15/17/823081517.db2.gz MLECVRFDWUTORO-HXUWFJFHSA-N 0 0 384.476 4.190 20 30 GIEDRN C[C@H](N(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1(C)CC1 ZINC000175950127 823080395 /nfs/dbraw/zinc/08/03/95/823080395.db2.gz CCQNUKKVHCAIBV-LBPRGKRZSA-N 0 0 387.534 4.354 20 30 GIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000120872735 823080478 /nfs/dbraw/zinc/08/04/78/823080478.db2.gz RBBCAVUAMWRMQN-UHFFFAOYSA-N 0 0 394.475 4.409 20 30 GIEDRN CCc1cccc2c1N(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)CCC2 ZINC000570754403 823081299 /nfs/dbraw/zinc/08/12/99/823081299.db2.gz QCHOCGHVDQQRKL-UHFFFAOYSA-N 0 0 391.490 4.456 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000056067703 823082009 /nfs/dbraw/zinc/08/20/09/823082009.db2.gz RITLSZHWGVUABO-UHFFFAOYSA-N 0 0 382.407 4.178 20 30 GIEDRN COC(=O)c1ccc(CN(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458797845 823087153 /nfs/dbraw/zinc/08/71/53/823087153.db2.gz HBJJVVJKIXUEQG-FQEVSTJZSA-N 0 0 379.460 4.050 20 30 GIEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000120888262 823082297 /nfs/dbraw/zinc/08/22/97/823082297.db2.gz PMQCLLFYNVDSJO-UHFFFAOYSA-N 0 0 392.346 4.354 20 30 GIEDRN CC(=O)Nc1ccc(-c2noc(-c3cc(C#N)oc3C)n2)cc1C(F)(F)F ZINC000570761009 823082458 /nfs/dbraw/zinc/08/24/58/823082458.db2.gz STZMHGYUSBIVPG-UHFFFAOYSA-N 0 0 376.294 4.154 20 30 GIEDRN CC(C)(CCC#N)CNC(=O)NC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000458768197 823083168 /nfs/dbraw/zinc/08/31/68/823083168.db2.gz OVNDZZZXZQXYRE-UHFFFAOYSA-N 0 0 395.906 4.200 20 30 GIEDRN N#CCCC[C@@H](NC(=O)NC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000458798377 823087071 /nfs/dbraw/zinc/08/70/71/823087071.db2.gz HYXYOBANBAEUPN-GOSISDBHSA-N 0 0 377.444 4.139 20 30 GIEDRN N#CCN1CCC(OC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000120914440 823086110 /nfs/dbraw/zinc/08/61/10/823086110.db2.gz ZSJOLOWNXTXRSA-UHFFFAOYSA-N 0 0 390.439 4.157 20 30 GIEDRN COc1cccc([C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)CCO2)c1 ZINC000458795213 823086558 /nfs/dbraw/zinc/08/65/58/823086558.db2.gz CBXUXLSYPWLGKO-YADHBBJMSA-N 0 0 393.487 4.213 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000458799562 823087413 /nfs/dbraw/zinc/08/74/13/823087413.db2.gz JQGWVJVEAPNOLK-YADHBBJMSA-N 0 0 388.471 4.076 20 30 GIEDRN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@](C)(C#N)C(C)C ZINC000120925902 823087679 /nfs/dbraw/zinc/08/76/79/823087679.db2.gz NHGBIVCTDICWMR-LJQANCHMSA-N 0 0 393.318 4.393 20 30 GIEDRN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458799724 823087697 /nfs/dbraw/zinc/08/76/97/823087697.db2.gz JZFUKXIXRSRLGE-NZQKXSOJSA-N 0 0 390.531 4.337 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCc2c(ncn2-c2ccccc2)C1)c1ccccc1 ZINC000458802158 823088191 /nfs/dbraw/zinc/08/81/91/823088191.db2.gz PCDNGTSPDYWUGS-NRFANRHFSA-N 0 0 399.498 4.375 20 30 GIEDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803641 823088369 /nfs/dbraw/zinc/08/83/69/823088369.db2.gz RKKDHRZHDNFJQE-FQEVSTJZSA-N 0 0 392.503 4.319 20 30 GIEDRN C[C@@H](Sc1nnc(-c2ccc(Cl)s2)o1)C(=O)Nc1ccccc1C#N ZINC000120930670 823088518 /nfs/dbraw/zinc/08/85/18/823088518.db2.gz KLFNEUUEPDADOB-SECBINFHSA-N 0 0 390.877 4.442 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 ZINC000175982839 823088532 /nfs/dbraw/zinc/08/85/32/823088532.db2.gz XAFBQAOFGIQPTR-QGZVFWFLSA-N 0 0 387.867 4.444 20 30 GIEDRN O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cccc(C(F)(F)F)c1F ZINC000175985964 823088912 /nfs/dbraw/zinc/08/89/12/823088912.db2.gz KYSALDMMSJFFRW-UHFFFAOYSA-N 0 0 396.262 4.111 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000458806290 823089245 /nfs/dbraw/zinc/08/92/45/823089245.db2.gz VYGYTCCFIFKXQK-NHCUHLMSSA-N 0 0 399.441 4.483 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000458806295 823089267 /nfs/dbraw/zinc/08/92/67/823089267.db2.gz VYGYTCCFIFKXQK-RTWAWAEBSA-N 0 0 399.441 4.483 20 30 GIEDRN N#CCCC[C@H](NC(=O)N(CCc1ccccc1)[C@H]1CCOC1)c1ccccc1 ZINC000458806177 823089303 /nfs/dbraw/zinc/08/93/03/823089303.db2.gz VSVUGMJYPDIUHQ-GOTSBHOMSA-N 0 0 391.515 4.465 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1ccccc1 ZINC000458807195 823089448 /nfs/dbraw/zinc/08/94/48/823089448.db2.gz XGHFWYNUOJTWGN-UPVQGACJSA-N 0 0 389.499 4.305 20 30 GIEDRN N#CCSc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC000175988401 823089480 /nfs/dbraw/zinc/08/94/80/823089480.db2.gz JVIMOGNKLMKXOY-UHFFFAOYSA-N 0 0 382.485 4.360 20 30 GIEDRN Cc1ccccc1-n1ncc(C(=O)N2CCC(CCC#N)CC2)c1C(F)(F)F ZINC000570804101 823089544 /nfs/dbraw/zinc/08/95/44/823089544.db2.gz KVGMEWFCVKKIKJ-UHFFFAOYSA-N 0 0 390.409 4.356 20 30 GIEDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458810562 823090212 /nfs/dbraw/zinc/09/02/12/823090212.db2.gz AWBOOQDYZVWEDE-PGRDOPGGSA-N 0 0 394.494 4.481 20 30 GIEDRN C[C@@H]1C[C@H]1[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000570839013 823093929 /nfs/dbraw/zinc/09/39/29/823093929.db2.gz KCADGOGTVGTURW-XMCHAPAWSA-N 0 0 388.920 4.223 20 30 GIEDRN CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC000458832477 823094237 /nfs/dbraw/zinc/09/42/37/823094237.db2.gz IAJLSYIXHQVMOI-SFHVURJKSA-N 0 0 396.457 4.090 20 30 GIEDRN Cc1ccccc1-c1nc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)no1 ZINC000458834390 823094755 /nfs/dbraw/zinc/09/47/55/823094755.db2.gz JIIDASONRCIJBY-IBGZPJMESA-N 0 0 389.459 4.279 20 30 GIEDRN Cc1csc(NC2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)n1 ZINC000458836536 823095298 /nfs/dbraw/zinc/09/52/98/823095298.db2.gz KSJDJPRZTDMSBG-IBGZPJMESA-N 0 0 397.548 4.473 20 30 GIEDRN N#CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000120974039 823095561 /nfs/dbraw/zinc/09/55/61/823095561.db2.gz HWXXAKJRBPWVTG-UHFFFAOYSA-N 0 0 376.334 4.037 20 30 GIEDRN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458839341 823095732 /nfs/dbraw/zinc/09/57/32/823095732.db2.gz MKYCBMNOMVAYKN-VTHDOGFWSA-N 0 0 391.519 4.275 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000176016620 823096647 /nfs/dbraw/zinc/09/66/47/823096647.db2.gz DKAHOLPLWAZZFN-UHFFFAOYSA-N 0 0 387.443 4.391 20 30 GIEDRN N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)[nH]1 ZINC000120988626 823098103 /nfs/dbraw/zinc/09/81/03/823098103.db2.gz KLELRGRYWWORNT-UHFFFAOYSA-N 0 0 383.205 4.088 20 30 GIEDRN CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc(SCC#N)c2)cs1 ZINC000176017769 823096812 /nfs/dbraw/zinc/09/68/12/823096812.db2.gz MJIGARPVDGPPNW-CYBMUJFWSA-N 0 0 375.519 4.128 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCN(c2cccc(F)c2F)CC1)c1ccccc1 ZINC000458850080 823097410 /nfs/dbraw/zinc/09/74/10/823097410.db2.gz UEXUPIXHUJRXRX-LJQANCHMSA-N 0 0 398.457 4.232 20 30 GIEDRN N#CCCC[C@H](NC(=O)N1CCC(CO)(c2ccccc2)CC1)c1ccccc1 ZINC000458848837 823097435 /nfs/dbraw/zinc/09/74/35/823097435.db2.gz SNBYLLUHKMGJOP-QFIPXVFZSA-N 0 0 391.515 4.157 20 30 GIEDRN N#CCCC[C@@H](NC(=O)N1CCC(CO)(c2ccccc2)CC1)c1ccccc1 ZINC000458848836 823097444 /nfs/dbraw/zinc/09/74/44/823097444.db2.gz SNBYLLUHKMGJOP-JOCHJYFZSA-N 0 0 391.515 4.157 20 30 GIEDRN CC(C)Cn1ncc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)c1C(F)F ZINC000120982677 823097419 /nfs/dbraw/zinc/09/74/19/823097419.db2.gz ZFNQUFICECLWMA-CQSZACIVSA-N 0 0 379.382 4.155 20 30 GIEDRN C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC000570888397 823102762 /nfs/dbraw/zinc/10/27/62/823102762.db2.gz TWOIRANGYWFXLL-RDJZCZTQSA-N 0 0 387.509 4.150 20 30 GIEDRN N#CCCN(C(=O)CCc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000570875413 823100266 /nfs/dbraw/zinc/10/02/66/823100266.db2.gz SPNMNIVZOIEGJQ-UHFFFAOYSA-N 0 0 375.241 4.468 20 30 GIEDRN Cc1cnc(COCC(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)o1 ZINC000570881691 823101216 /nfs/dbraw/zinc/10/12/16/823101216.db2.gz RKDFLPCMIJOFGM-UHFFFAOYSA-N 0 0 395.846 4.258 20 30 GIEDRN Cc1c(NC(=O)[C@H](C)Nc2cccc(OCCCC#N)c2)cccc1[N+](=O)[O-] ZINC000056199520 823101461 /nfs/dbraw/zinc/10/14/61/823101461.db2.gz PJGHTJLSWSXWGO-HNNXBMFYSA-N 0 0 382.420 4.025 20 30 GIEDRN CCN(CC#N)C(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000121019916 823103855 /nfs/dbraw/zinc/10/38/55/823103855.db2.gz KTQZJLDSHSXNAY-UHFFFAOYSA-N 0 0 381.863 4.359 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(F)cc(Br)c1 ZINC000056213166 823104730 /nfs/dbraw/zinc/10/47/30/823104730.db2.gz NDZMYLSGVUTUCI-UHFFFAOYSA-N 0 0 377.213 4.499 20 30 GIEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000056213300 823104988 /nfs/dbraw/zinc/10/49/88/823104988.db2.gz RWEAZNXFXYKEBF-KBXCAEBGSA-N 0 0 377.444 4.192 20 30 GIEDRN CSc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1NC(C)=O ZINC000056213831 823105349 /nfs/dbraw/zinc/10/53/49/823105349.db2.gz LTRREUVQMGSYFL-UHFFFAOYSA-N 0 0 383.473 4.278 20 30 GIEDRN CCCn1ncc(NC(=O)Nc2ccc(C#N)c(Br)c2)c1C1CC1 ZINC000570902490 823105401 /nfs/dbraw/zinc/10/54/01/823105401.db2.gz WICDXGUUPQXXNM-UHFFFAOYSA-N 0 0 388.269 4.449 20 30 GIEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCC(C)(C)CO ZINC000176050416 823107030 /nfs/dbraw/zinc/10/70/30/823107030.db2.gz NTVXCWHZQCWSJW-UHFFFAOYSA-N 0 0 395.503 4.366 20 30 GIEDRN C=CCN(Cc1ccccc1F)C(=O)NCc1nc(C)c(Br)s1 ZINC000458935873 823108892 /nfs/dbraw/zinc/10/88/92/823108892.db2.gz WJJKKKOYPYHYLE-UHFFFAOYSA-N 0 0 398.301 4.251 20 30 GIEDRN Cc1ccc(-c2noc([C@H](C)SCC(=O)Nc3cccc(C#N)c3)n2)cc1F ZINC000056247078 823111133 /nfs/dbraw/zinc/11/11/33/823111133.db2.gz FQUYQYUTOQKWKQ-ZDUSSCGKSA-N 0 0 396.447 4.489 20 30 GIEDRN CCc1c(C(=O)Nc2cccc(OCCCC#N)c2)cnn1Cc1ccccc1 ZINC000121061318 823111203 /nfs/dbraw/zinc/11/12/03/823111203.db2.gz VUCNCEWHHCDXRJ-UHFFFAOYSA-N 0 0 388.471 4.429 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000056248456 823111715 /nfs/dbraw/zinc/11/17/15/823111715.db2.gz GJQIZEHOVCYYRH-IBGZPJMESA-N 0 0 383.407 4.415 20 30 GIEDRN Cc1cnc([C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C2CC2)s1 ZINC000176070675 823112382 /nfs/dbraw/zinc/11/23/82/823112382.db2.gz RRKKKIJYWDAPOM-AWEZNQCLSA-N 0 0 378.404 4.197 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000187690035 823113513 /nfs/dbraw/zinc/11/35/13/823113513.db2.gz LWLVSUJTEGDJFK-HZMBPMFUSA-N 0 0 387.295 4.058 20 30 GIEDRN C=CC(C)(C)CNC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000458987848 823113536 /nfs/dbraw/zinc/11/35/36/823113536.db2.gz MYBURXXTTUZDBW-OAHLLOKOSA-N 0 0 388.899 4.491 20 30 GIEDRN CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459001379 823115010 /nfs/dbraw/zinc/11/50/10/823115010.db2.gz BTQIEZDBIWABAR-YOEHRIQHSA-N 0 0 378.314 4.451 20 30 GIEDRN N#Cc1ccc(CSCc2nnnn2-c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000056264116 823116055 /nfs/dbraw/zinc/11/60/55/823116055.db2.gz MSRDJHWHSIFGHN-UHFFFAOYSA-N 0 0 393.369 4.125 20 30 GIEDRN CN(Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000176088424 823116664 /nfs/dbraw/zinc/11/66/64/823116664.db2.gz WRRVBMSUTIGZQZ-UHFFFAOYSA-N 0 0 392.434 4.244 20 30 GIEDRN COc1cccc(C(C)=CC(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000176095419 823118741 /nfs/dbraw/zinc/11/87/41/823118741.db2.gz LQILPKWSXVPIGH-RCLKMUNOSA-N 0 0 386.810 4.239 20 30 GIEDRN Cc1csc(NC(=O)c2cc(C)ccc2I)c1C#N ZINC000571033856 823122940 /nfs/dbraw/zinc/12/29/40/823122940.db2.gz BLVNWAFBESOIQR-UHFFFAOYSA-N 0 0 382.226 4.094 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000056300417 823123188 /nfs/dbraw/zinc/12/31/88/823123188.db2.gz BLIFBUXVUBWRAG-INIZCTEOSA-N 0 0 382.435 4.046 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 ZINC000056300668 823123197 /nfs/dbraw/zinc/12/31/97/823123197.db2.gz LHDUGEYGTODKHZ-UHFFFAOYSA-N 0 0 394.500 4.010 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2cccc(CC)c2)cc1 ZINC000056300267 823123258 /nfs/dbraw/zinc/12/32/58/823123258.db2.gz YMDHDPSOIFEZAQ-UHFFFAOYSA-N 0 0 378.472 4.081 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)cc1 ZINC000056301151 823123773 /nfs/dbraw/zinc/12/37/73/823123773.db2.gz KZBIJKQGZAFJKJ-UHFFFAOYSA-N 0 0 393.487 4.155 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000187758670 823126889 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Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)Cc2ccc(C#N)cc2)s1 ZINC000025115287 819931672 /nfs/dbraw/zinc/93/16/72/819931672.db2.gz ISRBUGAZNIYZRI-UHFFFAOYSA-N 0 0 375.497 4.500 20 30 GIEDRN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@@H](C)O1 ZINC000025119771 819932113 /nfs/dbraw/zinc/93/21/13/819932113.db2.gz HQQCTXNVGXTSMB-QZTJIDSGSA-N 0 0 391.515 4.349 20 30 GIEDRN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000025118279 819932425 /nfs/dbraw/zinc/93/24/25/819932425.db2.gz WSIQSECAYRESPR-UHFFFAOYSA-N 0 0 395.466 4.262 20 30 GIEDRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCC#Cc1ccccc1 ZINC000025148878 819936456 /nfs/dbraw/zinc/93/64/56/819936456.db2.gz WSYCGYCXZPOJHT-UHFFFAOYSA-N 0 0 384.439 4.054 20 30 GIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC000460576156 823440699 /nfs/dbraw/zinc/44/06/99/823440699.db2.gz PDZRTVNJMZYMHN-INIZCTEOSA-N 0 0 393.491 4.180 20 30 GIEDRN C=C[C@@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000122961002 823440205 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379.460 4.428 20 30 GIEDRN CC(C)C(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)CC1 ZINC000410994753 823530722 /nfs/dbraw/zinc/53/07/22/823530722.db2.gz BOEHJWGHDFNHEY-KGLIPLIRSA-N 0 0 387.549 4.139 20 30 GIEDRN O=C1c2cc(Br)cc([N+](=O)[O-])c2OC/C1=C\c1cccnc1Cl ZINC000123680037 823531228 /nfs/dbraw/zinc/53/12/28/823531228.db2.gz ZSWFKHGRHAZXFP-RUDMXATFSA-N 0 0 395.596 4.064 20 30 GIEDRN Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000411004556 823531805 /nfs/dbraw/zinc/53/18/05/823531805.db2.gz CWRDDPWLMIRINH-UHFFFAOYSA-N 0 0 388.443 4.492 20 30 GIEDRN N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000123728175 823535512 /nfs/dbraw/zinc/53/55/12/823535512.db2.gz PMCQBFVDWUDUNL-UHFFFAOYSA-N 0 0 393.198 4.267 20 30 GIEDRN N#Cc1csc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000123693467 823532336 /nfs/dbraw/zinc/53/23/36/823532336.db2.gz FPWVUSMLBVMVND-UHFFFAOYSA-N 0 0 380.542 4.061 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)Cn3ccc(C(F)(F)F)n3)c(C#N)c2[C@@H](C)C1 ZINC000411007909 823532361 /nfs/dbraw/zinc/53/23/61/823532361.db2.gz HHPDJQGPPKJIRF-ZJUUUORDSA-N 0 0 382.411 4.160 20 30 GIEDRN COCc1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)s1 ZINC000411008441 823532535 /nfs/dbraw/zinc/53/25/35/823532535.db2.gz SOVYAGZKHRVJSU-LLVKDONJSA-N 0 0 375.519 4.236 20 30 GIEDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000411008064 823532546 /nfs/dbraw/zinc/53/25/46/823532546.db2.gz RIRXALHHNFPCBW-GOSISDBHSA-N 0 0 395.528 4.392 20 30 GIEDRN COc1ccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)cc1[N+](=O)[O-] ZINC000411008253 823532562 /nfs/dbraw/zinc/53/25/62/823532562.db2.gz HXWOUTNEYQGFSE-QWRGUYRKSA-N 0 0 385.445 4.475 20 30 GIEDRN CCC(CC)(CO)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000177830325 823532687 /nfs/dbraw/zinc/53/26/87/823532687.db2.gz PXPKSGFFEXOEGB-UHFFFAOYSA-N 0 0 381.476 4.118 20 30 GIEDRN Cc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)c2cnn(C)c2n1 ZINC000411012602 823533251 /nfs/dbraw/zinc/53/32/51/823533251.db2.gz NLZSSFIDBHCFPS-MNOVXSKESA-N 0 0 379.489 4.148 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)c3cccc(C(=O)N(C)C)c3)c(C#N)c2[C@@H](C)C1 ZINC000411014952 823533653 /nfs/dbraw/zinc/53/36/53/823533653.db2.gz PWEUZCKCBPSCPR-STQMWFEESA-N 0 0 381.501 4.260 20 30 GIEDRN N#C[C@@H](C(=O)c1ccc(Cl)s1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000060488421 823533711 /nfs/dbraw/zinc/53/37/11/823533711.db2.gz MEYIXVNBOGMNPK-VIFPVBQESA-N 0 0 389.889 4.068 20 30 GIEDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000190071743 823534030 /nfs/dbraw/zinc/53/40/30/823534030.db2.gz IABFKJLTGYHYIG-UHFFFAOYSA-N 0 0 398.633 4.104 20 30 GIEDRN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000411017566 823534106 /nfs/dbraw/zinc/53/41/06/823534106.db2.gz PVXNERWZICRCPP-IFXJQAMLSA-N 0 0 383.879 4.189 20 30 GIEDRN CC#CCCCC(=O)Nc1cccc(Cl)c1-c1nnc2nc(C)cc(C)n21 ZINC000411016608 823534170 /nfs/dbraw/zinc/53/41/70/823534170.db2.gz IFKADUIOENBLJR-UHFFFAOYSA-N 0 0 381.867 4.194 20 30 GIEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000041238123 821179487 /nfs/dbraw/zinc/17/94/87/821179487.db2.gz GWMLSDGOVUWRRV-MRXNPFEDSA-N 0 0 376.243 4.071 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)c3ccccc3SCC(N)=O)c(C#N)c2[C@@H](C)C1 ZINC000411020016 823534444 /nfs/dbraw/zinc/53/44/44/823534444.db2.gz VONLMSDMOHMELL-RYUDHWBXSA-N 0 0 399.541 4.135 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)CCNC(=O)c3cccs3)c(C#N)c2[C@@H](C)C1 ZINC000411019519 823534481 /nfs/dbraw/zinc/53/44/81/823534481.db2.gz VBZXWMYARXNGCB-RYUDHWBXSA-N 0 0 387.530 4.126 20 30 GIEDRN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2CC)nnc1-c1ccccn1 ZINC000177848992 823535942 /nfs/dbraw/zinc/53/59/42/823535942.db2.gz HSWJKUZGPKLOSU-OAHLLOKOSA-N 0 0 393.516 4.208 20 30 GIEDRN COc1cccc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)c1[N+](=O)[O-] ZINC000411022387 823535029 /nfs/dbraw/zinc/53/50/29/823535029.db2.gz XOUALIPVPHOJTO-QWRGUYRKSA-N 0 0 385.445 4.475 20 30 GIEDRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-] ZINC000060500191 823535085 /nfs/dbraw/zinc/53/50/85/823535085.db2.gz PMQDRSJHJRSMNJ-UHFFFAOYSA-N 0 0 385.445 4.448 20 30 GIEDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496046 821199242 /nfs/dbraw/zinc/19/92/42/821199242.db2.gz ZCCIDXKUNLZGGT-OAHLLOKOSA-N 0 0 376.416 4.400 20 30 GIEDRN N#C[C@H](C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2[nH]1 ZINC000041496401 821199338 /nfs/dbraw/zinc/19/93/38/821199338.db2.gz ISEIIVSCHDFHPV-OAHLLOKOSA-N 0 0 386.436 4.367 20 30 GIEDRN COc1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC ZINC000041535798 821206073 /nfs/dbraw/zinc/20/60/73/821206073.db2.gz QAMAVIRQXWRCFJ-HNNXBMFYSA-N 0 0 394.452 4.326 20 30 GIEDRN N#C[C@H](C(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1 ZINC000041533937 821206223 /nfs/dbraw/zinc/20/62/23/821206223.db2.gz XUVMEHLHIDUVDI-GOSISDBHSA-N 0 0 387.464 4.427 20 30 GIEDRN Cc1ccccc1-n1ccnc1SCC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000041542389 821207275 /nfs/dbraw/zinc/20/72/75/821207275.db2.gz MQUFNOAJGGZBLG-OAHLLOKOSA-N 0 0 388.452 4.291 20 30 GIEDRN N#C[C@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(C(F)(F)F)cn1 ZINC000041555862 821209009 /nfs/dbraw/zinc/20/90/09/821209009.db2.gz WVOLWKPLYITNBR-LBPRGKRZSA-N 0 0 391.374 4.025 20 30 GIEDRN COc1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)ccc1OC(F)F ZINC000041556541 821209291 /nfs/dbraw/zinc/20/92/91/821209291.db2.gz JZRFJJAPJQLVGT-NSHDSACASA-N 0 0 386.276 4.200 20 30 GIEDRN N#C[C@H](C(=O)c1ccc(Cn2cccn2)cc1)c1nc2ccccc2n1C(F)F ZINC000041557323 821209844 /nfs/dbraw/zinc/20/98/44/821209844.db2.gz LSRZGQVVMYMJJH-MRXNPFEDSA-N 0 0 391.381 4.166 20 30 GIEDRN COc1ccc(OCCCC(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000041558952 821210406 /nfs/dbraw/zinc/21/04/06/821210406.db2.gz NPRFZSSSBKPLHQ-INIZCTEOSA-N 0 0 399.397 4.475 20 30 GIEDRN Cc1nn(-c2ccc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)cc2)c(C)c1Cl ZINC000041574261 821212708 /nfs/dbraw/zinc/21/27/08/821212708.db2.gz JKGJOTVOSVWJRL-QGZVFWFLSA-N 0 0 379.851 4.039 20 30 GIEDRN N#Cc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)c(F)c1 ZINC000177857963 823537142 /nfs/dbraw/zinc/53/71/42/823537142.db2.gz GPPMXXFTOYVLEV-QGZVFWFLSA-N 0 0 375.241 4.463 20 30 GIEDRN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccccc1C#N ZINC000123750385 823537184 /nfs/dbraw/zinc/53/71/84/823537184.db2.gz DIUKPEMKTFUXNI-HNNXBMFYSA-N 0 0 387.277 4.155 20 30 GIEDRN CCc1cccc(OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000041760430 821224350 /nfs/dbraw/zinc/22/43/50/821224350.db2.gz VDCSZXBAGMLCAZ-UHFFFAOYSA-N 0 0 391.427 4.191 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc(Cc2ccccn2)n1CC(C)C ZINC000460899091 823538118 /nfs/dbraw/zinc/53/81/18/823538118.db2.gz UDBPNBSWKACYDN-UHFFFAOYSA-N 0 0 379.483 4.252 20 30 GIEDRN CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000041851594 821237812 /nfs/dbraw/zinc/23/78/12/821237812.db2.gz OMGSRWGEGKKHMN-SFHVURJKSA-N 0 0 383.879 4.444 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000041897654 821243722 /nfs/dbraw/zinc/24/37/22/821243722.db2.gz YGEFLGWRGILMNO-VFNWGFHPSA-N 0 0 394.519 4.254 20 30 GIEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000041897646 821243801 /nfs/dbraw/zinc/24/38/01/821243801.db2.gz YGEFLGWRGILMNO-BTYIYWSLSA-N 0 0 394.519 4.254 20 30 GIEDRN N#Cc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000041973956 821250979 /nfs/dbraw/zinc/25/09/79/821250979.db2.gz KTKCKDLYRWDVFZ-KPKJPENVSA-N 0 0 386.411 4.125 20 30 GIEDRN O=C(CCc1nc2ccccc2n1-c1ccccc1)NCC#Cc1ccccc1 ZINC000042062718 821259134 /nfs/dbraw/zinc/25/91/34/821259134.db2.gz FRNKQMWZGNUURE-UHFFFAOYSA-N 0 0 379.463 4.126 20 30 GIEDRN CC(C)(C#N)c1ccc(NC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000190119827 823539885 /nfs/dbraw/zinc/53/98/85/823539885.db2.gz TZBSSWHAHHNSCP-KBXCAEBGSA-N 0 0 383.414 4.093 20 30 GIEDRN CCn1c(SCCCOc2ccc(C#N)cc2)nnc1-c1ccccc1OC ZINC000042152241 821275594 /nfs/dbraw/zinc/27/55/94/821275594.db2.gz KEIJKJIKORCBCF-UHFFFAOYSA-N 0 0 394.500 4.406 20 30 GIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000042368793 821304805 /nfs/dbraw/zinc/30/48/05/821304805.db2.gz GAABRHSVBMEKQM-UHFFFAOYSA-N 0 0 379.441 4.016 20 30 GIEDRN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000042622027 821314740 /nfs/dbraw/zinc/31/47/40/821314740.db2.gz VJDLRSOYEFADSZ-UHFFFAOYSA-N 0 0 389.436 4.120 20 30 GIEDRN COC(=O)c1ccc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000042642482 821318561 /nfs/dbraw/zinc/31/85/61/821318561.db2.gz HPTWGCRHVWDSPD-CQSZACIVSA-N 0 0 386.448 4.040 20 30 GIEDRN Cc1cc(C)c(C#N)c(S[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C(C)C)n1 ZINC000042898182 821343240 /nfs/dbraw/zinc/34/32/40/821343240.db2.gz WDBXBXNZEIAZFT-UYAOXDASSA-N 0 0 395.528 4.327 20 30 GIEDRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCn2ccnc2)cc1Cl ZINC000042899088 821343464 /nfs/dbraw/zinc/34/34/64/821343464.db2.gz HLIRREMWOIHAMT-IBGZPJMESA-N 0 0 393.878 4.404 20 30 GIEDRN C=CCn1c(S[C@H](C(=O)NC(C)(C)CC)C(C)C)nnc1-c1ccoc1C ZINC000042977866 821350327 /nfs/dbraw/zinc/35/03/27/821350327.db2.gz YNLNFDDICSQYFA-INIZCTEOSA-N 0 0 390.553 4.454 20 30 GIEDRN Cc1cccc(C(C)C)c1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000043281477 821386563 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CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000056213839 823105355 /nfs/dbraw/zinc/10/53/55/823105355.db2.gz RPDPBVKREWSWGK-UHFFFAOYSA-N 0 0 386.502 4.335 20 30 GIEDRN N#Cc1ccccc1COc1ccc(C(=O)NCc2ccc(Cl)nc2)cc1 ZINC000121027225 823105385 /nfs/dbraw/zinc/10/53/85/823105385.db2.gz BWBYRGCZXHYRGO-UHFFFAOYSA-N 0 0 377.831 4.116 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000458934079 823108514 /nfs/dbraw/zinc/10/85/14/823108514.db2.gz UAGYAZWBWNPJGA-KNQAVFIVSA-N 0 0 382.504 4.444 20 30 GIEDRN CN1CCC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c2ccccc21 ZINC000570902750 823105646 /nfs/dbraw/zinc/10/56/46/823105646.db2.gz FOCNZQXUOHEXOH-NRFANRHFSA-N 0 0 399.498 4.165 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)CSC[C@H]3CCCCO3)c2)c1 ZINC000056232321 823108834 /nfs/dbraw/zinc/10/88/34/823108834.db2.gz AIJHFSSIIDBYHP-OAQYLSRUSA-N 0 0 396.512 4.378 20 30 GIEDRN CCN(C(=O)c1cnn2c1nccc2-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000056222509 823106401 /nfs/dbraw/zinc/10/64/01/823106401.db2.gz YVETWAZFRIWOJX-QGZVFWFLSA-N 0 0 395.466 4.491 20 30 GIEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000056224493 823107010 /nfs/dbraw/zinc/10/70/10/823107010.db2.gz NRSXUVSOAJWMIN-INIZCTEOSA-N 0 0 391.471 4.027 20 30 GIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC000570945238 823110432 /nfs/dbraw/zinc/11/04/32/823110432.db2.gz RCKZHCCAFVZVDD-UHFFFAOYSA-N 0 0 383.540 4.256 20 30 GIEDRN N#CC1(NC(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)CCSCC1 ZINC000570966631 823112883 /nfs/dbraw/zinc/11/28/83/823112883.db2.gz XVQQWKQAOYOLCN-UHFFFAOYSA-N 0 0 396.903 4.198 20 30 GIEDRN CSC[C@@](C)(C#N)NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000570967120 823113032 /nfs/dbraw/zinc/11/30/32/823113032.db2.gz UXBJSJSOFMOBQZ-QGZVFWFLSA-N 0 0 381.523 4.108 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000187690077 823113414 /nfs/dbraw/zinc/11/34/14/823113414.db2.gz LWLVSUJTEGDJFK-YGRLFVJLSA-N 0 0 387.295 4.058 20 30 GIEDRN CN(CC1(CO)CC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000187697398 823115049 /nfs/dbraw/zinc/11/50/49/823115049.db2.gz OZZVIYYZAWKIRH-GOSISDBHSA-N 0 0 383.879 4.232 20 30 GIEDRN N#Cc1cccc(OCCSCc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000056262778 823115773 /nfs/dbraw/zinc/11/57/73/823115773.db2.gz FEEVAQRGUZASEP-UHFFFAOYSA-N 0 0 380.513 4.497 20 30 GIEDRN Cc1cc(CC(C)(C)NC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1Br ZINC000459007840 823115894 /nfs/dbraw/zinc/11/58/94/823115894.db2.gz KOPQRLXUAOBSLT-HOCLYGCPSA-N 0 0 392.341 4.460 20 30 GIEDRN COc1cccc(C(C)=CC(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000176095405 823118729 /nfs/dbraw/zinc/11/87/29/823118729.db2.gz LQILPKWSXVPIGH-OQRGYWNNSA-N 0 0 386.810 4.239 20 30 GIEDRN CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)nc1 ZINC000571011536 823119806 /nfs/dbraw/zinc/11/98/06/823119806.db2.gz ITWGWNJQULLDLM-UHFFFAOYSA-N 0 0 376.460 4.040 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 ZINC000056300221 823122968 /nfs/dbraw/zinc/12/29/68/823122968.db2.gz GXXJRONCDKBXKO-UHFFFAOYSA-N 0 0 378.472 4.135 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000056300418 823123173 /nfs/dbraw/zinc/12/31/73/823123173.db2.gz BLIFBUXVUBWRAG-MRXNPFEDSA-N 0 0 382.435 4.046 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1 ZINC000056300851 823123491 /nfs/dbraw/zinc/12/34/91/823123491.db2.gz DDHPTDNJRIBSGV-UHFFFAOYSA-N 0 0 394.519 4.321 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000056300730 823123498 /nfs/dbraw/zinc/12/34/98/823123498.db2.gz OIFMTXPFUATMAY-HXUWFJFHSA-N 0 0 396.874 4.096 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000056300875 823123548 /nfs/dbraw/zinc/12/35/48/823123548.db2.gz CABMRCRRWXARSM-UHFFFAOYSA-N 0 0 387.439 4.408 20 30 GIEDRN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC000187749978 823125222 /nfs/dbraw/zinc/12/52/22/823125222.db2.gz YWIAVYDGIPWBDZ-QMTHXVAHSA-N 0 0 387.295 4.058 20 30 GIEDRN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC000187749958 823125301 /nfs/dbraw/zinc/12/53/01/823125301.db2.gz YWIAVYDGIPWBDZ-YGRLFVJLSA-N 0 0 387.295 4.058 20 30 GIEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000121160544 823129866 /nfs/dbraw/zinc/12/98/66/823129866.db2.gz YDMKXNTXTJKCLZ-ZTNFWEORSA-N 0 0 399.516 4.101 20 30 GIEDRN N#Cc1ccc(-c2nnc(N3CCC(COc4ccccc4)CC3)n2C2CC2)cc1 ZINC000571052906 823125595 /nfs/dbraw/zinc/12/55/95/823125595.db2.gz BYWSZHXBYUDCBU-UHFFFAOYSA-N 0 0 399.498 4.447 20 30 GIEDRN C=C(C)[C@@H](N[C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1ccc(F)c(F)c1 ZINC000187757059 823126547 /nfs/dbraw/zinc/12/65/47/823126547.db2.gz FLKIJIHYSUJCRG-ZUOKHONESA-N 0 0 390.430 4.216 20 30 GIEDRN C=CCC1(CNC(=O)N2CC[C@H](CN(CC)CC(F)(F)F)C2)CCCC1 ZINC000459110817 823129043 /nfs/dbraw/zinc/12/90/43/823129043.db2.gz SCXGSXBCGPHLBR-MRXNPFEDSA-N 0 0 375.479 4.039 20 30 GIEDRN CCOc1cc(Br)c(F)cc1NC(=O)Cc1c(F)cccc1C#N ZINC000571093508 823131134 /nfs/dbraw/zinc/13/11/34/823131134.db2.gz AEMRXPCIBDCROS-UHFFFAOYSA-N 0 0 395.203 4.179 20 30 GIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H](CCO)c2ccco2)c1 ZINC000187789650 823133581 /nfs/dbraw/zinc/13/35/81/823133581.db2.gz PPQQCCGZLROGGS-SFHVURJKSA-N 0 0 396.830 4.450 20 30 GIEDRN CC(C)n1cc(C#N)c(NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000187813830 823138857 /nfs/dbraw/zinc/13/88/57/823138857.db2.gz MVGWIDXVVVALFV-UHFFFAOYSA-N 0 0 392.381 4.196 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H](CCO)c2ccco2)cc1 ZINC000187807623 823137608 /nfs/dbraw/zinc/13/76/08/823137608.db2.gz ZDRXAIPDZUBGIZ-SFHVURJKSA-N 0 0 378.453 4.156 20 30 GIEDRN C=CCC[C@H](C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccccc1 ZINC000187811153 823138377 /nfs/dbraw/zinc/13/83/77/823138377.db2.gz VWGOCIHCWFGFPY-SFTDATJTSA-N 0 0 392.547 4.461 20 30 GIEDRN CC(C)O[C@H]1C[C@@H](NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000459179700 823139225 /nfs/dbraw/zinc/13/92/25/823139225.db2.gz MIUIMJMLEMVYOB-GRGXKFILSA-N 0 0 393.487 4.409 20 30 GIEDRN CO[C@H]([C@@H](C)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000459180614 823139253 /nfs/dbraw/zinc/13/92/53/823139253.db2.gz GLUMDSJSEIOFFH-OPAMFIHVSA-N 0 0 395.478 4.223 20 30 GIEDRN CCO[C@H]1C[C@@H](NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000459192849 823141242 /nfs/dbraw/zinc/14/12/42/823141242.db2.gz LEGCVJRKLOCZBS-PUZFROQSSA-N 0 0 379.460 4.021 20 30 GIEDRN CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000176167879 823141891 /nfs/dbraw/zinc/14/18/91/823141891.db2.gz RGDIXMQYNBVJEV-HXUWFJFHSA-N 0 0 393.487 4.189 20 30 GIEDRN CCOc1cc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000056411252 823145726 /nfs/dbraw/zinc/14/57/26/823145726.db2.gz TYOHBSUGGQIPOW-ZDUSSCGKSA-N 0 0 389.402 4.119 20 30 GIEDRN CC(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1(C)C ZINC000571191505 823146431 /nfs/dbraw/zinc/14/64/31/823146431.db2.gz NEHCQDPNHWOLHC-WOJBJXKFSA-N 0 0 394.475 4.459 20 30 GIEDRN C[C@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000121246505 823146600 /nfs/dbraw/zinc/14/66/00/823146600.db2.gz FHEGGTZBGUOCQF-HNAYVOBHSA-N 0 0 397.450 4.044 20 30 GIEDRN C#CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187852935 823146789 /nfs/dbraw/zinc/14/67/89/823146789.db2.gz NYEFEPTZWBYKFT-UHFFFAOYSA-N 0 0 389.455 4.032 20 30 GIEDRN COc1ccc(CNC(=O)Nc2ccc(CC#N)cc2)c(OC2CCCC2)c1 ZINC000176184099 823147610 /nfs/dbraw/zinc/14/76/10/823147610.db2.gz KSYDJICUASNVRH-UHFFFAOYSA-N 0 0 379.460 4.404 20 30 GIEDRN CSCC[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000571201677 823147638 /nfs/dbraw/zinc/14/76/38/823147638.db2.gz STIAMTIPEISTLJ-FQEVSTJZSA-N 0 0 382.489 4.096 20 30 GIEDRN COc1ccc(CNc2ccnn2Cc2ccccc2F)cc1OCCCC#N ZINC000121254099 823148464 /nfs/dbraw/zinc/14/84/64/823148464.db2.gz DGAFABPAEZSVTH-UHFFFAOYSA-N 0 0 394.450 4.374 20 30 GIEDRN CCOC(=O)C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1C ZINC000176189227 823148488 /nfs/dbraw/zinc/14/84/88/823148488.db2.gz JKKXZCAHECILGC-IBGZPJMESA-N 0 0 382.485 4.035 20 30 GIEDRN COc1ccc(-c2csc(CNC(=O)NCc3cccc(C#N)c3)c2)cc1 ZINC000176202109 823151357 /nfs/dbraw/zinc/15/13/57/823151357.db2.gz GOYPCSUUUSHQAB-UHFFFAOYSA-N 0 0 377.469 4.295 20 30 GIEDRN N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3C(F)(F)F)s2)cc1 ZINC000571211318 823149445 /nfs/dbraw/zinc/14/94/45/823149445.db2.gz FKSFJODLQOWAPU-UHFFFAOYSA-N 0 0 377.347 4.470 20 30 GIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cncn1Cc1ccccc1 ZINC000571213225 823149792 /nfs/dbraw/zinc/14/97/92/823149792.db2.gz GXECOLNOXDBIJK-UHFFFAOYSA-N 0 0 386.499 4.030 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N1CCC(c2ccccc2Br)CC1 ZINC000459240941 823149906 /nfs/dbraw/zinc/14/99/06/823149906.db2.gz QRTLEVYLZOKJLG-UHFFFAOYSA-N 0 0 378.314 4.278 20 30 GIEDRN CCCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000571216308 823150117 /nfs/dbraw/zinc/15/01/17/823150117.db2.gz GWLBQXMCNCKTNB-INIZCTEOSA-N 0 0 379.460 4.326 20 30 GIEDRN COc1cc(CNC(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000571218560 823150429 /nfs/dbraw/zinc/15/04/29/823150429.db2.gz ULVAZIFKLFDQNV-ZDUSSCGKSA-N 0 0 391.393 4.016 20 30 GIEDRN COC(=O)N(C)c1ccc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC000056449548 823151902 /nfs/dbraw/zinc/15/19/02/823151902.db2.gz ZTJISQDHWJTMBF-UHFFFAOYSA-N 0 0 396.472 4.007 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000459258121 823152593 /nfs/dbraw/zinc/15/25/93/823152593.db2.gz LDRWXPQUUHSHGE-UHFFFAOYSA-N 0 0 390.915 4.464 20 30 GIEDRN C=CC[C@@]1(C(=O)N[C@@H](CC)c2nccs2)CCCN1C(=O)OC(C)(C)C ZINC000187893590 823153575 /nfs/dbraw/zinc/15/35/75/823153575.db2.gz YJKDFWSONDIEKE-LIRRHRJNSA-N 0 0 379.526 4.056 20 30 GIEDRN CC(C)(CC#N)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000459264671 823153613 /nfs/dbraw/zinc/15/36/13/823153613.db2.gz ZQYVCOUDRFUPBZ-UHFFFAOYSA-N 0 0 376.460 4.393 20 30 GIEDRN CC[C@@H](CC#N)OC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000187906549 823156510 /nfs/dbraw/zinc/15/65/10/823156510.db2.gz KMKCSHJMXVGUPB-LBPRGKRZSA-N 0 0 377.447 4.360 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000056468559 823156130 /nfs/dbraw/zinc/15/61/30/823156130.db2.gz DVWOUTGHSWFEBM-UHFFFAOYSA-N 0 0 390.487 4.029 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000459250054 823151587 /nfs/dbraw/zinc/15/15/87/823151587.db2.gz ZIIXJHNBWSTESV-SFHVURJKSA-N 0 0 383.471 4.392 20 30 GIEDRN COc1ccc(-c2csc(CNC(=O)NCc3ccc(C#N)cc3)c2)cc1 ZINC000176202611 823151571 /nfs/dbraw/zinc/15/15/71/823151571.db2.gz HCUPRIJJKQGSFW-UHFFFAOYSA-N 0 0 377.469 4.295 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000056470409 823156767 /nfs/dbraw/zinc/15/67/67/823156767.db2.gz FZUNHNQVQABPKV-HNNXBMFYSA-N 0 0 389.411 4.009 20 30 GIEDRN COCCc1ccc2oc(NCc3cccn3Cc3ccccc3C#N)nc2c1 ZINC000187912956 823157095 /nfs/dbraw/zinc/15/70/95/823157095.db2.gz OYROMJADCNEKMB-UHFFFAOYSA-N 0 0 386.455 4.350 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1ccc(SCc2nc(C)no2)cc1 ZINC000056477624 823157505 /nfs/dbraw/zinc/15/75/05/823157505.db2.gz OWDZNPNJHNZHPX-UHFFFAOYSA-N 0 0 394.456 4.193 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000056478834 823158091 /nfs/dbraw/zinc/15/80/91/823158091.db2.gz HDYUFBJIADFKQI-ZDUSSCGKSA-N 0 0 383.473 4.035 20 30 GIEDRN N#Cc1ccc(C(F)(F)F)c(N2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000121314066 823161287 /nfs/dbraw/zinc/16/12/87/823161287.db2.gz ZHUDAQWDOMAWKO-UHFFFAOYSA-N 0 0 391.368 4.069 20 30 GIEDRN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1oc2c(cccc2C)c1C ZINC000121318747 823162488 /nfs/dbraw/zinc/16/24/88/823162488.db2.gz PKFMQASVVDRCDF-INIZCTEOSA-N 0 0 376.412 4.410 20 30 GIEDRN N#Cc1cccc(OC2CCN(Cc3cccc(O)c3Br)CC2)c1 ZINC000459332369 823162895 /nfs/dbraw/zinc/16/28/95/823162895.db2.gz WEPQIYKZHGHXMS-UHFFFAOYSA-N 0 0 387.277 4.070 20 30 GIEDRN CCOc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc(Cl)c1O ZINC000459334173 823163225 /nfs/dbraw/zinc/16/32/25/823163225.db2.gz FRSREHOJLDFFAJ-UHFFFAOYSA-N 0 0 386.879 4.359 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000187958650 823163916 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N#Cc1ccsc1N1CC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000177142324 823381311 /nfs/dbraw/zinc/38/13/11/823381311.db2.gz MYRJGRYATGSNGR-PMACEKPBSA-N 0 0 391.471 4.243 20 30 GIEDRN N#Cc1ccsc1N1CC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1=O ZINC000177142306 823381463 /nfs/dbraw/zinc/38/14/63/823381463.db2.gz MYRJGRYATGSNGR-WOJBJXKFSA-N 0 0 391.471 4.243 20 30 GIEDRN Cc1nc(SCC(=O)NCC2(c3ccccc3)CCC2)c(C#N)c(C)c1C ZINC000024367608 819051820 /nfs/dbraw/zinc/05/18/20/819051820.db2.gz ZYGDOODCKAVGRN-UHFFFAOYSA-N 0 0 379.529 4.209 20 30 GIEDRN Cc1ccc(SCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000024378761 819052633 /nfs/dbraw/zinc/05/26/33/819052633.db2.gz SCTWPOVCAPZXCJ-NRFANRHFSA-N 0 0 397.519 4.025 20 30 GIEDRN C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C ZINC000024457690 819059139 /nfs/dbraw/zinc/05/91/39/819059139.db2.gz ZXRDDAYJLDGCTO-UHFFFAOYSA-N 0 0 386.517 4.142 20 30 GIEDRN Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCc2ccccc2)o1 ZINC000460420242 823383236 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C=C(C)COc1cc(CNc2cccc(CN3CCOCC3)c2)ccc1OC ZINC000122737561 823403225 /nfs/dbraw/zinc/40/32/25/823403225.db2.gz PAFWWJPCZHSLBQ-UHFFFAOYSA-N 0 0 382.504 4.094 20 30 GIEDRN C[C@@H](NC(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000572848140 823408802 /nfs/dbraw/zinc/40/88/02/823408802.db2.gz QAHOPKBNKWRJLX-DYESRHJHSA-N 0 0 375.472 4.183 20 30 GIEDRN C=CCn1c(S[C@@H](C(=O)NC2CCCCC2)C(C)C)nnc1-c1cccnc1 ZINC000122762328 823408013 /nfs/dbraw/zinc/40/80/13/823408013.db2.gz LIBARYSNYDUORB-GOSISDBHSA-N 0 0 399.564 4.092 20 30 GIEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410182696 823413286 /nfs/dbraw/zinc/41/32/86/823413286.db2.gz SNYMCUZURXYWLO-QZTJIDSGSA-N 0 0 379.451 4.276 20 30 GIEDRN CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1[C@@H]1CCCO1 ZINC000572895680 823416104 /nfs/dbraw/zinc/41/61/04/823416104.db2.gz IMHQMJOCLMLMLW-SFTDATJTSA-N 0 0 376.456 4.380 20 30 GIEDRN CC1(C)CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1[C@@H]1CCCO1 ZINC000572895677 823416166 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Cc1ccc(-c2ccnn2C)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000410208977 823420557 /nfs/dbraw/zinc/42/05/57/823420557.db2.gz PGVASPBBTIJMJU-UHFFFAOYSA-N 0 0 388.471 4.455 20 30 GIEDRN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189476551 823425418 /nfs/dbraw/zinc/42/54/18/823425418.db2.gz CKJFZFCQBYSZCN-HNNXBMFYSA-N 0 0 375.432 4.309 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000189477003 823425726 /nfs/dbraw/zinc/42/57/26/823425726.db2.gz HMSFSXFDUVQXJK-SECBINFHSA-N 0 0 396.661 4.334 20 30 GIEDRN C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)c1ccc(C)cc1 ZINC000460544500 823426056 /nfs/dbraw/zinc/42/60/56/823426056.db2.gz LOXFRLXAOTXTME-LJQANCHMSA-N 0 0 378.524 4.222 20 30 GIEDRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CNc1ccc(C#N)cc1 ZINC000122870509 823426345 /nfs/dbraw/zinc/42/63/45/823426345.db2.gz PAMDVAGWJXTLHT-GOSISDBHSA-N 0 0 399.926 4.148 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N(C)[C@H](C)CC#N ZINC000460547583 823427568 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COC(=O)C1(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000187058722 823005057 /nfs/dbraw/zinc/00/50/57/823005057.db2.gz UOJVKCFYARKVNZ-QGZVFWFLSA-N 0 0 397.862 4.070 20 30 GIEDRN N#CC1CCC(CNC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000570096180 823005557 /nfs/dbraw/zinc/00/55/57/823005557.db2.gz ITFBNURUFLVCMY-UHFFFAOYSA-N 0 0 387.224 4.110 20 30 GIEDRN Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)c2cnn(C)c2n1 ZINC000175609341 823005986 /nfs/dbraw/zinc/00/59/86/823005986.db2.gz OCSZTYURUFSDRA-UHFFFAOYSA-N 0 0 383.411 4.193 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000175621705 823008181 /nfs/dbraw/zinc/00/81/81/823008181.db2.gz IFDBVFXZRHKMFJ-LJQANCHMSA-N 0 0 379.460 4.028 20 30 GIEDRN N#CCSc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000175634187 823010240 /nfs/dbraw/zinc/01/02/40/823010240.db2.gz SIMFYPZKXYRFEU-UHFFFAOYSA-N 0 0 380.391 4.130 20 30 GIEDRN N#C[C@H]1N(Cc2cncc(OCc3ccccc3)c2)CCC[C@]12CCCCO2 ZINC000570155078 823011086 /nfs/dbraw/zinc/01/10/86/823011086.db2.gz PUTYMKVQSASCOO-DHIUTWEWSA-N 0 0 377.488 4.088 20 30 GIEDRN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000570177513 823012401 /nfs/dbraw/zinc/01/24/01/823012401.db2.gz RLQWFIBKBUHKEQ-MWTRTKDXSA-N 0 0 379.504 4.424 20 30 GIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCSc1cccc(Cl)c1 ZINC000570196640 823014158 /nfs/dbraw/zinc/01/41/58/823014158.db2.gz ADHGICBPFBLRCS-UHFFFAOYSA-N 0 0 397.891 4.222 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C ZINC000570203673 823014915 /nfs/dbraw/zinc/01/49/15/823014915.db2.gz IPKWPIPOMUJOTF-FPOVZHCZSA-N 0 0 392.478 4.392 20 30 GIEDRN C=CCn1c(-c2scnc2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000570211326 823015883 /nfs/dbraw/zinc/01/58/83/823015883.db2.gz FDUPZLWVLACBKT-GFCCVEGCSA-N 0 0 375.448 4.372 20 30 GIEDRN N#CCSc1cccc(C(=O)NCc2ccccc2OCC(F)(F)F)c1 ZINC000175670680 823016906 /nfs/dbraw/zinc/01/69/06/823016906.db2.gz HCCBJIFJWINRLL-UHFFFAOYSA-N 0 0 380.391 4.173 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)N(C)Cc1ccc(Cl)s1)c1ccccc1 ZINC000570237474 823017486 /nfs/dbraw/zinc/01/74/86/823017486.db2.gz DNOQRINTAIVJQL-INIZCTEOSA-N 0 0 376.909 4.184 20 30 GIEDRN C=CCC[C@H](NC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1)c1ccccc1 ZINC000570238026 823017786 /nfs/dbraw/zinc/01/77/86/823017786.db2.gz PYFNEMDXLQETBS-VXKWHMMOSA-N 0 0 391.515 4.349 20 30 GIEDRN C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]1CSC ZINC000570248587 823018870 /nfs/dbraw/zinc/01/88/70/823018870.db2.gz RTLLJGHVWZUMAU-OAHLLOKOSA-N 0 0 378.929 4.028 20 30 GIEDRN CCCNC(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1Cl ZINC000175682371 823019498 /nfs/dbraw/zinc/01/94/98/823019498.db2.gz JBVNEZNLRNZCPW-UHFFFAOYSA-N 0 0 387.892 4.348 20 30 GIEDRN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000175687830 823020514 /nfs/dbraw/zinc/02/05/14/823020514.db2.gz LJJNUKBPVLMHNU-UHFFFAOYSA-N 0 0 392.431 4.159 20 30 GIEDRN CC[C@@]1(CO)CCCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000187173988 823020744 /nfs/dbraw/zinc/02/07/44/823020744.db2.gz VJFAYUWMKUBZRU-HSZRJFAPSA-N 0 0 378.472 4.284 20 30 GIEDRN CCN(CC)c1ccc(-c2nnc(SCc3ccc(C#N)cn3)n2CC)cc1 ZINC000570264887 823020803 /nfs/dbraw/zinc/02/08/03/823020803.db2.gz ZIEDLHFTZZGFCT-UHFFFAOYSA-N 0 0 392.532 4.370 20 30 GIEDRN N#CCSc1cccc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000175692704 823021696 /nfs/dbraw/zinc/02/16/96/823021696.db2.gz GAKPKCGJMCPZKZ-SFHVURJKSA-N 0 0 378.457 4.282 20 30 GIEDRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000175704211 823023851 /nfs/dbraw/zinc/02/38/51/823023851.db2.gz GPEAMZSQZMLPCS-UHFFFAOYSA-N 0 0 381.501 4.249 20 30 GIEDRN C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[C@@H]1O ZINC000570304739 823024233 /nfs/dbraw/zinc/02/42/33/823024233.db2.gz KWJBFBHNMJODIY-KUHUBIRLSA-N 0 0 399.878 4.025 20 30 GIEDRN O=C(/C=C/c1cnn(Cc2ccc(F)cc2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000187215440 823026036 /nfs/dbraw/zinc/02/60/36/823026036.db2.gz LVHKGZDUNRODBN-ZZXKWVIFSA-N 0 0 399.472 4.072 20 30 GIEDRN O=C(CCC(=O)c1ccc(F)cc1F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175716737 823026267 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N#CCSc1cccc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC000175770128 823036051 /nfs/dbraw/zinc/03/60/51/823036051.db2.gz URYXLMHNWRFJGG-UHFFFAOYSA-N 0 0 399.369 4.229 20 30 GIEDRN Cc1nc(C(=O)N[C@@](C)(C#N)C2CCCCC2)nn1-c1ccccc1C(C)C ZINC000570423971 823036097 /nfs/dbraw/zinc/03/60/97/823036097.db2.gz GQKKSGWEYLAOMX-QFIPXVFZSA-N 0 0 379.508 4.292 20 30 GIEDRN CC(C)(C)c1cc(NC(=O)c2cccc(SCC#N)c2)n(-c2ccccn2)n1 ZINC000175771800 823036544 /nfs/dbraw/zinc/03/65/44/823036544.db2.gz CZHWLWJEIBBHFW-UHFFFAOYSA-N 0 0 391.500 4.433 20 30 GIEDRN CC(C)(C)C1CCC(C#N)(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1 ZINC000187294238 823038302 /nfs/dbraw/zinc/03/83/02/823038302.db2.gz JWKIEONLJRKLDZ-UHFFFAOYSA-N 0 0 381.520 4.119 20 30 GIEDRN N#CCCC1CCN(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CC1 ZINC000570449093 823039940 /nfs/dbraw/zinc/03/99/40/823039940.db2.gz KZUIDFCGIBTUKV-UHFFFAOYSA-N 0 0 377.492 4.434 20 30 GIEDRN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCC(CCC#N)CC2)c1 ZINC000570448939 823039953 /nfs/dbraw/zinc/03/99/53/823039953.db2.gz ZBETUULPNRGISW-SANMLTNESA-N 0 0 375.538 4.281 20 30 GIEDRN N#CC1(CNC(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)CC1 ZINC000570464459 823040991 /nfs/dbraw/zinc/04/09/91/823040991.db2.gz IJEFSYAZHPRLCW-UHFFFAOYSA-N 0 0 388.393 4.116 20 30 GIEDRN Cc1nnc(N2CC(CN3CC(C)(C)c4ccc(C5CC5)cc43)C2)c(C#N)c1C ZINC000570464594 823041019 /nfs/dbraw/zinc/04/10/19/823041019.db2.gz UIDNPZVOEBBATI-UHFFFAOYSA-N 0 0 387.531 4.077 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000175791963 823041272 /nfs/dbraw/zinc/04/12/72/823041272.db2.gz ARUADSKDBCNJBK-UHFFFAOYSA-N 0 0 377.473 4.481 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cc1OC ZINC000570468725 823041967 /nfs/dbraw/zinc/04/19/67/823041967.db2.gz DAERCLPLAHYDCP-UHFFFAOYSA-N 0 0 377.400 4.095 20 30 GIEDRN COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000055771711 823042180 /nfs/dbraw/zinc/04/21/80/823042180.db2.gz QSMALKITCPESCW-UHFFFAOYSA-N 0 0 399.450 4.390 20 30 GIEDRN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000055771980 823042391 /nfs/dbraw/zinc/04/23/91/823042391.db2.gz QCJKHPCFKJWKKE-MRXNPFEDSA-N 0 0 385.423 4.217 20 30 GIEDRN C[C@@H](OCc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000055772110 823042395 /nfs/dbraw/zinc/04/23/95/823042395.db2.gz JNIFFHMFRWAYNW-QGZVFWFLSA-N 0 0 399.450 4.354 20 30 GIEDRN C=CC[C@@H](C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccccc1 ZINC000187318294 823042889 /nfs/dbraw/zinc/04/28/89/823042889.db2.gz HIQOVPARSLGHFH-JOCHJYFZSA-N 0 0 385.467 4.310 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000055785232 823044122 /nfs/dbraw/zinc/04/41/22/823044122.db2.gz SYNKZEHDIOAXBC-KUHUBIRLSA-N 0 0 399.288 4.452 20 30 GIEDRN C[C@H](OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C#N)cc1 ZINC000175806709 823044757 /nfs/dbraw/zinc/04/47/57/823044757.db2.gz JYQWWVZRDNLKMV-ZDUSSCGKSA-N 0 0 381.819 4.499 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190141835 823542295 /nfs/dbraw/zinc/54/22/95/823542295.db2.gz NUNBJRWRKRUZPB-SJLPKXTDSA-N 0 0 384.480 4.224 20 30 GIEDRN N#Cc1cc(F)ccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000177893971 823542686 /nfs/dbraw/zinc/54/26/86/823542686.db2.gz VMSXVQNKNFHOEE-UHFFFAOYSA-N 0 0 380.423 4.148 20 30 GIEDRN C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000460923518 823543153 /nfs/dbraw/zinc/54/31/53/823543153.db2.gz DLMVFMQPNGWWRW-IXIUHKBRSA-N 0 0 384.499 4.473 20 30 GIEDRN COc1nc(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)cc2ccccc21 ZINC000123827210 823543582 /nfs/dbraw/zinc/54/35/82/823543582.db2.gz FVNBIGUIWIMAKK-UHFFFAOYSA-N 0 0 399.372 4.320 20 30 GIEDRN C=CCN(CCc1ccco1)c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCO1 ZINC000460926189 823543727 /nfs/dbraw/zinc/54/37/27/823543727.db2.gz PPIGWCXTARJEGP-IBGZPJMESA-N 0 0 396.491 4.162 20 30 GIEDRN C=CCN(CC=C)c1nnc(CSc2ccc(C)cc2)n1C[C@@H]1CCCO1 ZINC000460926945 823543968 /nfs/dbraw/zinc/54/39/68/823543968.db2.gz RGMRKWBTTDBAOP-SFHVURJKSA-N 0 0 384.549 4.236 20 30 GIEDRN C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1cccc(C)n1 ZINC000460928022 823544090 /nfs/dbraw/zinc/54/40/90/823544090.db2.gz AFSZJMAHVPSVKY-UHFFFAOYSA-N 0 0 384.487 4.409 20 30 GIEDRN C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC000460930457 823544830 /nfs/dbraw/zinc/54/48/30/823544830.db2.gz IGVVUVRWWGBOEK-UHFFFAOYSA-N 0 0 381.430 4.066 20 30 GIEDRN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N ZINC000060582942 823544807 /nfs/dbraw/zinc/54/48/07/823544807.db2.gz YVMNOSMTXLALPU-STQMWFEESA-N 0 0 379.489 4.040 20 30 GIEDRN C=CCn1c(=S)n(CN2CCC([C@H]3CCCO3)CC2)nc1-c1cccs1 ZINC000190169872 823545448 /nfs/dbraw/zinc/54/54/48/823545448.db2.gz PGBHBRMFCXGPER-MRXNPFEDSA-N 0 0 390.578 4.177 20 30 GIEDRN CCc1ccc([C@H]2CN(C(=O)Nc3ccccc3O[C@H](C)C#N)CCO2)cc1 ZINC000190170591 823545666 /nfs/dbraw/zinc/54/56/66/823545666.db2.gz GMEIURJGRCFYLF-IIBYNOLFSA-N 0 0 379.460 4.145 20 30 GIEDRN C[C@@H]1CC[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)c2ccccc21 ZINC000460936279 823546286 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396.472 4.306 20 30 GIEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130063 823252625 /nfs/dbraw/zinc/25/26/25/823252625.db2.gz GXVIVDHYYKGFIZ-ZDUSSCGKSA-N 0 0 379.847 4.045 20 30 GIEDRN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)oc1C ZINC000057120374 823250875 /nfs/dbraw/zinc/25/08/75/823250875.db2.gz LXFSJHLAUHGFON-UHFFFAOYSA-N 0 0 387.848 4.284 20 30 GIEDRN N#CCN(C(=O)c1cc(C(F)(F)F)ccc1Br)C1CCCC1 ZINC000121796366 823253002 /nfs/dbraw/zinc/25/30/02/823253002.db2.gz WDIDTDFPOIURGQ-UHFFFAOYSA-N 0 0 375.188 4.376 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnn(-c2ccccc2OC)c1C ZINC000409587668 823255338 /nfs/dbraw/zinc/25/53/38/823255338.db2.gz AVRDDEUWHRGTTQ-UHFFFAOYSA-N 0 0 391.471 4.026 20 30 GIEDRN N#Cc1cnn(-c2ccc(-c3nc(-c4ccc5ccccc5c4)no3)cc2)c1N ZINC000571925496 823255380 /nfs/dbraw/zinc/25/53/80/823255380.db2.gz ZMVKYZDPRNTWGG-UHFFFAOYSA-N 0 0 378.395 4.196 20 30 GIEDRN N#Cc1c(Cl)nsc1NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000057151262 823255455 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C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccccc1OC ZINC000005131412 817553305 /nfs/dbraw/zinc/55/33/05/817553305.db2.gz UOLBYSYPQQDARD-OAHLLOKOSA-N 0 0 394.500 4.259 20 30 GIEDRN N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCC[C@H]3CCO)c2)cc1 ZINC000188608277 823271999 /nfs/dbraw/zinc/27/19/99/823271999.db2.gz YMAQUDGWINSQPE-UGKGYDQZSA-N 0 0 393.487 4.004 20 30 GIEDRN C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121908330 823274684 /nfs/dbraw/zinc/27/46/84/823274684.db2.gz PQSSWGOGHNUPBI-UHFFFAOYSA-N 0 0 381.432 4.034 20 30 GIEDRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccc1C#N ZINC000005224757 817563533 /nfs/dbraw/zinc/56/35/33/817563533.db2.gz ALPWDYLGKLHYJE-LJQANCHMSA-N 0 0 384.863 4.100 20 30 GIEDRN Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)coc2c1C ZINC000005301571 817571006 /nfs/dbraw/zinc/57/10/06/817571006.db2.gz DLTMLJOBMRPWAA-UHFFFAOYSA-N 0 0 396.830 4.299 20 30 GIEDRN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000005309594 817571924 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N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(Cl)c1Cl ZINC000005530486 817591402 /nfs/dbraw/zinc/59/14/02/817591402.db2.gz HLYPHRKQOUNPTO-UHFFFAOYSA-N 0 0 383.618 4.314 20 30 GIEDRN Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000005562726 817595287 /nfs/dbraw/zinc/59/52/87/817595287.db2.gz GDSHYCSKENKUHP-UHFFFAOYSA-N 0 0 376.437 4.391 20 30 GIEDRN CC(C)OCCCn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000005568626 817596560 /nfs/dbraw/zinc/59/65/60/817596560.db2.gz CGNUMKIXJDWXBP-UHFFFAOYSA-N 0 0 393.512 4.376 20 30 GIEDRN C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CCSC1 ZINC000572049653 823274321 /nfs/dbraw/zinc/27/43/21/823274321.db2.gz RRBLZIMBRHISSU-UKRRQHHQSA-N 0 0 378.929 4.199 20 30 GIEDRN N#Cc1cc2c(nc1NC(=O)c1cccc(OCc3cscn3)c1)CCCC2 ZINC000121928908 823278837 /nfs/dbraw/zinc/27/88/37/823278837.db2.gz VGILCEMDOVKKFH-UHFFFAOYSA-N 0 0 390.468 4.120 20 30 GIEDRN C=CCNc1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 ZINC000005785735 817617600 /nfs/dbraw/zinc/61/76/00/817617600.db2.gz SCUCPJIVHQEOEV-UHFFFAOYSA-N 0 0 390.456 4.092 20 30 GIEDRN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005813085 817620024 /nfs/dbraw/zinc/62/00/24/817620024.db2.gz ZFXMQBMODIUJHT-OAHLLOKOSA-N 0 0 392.455 4.264 20 30 GIEDRN N#Cc1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000005840175 817621080 /nfs/dbraw/zinc/62/10/80/817621080.db2.gz ZLZICRXQEFOKJW-UHFFFAOYSA-N 0 0 382.847 4.205 20 30 GIEDRN Cc1cc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)n2c2ccccc12 ZINC000005885892 817628309 /nfs/dbraw/zinc/62/83/09/817628309.db2.gz AHWKFLLZSMVMQB-OAHLLOKOSA-N 0 0 393.516 4.014 20 30 GIEDRN C=CCN(C(=O)c1cccc(C2CCC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000409672202 823279935 /nfs/dbraw/zinc/27/99/35/823279935.db2.gz PLRPJMZJSRRCCY-QGZVFWFLSA-N 0 0 387.487 4.319 20 30 GIEDRN CCOc1ccc(CCC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000409655083 823275147 /nfs/dbraw/zinc/27/51/47/823275147.db2.gz DYQDLCDZGOWGLZ-UHFFFAOYSA-N 0 0 392.377 4.469 20 30 GIEDRN N#Cc1cccc(COC(=O)c2cccnc2SCc2cccc(C#N)c2)c1 ZINC000006012533 817640018 /nfs/dbraw/zinc/64/00/18/817640018.db2.gz PWAKYTSNVLFPGE-UHFFFAOYSA-N 0 0 385.448 4.474 20 30 GIEDRN C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1ccccc1C#N ZINC000006062971 817647199 /nfs/dbraw/zinc/64/71/99/817647199.db2.gz DCMJKTPPJXJJSV-HNNXBMFYSA-N 0 0 380.419 4.080 20 30 GIEDRN COC(=O)[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000176719355 823276448 /nfs/dbraw/zinc/27/64/48/823276448.db2.gz ZLXHSDOOBCNXMT-NRFANRHFSA-N 0 0 385.423 4.137 20 30 GIEDRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C#N)o1 ZINC000459986304 823276491 /nfs/dbraw/zinc/27/64/91/823276491.db2.gz RWQGYMZWUNGCFI-CHWSQXEVSA-N 0 0 385.851 4.460 20 30 GIEDRN COC(=O)[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1cccc(C#N)c1 ZINC000176719339 823276501 /nfs/dbraw/zinc/27/65/01/823276501.db2.gz ZLXHSDOOBCNXMT-OAQYLSRUSA-N 0 0 385.423 4.137 20 30 GIEDRN N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)n2)c1 ZINC000409661126 823276661 /nfs/dbraw/zinc/27/66/61/823276661.db2.gz CKTOXNXBXJVTRD-UHFFFAOYSA-N 0 0 382.427 4.140 20 30 GIEDRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C#N)n1C ZINC000459988777 823276908 /nfs/dbraw/zinc/27/69/08/823276908.db2.gz VTMQBQNBNPCDJL-KBPBESRZSA-N 0 0 398.894 4.206 20 30 GIEDRN CC(C)c1ccccc1-n1c2nnc(SCCC#N)n2c2ccccc2c1=O ZINC000006129028 817659967 /nfs/dbraw/zinc/65/99/67/817659967.db2.gz WBCCRHHNTBECEZ-UHFFFAOYSA-N 0 0 389.484 4.163 20 30 GIEDRN CC(C)c1ccccc1-n1c2nnc(S[C@H](C)C#N)n2c2ccccc2c1=O ZINC000006129020 817660042 /nfs/dbraw/zinc/66/00/42/817660042.db2.gz OPRZSULNHMXYQK-CQSZACIVSA-N 0 0 389.484 4.161 20 30 GIEDRN Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000006432231 817691940 /nfs/dbraw/zinc/69/19/40/817691940.db2.gz PNOLSOILASUZDK-FMIVXFBMSA-N 0 0 375.515 4.127 20 30 GIEDRN COc1cccc(-c2nc(COC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cs2)c1 ZINC000006467063 817695951 /nfs/dbraw/zinc/69/59/51/817695951.db2.gz WZXOSMUYANXCQE-CQSZACIVSA-N 0 0 394.452 4.201 20 30 GIEDRN 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ZINC000122148415 823313276 /nfs/dbraw/zinc/31/32/76/823313276.db2.gz VNACSSLPSJXLSG-CQSZACIVSA-N 0 0 396.516 4.399 20 30 GIEDRN CCn1c(COCc2ccccc2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000460197551 823313704 /nfs/dbraw/zinc/31/37/04/823313704.db2.gz PMEAIRKQFKTNJE-UHFFFAOYSA-N 0 0 399.498 4.180 20 30 GIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC000572288026 823314032 /nfs/dbraw/zinc/31/40/32/823314032.db2.gz BGSNAPXNPMNDAV-HKUYNNGSSA-N 0 0 397.548 4.025 20 30 GIEDRN C=CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccoc1C ZINC000012056314 818139828 /nfs/dbraw/zinc/13/98/28/818139828.db2.gz VIDRNKLCUQHWNW-UHFFFAOYSA-N 0 0 390.415 4.042 20 30 GIEDRN N#CC1(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)CCCCC1 ZINC000122167559 823315764 /nfs/dbraw/zinc/31/57/64/823315764.db2.gz NTFBAWQRPDQPBB-UHFFFAOYSA-N 0 0 389.499 4.035 20 30 GIEDRN N#C[C@@H]1COCCN1C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000176878096 823315933 /nfs/dbraw/zinc/31/59/33/823315933.db2.gz ZVIVZFPRSJOIJM-CYBMUJFWSA-N 0 0 384.482 4.151 20 30 GIEDRN C=CCN(Cc1ccccc1)c1nnc(-c2cccc(OC)c2OC)n1CC ZINC000460203616 823316021 /nfs/dbraw/zinc/31/60/21/823316021.db2.gz RWGFUGNAPRRSGJ-UHFFFAOYSA-N 0 0 378.476 4.175 20 30 GIEDRN C=CCN(C(=O)CCc1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1 ZINC000409819305 823316333 /nfs/dbraw/zinc/31/63/33/823316333.db2.gz ZCZUWCUAFFFEBM-UHFFFAOYSA-N 0 0 378.881 4.125 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000057637249 823316937 /nfs/dbraw/zinc/31/69/37/823316937.db2.gz RMHSEWKGOWRLGI-UHFFFAOYSA-N 0 0 397.525 4.214 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c1C#N ZINC000012576950 818167646 /nfs/dbraw/zinc/16/76/46/818167646.db2.gz UBPULJCUOGWZDX-UHFFFAOYSA-N 0 0 380.469 4.209 20 30 GIEDRN C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000572307917 823317501 /nfs/dbraw/zinc/31/75/01/823317501.db2.gz DAVHCRXUXVPJSS-OAHLLOKOSA-N 0 0 394.462 4.060 20 30 GIEDRN CC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1Cl ZINC000012737217 818179400 /nfs/dbraw/zinc/17/94/00/818179400.db2.gz ADCUIOSSGNSVRF-UHFFFAOYSA-N 0 0 382.807 4.115 20 30 GIEDRN C=C[C@@H](CC(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000572316919 823318797 /nfs/dbraw/zinc/31/87/97/823318797.db2.gz CYQIQQOQSATFNB-HNNXBMFYSA-N 0 0 380.879 4.144 20 30 GIEDRN Cc1cccc(CCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000012937408 818195760 /nfs/dbraw/zinc/19/57/60/818195760.db2.gz JWKUCDKUTCQTPT-UHFFFAOYSA-N 0 0 396.512 4.312 20 30 GIEDRN CC(C)(C)c1ccc(SCC(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000012960737 818197836 /nfs/dbraw/zinc/19/78/36/818197836.db2.gz MTGQXWPKPWUDDA-UHFFFAOYSA-N 0 0 388.514 4.191 20 30 GIEDRN Cc1ccccc1[C@@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)C1CC1 ZINC000460214216 823319633 /nfs/dbraw/zinc/31/96/33/823319633.db2.gz UPHKFVRLSMDSLJ-QFIPXVFZSA-N 0 0 377.488 4.176 20 30 GIEDRN Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409833547 823320046 /nfs/dbraw/zinc/32/00/46/823320046.db2.gz PQPYZOGWWYOECL-FYYLOGMGSA-N 0 0 384.483 4.461 20 30 GIEDRN C=CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc(C(=O)OCC)cs1 ZINC000409833025 823320117 /nfs/dbraw/zinc/32/01/17/823320117.db2.gz RMFDZDCKXVUTGC-UHFFFAOYSA-N 0 0 385.272 4.459 20 30 GIEDRN C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccs1 ZINC000014062743 818219403 /nfs/dbraw/zinc/21/94/03/818219403.db2.gz PQAWOCHMDRQDOW-UHFFFAOYSA-N 0 0 376.551 4.124 20 30 GIEDRN Cc1cc(NC(=O)c2cc(C#N)cs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000176904530 823320996 /nfs/dbraw/zinc/32/09/96/823320996.db2.gz YNDOYOOGLDICGR-UHFFFAOYSA-N 0 0 376.363 4.385 20 30 GIEDRN Cc1oc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C#N)c1C ZINC000014077896 818221237 /nfs/dbraw/zinc/22/12/37/818221237.db2.gz QSQMTEDZHGFCOJ-UHFFFAOYSA-N 0 0 390.395 4.356 20 30 GIEDRN CC(=O)Nc1ccc(C)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000188876423 823321507 /nfs/dbraw/zinc/32/15/07/823321507.db2.gz UYDJVERSWMXPDB-UHFFFAOYSA-N 0 0 376.441 4.201 20 30 GIEDRN N#Cc1cccc(C=C2NC(=S)N(c3ccc(OC(F)(F)F)cc3)C2=O)c1 ZINC000014178184 818226401 /nfs/dbraw/zinc/22/64/01/818226401.db2.gz KUNLNOLVSZFSDU-OQLLNIDSSA-N 0 0 389.358 4.130 20 30 GIEDRN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3cccc(C#N)c3)C2=O)cc1 ZINC000014178351 818226515 /nfs/dbraw/zinc/22/65/15/818226515.db2.gz IKKQWHINTUBHTN-UCQKPKSFSA-N 0 0 394.430 4.290 20 30 GIEDRN C=CCC(CC=C)C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000176907261 823321648 /nfs/dbraw/zinc/32/16/48/823321648.db2.gz JBCPVALHRNMXAW-OAHLLOKOSA-N 0 0 392.425 4.223 20 30 GIEDRN C=CCC(CC=C)C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000176907243 823321675 /nfs/dbraw/zinc/32/16/75/823321675.db2.gz JBCPVALHRNMXAW-HNNXBMFYSA-N 0 0 392.425 4.223 20 30 GIEDRN C=CCn1c(=S)n(CN2CCC[C@@H]2c2ccccc2)nc1-c1cccnc1 ZINC000014308129 818233439 /nfs/dbraw/zinc/23/34/39/818233439.db2.gz SQNDDMBXKQNWOD-LJQANCHMSA-N 0 0 377.517 4.457 20 30 GIEDRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000572330432 823322199 /nfs/dbraw/zinc/32/21/99/823322199.db2.gz PFMGIMKMJVRSBU-CYBMUJFWSA-N 0 0 396.413 4.326 20 30 GIEDRN Cc1csc(Sc2ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc2[N+](=O)[O-])n1 ZINC000122213581 823322405 /nfs/dbraw/zinc/32/24/05/823322405.db2.gz GGUFXURIJRZBOC-KRWDZBQOSA-N 0 0 390.490 4.179 20 30 GIEDRN Cn1ccnc1COc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000188905923 823326205 /nfs/dbraw/zinc/32/62/05/823326205.db2.gz DHXDISUAOPQIHD-UHFFFAOYSA-N 0 0 399.372 4.008 20 30 GIEDRN COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014923624 818277010 /nfs/dbraw/zinc/27/70/10/818277010.db2.gz FCZSYEPDUAUZEJ-HNNXBMFYSA-N 0 0 397.544 4.356 20 30 GIEDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000122235257 823325445 /nfs/dbraw/zinc/32/54/45/823325445.db2.gz NVKNLOJVYURZHL-INIZCTEOSA-N 0 0 398.470 4.266 20 30 GIEDRN CCOC(=O)c1csc(NC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC000057728528 823325557 /nfs/dbraw/zinc/32/55/57/823325557.db2.gz SSTKJDNMHQCYIS-UHFFFAOYSA-N 0 0 377.425 4.111 20 30 GIEDRN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C#N)nc1)CCO2 ZINC000460237136 823326641 /nfs/dbraw/zinc/32/66/41/823326641.db2.gz UUNAWJRLEKEXFA-QFIPXVFZSA-N 0 0 399.450 4.128 20 30 GIEDRN COc1ccc(CNc2nnc(Sc3ccc(C#N)cc3[N+](=O)[O-])s2)cc1 ZINC000015119090 818292312 /nfs/dbraw/zinc/29/23/12/818292312.db2.gz CZUOPGKWEZZYRR-UHFFFAOYSA-N 0 0 399.457 4.090 20 30 GIEDRN C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1ncnc2sccc21 ZINC000015131712 818293370 /nfs/dbraw/zinc/29/33/70/818293370.db2.gz GNNCGHJIEXPLRE-UHFFFAOYSA-N 0 0 386.889 4.392 20 30 GIEDRN CC(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000572355665 823327033 /nfs/dbraw/zinc/32/70/33/823327033.db2.gz OVCPTIHEZHQDEV-UWJYYQICSA-N 0 0 391.519 4.339 20 30 GIEDRN N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CC2)c1 ZINC000572359331 823327190 /nfs/dbraw/zinc/32/71/90/823327190.db2.gz FABVNYRHHVOTSF-MJGOQNOKSA-N 0 0 399.498 4.449 20 30 GIEDRN N#CCC[C@H](C#N)CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000015247703 818302723 /nfs/dbraw/zinc/30/27/23/818302723.db2.gz WIRFMSIXVNJRMY-OAHLLOKOSA-N 0 0 379.514 4.455 20 30 GIEDRN C=CCOc1ccc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000015282177 818305472 /nfs/dbraw/zinc/30/54/72/818305472.db2.gz TXDKBVKMEAOQRP-LDADJPATSA-N 0 0 384.888 4.163 20 30 GIEDRN C=CCn1c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nnc1-c1ccoc1C ZINC000176932191 823327655 /nfs/dbraw/zinc/32/76/55/823327655.db2.gz AALUKCOLLTWHGZ-UHFFFAOYSA-N 0 0 397.416 4.374 20 30 GIEDRN C=CCC[C@H](NC(=O)c1cc(=O)c(OC)co1)c1ccc(C(F)(F)F)cc1 ZINC000409862019 823329099 /nfs/dbraw/zinc/32/90/99/823329099.db2.gz MAKRWXXBUYIEBH-AWEZNQCLSA-N 0 0 381.350 4.105 20 30 GIEDRN C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000015503644 818331580 /nfs/dbraw/zinc/33/15/80/818331580.db2.gz WNASFHQWPGMCMC-JTSKRJEESA-N 0 0 394.471 4.006 20 30 GIEDRN C=C(C)Cn1c(SCC(=O)N[C@H](C)C2CCCCC2)nnc1-c1ccco1 ZINC000122263619 823329675 /nfs/dbraw/zinc/32/96/75/823329675.db2.gz SBJPQODZSDXGIU-OAHLLOKOSA-N 0 0 388.537 4.291 20 30 GIEDRN COc1cc(CCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1 ZINC000015586945 818343345 /nfs/dbraw/zinc/34/33/45/818343345.db2.gz XOWZYXXHLTUZMI-UHFFFAOYSA-N 0 0 393.468 4.270 20 30 GIEDRN CCOC(=O)c1sc(NC(=O)CSc2cc(C)ccc2C)c(C#N)c1C ZINC000057770571 823329997 /nfs/dbraw/zinc/32/99/97/823329997.db2.gz QDFBJWOGBJTQMA-UHFFFAOYSA-N 0 0 388.514 4.453 20 30 GIEDRN C=CCc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(OC)c1O ZINC000057770897 823330032 /nfs/dbraw/zinc/33/00/32/823330032.db2.gz XFDHGEZSWQMPDP-JOCHJYFZSA-N 0 0 390.439 4.489 20 30 GIEDRN C=CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000015702007 818360438 /nfs/dbraw/zinc/36/04/38/818360438.db2.gz RCLDICWKMLCGGT-CQSZACIVSA-N 0 0 394.858 4.403 20 30 GIEDRN COc1ccc(CNc2cc(-n3cccn3)ccc2C)cc1OCCCC#N ZINC000188937525 823330861 /nfs/dbraw/zinc/33/08/61/823330861.db2.gz ODPAPSBQCMGWEY-UHFFFAOYSA-N 0 0 376.460 4.484 20 30 GIEDRN C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000015706650 818361886 /nfs/dbraw/zinc/36/18/86/818361886.db2.gz CYRXIVIHEDWUFU-SNVBAGLBSA-N 0 0 396.752 4.414 20 30 GIEDRN CC(C)c1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000015812469 818370739 /nfs/dbraw/zinc/37/07/39/818370739.db2.gz OJDIIBGHOZHRMA-UHFFFAOYSA-N 0 0 398.510 4.188 20 30 GIEDRN CCOc1cc(C#N)cc(Br)c1OC(=O)c1cccc(N(C)C)c1 ZINC000016013791 818384688 /nfs/dbraw/zinc/38/46/88/818384688.db2.gz QVZHDWDEHKPBQW-UHFFFAOYSA-N 0 0 389.249 4.005 20 30 GIEDRN CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1cccc(F)c1 ZINC000016013711 818384698 /nfs/dbraw/zinc/38/46/98/818384698.db2.gz SLWFCRJHQKHFEW-UHFFFAOYSA-N 0 0 378.197 4.007 20 30 GIEDRN C=CCc1ccc(OS(=O)(=O)c2ccc(Br)s2)c(OC)c1 ZINC000016087075 818390870 /nfs/dbraw/zinc/39/08/70/818390870.db2.gz WIEGCOHZMOXEBX-UHFFFAOYSA-N 0 0 389.292 4.015 20 30 GIEDRN COc1cc(C#N)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000057794929 823334087 /nfs/dbraw/zinc/33/40/87/823334087.db2.gz MRUXSBOOWXSHHO-UHFFFAOYSA-N 0 0 399.878 4.228 20 30 GIEDRN C=CCc1cc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cc(OC)c1OC ZINC000016171478 818400683 /nfs/dbraw/zinc/40/06/83/818400683.db2.gz PPJBWMIOBIOMJX-UHFFFAOYSA-N 0 0 397.471 4.225 20 30 GIEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000016172008 818400775 /nfs/dbraw/zinc/40/07/75/818400775.db2.gz AERPEQJRBVKZJB-GOSISDBHSA-N 0 0 379.460 4.063 20 30 GIEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCc2ccccc2[C@@H]1C ZINC000572410928 823334465 /nfs/dbraw/zinc/33/44/65/823334465.db2.gz VKTTUZGZUMSFSK-KKSFZXQISA-N 0 0 388.471 4.100 20 30 GIEDRN N#C[C@H](NC(=O)c1csc(C(F)(F)F)n1)c1ccc(Cl)c(Cl)c1 ZINC000188970885 823336112 /nfs/dbraw/zinc/33/61/12/823336112.db2.gz FHWPLZZHLGNIAD-VIFPVBQESA-N 0 0 380.178 4.463 20 30 GIEDRN N#Cc1ccc(OCCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000460271374 823336282 /nfs/dbraw/zinc/33/62/82/823336282.db2.gz YRIBJTBHZWFJDB-CVEARBPZSA-N 0 0 375.255 4.164 20 30 GIEDRN C=CCc1ccc(OCC(=O)N2CCCCC[C@@H]2c2cccn2C)c(OC)c1 ZINC000057816759 823336500 /nfs/dbraw/zinc/33/65/00/823336500.db2.gz ZIOGXTLBMUBKNU-HXUWFJFHSA-N 0 0 382.504 4.285 20 30 GIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000016419054 818440391 /nfs/dbraw/zinc/44/03/91/818440391.db2.gz SWRGFBGAUOLFJY-UHFFFAOYSA-N 0 0 379.479 4.354 20 30 GIEDRN Cc1occc1-c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccccc1 ZINC000057823576 823337934 /nfs/dbraw/zinc/33/79/34/823337934.db2.gz FTBFIWDVQFERLW-UHFFFAOYSA-N 0 0 379.489 4.165 20 30 GIEDRN CN(C(=O)Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1)c1ccccc1 ZINC000176969917 823338146 /nfs/dbraw/zinc/33/81/46/823338146.db2.gz YHLDQKOMBBZGGY-UHFFFAOYSA-N 0 0 375.453 4.078 20 30 GIEDRN N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)n2)c1 ZINC000409895448 823338294 /nfs/dbraw/zinc/33/82/94/823338294.db2.gz KICGFHPABNTRGD-GOSISDBHSA-N 0 0 392.846 4.041 20 30 GIEDRN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000122354754 823342888 /nfs/dbraw/zinc/34/28/88/823342888.db2.gz QEDHRUJPNPBPQW-SFHVURJKSA-N 0 0 383.517 4.378 20 30 GIEDRN C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000016702532 818465914 /nfs/dbraw/zinc/46/59/14/818465914.db2.gz BSNGMEVRVJQHBR-ZDUSSCGKSA-N 0 0 389.835 4.097 20 30 GIEDRN 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398.894 4.088 20 30 GIEDRN N#Cc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000018225161 818557705 /nfs/dbraw/zinc/55/77/05/818557705.db2.gz QINAKIOXWGJADS-UHFFFAOYSA-N 0 0 382.375 4.406 20 30 GIEDRN Cc1nn(-c2ccc(C(=O)OCC(=O)c3ccc(C#N)cc3)cc2)c(C)c1Cl ZINC000018250486 818561380 /nfs/dbraw/zinc/56/13/80/818561380.db2.gz JDCINUZWUVFSSK-UHFFFAOYSA-N 0 0 393.830 4.054 20 30 GIEDRN N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCC[C@H]2CCO)c1 ZINC000189037565 823346100 /nfs/dbraw/zinc/34/61/00/823346100.db2.gz OSBNWYROAKQCEC-IFXJQAMLSA-N 0 0 384.863 4.285 20 30 GIEDRN CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(C)c1C#N)CCC2 ZINC000018457734 818569496 /nfs/dbraw/zinc/56/94/96/818569496.db2.gz LIVWHYUUBGWAHU-AWEZNQCLSA-N 0 0 379.485 4.072 20 30 GIEDRN Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1F ZINC000018611101 818572943 /nfs/dbraw/zinc/57/29/43/818572943.db2.gz UDSJMACRAMMELJ-UHFFFAOYSA-N 0 0 386.448 4.132 20 30 GIEDRN Cc1nc(-c2ccccc2)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000018765395 818576953 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20 30 GIEDRN N#CCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000177614133 823501719 /nfs/dbraw/zinc/50/17/19/823501719.db2.gz VQJAFLRYSJKHGV-UHFFFAOYSA-N 0 0 390.365 4.249 20 30 GIEDRN N#CCCN(CC(F)(F)F)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000177614644 823501766 /nfs/dbraw/zinc/50/17/66/823501766.db2.gz UBJRXRJAYLLTDU-UHFFFAOYSA-N 0 0 398.388 4.457 20 30 GIEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031388835 820802001 /nfs/dbraw/zinc/80/20/01/820802001.db2.gz XLMVUVZRZMKEQY-KDOFPFPSSA-N 0 0 377.469 4.299 20 30 GIEDRN COc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1OCc1cccnc1 ZINC000031410513 820806856 /nfs/dbraw/zinc/80/68/56/820806856.db2.gz UQWFYAXNDABKTQ-UHFFFAOYSA-N 0 0 387.439 4.112 20 30 GIEDRN COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OCc1cscn1 ZINC000031432846 820810631 /nfs/dbraw/zinc/81/06/31/820810631.db2.gz CRBLBQKMSXTBKB-AWEZNQCLSA-N 0 0 393.468 4.093 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCc2ccc(O)cc2C1 ZINC000460767485 823507058 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CCOc1cc(CN(C)C(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000031725991 820852282 /nfs/dbraw/zinc/85/22/82/820852282.db2.gz UNGPMPCESCPEHR-UHFFFAOYSA-N 0 0 375.375 4.222 20 30 GIEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2cnc3ccccc3c2)c1C ZINC000189884793 823509819 /nfs/dbraw/zinc/50/98/19/823509819.db2.gz FMBDCRZGAGXNKK-UHFFFAOYSA-N 0 0 381.439 4.090 20 30 GIEDRN COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000031810054 820863694 /nfs/dbraw/zinc/86/36/94/820863694.db2.gz AORQYCKRWOFCRT-UHFFFAOYSA-N 0 0 386.407 4.176 20 30 GIEDRN COC(=O)c1cc(C)cc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 ZINC000410706523 823510313 /nfs/dbraw/zinc/51/03/13/823510313.db2.gz YPBVRBJXWKGFGR-UHFFFAOYSA-N 0 0 380.488 4.106 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000189889507 823510395 /nfs/dbraw/zinc/51/03/95/823510395.db2.gz DHUOCYSXOQDTPF-UHFFFAOYSA-N 0 0 393.487 4.329 20 30 GIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000460780460 823510446 /nfs/dbraw/zinc/51/04/46/823510446.db2.gz RLLPTLWCCWIVFF-GJZGRUSLSA-N 0 0 379.430 4.392 20 30 GIEDRN COCc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000031876159 820868906 /nfs/dbraw/zinc/86/89/06/820868906.db2.gz DRQQCRJHAUCLKC-UHFFFAOYSA-N 0 0 396.497 4.101 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)Cc1cccc(C)n1 ZINC000460780873 823510677 /nfs/dbraw/zinc/51/06/77/823510677.db2.gz HXKIYUFUWVYMSV-QGZVFWFLSA-N 0 0 395.482 4.473 20 30 GIEDRN N#Cc1cc(NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1Cl ZINC000123470315 823512352 /nfs/dbraw/zinc/51/23/52/823512352.db2.gz NXORLERQNBZZLT-UHFFFAOYSA-N 0 0 395.768 4.284 20 30 GIEDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000031919422 820874934 /nfs/dbraw/zinc/87/49/34/820874934.db2.gz QQDWUHXHTRQRKZ-UHFFFAOYSA-N 0 0 376.416 4.097 20 30 GIEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000189892908 823511001 /nfs/dbraw/zinc/51/10/01/823511001.db2.gz XBKNJYGTMVTBAU-UHFFFAOYSA-N 0 0 392.908 4.006 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000189906433 823512404 /nfs/dbraw/zinc/51/24/04/823512404.db2.gz PJWCHBIRNPOKIV-UHFFFAOYSA-N 0 0 385.489 4.012 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC000460782958 823511250 /nfs/dbraw/zinc/51/12/50/823511250.db2.gz KDDQTAAIGHWGEF-UHFFFAOYSA-N 0 0 392.503 4.104 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCc2sccc2C1 ZINC000460783379 823511445 /nfs/dbraw/zinc/51/14/45/823511445.db2.gz DDQDOCGGTAGGDZ-WMZOPIPTSA-N 0 0 386.565 4.397 20 30 GIEDRN N#Cc1cc(F)ccc1CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000123464565 823511728 /nfs/dbraw/zinc/51/17/28/823511728.db2.gz NJMCGQPOZIRHJG-UHFFFAOYSA-N 0 0 380.404 4.482 20 30 GIEDRN C=CCN(Cc1cccs1)C(=O)NCCc1ccccc1Br ZINC000060219677 823512645 /nfs/dbraw/zinc/51/26/45/823512645.db2.gz VLYAFXAMRMWSLI-UHFFFAOYSA-N 0 0 379.323 4.451 20 30 GIEDRN CCC[C@@H](C#N)N(C)C(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000410831236 823517668 /nfs/dbraw/zinc/51/76/68/823517668.db2.gz YDZPHHGYLVEWCF-LEWJYISDSA-N 0 0 377.488 4.007 20 30 GIEDRN COc1ccc(/C=C2\CN(CC3CC3)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000060241340 823512905 /nfs/dbraw/zinc/51/29/05/823512905.db2.gz BDMLRZDFNMZMTJ-VOKWCDJLSA-N 0 0 389.495 4.466 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000189956722 823517744 /nfs/dbraw/zinc/51/77/44/823517744.db2.gz FLHOHKLYUZKZHD-UHFFFAOYSA-N 0 0 376.298 4.404 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000032238390 820903621 /nfs/dbraw/zinc/90/36/21/820903621.db2.gz WBZYVWLQFPQIBQ-UHFFFAOYSA-N 0 0 375.447 4.329 20 30 GIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC000460794198 823514235 /nfs/dbraw/zinc/51/42/35/823514235.db2.gz WZUVTIULEVCQIT-QHCPKHFHSA-N 0 0 398.551 4.445 20 30 GIEDRN COc1ccc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1F ZINC000032289140 820908549 /nfs/dbraw/zinc/90/85/49/820908549.db2.gz ROWOOEALTJAZKM-UHFFFAOYSA-N 0 0 390.414 4.466 20 30 GIEDRN C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)C1CCC(OC)CC1 ZINC000460794865 823514402 /nfs/dbraw/zinc/51/44/02/823514402.db2.gz PGYJZMWGLJHDSB-UHFFFAOYSA-N 0 0 398.551 4.444 20 30 GIEDRN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000032304717 820910974 /nfs/dbraw/zinc/91/09/74/820910974.db2.gz BYGIQAAMSZZGOK-GOSISDBHSA-N 0 0 386.451 4.221 20 30 GIEDRN C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCCC[C@@H](COC)C1 ZINC000460794898 823514446 /nfs/dbraw/zinc/51/44/46/823514446.db2.gz PPOTVUHJOILQML-HXUWFJFHSA-N 0 0 398.551 4.303 20 30 GIEDRN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000460796755 823514907 /nfs/dbraw/zinc/51/49/07/823514907.db2.gz HSAGJMCCXFUKRO-LBPRGKRZSA-N 0 0 390.285 4.402 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](OCCC)CC1 ZINC000460796899 823515105 /nfs/dbraw/zinc/51/51/05/823515105.db2.gz VSYDIIANWXINOE-FQEVSTJZSA-N 0 0 398.551 4.239 20 30 GIEDRN COc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c(OC)c(C)c1OC ZINC000410810392 823515610 /nfs/dbraw/zinc/51/56/10/823515610.db2.gz MCXFMEKPTVHSTO-UHFFFAOYSA-N 0 0 382.460 4.100 20 30 GIEDRN C=C(C)Cn1c(C)nnc1N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000460799768 823515824 /nfs/dbraw/zinc/51/58/24/823515824.db2.gz PRSBRFYDOPMRSW-INIZCTEOSA-N 0 0 394.519 4.327 20 30 GIEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC(CC)(CC)c2ccccc21 ZINC000460799818 823515848 /nfs/dbraw/zinc/51/58/48/823515848.db2.gz QELKUFQASDKTGO-LJQANCHMSA-N 0 0 382.508 4.152 20 30 GIEDRN Cc1nsc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)c1C#N ZINC000410813186 823515931 /nfs/dbraw/zinc/51/59/31/823515931.db2.gz PCLNUCYBDPPKRZ-UHFFFAOYSA-N 0 0 376.463 4.232 20 30 GIEDRN Cc1nsc(NC(=O)c2cn(-c3ccc(C)cc3)nc2C(C)(C)C)c1C#N ZINC000410813459 823516033 /nfs/dbraw/zinc/51/60/33/823516033.db2.gz QBDVMSVIHOIEKQ-UHFFFAOYSA-N 0 0 379.489 4.367 20 30 GIEDRN Cc1nsc(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1C#N ZINC000410814365 823516096 /nfs/dbraw/zinc/51/60/96/823516096.db2.gz YQJMNZRQJNLCCE-QGZVFWFLSA-N 0 0 398.532 4.014 20 30 GIEDRN C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H](C)CCSC ZINC000460808003 823518139 /nfs/dbraw/zinc/51/81/39/823518139.db2.gz VYOWMXDRGDFONQ-IKGGRYGDSA-N 0 0 380.602 4.351 20 30 GIEDRN C=CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000032457272 820948595 /nfs/dbraw/zinc/94/85/95/820948595.db2.gz SQMQJSYODOQHDC-UHFFFAOYSA-N 0 0 375.453 4.423 20 30 GIEDRN COc1ccc2[nH]c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc2c1 ZINC000189960512 823518159 /nfs/dbraw/zinc/51/81/59/823518159.db2.gz DYJBLBOIIIPOCC-UHFFFAOYSA-N 0 0 388.452 4.348 20 30 GIEDRN N#Cc1cc(NCc2cnc(N3CCOCC3)s2)ccc1Oc1ccccc1 ZINC000189947219 823516839 /nfs/dbraw/zinc/51/68/39/823516839.db2.gz QNPFUWDDJHLJPX-UHFFFAOYSA-N 0 0 392.484 4.256 20 30 GIEDRN N#Cc1ccccc1COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000032478341 820955556 /nfs/dbraw/zinc/95/55/56/820955556.db2.gz SHHKDPUMWABEAD-UHFFFAOYSA-N 0 0 397.478 4.100 20 30 GIEDRN CCC[C@H](C#N)N(C)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000410829958 823517371 /nfs/dbraw/zinc/51/73/71/823517371.db2.gz STSSPFRMQKBSGI-DOTOQJQBSA-N 0 0 385.537 4.159 20 30 GIEDRN CCC[C@@H](C#N)N(C)C(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000410829962 823517385 /nfs/dbraw/zinc/51/73/85/823517385.db2.gz STSSPFRMQKBSGI-RDJZCZTQSA-N 0 0 385.537 4.159 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000032503711 820962203 /nfs/dbraw/zinc/96/22/03/820962203.db2.gz ACPBGICKIOFFHH-UHFFFAOYSA-N 0 0 378.906 4.274 20 30 GIEDRN C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[C@H]21 ZINC000460806426 823517545 /nfs/dbraw/zinc/51/75/45/823517545.db2.gz PGXAQCJVCBFSSQ-QZTJIDSGSA-N 0 0 382.508 4.307 20 30 GIEDRN N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)o3)s2)cc1 ZINC000032531051 820965368 /nfs/dbraw/zinc/96/53/68/820965368.db2.gz AFPLOUQBJFVMKP-UHFFFAOYSA-N 0 0 376.850 4.201 20 30 GIEDRN COc1cc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)ccc1SC ZINC000123532442 823518489 /nfs/dbraw/zinc/51/84/89/823518489.db2.gz LYBVXWFBRRRECH-SOFGYWHQSA-N 0 0 387.476 4.289 20 30 GIEDRN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000460810232 823518734 /nfs/dbraw/zinc/51/87/34/823518734.db2.gz QCHQRQUBYPLACL-YYWHXJBOSA-N 0 0 393.535 4.258 20 30 GIEDRN N#Cc1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000032589408 820973485 /nfs/dbraw/zinc/97/34/85/820973485.db2.gz PPINSWDAGFVZDV-UHFFFAOYSA-N 0 0 393.198 4.267 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000032615315 820977438 /nfs/dbraw/zinc/97/74/38/820977438.db2.gz SHQZHOLKZYOKBZ-UHFFFAOYSA-N 0 0 378.435 4.441 20 30 GIEDRN Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000032617108 820978118 /nfs/dbraw/zinc/97/81/18/820978118.db2.gz ZYIOHESZUQFZQL-UHFFFAOYSA-N 0 0 377.469 4.174 20 30 GIEDRN C=CCC1(C(=O)Nc2cccc(C(=O)NC)c2Br)CCCCC1 ZINC000410860841 823519338 /nfs/dbraw/zinc/51/93/38/823519338.db2.gz KEDRRPSRJDCQKK-UHFFFAOYSA-N 0 0 379.298 4.274 20 30 GIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@](C)(OC)CC1 ZINC000460812699 823519540 /nfs/dbraw/zinc/51/95/40/823519540.db2.gz MZCHJEFENGAYFJ-QHCPKHFHSA-N 0 0 393.535 4.253 20 30 GIEDRN C=CCCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000060364817 823520057 /nfs/dbraw/zinc/52/00/57/823520057.db2.gz FIGHKFVHAWOLST-UHFFFAOYSA-N 0 0 384.242 4.319 20 30 GIEDRN O=C(NCc1ccccc1OCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000177748578 823520226 /nfs/dbraw/zinc/52/02/26/823520226.db2.gz HRPAMUBHVFWUHK-UHFFFAOYSA-N 0 0 381.247 4.114 20 30 GIEDRN CCOc1cc(Br)c(F)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000410878633 823520355 /nfs/dbraw/zinc/52/03/55/823520355.db2.gz HFTCVPBCDDRXRC-KRWDZBQOSA-N 0 0 381.245 4.399 20 30 GIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000460817320 823520740 /nfs/dbraw/zinc/52/07/40/823520740.db2.gz YJNGFSYDMOXXOL-RTWAWAEBSA-N 0 0 391.519 4.005 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)N[C@H](C)CC)C(C)C ZINC000032785386 821008095 /nfs/dbraw/zinc/00/80/95/821008095.db2.gz OEFLSRAHQJIJAY-VQIMIIECSA-N 0 0 386.565 4.086 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000123563207 823521656 /nfs/dbraw/zinc/52/16/56/823521656.db2.gz UKUVWAKDGQHUSN-UHFFFAOYSA-N 0 0 377.271 4.083 20 30 GIEDRN N#Cc1ccc(CSc2nnc(NC(=O)CCc3cccs3)s2)cc1 ZINC000032893363 821017883 /nfs/dbraw/zinc/01/78/83/821017883.db2.gz OPFZBGHNBOAUMS-UHFFFAOYSA-N 0 0 386.527 4.335 20 30 GIEDRN C=CCNC(=O)Nc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1 ZINC000032938701 821020681 /nfs/dbraw/zinc/02/06/81/821020681.db2.gz DJYFINZSDWUYRT-UHFFFAOYSA-N 0 0 392.484 4.294 20 30 GIEDRN Cc1cccc(NC(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000032962834 821022927 /nfs/dbraw/zinc/02/29/27/821022927.db2.gz AZPGQBAWZVXUHB-UHFFFAOYSA-N 0 0 389.480 4.217 20 30 GIEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000032963722 821023074 /nfs/dbraw/zinc/02/30/74/821023074.db2.gz GLRANZPHHNMVSE-UHFFFAOYSA-N 0 0 382.398 4.059 20 30 GIEDRN COc1ccc(CCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c(OC)c1OC ZINC000177764080 823522382 /nfs/dbraw/zinc/52/23/82/823522382.db2.gz KPVWEKYZKRFTBY-CQSZACIVSA-N 0 0 388.489 4.101 20 30 GIEDRN CC(C)(C)c1csc(NC(=O)c2cccc(CN3CCCC3=O)c2)c1C#N ZINC000410926037 823522507 /nfs/dbraw/zinc/52/25/07/823522507.db2.gz HQYRIXJZUGEFEK-UHFFFAOYSA-N 0 0 381.501 4.292 20 30 GIEDRN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000123571210 823522623 /nfs/dbraw/zinc/52/26/23/823522623.db2.gz MQCZSIGWGQBQRW-UHFFFAOYSA-N 0 0 378.403 4.246 20 30 GIEDRN CC(=O)N[C@@H](CC(=O)Nc1scc(C(C)(C)C)c1C#N)c1cccs1 ZINC000410929852 823522997 /nfs/dbraw/zinc/52/29/97/823522997.db2.gz OLNCWMYHLHZWPT-AWEZNQCLSA-N 0 0 375.519 4.185 20 30 GIEDRN N#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000033133264 821036831 /nfs/dbraw/zinc/03/68/31/821036831.db2.gz VWYRIEJAJIBTDU-KRWDZBQOSA-N 0 0 388.254 4.108 20 30 GIEDRN CC[C@H](C#N)NC(=O)c1cc(-c2cccnc2)nc2c(Br)cccc12 ZINC000123575982 823523180 /nfs/dbraw/zinc/52/31/80/823523180.db2.gz BMTPZAPTHONENS-CYBMUJFWSA-N 0 0 395.260 4.091 20 30 GIEDRN Cc1ccnc(Oc2cc(NS(=O)(=O)c3cc(C#N)ccc3C)ccc2C)c1 ZINC000460826334 823523430 /nfs/dbraw/zinc/52/34/30/823523430.db2.gz HDRNXLMMDFTHNG-UHFFFAOYSA-N 0 0 393.468 4.472 20 30 GIEDRN CCCC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)CC1 ZINC000410977786 823527480 /nfs/dbraw/zinc/52/74/80/823527480.db2.gz KWJIQNILSGVUOC-KBPBESRZSA-N 0 0 387.549 4.283 20 30 GIEDRN CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000460848538 823527815 /nfs/dbraw/zinc/52/78/15/823527815.db2.gz KAONGFIECCENPN-BBRMVZONSA-N 0 0 377.414 4.250 20 30 GIEDRN C[C@H]1c2c(C#N)c(NC(=O)c3cnc(-c4cnn(C)c4)s3)sc2CC[C@@H]1C ZINC000410979695 823527832 /nfs/dbraw/zinc/52/78/32/823527832.db2.gz DXCBDVHOSIPPFV-WDEREUQCSA-N 0 0 397.529 4.415 20 30 GIEDRN C[C@@H]1Cc2c(C#N)c(NC(=O)[C@@H]3CCCN3c3nccs3)sc2[C@@H](C)C1 ZINC000410983049 823528352 /nfs/dbraw/zinc/52/83/52/823528352.db2.gz PJBINTIWVSUVHQ-HUBLWGQQSA-N 0 0 386.546 4.370 20 30 GIEDRN C[C@H]1Cc2c(C#N)c(NC(=O)Cn3cnc(-c4ccccc4)n3)sc2[C@@H](C)C1 ZINC000410982615 823528461 /nfs/dbraw/zinc/52/84/61/823528461.db2.gz PAFMSFXZFLIIPI-KGLIPLIRSA-N 0 0 391.500 4.203 20 30 GIEDRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000410984278 823528541 /nfs/dbraw/zinc/52/85/41/823528541.db2.gz QRTOUQNISZIKEH-AHIWAGSCSA-N 0 0 399.516 4.292 20 30 GIEDRN COc1cc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)ccc1[N+](=O)[O-] ZINC000410985721 823529014 /nfs/dbraw/zinc/52/90/14/823529014.db2.gz OBNVTZCQNTUCHG-QWRGUYRKSA-N 0 0 385.445 4.475 20 30 GIEDRN C[C@@H]1CCc2sc(NC(=O)c3csc(-c4cnn(C)c4)n3)c(C#N)c2[C@@H]1C ZINC000410986979 823529277 /nfs/dbraw/zinc/52/92/77/823529277.db2.gz QCMVPORRBDTPST-GHMZBOCLSA-N 0 0 397.529 4.415 20 30 GIEDRN CCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123652193 823529510 /nfs/dbraw/zinc/52/95/10/823529510.db2.gz PGHPTKDNPNZETP-SFHVURJKSA-N 0 0 393.472 4.409 20 30 GIEDRN O=C(c1cccc(Cl)c1)C(C(=S)NCc1ccccc1)[n+]1cccc([O-])c1 ZINC000123653782 823529519 /nfs/dbraw/zinc/52/95/19/823529519.db2.gz GFVXXBPCSTVXGV-UHFFFAOYSA-O 0 0 397.907 4.062 20 30 GIEDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1SC ZINC000410958670 823524621 /nfs/dbraw/zinc/52/46/21/823524621.db2.gz 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387.487 4.044 20 30 GIEDRN Cc1cc(-n2cncn2)ccc1C(=O)Nc1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000410990453 823529797 /nfs/dbraw/zinc/52/97/97/823529797.db2.gz WOTOHAOUHRLUAI-JSGCOSHPSA-N 0 0 391.500 4.447 20 30 GIEDRN CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3CC#N)CC2=O)cc1 ZINC000410974279 823526561 /nfs/dbraw/zinc/52/65/61/823526561.db2.gz XKOHXBOIOUFBJU-AWEZNQCLSA-N 0 0 399.903 4.120 20 30 GIEDRN N#CCc1cc(Cl)ccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000410973819 823526591 /nfs/dbraw/zinc/52/65/91/823526591.db2.gz WYXLHKRGSMDUQK-UHFFFAOYSA-N 0 0 399.922 4.067 20 30 GIEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000039517286 821108810 /nfs/dbraw/zinc/10/88/10/821108810.db2.gz FXWBVECGKSNFPG-HSZRJFAPSA-N 0 0 393.531 4.433 20 30 GIEDRN CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)CC1 ZINC000460844192 823526902 /nfs/dbraw/zinc/52/69/02/823526902.db2.gz CFJLMUBNRWFGEJ-HXUWFJFHSA-N 0 0 381.524 4.258 20 30 GIEDRN Cc1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)c(C)n1-c1nccs1 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CC(C)(C)c1cc(C#N)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)s1 ZINC000411006496 823532012 /nfs/dbraw/zinc/53/20/12/823532012.db2.gz JNCCKRNQHGHNGC-CQSZACIVSA-N 0 0 381.501 4.447 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)c3cccc4c3oc(=O)n4C)c(C#N)c2[C@H](C)C1 ZINC000411007765 823532353 /nfs/dbraw/zinc/53/23/53/823532353.db2.gz HBGZCTBLVPLKOF-GHMZBOCLSA-N 0 0 381.457 4.003 20 30 GIEDRN COCc1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)s1 ZINC000411008442 823532564 /nfs/dbraw/zinc/53/25/64/823532564.db2.gz SOVYAGZKHRVJSU-NSHDSACASA-N 0 0 375.519 4.236 20 30 GIEDRN C=CCN(C(C)C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040446396 821159779 /nfs/dbraw/zinc/15/97/79/821159779.db2.gz GZCFFRNTESILTI-UHFFFAOYSA-N 0 0 387.126 4.341 20 30 GIEDRN CC(=O)Nc1ccc(CC(=O)Nc2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)cc1 ZINC000411010340 823532972 /nfs/dbraw/zinc/53/29/72/823532972.db2.gz KHZXXAPGXGBDMA-QWHCGFSZSA-N 0 0 381.501 4.445 20 30 GIEDRN C[C@H]1Cc2sc(NC(=O)c3c(Br)cnn3C)c(C#N)c2[C@H](C)C1 ZINC000411011756 823533163 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C[C@@H](NC(=O)N[C@@H](CO)C1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460878053 823534737 /nfs/dbraw/zinc/53/47/37/823534737.db2.gz DLSLQYDIXJUATL-ZHRRBRCNSA-N 0 0 377.488 4.137 20 30 GIEDRN C[C@@H]1Cc2sc(NC(=O)c3csc(-c4cnccn4)n3)c(C#N)c2[C@@H](C)C1 ZINC000411022872 823535035 /nfs/dbraw/zinc/53/50/35/823535035.db2.gz XVIKIQIRIBNTBL-QWRGUYRKSA-N 0 0 395.513 4.471 20 30 GIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@H]2CCC[C@H](O)C2)c1 ZINC000123725533 823535060 /nfs/dbraw/zinc/53/50/60/823535060.db2.gz ZEVABXJIAXFUQD-KSSFIOAISA-N 0 0 384.863 4.285 20 30 GIEDRN C[C@H]1Cc2c(C#N)c(NC(=O)c3cn(Cc4cccs4)nn3)sc2[C@H](C)C1 ZINC000410992611 823530350 /nfs/dbraw/zinc/53/03/50/823530350.db2.gz XFHQQFUVKFGDII-VXGBXAGGSA-N 0 0 397.529 4.259 20 30 GIEDRN C=CCn1c(SCCOc2ccc(OCC)cc2)nnc1-c1ccccn1 ZINC000177850336 823536197 /nfs/dbraw/zinc/53/61/97/823536197.db2.gz KZQGLCQRSMMABK-UHFFFAOYSA-N 0 0 382.489 4.096 20 30 GIEDRN CCCn1cnnc1COC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000123788066 823540895 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CC(C)[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000042231432 821289634 /nfs/dbraw/zinc/28/96/34/821289634.db2.gz NVVKUFSKRUFZGW-HXUWFJFHSA-N 0 0 378.501 4.181 20 30 GIEDRN N#Cc1ccc(COC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000042264356 821292426 /nfs/dbraw/zinc/29/24/26/821292426.db2.gz OBQVSSPBUILBII-UHFFFAOYSA-N 0 0 381.819 4.328 20 30 GIEDRN COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000042879409 821341111 /nfs/dbraw/zinc/34/11/11/821341111.db2.gz CKVABLOYKPZLAC-SFHVURJKSA-N 0 0 386.451 4.034 20 30 GIEDRN COc1cccc(CO[C@H](C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000042879413 821341244 /nfs/dbraw/zinc/34/12/44/821341244.db2.gz CKVABLOYKPZLAC-GOSISDBHSA-N 0 0 386.451 4.034 20 30 GIEDRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)cc1 ZINC000042890214 821342280 /nfs/dbraw/zinc/34/22/80/821342280.db2.gz XHRACPKQZDHULO-QGZVFWFLSA-N 0 0 381.435 4.500 20 30 GIEDRN C=CCNc1nnc(S[C@H](C(=O)Nc2cccc3ncccc32)C(C)C)s1 ZINC000042896248 821342645 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CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000180678171 821392477 /nfs/dbraw/zinc/39/24/77/821392477.db2.gz CHICPZAXXCZYGH-KRWDZBQOSA-N 0 0 380.492 4.252 20 30 GIEDRN Cc1c(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)cnn1-c1ccccn1 ZINC000180713806 821412844 /nfs/dbraw/zinc/41/28/44/821412844.db2.gz GHAZALPMTCGHCN-UHFFFAOYSA-N 0 0 393.450 4.044 20 30 GIEDRN N#Cc1cccc(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000180729759 821421679 /nfs/dbraw/zinc/42/16/79/821421679.db2.gz KBAMUMYUPZCIMT-KRWDZBQOSA-N 0 0 375.350 4.182 20 30 GIEDRN CN(CCC#N)c1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 ZINC000180761686 821440225 /nfs/dbraw/zinc/44/02/25/821440225.db2.gz FGVMFMPWEFRCAP-RUZDIDTESA-N 0 0 375.925 4.180 20 30 GIEDRN N#CCc1ccc(OCc2ccccc2NC(=O)CCc2cncc(F)c2)cc1 ZINC000180808937 821470779 /nfs/dbraw/zinc/47/07/79/821470779.db2.gz PTNVPHQOKDIJNU-UHFFFAOYSA-N 0 0 389.430 4.437 20 30 GIEDRN C#CCOc1ccc(F)cc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000180822738 821481636 /nfs/dbraw/zinc/48/16/36/821481636.db2.gz 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C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2-n2nccc2C)cc1 ZINC000184585842 822661783 /nfs/dbraw/zinc/66/17/83/822661783.db2.gz HNJCMSYZRPMEIT-UHFFFAOYSA-N 0 0 390.447 4.132 20 30 GIEDRN C=CCOc1ccccc1C(=O)Nc1cccc(I)c1 ZINC000048439214 822661933 /nfs/dbraw/zinc/66/19/33/822661933.db2.gz HYBLAFYWRSQCIZ-UHFFFAOYSA-N 0 0 379.197 4.108 20 30 GIEDRN Cn1cc(C#N)cc1C(=O)N(c1cc2c(cc1Cl)OCO2)C1CCCCC1 ZINC000180317052 822662345 /nfs/dbraw/zinc/66/23/45/822662345.db2.gz RWYHUNAQDVRSHR-UHFFFAOYSA-N 0 0 385.851 4.258 20 30 GIEDRN Cc1coc(-c2ccc(C)c(NC(=O)Nc3cnn(-c4ncccc4C#N)c3)c2)n1 ZINC000184596599 822663369 /nfs/dbraw/zinc/66/33/69/822663369.db2.gz HZHWGKFMKLCJID-UHFFFAOYSA-N 0 0 399.414 4.055 20 30 GIEDRN Cn1cc(CNc2ccc(-n3cccn3)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180325496 822663590 /nfs/dbraw/zinc/66/35/90/822663590.db2.gz VHTMTUQSHQLJQL-UHFFFAOYSA-N 0 0 388.862 4.410 20 30 GIEDRN CSCC[C@@H](NCc1ccccc1C(C)(C)C#N)c1nnc2ccccn21 ZINC000184601751 822664309 /nfs/dbraw/zinc/66/43/09/822664309.db2.gz 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C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000055570185 822980783 /nfs/dbraw/zinc/98/07/83/822980783.db2.gz JLLNZMMRCUTOIW-FOIQADDNSA-N 0 0 377.444 4.216 20 30 GIEDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000055570184 822980800 /nfs/dbraw/zinc/98/08/00/822980800.db2.gz JLLNZMMRCUTOIW-YWZLYKJASA-N 0 0 377.444 4.216 20 30 GIEDRN N#CCCCOc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000055569822 822980872 /nfs/dbraw/zinc/98/08/72/822980872.db2.gz FJADSUMHRQBFKY-UHFFFAOYSA-N 0 0 386.455 4.296 20 30 GIEDRN N#Cc1ccc(N2CCC(C(=O)N3Cc4ccc(Cl)cc4C3)CC2)c(F)c1 ZINC000458304225 822980857 /nfs/dbraw/zinc/98/08/57/822980857.db2.gz ZOVCAARMLNHBPJ-UHFFFAOYSA-N 0 0 383.854 4.110 20 30 GIEDRN Cn1c2ccccc2nc1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000569893010 822981715 /nfs/dbraw/zinc/98/17/15/822981715.db2.gz YNHIUHFBKIMLNO-OAQYLSRUSA-N 0 0 399.429 4.495 20 30 GIEDRN N#Cc1ccc(N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000569895003 822982112 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Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cccc(C#N)c1 ZINC000055593214 822984189 /nfs/dbraw/zinc/98/41/89/822984189.db2.gz LTJMWFSAVRZENZ-HZPDHXFCSA-N 0 0 375.472 4.237 20 30 GIEDRN C[C@H](c1nc2ccccc2s1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175500087 822984333 /nfs/dbraw/zinc/98/43/33/822984333.db2.gz CABBCAXLGDWXIC-CYBMUJFWSA-N 0 0 375.457 4.411 20 30 GIEDRN CC(C)(CC#N)CNC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000458341075 822985011 /nfs/dbraw/zinc/98/50/11/822985011.db2.gz CXZOLBGIRWJDQS-NRFANRHFSA-N 0 0 377.488 4.340 20 30 GIEDRN N#C[C@H](NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1)c1ccccc1Cl ZINC000186951136 822985608 /nfs/dbraw/zinc/98/56/08/822985608.db2.gz NZEPTYCWXWNQNH-FQEVSTJZSA-N 0 0 390.826 4.271 20 30 GIEDRN CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186953671 822986141 /nfs/dbraw/zinc/98/61/41/822986141.db2.gz RJGDDRKNNKJVGF-UHFFFAOYSA-N 0 0 398.271 4.014 20 30 GIEDRN C=CCC[C@@H](NC(=O)Nc1ccc(N2CCNC2=O)cc1C)c1ccccc1 ZINC000569936663 822987849 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CO[C@@H](C)c1nc(C)c(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)s1 ZINC000175591223 823003245 /nfs/dbraw/zinc/00/32/45/823003245.db2.gz WYFCXDGABPALHA-LBPRGKRZSA-N 0 0 397.422 4.235 20 30 GIEDRN C=CCOc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000055724675 823003374 /nfs/dbraw/zinc/00/33/74/823003374.db2.gz PZWCBDYRNGTKJA-UHFFFAOYSA-N 0 0 392.499 4.061 20 30 GIEDRN CCc1cccc2c(C3CCN(S(=O)(=O)CCC(C)(C)C#N)CC3)c[nH]c21 ZINC000570085246 823004576 /nfs/dbraw/zinc/00/45/76/823004576.db2.gz IHBGWQOCKGNCOR-UHFFFAOYSA-N 0 0 387.549 4.179 20 30 GIEDRN C=CCN(C(=O)c1cc(C)nc2c1cnn2C)c1nc(-c2ccccc2)cs1 ZINC000175601091 823004762 /nfs/dbraw/zinc/00/47/62/823004762.db2.gz CHWLGLLDVGSNAX-UHFFFAOYSA-N 0 0 389.484 4.233 20 30 GIEDRN Cc1cc2occ(CC(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c2cc1C ZINC000570113141 823006888 /nfs/dbraw/zinc/00/68/88/823006888.db2.gz BYWGTVHVQZEJPS-UHFFFAOYSA-N 0 0 390.439 4.310 20 30 GIEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@](C)(O)c1ccco1 ZINC000175617958 823007482 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N#C[C@@H]1N(Cc2cncc(OCc3ccccc3)c2)CCC[C@@]12CCCCO2 ZINC000570155080 823011121 /nfs/dbraw/zinc/01/11/21/823011121.db2.gz PUTYMKVQSASCOO-GOTSBHOMSA-N 0 0 377.488 4.088 20 30 GIEDRN COc1ccc([C@H](C)CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000175643636 823011818 /nfs/dbraw/zinc/01/18/18/823011818.db2.gz XSOLQTBGIUBJNX-QGZVFWFLSA-N 0 0 377.488 4.435 20 30 GIEDRN Cc1cccc(Oc2ccccc2C(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000570185190 823013168 /nfs/dbraw/zinc/01/31/68/823013168.db2.gz DTCFUFJOUDZXPO-UHFFFAOYSA-N 0 0 398.466 4.016 20 30 GIEDRN CCOc1c(Cl)cc(CNC(=O)c2cccc(SCC#N)c2)cc1OC ZINC000175653183 823013242 /nfs/dbraw/zinc/01/32/42/823013242.db2.gz QULIFTCHMVRYPQ-UHFFFAOYSA-N 0 0 390.892 4.293 20 30 GIEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ncc(CC)s2)cc1 ZINC000175655148 823013552 /nfs/dbraw/zinc/01/35/52/823013552.db2.gz CULBNZZDWXPJEC-UHFFFAOYSA-N 0 0 398.532 4.184 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccc(C(=O)N(C)OC)cc1)c1ccc(F)c(F)c1 ZINC000187137494 823016237 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C#CCOc1ccccc1NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000187190092 823022878 /nfs/dbraw/zinc/02/28/78/823022878.db2.gz OGCVHVATEOAMGX-UHFFFAOYSA-N 0 0 383.297 4.154 20 30 GIEDRN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000175703125 823023595 /nfs/dbraw/zinc/02/35/95/823023595.db2.gz YYEXXORMROILQB-NSHDSACASA-N 0 0 387.295 4.326 20 30 GIEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000570302483 823023916 /nfs/dbraw/zinc/02/39/16/823023916.db2.gz LZCSQZSRAZAEHZ-UHFFFAOYSA-N 0 0 392.377 4.491 20 30 GIEDRN N#CCc1ccccc1NC(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000570315536 823024984 /nfs/dbraw/zinc/02/49/84/823024984.db2.gz WEKOLINYWXIEHE-YLJYHZDGSA-N 0 0 381.273 4.358 20 30 GIEDRN C[C@@H](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(F)c1 ZINC000175714951 823025952 /nfs/dbraw/zinc/02/59/52/823025952.db2.gz YFJZVSVHKZLBCR-AWEZNQCLSA-N 0 0 391.364 4.221 20 30 GIEDRN Cc1cc(Cc2noc(COc3ccc(C#N)cc3)n2)ccc1Br ZINC000570323830 823025967 /nfs/dbraw/zinc/02/59/67/823025967.db2.gz RXKACJWDYBGAEK-UHFFFAOYSA-N 0 0 384.233 4.182 20 30 GIEDRN C#CCOc1ccccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000187215996 823026167 /nfs/dbraw/zinc/02/61/67/823026167.db2.gz CZSSWVAJSGMFFR-UHFFFAOYSA-N 0 0 397.434 4.178 20 30 GIEDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)CSCc1ccc(C#N)cc1 ZINC000187220302 823026693 /nfs/dbraw/zinc/02/66/93/823026693.db2.gz MSGHLVQBJDIZID-UHFFFAOYSA-N 0 0 394.475 4.123 20 30 GIEDRN C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](OCC(C)C)C1 ZINC000570339668 823026830 /nfs/dbraw/zinc/02/68/30/823026830.db2.gz JSAUUIMCPSVWPI-IBGZPJMESA-N 0 0 393.535 4.178 20 30 GIEDRN C=C(C)[C@H](NC(=O)Nc1ccc(CNC(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000187227911 823027765 /nfs/dbraw/zinc/02/77/65/823027765.db2.gz JOAJFIKQOFPQMG-SFHVURJKSA-N 0 0 389.402 4.260 20 30 GIEDRN C=C(C)Cn1c(SCC(=O)N(CC)C(CC)CC)nnc1-c1ccco1 ZINC000570364442 823029318 /nfs/dbraw/zinc/02/93/18/823029318.db2.gz YJPHFVJXVRIRSM-UHFFFAOYSA-N 0 0 376.526 4.243 20 30 GIEDRN N#CCSc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 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C=CCn1c(C)nn(CN2CCC(c3nc4cccc(C)c4o3)CC2)c1=S ZINC000188958723 823334432 /nfs/dbraw/zinc/33/44/32/823334432.db2.gz RBXIAQGBKLSJSV-UHFFFAOYSA-N 0 0 383.521 4.195 20 30 GIEDRN C#CC[C@H](OC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccn1 ZINC000122299975 823334609 /nfs/dbraw/zinc/33/46/09/823334609.db2.gz HZRRZRLHBMMGBE-SFHVURJKSA-N 0 0 385.345 4.208 20 30 GIEDRN C[C@H](OC(=O)CCCCOc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000176958877 823334866 /nfs/dbraw/zinc/33/48/66/823334866.db2.gz CADNYGYVCCEKDA-INIZCTEOSA-N 0 0 377.444 4.298 20 30 GIEDRN C=CCNC(=O)[C@@H](C)Sc1nnc(Nc2c(C)cc(C)cc2Cl)s1 ZINC000016328573 818425198 /nfs/dbraw/zinc/42/51/98/818425198.db2.gz ZAZWMABMXDFNEV-LLVKDONJSA-N 0 0 382.942 4.335 20 30 GIEDRN C=C(C)COc1cccc(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1 ZINC000176963249 823335892 /nfs/dbraw/zinc/33/58/92/823335892.db2.gz VYUZRZAIPLFPDH-MRXNPFEDSA-N 0 0 392.459 4.498 20 30 GIEDRN N#C[C@H](NC(=O)c1ncc(Br)s1)c1ccc(Cl)c(Cl)c1 ZINC000188970938 823336034 /nfs/dbraw/zinc/33/60/34/823336034.db2.gz 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CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC000460288738 823341367 /nfs/dbraw/zinc/34/13/67/823341367.db2.gz KMAGTOIIRJNREG-HNNXBMFYSA-N 0 0 379.439 4.085 20 30 GIEDRN CC(C)c1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c2ccccc2n1 ZINC000572452395 823342171 /nfs/dbraw/zinc/34/21/71/823342171.db2.gz PMLHAXWUGZMRJB-FYYLOGMGSA-N 0 0 377.488 4.426 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2Cc3ccccc3O2)n1CC ZINC000460295840 823343565 /nfs/dbraw/zinc/34/35/65/823343565.db2.gz KFEQYUNTFOAGLF-OAQYLSRUSA-N 0 0 385.471 4.038 20 30 GIEDRN Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)sc2cccc(F)c12 ZINC000017843608 818530834 /nfs/dbraw/zinc/53/08/34/818530834.db2.gz IWCHRQBOWPRFNP-UHFFFAOYSA-N 0 0 393.487 4.179 20 30 GIEDRN CC(C)c1cc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c2ccccc2n1 ZINC000018024658 818540216 /nfs/dbraw/zinc/54/02/16/818540216.db2.gz FRNHWNJDIJTLNA-UHFFFAOYSA-N 0 0 393.487 4.200 20 30 GIEDRN N#Cc1ccccc1CSCCNC(=O)COc1c(Cl)cccc1Cl ZINC000018107267 818546409 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Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000177009481 823348521 /nfs/dbraw/zinc/34/85/21/823348521.db2.gz DWLAEALEXLXVAZ-UHFFFAOYSA-N 0 0 392.440 4.103 20 30 GIEDRN C=CCSc1ccccc1NC(=O)CSc1nncn1-c1ccccc1 ZINC000020035800 818611247 /nfs/dbraw/zinc/61/12/47/818611247.db2.gz KDZNQKWZDRUDGL-UHFFFAOYSA-N 0 0 382.514 4.276 20 30 GIEDRN N#C[C@@H](C(=O)c1ccccc1OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cn1 ZINC000122423147 823351888 /nfs/dbraw/zinc/35/18/88/823351888.db2.gz XVKROBHYQLKKTD-GOEBONIOSA-N 0 0 390.361 4.148 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000020166908 818616147 /nfs/dbraw/zinc/61/61/47/818616147.db2.gz QBJVBKOWYPPROL-OAHLLOKOSA-N 0 0 396.491 4.313 20 30 GIEDRN Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C ZINC000020790118 818631441 /nfs/dbraw/zinc/63/14/41/818631441.db2.gz XQYKQXAIBJNSGW-UHFFFAOYSA-N 0 0 382.485 4.301 20 30 GIEDRN N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCC[C@@H]2CCO)c1 ZINC000189077421 823353141 /nfs/dbraw/zinc/35/31/41/823353141.db2.gz ZHUIQLKMPVBZPY-AUUYWEPGSA-N 0 0 384.863 4.285 20 30 GIEDRN N#Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000020868156 818635310 /nfs/dbraw/zinc/63/53/10/818635310.db2.gz WCFBORXOWDSSES-UHFFFAOYSA-N 0 0 394.434 4.428 20 30 GIEDRN C=CCn1c(SCCOCC(F)(F)C(F)F)nnc1-c1ccc(C)cc1 ZINC000189082500 823354623 /nfs/dbraw/zinc/35/46/23/823354623.db2.gz OLOKFAMJCYXEQX-UHFFFAOYSA-N 0 0 389.418 4.449 20 30 GIEDRN N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@@H]2CCO)cc1F ZINC000189058678 823350062 /nfs/dbraw/zinc/35/00/62/823350062.db2.gz LFXYCZMMJFHKAY-KDOFPFPSSA-N 0 0 383.423 4.162 20 30 GIEDRN N#Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)cc1 ZINC000021372408 818681781 /nfs/dbraw/zinc/68/17/81/818681781.db2.gz YNPHMKIYBBKVNG-UHFFFAOYSA-N 0 0 399.406 4.102 20 30 GIEDRN Cc1ccccc1[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1 ZINC000572507884 823351310 /nfs/dbraw/zinc/35/13/10/823351310.db2.gz GIEFMYZWSXEOKB-KRWDZBQOSA-N 0 0 383.373 4.410 20 30 GIEDRN COc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)c1 ZINC000021514445 818698439 /nfs/dbraw/zinc/69/84/39/818698439.db2.gz XRSSEGVRRACZSK-UHFFFAOYSA-N 0 0 381.379 4.020 20 30 GIEDRN CN(C)c1cccnc1CNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000572535559 823356571 /nfs/dbraw/zinc/35/65/71/823356571.db2.gz GTZWGYMAODVZPI-UHFFFAOYSA-N 0 0 388.496 4.100 20 30 GIEDRN N#Cc1c(Br)cccc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000572537218 823356843 /nfs/dbraw/zinc/35/68/43/823356843.db2.gz FJGZOXVZOMFPTC-NSHDSACASA-N 0 0 377.673 4.060 20 30 GIEDRN Cc1cnc([C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C2CC2)s1 ZINC000460334076 823356889 /nfs/dbraw/zinc/35/68/89/823356889.db2.gz ISTJWVTZVPLLHL-KRWDZBQOSA-N 0 0 386.546 4.003 20 30 GIEDRN C=C(C)[C@@H](NC(=O)C[C@@H](c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000572540831 823357442 /nfs/dbraw/zinc/35/74/42/823357442.db2.gz KDEQPHGSETXNLV-BLLLJJGKSA-N 0 0 387.352 4.168 20 30 GIEDRN C=CCC[C@H](C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1ccccc1 ZINC000189098643 823357441 /nfs/dbraw/zinc/35/74/41/823357441.db2.gz ILDMJRVGZNYAQH-NRFANRHFSA-N 0 0 390.483 4.414 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)c3n[nH]nc3-c3ccccc3)c2)c1 ZINC000189099751 823357639 /nfs/dbraw/zinc/35/76/39/823357639.db2.gz PGEMRUOYAZZWSI-UHFFFAOYSA-N 0 0 395.422 4.175 20 30 GIEDRN N#Cc1cccc(OC2CCN(C(=O)c3ccc4ccc(Cl)cc4n3)CC2)c1 ZINC000177045697 823358437 /nfs/dbraw/zinc/35/84/37/823358437.db2.gz MROLPZJVNJKFGQ-UHFFFAOYSA-N 0 0 391.858 4.443 20 30 GIEDRN CC(C)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c(C(C)C)c1 ZINC000189105819 823358636 /nfs/dbraw/zinc/35/86/36/823358636.db2.gz QBSVVACPIZDFPL-UHFFFAOYSA-N 0 0 392.503 4.209 20 30 GIEDRN CC(C)c1ccc([C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)c2cccs2)cc1 ZINC000058069525 823359056 /nfs/dbraw/zinc/35/90/56/823359056.db2.gz SDLZMOHGJPOEEX-VXKWHMMOSA-N 0 0 381.545 4.359 20 30 GIEDRN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000021859898 818748622 /nfs/dbraw/zinc/74/86/22/818748622.db2.gz LKOYQQKBNVYVJB-GFCCVEGCSA-N 0 0 394.452 4.347 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000021969992 818760114 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C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)C1CCC(C(C)C)CC1 ZINC000460371498 823367122 /nfs/dbraw/zinc/36/71/22/823367122.db2.gz VHKPOWSKFHUGHW-UHFFFAOYSA-N 0 0 399.539 4.028 20 30 GIEDRN C=CCn1c(C2CCCC2)nnc1N1CCC2(CC1)OCCc1ccccc12 ZINC000572574631 823363856 /nfs/dbraw/zinc/36/38/56/823363856.db2.gz RDEAOTXVKNCNSF-UHFFFAOYSA-N 0 0 378.520 4.190 20 30 GIEDRN C=CCNc1nnc(S[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000022347034 818795046 /nfs/dbraw/zinc/79/50/46/818795046.db2.gz SAGVOBHMGGIZAO-CQSZACIVSA-N 0 0 376.551 4.054 20 30 GIEDRN CCc1c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cnn1-c1cccc(C)c1 ZINC000409991994 823364961 /nfs/dbraw/zinc/36/49/61/823364961.db2.gz JGUNJPQBRHXKHR-UHFFFAOYSA-N 0 0 396.454 4.053 20 30 GIEDRN C#CCCCCC(=O)Nc1c(Br)cc(F)cc1Br ZINC000122510881 823365193 /nfs/dbraw/zinc/36/51/93/823365193.db2.gz WVKHLBGLIXNICT-UHFFFAOYSA-N 0 0 377.051 4.483 20 30 GIEDRN COc1cc(C(=O)/C=C/c2ccc(OC)c(Br)c2)c(OC)cc1O ZINC000122511960 823365198 /nfs/dbraw/zinc/36/51/98/823365198.db2.gz VNGRAMAYZQFFBI-GQCTYLIASA-N 0 0 393.233 4.077 20 30 GIEDRN COc1cc(C(=O)/C=C/c2cnc3ccc(Br)cn23)ccc1F ZINC000122512059 823365282 /nfs/dbraw/zinc/36/52/82/823365282.db2.gz JEVSJZDLHXPLEJ-GQCTYLIASA-N 0 0 375.197 4.141 20 30 GIEDRN C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022557584 818826754 /nfs/dbraw/zinc/82/67/54/818826754.db2.gz MKAKDUAZTFKEQE-URNNUDQISA-N 0 0 398.528 4.195 20 30 GIEDRN N#C[C@H](NC(=O)COc1ccsc1)c1ccc(OCc2ccccc2)cc1 ZINC000409995683 823366284 /nfs/dbraw/zinc/36/62/84/823366284.db2.gz XKJNCMZPDPACBR-FQEVSTJZSA-N 0 0 378.453 4.087 20 30 GIEDRN C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000460369501 823366514 /nfs/dbraw/zinc/36/65/14/823366514.db2.gz LYIPLSGUBSCAML-MRXNPFEDSA-N 0 0 393.491 4.180 20 30 GIEDRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC(C#N)CC3)sc2C1 ZINC000177083025 823366701 /nfs/dbraw/zinc/36/67/01/823366701.db2.gz CWHVCJUMEVZJJO-INIZCTEOSA-N 0 0 398.576 4.335 20 30 GIEDRN C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC000460370086 823366860 /nfs/dbraw/zinc/36/68/60/823366860.db2.gz OJEJGMFDQKJJTQ-IRXDYDNUSA-N 0 0 381.549 4.187 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccc(OC(F)F)c2)n1C ZINC000572565396 823361911 /nfs/dbraw/zinc/36/19/11/823361911.db2.gz UGMVDWXCSIDMAH-UHFFFAOYSA-N 0 0 395.413 4.148 20 30 GIEDRN C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(CCC#N)CCC(C)C ZINC000460372558 823367653 /nfs/dbraw/zinc/36/76/53/823367653.db2.gz FRHZJEFTTGDARW-UHFFFAOYSA-N 0 0 382.468 4.196 20 30 GIEDRN C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(CCC#N)CCC(C)C ZINC000460372705 823367674 /nfs/dbraw/zinc/36/76/74/823367674.db2.gz CBMUEAULNDJJFH-FQEVSTJZSA-N 0 0 395.507 4.133 20 30 GIEDRN C=CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)c1nc2c(s1)CCCC2 ZINC000058186251 823367692 /nfs/dbraw/zinc/36/76/92/823367692.db2.gz XRPCLQUDEBZNQS-UHFFFAOYSA-N 0 0 380.517 4.441 20 30 GIEDRN COc1ccccc1NC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc([O-])c1 ZINC000022686153 818843787 /nfs/dbraw/zinc/84/37/87/818843787.db2.gz FVMWYBJVNVZDQO-UHFFFAOYSA-O 0 0 399.517 4.109 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC2(CCOCC2)c2ccccc21 ZINC000460372942 823367924 /nfs/dbraw/zinc/36/79/24/823367924.db2.gz CPQDVOLODOWEGL-UHFFFAOYSA-N 0 0 375.476 4.049 20 30 GIEDRN C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCc2sccc2C1 ZINC000460373983 823368166 /nfs/dbraw/zinc/36/81/66/823368166.db2.gz GOTQHTVEAZMGHU-UHFFFAOYSA-N 0 0 396.516 4.066 20 30 GIEDRN COc1ccc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2cccc([O-])c2)cc1 ZINC000022731161 818851950 /nfs/dbraw/zinc/85/19/50/818851950.db2.gz YJQUCPGWPNCYOU-UHFFFAOYSA-O 0 0 393.488 4.048 20 30 GIEDRN Cc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc([O-])c2)cc1 ZINC000022730466 818852067 /nfs/dbraw/zinc/85/20/67/818852067.db2.gz PIPRLILMHSXBKZ-UHFFFAOYSA-O 0 0 381.452 4.178 20 30 GIEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000460374835 823368428 /nfs/dbraw/zinc/36/84/28/823368428.db2.gz JBVOGPSHTOAZTF-KXBFYZLASA-N 0 0 392.507 4.140 20 30 GIEDRN C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 ZINC000460389323 823373108 /nfs/dbraw/zinc/37/31/08/823373108.db2.gz UNMNOBDFHDIGFU-UHFFFAOYSA-N 0 0 393.491 4.114 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1CCc1ccccc1 ZINC000460376741 823368953 /nfs/dbraw/zinc/36/89/53/823368953.db2.gz UXHCDZDLGWIOHC-JOCHJYFZSA-N 0 0 387.531 4.442 20 30 GIEDRN C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc([O-])c1 ZINC000022796499 818862062 /nfs/dbraw/zinc/86/20/62/818862062.db2.gz XXWRGGBTCXXQRS-UHFFFAOYSA-O 0 0 396.319 4.091 20 30 GIEDRN C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C[C@@H](C)OC)C(C)C ZINC000460378137 823369551 /nfs/dbraw/zinc/36/95/51/823369551.db2.gz WIRMTZJCFRAEML-SJORKVTESA-N 0 0 390.503 4.383 20 30 GIEDRN C=CC[C@@H](C(=O)NCCc1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000189170800 823369672 /nfs/dbraw/zinc/36/96/72/823369672.db2.gz MIGNYBGGVJFNRF-QGZVFWFLSA-N 0 0 378.394 4.041 20 30 GIEDRN CC[C@@H](C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1 ZINC000022919681 818877152 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CCC[C@@H](C#N)N(C)C(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000410835198 823517850 /nfs/dbraw/zinc/51/78/50/823517850.db2.gz MWIKXVIPXQNIIS-JTQLQIEISA-N 0 0 379.176 4.112 20 30 GIEDRN N#Cc1cccc(COc2cccc(NC(=O)c3cc(=O)[nH]c4ccccc43)c2)c1 ZINC000032291821 820909164 /nfs/dbraw/zinc/90/91/64/820909164.db2.gz FPCMTZFRBQKVEQ-UHFFFAOYSA-N 0 0 395.418 4.231 20 30 GIEDRN CC(C)c1nnc2n1CCN(C(=O)Nc1cccc(C#Cc3ccccc3)c1)[C@H]2C ZINC000189924495 823514486 /nfs/dbraw/zinc/51/44/86/823514486.db2.gz TWYGPXSCKLAMKZ-SFHVURJKSA-N 0 0 399.498 4.410 20 30 GIEDRN CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC2(CCC2)C[C@@H]1C ZINC000460795560 823514584 /nfs/dbraw/zinc/51/45/84/823514584.db2.gz SBRLGKLKBMLEMX-KRWDZBQOSA-N 0 0 379.508 4.012 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccc2OC)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC000460795547 823514608 /nfs/dbraw/zinc/51/46/08/823514608.db2.gz RZIVULCWLDZREN-QGZVFWFLSA-N 0 0 392.503 4.357 20 30 GIEDRN C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)c1cnn(C)c1 ZINC000460796743 823514934 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COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccncc2)cc1 ZINC000123519471 823516800 /nfs/dbraw/zinc/51/68/00/823516800.db2.gz MJNAHOGBXJAQBA-UHFFFAOYSA-N 0 0 388.427 4.418 20 30 GIEDRN CCC(C)(C)N(CCC#N)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000189951891 823517186 /nfs/dbraw/zinc/51/71/86/823517186.db2.gz IEETUOXMEXSEHZ-UHFFFAOYSA-N 0 0 378.398 4.436 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)Cc2ccccn2)cc1 ZINC000123523630 823517207 /nfs/dbraw/zinc/51/72/07/823517207.db2.gz SWKMSBNYYNAMAU-UHFFFAOYSA-N 0 0 388.427 4.418 20 30 GIEDRN CCC[C@H](C#N)N(C)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000410827767 823517231 /nfs/dbraw/zinc/51/72/31/823517231.db2.gz LXPMRADGELSOFQ-LLVKDONJSA-N 0 0 379.247 4.340 20 30 GIEDRN Cc1cncc(CCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 ZINC000410839599 823518264 /nfs/dbraw/zinc/51/82/64/823518264.db2.gz CZANNZJHOHOERF-UHFFFAOYSA-N 0 0 387.487 4.316 20 30 GIEDRN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000060351484 823518271 /nfs/dbraw/zinc/51/82/71/823518271.db2.gz 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C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(Br)cc1 ZINC000178151219 822334883 /nfs/dbraw/zinc/33/48/83/822334883.db2.gz WDWZIOCWKPILPR-LLVKDONJSA-N 0 0 392.228 4.373 20 30 GIEDRN N#CCOc1cc(F)ccc1NC(=O)NCCCSc1ccc(F)cc1 ZINC000178154313 822335509 /nfs/dbraw/zinc/33/55/09/822335509.db2.gz QLWCALPCGZOGPJ-UHFFFAOYSA-N 0 0 377.416 4.171 20 30 GIEDRN COc1cccc(C2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)c1 ZINC000178157831 822336667 /nfs/dbraw/zinc/33/66/67/822336667.db2.gz DLRIEICVIBICQG-UHFFFAOYSA-N 0 0 383.423 4.148 20 30 GIEDRN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000178167359 822338733 /nfs/dbraw/zinc/33/87/33/822338733.db2.gz YXIJDWZTRYSLKG-IENJSVCTSA-N 0 0 377.513 4.313 20 30 GIEDRN C=CCn1c(SCC(=O)N2CC[C@@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000178175424 822342726 /nfs/dbraw/zinc/34/27/26/822342726.db2.gz APARHMCFJXVYPO-KGLIPLIRSA-N 0 0 390.940 4.134 20 30 GIEDRN N#Cc1cc2c(nc1NC(=O)Cc1csc(-c3cccs3)n1)CCCC2 ZINC000182668513 822344963 /nfs/dbraw/zinc/34/49/63/822344963.db2.gz KVHFHLCFOQZYJH-UHFFFAOYSA-N 0 0 380.498 4.198 20 30 GIEDRN N#CCCN(Cc1ccco1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000178185668 822345903 /nfs/dbraw/zinc/34/59/03/822345903.db2.gz QDNBBXJHBRICND-UHFFFAOYSA-N 0 0 377.404 4.155 20 30 GIEDRN COc1cc(C#N)cc(Cl)c1OCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000178223154 822355743 /nfs/dbraw/zinc/35/57/43/822355743.db2.gz OEQZVTDEVIYBNE-NSHDSACASA-N 0 0 394.805 4.097 20 30 GIEDRN COc1cc(-c2nc(CSc3nnc(C)c(C)c3C#N)cs2)ccc1O ZINC000182707148 822356357 /nfs/dbraw/zinc/35/63/57/822356357.db2.gz PFWNEWOVHADWKR-UHFFFAOYSA-N 0 0 384.486 4.095 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nn(CCN2C[C@@H](C(C)(C)C)CC2=O)c1=S ZINC000182711839 822356799 /nfs/dbraw/zinc/35/67/99/822356799.db2.gz IOKLFSRKCIAYGQ-SFHVURJKSA-N 0 0 398.576 4.085 20 30 GIEDRN Cc1nnc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)c(C#N)c1C ZINC000182715738 822357298 /nfs/dbraw/zinc/35/72/98/822357298.db2.gz RBKIPBDCGIBWGQ-UHFFFAOYSA-N 0 0 379.464 4.071 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N1CCC(Cc2cc(F)cc(F)c2)CC1 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Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000178390741 822374532 /nfs/dbraw/zinc/37/45/32/822374532.db2.gz PGLAVGWAQJEQQF-KRWDZBQOSA-N 0 0 381.863 4.011 20 30 GIEDRN C=CC[C@H]1N(c2nnc([C@H]3CCCO3)n2CCCOCC)CCCC1(C)C ZINC000453478962 822375068 /nfs/dbraw/zinc/37/50/68/822375068.db2.gz NLPVOEAUEHNYBM-QZTJIDSGSA-N 0 0 376.545 4.127 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000178406191 822376068 /nfs/dbraw/zinc/37/60/68/822376068.db2.gz DREMDIHEBRKXNW-NYVOZVTQSA-N 0 0 387.483 4.279 20 30 GIEDRN COc1cc(NC(=O)Nc2ccc(CC#N)cc2)cc(OC)c1Br ZINC000182842171 822376831 /nfs/dbraw/zinc/37/68/31/822376831.db2.gz SDXOYIRWHMDIIC-UHFFFAOYSA-N 0 0 390.237 4.176 20 30 GIEDRN C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cccs1 ZINC000178429534 822378257 /nfs/dbraw/zinc/37/82/57/822378257.db2.gz FROGPZQLCAUSRV-UHFFFAOYSA-N 0 0 388.493 4.453 20 30 GIEDRN Cc1noc(-c2ccccc2C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000182851967 822379025 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CCOc1ccc(C#N)cc1NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000178469855 822382451 /nfs/dbraw/zinc/38/24/51/822382451.db2.gz RQIURMRXRJGJSL-UHFFFAOYSA-N 0 0 378.350 4.079 20 30 GIEDRN C=CCCCCCN(C)c1nnc([C@@]2(C)CCCO2)n1C[C@H]1CCCCO1 ZINC000453524799 822383003 /nfs/dbraw/zinc/38/30/03/822383003.db2.gz UCJXWLDQTRWNPU-WIYYLYMNSA-N 0 0 376.545 4.055 20 30 GIEDRN Cc1cccc([C@@H]2CCCN2C(=O)NCCSCc2ccccc2C#N)n1 ZINC000178483626 822384222 /nfs/dbraw/zinc/38/42/22/822384222.db2.gz DYOJSLGSXYEKET-FQEVSTJZSA-N 0 0 380.517 4.042 20 30 GIEDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1cccc(C#N)c1 ZINC000045406141 822385274 /nfs/dbraw/zinc/38/52/74/822385274.db2.gz WVQQGQGWDKGATN-UHFFFAOYSA-N 0 0 378.863 4.003 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 ZINC000453568833 822385608 /nfs/dbraw/zinc/38/56/08/822385608.db2.gz YDQAEGYLQACHOL-UHFFFAOYSA-N 0 0 379.485 4.097 20 30 GIEDRN CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000453580583 822387926 /nfs/dbraw/zinc/38/79/26/822387926.db2.gz QPCBTHMLTYQZHV-CQSZACIVSA-N 0 0 383.879 4.345 20 30 GIEDRN C=C[C@H](CC(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)c1ccccc1 ZINC000182899007 822388626 /nfs/dbraw/zinc/38/86/26/822388626.db2.gz WMRYVSVKWNXLJH-NVXWUHKLSA-N 0 0 377.410 4.425 20 30 GIEDRN C[C@@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1cccc(Cl)c1 ZINC000453585233 822388840 /nfs/dbraw/zinc/38/88/40/822388840.db2.gz XGIRXSWKJXFEBV-LLVKDONJSA-N 0 0 389.908 4.387 20 30 GIEDRN Cc1c(C#N)cccc1NC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000178540270 822389698 /nfs/dbraw/zinc/38/96/98/822389698.db2.gz APBJWCDSPOMVKY-UHFFFAOYSA-N 0 0 391.258 4.276 20 30 GIEDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](CCC#N)c3ccccc3)ccc21 ZINC000178545372 822390314 /nfs/dbraw/zinc/39/03/14/822390314.db2.gz JXUNTUQMFQUUSH-HXUWFJFHSA-N 0 0 388.471 4.151 20 30 GIEDRN CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045500722 822391245 /nfs/dbraw/zinc/39/12/45/822391245.db2.gz ZZHIYNZBLLFGQX-BTYIYWSLSA-N 0 0 397.906 4.389 20 30 GIEDRN 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C=C(C)Cn1c(CNC(=O)c2ccco2)nnc1N(C)c1cccc(C(C)C)c1 ZINC000460955588 823550252 /nfs/dbraw/zinc/55/02/52/823550252.db2.gz FHSXGGJPHFYYCG-UHFFFAOYSA-N 0 0 393.491 4.269 20 30 GIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCS[C@@H](C)[C@H]1C ZINC000460957404 823550558 /nfs/dbraw/zinc/55/05/58/823550558.db2.gz IMHCJPSGXCIWLV-CVEARBPZSA-N 0 0 379.533 4.400 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)Cn1nc(Cc2csc(C)n2)oc1=S ZINC000123909549 823551075 /nfs/dbraw/zinc/55/10/75/823551075.db2.gz XNWCRBPIYYNRBW-UHFFFAOYSA-N 0 0 399.545 4.303 20 30 GIEDRN C=CC[C@@]1(C(=O)NC[C@@H](C)c2nc(C)cs2)CCCN1C(=O)OC(C)(C)C ZINC000190217192 823551728 /nfs/dbraw/zinc/55/17/28/823551728.db2.gz NSIVHPRDVFYCGG-VLIAUNLRSA-N 0 0 393.553 4.017 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(CCO)C1CC1 ZINC000460964349 823551902 /nfs/dbraw/zinc/55/19/02/823551902.db2.gz SLQMKRFQGZYWTO-QGZVFWFLSA-N 0 0 392.503 4.109 20 30 GIEDRN C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCSC1 ZINC000460965011 823552132 /nfs/dbraw/zinc/55/21/32/823552132.db2.gz XAILWGXYUBGBNY-HNNXBMFYSA-N 0 0 378.929 4.028 20 30 GIEDRN C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC=C(c2cccc(C)c2)CC1 ZINC000460965163 823552147 /nfs/dbraw/zinc/55/21/47/823552147.db2.gz XPYXOPOHBHOQJC-UHFFFAOYSA-N 0 0 385.515 4.442 20 30 GIEDRN C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000460965563 823552155 /nfs/dbraw/zinc/55/21/55/823552155.db2.gz ZYZQDHPATFFLSO-MSOLQXFVSA-N 0 0 381.524 4.009 20 30 GIEDRN C[C@@H]1C[C@@H](C)CN(c2nnc(SCCC(C)(C)C#N)n2Cc2ccco2)C1 ZINC000123928248 823552498 /nfs/dbraw/zinc/55/24/98/823552498.db2.gz YQCXMXSHVXDKEX-HZPDHXFCSA-N 0 0 387.553 4.434 20 30 GIEDRN COCc1cccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000060706436 823553355 /nfs/dbraw/zinc/55/33/55/823553355.db2.gz PLLYPTFAMQYIBM-UHFFFAOYSA-N 0 0 386.451 4.214 20 30 GIEDRN C=C[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)OCC)cs1)c1ccccc1 ZINC000190246488 823555339 /nfs/dbraw/zinc/55/53/39/823555339.db2.gz DIWMSKTULYYTOL-QAPCUYQASA-N 0 0 384.501 4.343 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccccc1OC(F)F ZINC000190247575 823555537 /nfs/dbraw/zinc/55/55/37/823555537.db2.gz GQJXUXQAVICVEK-UHFFFAOYSA-N 0 0 385.414 4.100 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000411194239 823556139 /nfs/dbraw/zinc/55/61/39/823556139.db2.gz PTAJJZLQSYDNFB-FXAWDEMLSA-N 0 0 379.529 4.360 20 30 GIEDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)c(Cl)c1 ZINC000190252622 823556178 /nfs/dbraw/zinc/55/61/78/823556178.db2.gz MFEPCJYCINJZLY-UHFFFAOYSA-N 0 0 380.835 4.032 20 30 GIEDRN Cc1cc(F)c(Br)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000190253119 823556404 /nfs/dbraw/zinc/55/64/04/823556404.db2.gz GORVFXYZCAZYDG-NSHDSACASA-N 0 0 377.213 4.174 20 30 GIEDRN C=CCc1cc(C(=O)Nc2cc(-c3nnco3)ccc2C)cc(OC)c1OC ZINC000060774687 823556556 /nfs/dbraw/zinc/55/65/56/823556556.db2.gz TUPGZCWVAZMAJK-UHFFFAOYSA-N 0 0 379.416 4.043 20 30 GIEDRN C=C(C)CN(CC)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000060791576 823557830 /nfs/dbraw/zinc/55/78/30/823557830.db2.gz 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ZINC000124021391 823560663 /nfs/dbraw/zinc/56/06/63/823560663.db2.gz YMZHBFNDJVHURI-MRXNPFEDSA-N 0 0 396.516 4.392 20 30 GIEDRN C[C@H](CC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000124039073 823562135 /nfs/dbraw/zinc/56/21/35/823562135.db2.gz CNZPSYKLXMJKGP-SJLPKXTDSA-N 0 0 385.508 4.364 20 30 GIEDRN CCCCCCOc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1 ZINC000060851348 823562164 /nfs/dbraw/zinc/56/21/64/823562164.db2.gz OJQFGXHRGNYVKC-LJQANCHMSA-N 0 0 380.492 4.454 20 30 GIEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411301616 823563279 /nfs/dbraw/zinc/56/32/79/823563279.db2.gz SFPQKTPPWZWQQH-MJGOQNOKSA-N 0 0 378.863 4.261 20 30 GIEDRN N#CCCN(CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccco1 ZINC000411307532 823563786 /nfs/dbraw/zinc/56/37/86/823563786.db2.gz MVGKOJSMSQBXFF-QFIPXVFZSA-N 0 0 393.512 4.353 20 30 GIEDRN CC[C@H](C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCCO1 ZINC000461043787 823564559 /nfs/dbraw/zinc/56/45/59/823564559.db2.gz BBGANXBEYNALRS-OXJNMPFZSA-N 0 0 379.508 4.011 20 30 GIEDRN CC(C)CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1)C1CC1 ZINC000461047462 823565271 /nfs/dbraw/zinc/56/52/71/823565271.db2.gz GOHPJGVXFQUGFN-HXUWFJFHSA-N 0 0 379.508 4.011 20 30 GIEDRN N#Cc1c(NC(=O)c2ccc(CN3CCCC3=O)cc2)sc2c1CCCCC2 ZINC000060915442 823566229 /nfs/dbraw/zinc/56/62/29/823566229.db2.gz AVMHGSQQIJLDNF-UHFFFAOYSA-N 0 0 393.512 4.263 20 30 GIEDRN COc1cc(OC)c2ncc(C#N)c(OCc3cncc(C(F)(F)F)c3)c2c1 ZINC000461054565 823566732 /nfs/dbraw/zinc/56/67/32/823566732.db2.gz IKZRYSMBWKPODC-UHFFFAOYSA-N 0 0 389.333 4.116 20 30 GIEDRN COc1ccccc1[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccn1 ZINC000124099061 823567504 /nfs/dbraw/zinc/56/75/04/823567504.db2.gz YZFMOQNQYQSUMI-XMMPIXPASA-N 0 0 386.499 4.319 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccoc2)n1C[C@H]1CCCO1 ZINC000461065610 823568891 /nfs/dbraw/zinc/56/88/91/823568891.db2.gz YYBNCAPCLNNLEC-GOSISDBHSA-N 0 0 382.439 4.049 20 30 GIEDRN C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(Br)c(F)cc1F 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380.513 4.131 20 30 GIEDRN N#Cc1ccc(CSc2ccccc2C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000124168271 823574108 /nfs/dbraw/zinc/57/41/08/823574108.db2.gz XETRLHSPHALGNF-MOPGFXCFSA-N 0 0 380.513 4.131 20 30 GIEDRN C#CC[C@H](OC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)c1ccccn1 ZINC000124210844 823577665 /nfs/dbraw/zinc/57/76/65/823577665.db2.gz CVIYMYMLCBFTNU-INIZCTEOSA-N 0 0 392.333 4.200 20 30 GIEDRN CC[C@@H](C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1)C1CCC(C)CC1 ZINC000461102945 823577908 /nfs/dbraw/zinc/57/79/08/823577908.db2.gz LLMMNJMYLVFTEJ-UQVLAFNGSA-N 0 0 388.508 4.246 20 30 GIEDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000190474966 823579251 /nfs/dbraw/zinc/57/92/51/823579251.db2.gz FMGABROWJOILFL-JOCHJYFZSA-N 0 0 382.508 4.310 20 30 GIEDRN C=CCn1c(-c2cccnc2)nn(CN2CC3(CCCC3)OC(C)(C)C2)c1=S ZINC000190477512 823579478 /nfs/dbraw/zinc/57/94/78/823579478.db2.gz YMSNXJYTQWQVNG-UHFFFAOYSA-N 0 0 399.564 4.043 20 30 GIEDRN CO[C@@](C)(C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c1ccccc1F 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CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000461919872 823754897 /nfs/dbraw/zinc/75/48/97/823754897.db2.gz TTXXKVXSCOPSCB-IAGOWNOFSA-N 0 0 392.503 4.413 20 30 GIEDRN Cc1cc(F)ccc1[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1C ZINC000574525455 823755281 /nfs/dbraw/zinc/75/52/81/823755281.db2.gz XDOORLYCLLFDBE-FQEVSTJZSA-N 0 0 391.450 4.055 20 30 GIEDRN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000191747364 823755681 /nfs/dbraw/zinc/75/56/81/823755681.db2.gz OXYSXEMHPJZKCH-CQSZACIVSA-N 0 0 387.867 4.289 20 30 GIEDRN C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)C(=O)OC(C)(C)C ZINC000413354018 823758251 /nfs/dbraw/zinc/75/82/51/823758251.db2.gz PZOPSTUVZZVSQM-HNNXBMFYSA-N 0 0 380.444 4.054 20 30 GIEDRN CC[C@H](Sc1ccccc1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000413356443 823758790 /nfs/dbraw/zinc/75/87/90/823758790.db2.gz JOFUFHKTAOIOJY-FQEVSTJZSA-N 0 0 382.485 4.275 20 30 GIEDRN C[C@@H](NC(=O)[C@H](C)c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000461930590 823761908 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CCCOc1ccc(Oc2ncccc2CNC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000461938331 823765732 /nfs/dbraw/zinc/76/57/32/823765732.db2.gz CUVXPKXPGQLIIS-OXJNMPFZSA-N 0 0 394.475 4.154 20 30 GIEDRN N#Cc1ccc(Br)c(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000191781818 823766051 /nfs/dbraw/zinc/76/60/51/823766051.db2.gz NCCHAJMWGFNUPH-SFHVURJKSA-N 0 0 393.231 4.172 20 30 GIEDRN COc1cccc([C@H](NC(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc2Cl)c1 ZINC000461939537 823766176 /nfs/dbraw/zinc/76/61/76/823766176.db2.gz GOFDVHFNHDBMMJ-YSSFQJQWSA-N 0 0 383.879 4.429 20 30 GIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000461945747 823767710 /nfs/dbraw/zinc/76/77/10/823767710.db2.gz FAUBIJBZZQHOMX-KCJUWKMLSA-N 0 0 387.075 4.025 20 30 GIEDRN C[C@@H](C(=O)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(C#N)c1 ZINC000461949235 823768635 /nfs/dbraw/zinc/76/86/35/823768635.db2.gz QFIUVRYPMDPNPS-MRXNPFEDSA-N 0 0 390.462 4.282 20 30 GIEDRN N#C[C@H]1CCC[C@@H]1NC(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000461957720 823771620 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C=CCn1c(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)nnc1C1CC1 ZINC000043851692 821471809 /nfs/dbraw/zinc/47/18/09/821471809.db2.gz YGVYHPIMRLEVIL-LJQANCHMSA-N 0 0 396.560 4.438 20 30 GIEDRN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000043883507 821483791 /nfs/dbraw/zinc/48/37/91/821483791.db2.gz KUKXVWLSJTVSIH-VFNWGFHPSA-N 0 0 379.460 4.087 20 30 GIEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000043890292 821484547 /nfs/dbraw/zinc/48/45/47/821484547.db2.gz ZUIZSVVRPFXFTP-UHFFFAOYSA-N 0 0 378.881 4.071 20 30 GIEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N(Cc2ccco2)Cc2cccnc2)c1 ZINC000180841471 821490042 /nfs/dbraw/zinc/49/00/42/821490042.db2.gz YPXLYDPMUDIUEK-UHFFFAOYSA-N 0 0 398.369 4.382 20 30 GIEDRN C#Cc1cccc(NC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000043986058 821498039 /nfs/dbraw/zinc/49/80/39/821498039.db2.gz ADWRSIDDAQWOIE-UHFFFAOYSA-N 0 0 376.243 4.077 20 30 GIEDRN COc1cc(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)ccc1O ZINC000043996217 821499814 /nfs/dbraw/zinc/49/98/14/821499814.db2.gz 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GIEDRN COCCOc1ccc(C(=O)/C=C/c2cn(C)nc2C2CCCCC2)cc1OC ZINC000181433309 821824665 /nfs/dbraw/zinc/82/46/65/821824665.db2.gz HWZDGJMMYKQTAJ-PKNBQFBNSA-N 0 0 398.503 4.398 20 30 GIEDRN N#Cc1c2c(sc1NC(=O)c1cnn(CCC(F)(F)F)c1)CCCCC2 ZINC000181446879 821829889 /nfs/dbraw/zinc/82/98/89/821829889.db2.gz KAMKZNKZEFUJOT-UHFFFAOYSA-N 0 0 382.411 4.290 20 30 GIEDRN COc1cccc(/C=C2\COc3c(cc(F)cc3[N+](=O)[O-])C2=O)c1OC(F)F ZINC000181479711 821844769 /nfs/dbraw/zinc/84/47/69/821844769.db2.gz MWWVJMCMNIWWIR-BJMVGYQFSA-N 0 0 395.289 4.003 20 30 GIEDRN C=CCn1c(S[C@H](C)c2nc(COC)no2)nnc1-c1cccc(Cl)c1 ZINC000181502668 821856757 /nfs/dbraw/zinc/85/67/57/821856757.db2.gz YSYOKPLJLCKPSU-LLVKDONJSA-N 0 0 391.884 4.167 20 30 GIEDRN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1(C#N)CCSCC1 ZINC000181504687 821857287 /nfs/dbraw/zinc/85/72/87/821857287.db2.gz ODMGXAWCABPWFJ-UHFFFAOYSA-N 0 0 396.299 4.476 20 30 GIEDRN N#CC1(c2ccc(C(=O)NCc3cccc(COCC(F)(F)F)c3)cc2)CC1 ZINC000181576451 821886233 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CN(Cc1ccc(C#N)cc1)C(=O)CCc1cc(F)ccc1Br ZINC000181848312 822016303 /nfs/dbraw/zinc/01/63/03/822016303.db2.gz BZGCFNPWJQHMBU-UHFFFAOYSA-N 0 0 375.241 4.051 20 30 GIEDRN Cc1cccc([C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C(C)(C)C)c1 ZINC000181900788 822031073 /nfs/dbraw/zinc/03/10/73/822031073.db2.gz YYBJIOURBJBIFU-OXQOHEQNSA-N 0 0 393.487 4.128 20 30 GIEDRN Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000181902797 822031955 /nfs/dbraw/zinc/03/19/55/822031955.db2.gz YQJBSLKLZHKUTR-CQSZACIVSA-N 0 0 385.537 4.043 20 30 GIEDRN N#Cc1cccc(COc2ccc(NC(=O)Cc3ccncc3)cc2Cl)c1 ZINC000181972809 822049415 /nfs/dbraw/zinc/04/94/15/822049415.db2.gz NROMUDAOYIFJEQ-UHFFFAOYSA-N 0 0 377.831 4.367 20 30 GIEDRN CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1O[C@H](C)C#N)O[C@H](C)C2 ZINC000182027477 822067132 /nfs/dbraw/zinc/06/71/32/822067132.db2.gz OUJHJBVLRAAPPU-UETGSQEOSA-N 0 0 392.455 4.351 20 30 GIEDRN N#Cc1ccc(-c2nnc(COc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000182110545 822098205 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N#Cc1ccccc1Oc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000182307677 822196738 /nfs/dbraw/zinc/19/67/38/822196738.db2.gz VEFVFCBJRSFDMT-UHFFFAOYSA-N 0 0 385.379 4.462 20 30 GIEDRN COc1cc(CCNC(=O)c2ccccc2Oc2ccccc2C#N)ccc1O ZINC000182341933 822208483 /nfs/dbraw/zinc/20/84/83/822208483.db2.gz SYYKMBYHKUXHMS-UHFFFAOYSA-N 0 0 388.423 4.037 20 30 GIEDRN CC(C)N(Cc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccc(C#N)cc1 ZINC000182418232 822235921 /nfs/dbraw/zinc/23/59/21/822235921.db2.gz PJYNRDUCYFQYFQ-UHFFFAOYSA-N 0 0 391.500 4.073 20 30 GIEDRN COc1ccc(-c2nc(C[S@@](=O)CCCC(C)(C)C#N)cs2)c(OC)c1 ZINC000177960899 822258400 /nfs/dbraw/zinc/25/84/00/822258400.db2.gz QYDQGFNCEKLZHN-SANMLTNESA-N 0 0 392.546 4.406 20 30 GIEDRN CC(C)(C#N)CCC[S@](=O)Cc1nc(-c2cccc(Br)c2)no1 ZINC000177974819 822265431 /nfs/dbraw/zinc/26/54/31/822265431.db2.gz BRGHBIWWPFZYPM-QHCPKHFHSA-N 0 0 396.310 4.078 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000182500935 822270127 /nfs/dbraw/zinc/27/01/27/822270127.db2.gz 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C=CCC[C@H](NC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000178452866 822380462 /nfs/dbraw/zinc/38/04/62/822380462.db2.gz YCPGHKSDKAFYEO-HKUYNNGSSA-N 0 0 387.524 4.250 20 30 GIEDRN C=CCC[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000178465342 822381667 /nfs/dbraw/zinc/38/16/67/822381667.db2.gz KWRUOKMFYUVHQS-HXUWFJFHSA-N 0 0 380.488 4.479 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000045404903 822385072 /nfs/dbraw/zinc/38/50/72/822385072.db2.gz CYWFDYJCMLZXFT-UHFFFAOYSA-N 0 0 380.473 4.041 20 30 GIEDRN CCOc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178501001 822385638 /nfs/dbraw/zinc/38/56/38/822385638.db2.gz HSUUJXMLTWHPRR-UHFFFAOYSA-N 0 0 379.294 4.136 20 30 GIEDRN Cc1cc(Br)c(CN2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000453571872 822386189 /nfs/dbraw/zinc/38/61/89/822386189.db2.gz GJOUDYDYFDCLCU-INIZCTEOSA-N 0 0 377.307 4.264 20 30 GIEDRN CCc1ccc(CN(C)C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc1 ZINC000453576655 822387034 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Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000183240234 822446740 /nfs/dbraw/zinc/44/67/40/822446740.db2.gz JVGDZWXKUHTHPO-GOSISDBHSA-N 0 0 387.842 4.111 20 30 GIEDRN CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000183242867 822447356 /nfs/dbraw/zinc/44/73/56/822447356.db2.gz DBZWVMZTGBYGLH-GHTZIAJQSA-N 0 0 391.471 4.344 20 30 GIEDRN CC[C@H](C#N)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000179243817 822456457 /nfs/dbraw/zinc/45/64/57/822456457.db2.gz GVHBWMDEHWHGAO-GOSISDBHSA-N 0 0 378.863 4.284 20 30 GIEDRN C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccc(C#N)cc1 ZINC000454341859 822459977 /nfs/dbraw/zinc/45/99/77/822459977.db2.gz FBFQQIRMGQAOHE-BEFAXECRSA-N 0 0 378.432 4.117 20 30 GIEDRN N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)cc1 ZINC000454349284 822460694 /nfs/dbraw/zinc/46/06/94/822460694.db2.gz XHMICLCGFBNNBR-KRWDZBQOSA-N 0 0 385.265 4.279 20 30 GIEDRN CC(=O)c1sc(NC(=O)Cc2cccc(OCC#N)c2)nc1-c1ccccc1 ZINC000179284222 822460807 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CCOc1ccc(C#N)cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000183388855 822467233 /nfs/dbraw/zinc/46/72/33/822467233.db2.gz YEAKDGDDPHOVCR-UHFFFAOYSA-N 0 0 381.432 4.396 20 30 GIEDRN CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC000454411286 822471282 /nfs/dbraw/zinc/47/12/82/822471282.db2.gz HQMMLSMXTBRUMM-UHFFFAOYSA-N 0 0 377.488 4.248 20 30 GIEDRN Cc1nc(SCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c(C#N)c(C)c1C ZINC000046442334 822473460 /nfs/dbraw/zinc/47/34/60/822473460.db2.gz XHSQCZNCLVOXRZ-UHFFFAOYSA-N 0 0 396.516 4.204 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000179385606 822474845 /nfs/dbraw/zinc/47/48/45/822474845.db2.gz HKFPRSDKLRPVMN-UHFFFAOYSA-N 0 0 381.233 4.067 20 30 GIEDRN CC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC000454469042 822480464 /nfs/dbraw/zinc/48/04/64/822480464.db2.gz QGLFMINVXCRVPU-UHFFFAOYSA-N 0 0 377.488 4.294 20 30 GIEDRN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N(C)Cc1ccc(C#N)cc1 ZINC000046526919 822481074 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822912279 /nfs/dbraw/zinc/91/22/79/822912279.db2.gz MBGJJMIPLBGKJG-UHFFFAOYSA-N 0 0 388.423 4.412 20 30 GIEDRN CCOc1ccc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc1OC ZINC000054803219 822914034 /nfs/dbraw/zinc/91/40/34/822914034.db2.gz DSSDAYNHCFQEQV-VZUCSPMQSA-N 0 0 392.455 4.303 20 30 GIEDRN Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)c(OCc2ccccc2)c1 ZINC000186568185 822914984 /nfs/dbraw/zinc/91/49/84/822914984.db2.gz QYVGLGOVJHPZJZ-UHFFFAOYSA-N 0 0 375.432 4.328 20 30 GIEDRN C[C@H](NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(C#N)cc1 ZINC000054819012 822915501 /nfs/dbraw/zinc/91/55/01/822915501.db2.gz UAJVSFVXCHWRLM-INIZCTEOSA-N 0 0 397.906 4.320 20 30 GIEDRN C=CCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000569393620 822915973 /nfs/dbraw/zinc/91/59/73/822915973.db2.gz KVKKHWYOTMRJBW-UKRRQHHQSA-N 0 0 380.414 4.184 20 30 GIEDRN N#Cc1ccc(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1F ZINC000569396941 822916565 /nfs/dbraw/zinc/91/65/65/822916565.db2.gz UZTQGRANFOOFBG-MRXNPFEDSA-N 0 0 382.222 4.249 20 30 GIEDRN N#CCCN(CC1CC1)c1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000569401013 822917272 /nfs/dbraw/zinc/91/72/72/822917272.db2.gz HADZQIHRWTZTFD-UHFFFAOYSA-N 0 0 375.451 4.263 20 30 GIEDRN Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000457771133 822917255 /nfs/dbraw/zinc/91/72/55/822917255.db2.gz UGNJQMKPHYCQPH-WMZHIEFXSA-N 0 0 398.503 4.018 20 30 GIEDRN Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nnn1-c1ccc(C)cc1 ZINC000175264385 822918819 /nfs/dbraw/zinc/91/88/19/822918819.db2.gz KZZXUKSOGZMZSK-UHFFFAOYSA-N 0 0 385.349 4.027 20 30 GIEDRN CC(=O)N(c1nc(/C=C2/CCc3c(cnn3C)C2=O)cs1)c1ccc(C)cc1 ZINC000054898193 822920632 /nfs/dbraw/zinc/92/06/32/822920632.db2.gz JTNOPVHKAIRTSA-GDNBJRDFSA-N 0 0 392.484 4.082 20 30 GIEDRN N#Cc1ccccc1Sc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)cc1 ZINC000175270783 822920732 /nfs/dbraw/zinc/92/07/32/822920732.db2.gz ZYNDGNZFPYGEQJ-FQEVSTJZSA-N 0 0 392.455 4.312 20 30 GIEDRN Cc1ccc(SCC(F)(F)F)c(NC(=O)Nc2ccn(CCC#N)n2)c1 ZINC000186606208 822922835 /nfs/dbraw/zinc/92/28/35/822922835.db2.gz QXMUCDJWWWAIBF-UHFFFAOYSA-N 0 0 383.399 4.404 20 30 GIEDRN Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000186624699 822925394 /nfs/dbraw/zinc/92/53/94/822925394.db2.gz DKNKLFNXMKZSPK-UHFFFAOYSA-N 0 0 385.452 4.428 20 30 GIEDRN C=CC[C@@H](C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccccc1 ZINC000186650399 822929634 /nfs/dbraw/zinc/92/96/34/822929634.db2.gz XTMZMIYCEHYRAT-LAUBAEHRSA-N 0 0 388.471 4.381 20 30 GIEDRN C=CCC[C@@H](C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)c1ccccc1 ZINC000186660490 822931822 /nfs/dbraw/zinc/93/18/22/822931822.db2.gz SKFZGRWWBYDJAL-JOCHJYFZSA-N 0 0 392.499 4.376 20 30 GIEDRN C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000569509977 822932102 /nfs/dbraw/zinc/93/21/02/822932102.db2.gz IIHMLPWDLXQSIA-OCCSQVGLSA-N 0 0 384.833 4.485 20 30 GIEDRN O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000457911768 822933483 /nfs/dbraw/zinc/93/34/83/822933483.db2.gz ASWFVUSHJWHIQV-LLVKDONJSA-N 0 0 399.306 4.064 20 30 GIEDRN COc1cccc(C(=O)c2ccc(C(=O)N(CCC#N)CC(C)(C)C)cc2)c1 ZINC000186671170 822934170 /nfs/dbraw/zinc/93/41/70/822934170.db2.gz NKKLHUGXNCEYQD-UHFFFAOYSA-N 0 0 378.472 4.328 20 30 GIEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000569538187 822936600 /nfs/dbraw/zinc/93/66/00/822936600.db2.gz VOQBBOXVHKUXDW-WWNPGLIZSA-N 0 0 394.515 4.259 20 30 GIEDRN N#CCCCOc1cccc(N[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c1 ZINC000055147647 822940554 /nfs/dbraw/zinc/94/05/54/822940554.db2.gz IQAANUBEUGJKCA-JOCHJYFZSA-N 0 0 399.450 4.266 20 30 GIEDRN Cc1ccc(CNc2cc(C(F)(F)F)cnc2C#N)c(O[C@@H]2CCOC2)c1 ZINC000569569645 822941116 /nfs/dbraw/zinc/94/11/16/822941116.db2.gz RLMFMVCORBYWJO-OAHLLOKOSA-N 0 0 377.366 4.060 20 30 GIEDRN Cc1ccc(CNc2cc(C(F)(F)F)cnc2C#N)c(O[C@H]2CCOC2)c1 ZINC000569569644 822941134 /nfs/dbraw/zinc/94/11/34/822941134.db2.gz RLMFMVCORBYWJO-HNNXBMFYSA-N 0 0 377.366 4.060 20 30 GIEDRN CC(=O)Nc1c(C)ccc(N[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000055156232 822942217 /nfs/dbraw/zinc/94/22/17/822942217.db2.gz WLZKJXFIVBAIHP-QGZVFWFLSA-N 0 0 378.476 4.009 20 30 GIEDRN N#CCCC[C@H](NC(=O)NC1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000457949245 822942671 /nfs/dbraw/zinc/94/26/71/822942671.db2.gz OEOAVVMZYHWCLL-QFIPXVFZSA-N 0 0 376.504 4.390 20 30 GIEDRN Cc1cc([C@H]2CCCN2Cc2cnc3c(C#N)cnn3c2)ccc1Br ZINC000569605802 822943989 /nfs/dbraw/zinc/94/39/89/822943989.db2.gz UNEAVTYZGJGXFV-GOSISDBHSA-N 0 0 396.292 4.009 20 30 GIEDRN N#CCCC1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000569607719 822944121 /nfs/dbraw/zinc/94/41/21/822944121.db2.gz UJVNKJBOYYALDK-UHFFFAOYSA-N 0 0 377.275 4.335 20 30 GIEDRN N#Cc1ccccc1OCc1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)o1 ZINC000175358054 822945045 /nfs/dbraw/zinc/94/50/45/822945045.db2.gz NNJCSUVENOTENB-GOSISDBHSA-N 0 0 386.407 4.270 20 30 GIEDRN Cc1cc(OCC(=O)c2cn(CCC#N)c3ccccc23)c(F)cc1[N+](=O)[O-] ZINC000186730396 822946494 /nfs/dbraw/zinc/94/64/94/822946494.db2.gz YRQKINCORRIXKQ-UHFFFAOYSA-N 0 0 381.363 4.172 20 30 GIEDRN N#Cc1cccnc1-n1cc(NC(=O)CCCc2cccc(C(F)(F)F)c2)cn1 ZINC000186742420 822948460 /nfs/dbraw/zinc/94/84/60/822948460.db2.gz FCJKVOCHIMGFFT-UHFFFAOYSA-N 0 0 399.376 4.119 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)c1nc(C2CC2)oc1C ZINC000458008184 822949997 /nfs/dbraw/zinc/94/99/97/822949997.db2.gz CHUJDLYPLBCQCA-UHFFFAOYSA-N 0 0 377.238 4.440 20 30 GIEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000458009576 822950013 /nfs/dbraw/zinc/95/00/13/822950013.db2.gz JATGMZDHNNWEDC-IBGZPJMESA-N 0 0 377.875 4.033 20 30 GIEDRN C=CCNC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000175373351 822950346 /nfs/dbraw/zinc/95/03/46/822950346.db2.gz YUYUMDQJGVTMRP-UHFFFAOYSA-N 0 0 396.878 4.101 20 30 GIEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000569652750 822950519 /nfs/dbraw/zinc/95/05/19/822950519.db2.gz FDHFCXQPFACUQR-AUUYWEPGSA-N 0 0 379.451 4.058 20 30 GIEDRN CCC[C@H](CCO)CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000175374129 822950642 /nfs/dbraw/zinc/95/06/42/822950642.db2.gz AKGRPRCBASBYLV-LJQANCHMSA-N 0 0 395.503 4.252 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)CCc1c(C)noc1C ZINC000458040546 822953030 /nfs/dbraw/zinc/95/30/30/822953030.db2.gz RMOWMFYYIWZHRD-UHFFFAOYSA-N 0 0 379.254 4.190 20 30 GIEDRN C=CCOc1ccc(Br)cc1NC(=O)C[C@H](C)n1nc(C)cc1C ZINC000458043335 822953068 /nfs/dbraw/zinc/95/30/68/822953068.db2.gz UXFBDXPPOOOHIQ-AWEZNQCLSA-N 0 0 392.297 4.417 20 30 GIEDRN CCOC(=O)c1ccc(C#N)c(SCc2ccc(F)cc2Br)n1 ZINC000055337150 822953148 /nfs/dbraw/zinc/95/31/48/822953148.db2.gz ZFGXVRXHPJQRQM-UHFFFAOYSA-N 0 0 395.253 4.324 20 30 GIEDRN N#C[C@@H](COC(=O)C1(c2cccc(Cl)c2)CCOCC1)Cc1ccccc1 ZINC000175385305 822954139 /nfs/dbraw/zinc/95/41/39/822954139.db2.gz YHTOONIHHGQPCZ-SFHVURJKSA-N 0 0 383.875 4.314 20 30 GIEDRN N#C[C@H](COC(=O)CCCc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1 ZINC000175385635 822954313 /nfs/dbraw/zinc/95/43/13/822954313.db2.gz JTXSSWUCIWVQEB-QGZVFWFLSA-N 0 0 393.418 4.124 20 30 GIEDRN CN(CCc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055370839 822955301 /nfs/dbraw/zinc/95/53/01/822955301.db2.gz BSAVGJLDKBWNQQ-UHFFFAOYSA-N 0 0 378.403 4.184 20 30 GIEDRN N#C[C@@H](COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)Cc1ccccc1 ZINC000175389467 822956116 /nfs/dbraw/zinc/95/61/16/822956116.db2.gz DKMFLAXDCPUVOL-HWELCPFYSA-N 0 0 396.531 4.167 20 30 GIEDRN CCCN(C(=O)Nc1ccn(CCC#N)n1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000175394487 822957909 /nfs/dbraw/zinc/95/79/09/822957909.db2.gz BCOYXIJPNZKHAG-ROUUACIJSA-N 0 0 387.528 4.169 20 30 GIEDRN C=CCn1c([C@@H]2CCCS2)nnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000569713318 822958162 /nfs/dbraw/zinc/95/81/62/822958162.db2.gz XFDWTHOFOMHVAV-SFHVURJKSA-N 0 0 394.548 4.293 20 30 GIEDRN C[C@@H](Sc1nc2cc(F)cc(Cl)c2o1)C(=O)NC1(C#N)CCCCC1 ZINC000186818279 822960547 /nfs/dbraw/zinc/96/05/47/822960547.db2.gz UKGIDZQKSDUNKQ-SNVBAGLBSA-N 0 0 381.860 4.444 20 30 GIEDRN N#Cc1ccc(CSCC(=O)N2CCC(COc3ccccc3)CC2)cc1 ZINC000055425290 822961025 /nfs/dbraw/zinc/96/10/25/822961025.db2.gz APSVDRZIOCMDLJ-UHFFFAOYSA-N 0 0 380.513 4.109 20 30 GIEDRN Cc1ccccc1C(=O)NCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000055428464 822961817 /nfs/dbraw/zinc/96/18/17/822961817.db2.gz GIUIAPXCGJZZRS-UHFFFAOYSA-N 0 0 385.423 4.028 20 30 GIEDRN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000055428942 822962023 /nfs/dbraw/zinc/96/20/23/822962023.db2.gz ZUDMVZVWCWMUMM-CQSZACIVSA-N 0 0 391.452 4.169 20 30 GIEDRN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccc(C(F)(F)F)nn2)c1 ZINC000186832746 822963647 /nfs/dbraw/zinc/96/36/47/822963647.db2.gz SASURHDQNCHFEZ-UHFFFAOYSA-N 0 0 394.422 4.151 20 30 GIEDRN C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H]1c1ccsc1 ZINC000569769709 822966250 /nfs/dbraw/zinc/96/62/50/822966250.db2.gz KVCHCDIXUWWASG-KRWDZBQOSA-N 0 0 394.500 4.305 20 30 GIEDRN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1Cl ZINC000569785501 822968848 /nfs/dbraw/zinc/96/88/48/822968848.db2.gz XBVYWLHSKQRRCE-XJKSGUPXSA-N 0 0 375.653 4.260 20 30 GIEDRN CCOc1c(Cl)cc(CN2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1OC ZINC000569792822 822970028 /nfs/dbraw/zinc/97/00/28/822970028.db2.gz HZHZIYLUGXFLNR-UYAOXDASSA-N 0 0 378.900 4.175 20 30 GIEDRN C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000175443852 822970381 /nfs/dbraw/zinc/97/03/81/822970381.db2.gz OITHUFOWBYOIEB-GOSISDBHSA-N 0 0 388.471 4.170 20 30 GIEDRN N#Cc1ccc(F)c(CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)c1 ZINC000175449265 822971514 /nfs/dbraw/zinc/97/15/14/822971514.db2.gz BJNPCGGEKQAYQN-UHFFFAOYSA-N 0 0 386.333 4.169 20 30 GIEDRN N#CCCN(C(=O)CCC(=O)NCc1cc2ccccc2s1)c1ccccc1 ZINC000569818561 822972258 /nfs/dbraw/zinc/97/22/58/822972258.db2.gz UGGUKPCXQFIKPN-UHFFFAOYSA-N 0 0 391.496 4.245 20 30 GIEDRN CCS(=O)(=O)c1c(Cl)cccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000186881992 822973858 /nfs/dbraw/zinc/97/38/58/822973858.db2.gz NTGGTFRWTYMWDI-UHFFFAOYSA-N 0 0 388.920 4.170 20 30 GIEDRN N#C[C@]1(NC(=O)c2c[nH]c3cccc(Br)c32)CCc2ccccc2C1 ZINC000186895108 822976109 /nfs/dbraw/zinc/97/61/09/822976109.db2.gz UTZOYUGUURRAKU-FQEVSTJZSA-N 0 0 394.272 4.111 20 30 GIEDRN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(OCCCC#N)c2)C(C)C)cc1 ZINC000055568453 822980549 /nfs/dbraw/zinc/98/05/49/822980549.db2.gz LOMLJJUONIHDSS-NRFANRHFSA-N 0 0 393.487 4.071 20 30 GIEDRN C=CCn1c([C@@H]2CCCCO2)nnc1N1CC=C(c2cccc(OC)c2)CC1 ZINC000569901328 822983136 /nfs/dbraw/zinc/98/31/36/822983136.db2.gz AUNRKRHZKKTJBO-FQEVSTJZSA-N 0 0 380.492 4.008 20 30 GIEDRN N#Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1C(F)(F)F ZINC000569902385 822983560 /nfs/dbraw/zinc/98/35/60/822983560.db2.gz IVBUEKCODMNEJP-WBVHZDCISA-N 0 0 390.365 4.014 20 30 GIEDRN N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(CCC(F)(F)F)cc3)cc2)c1N ZINC000175500999 822984636 /nfs/dbraw/zinc/98/46/36/822984636.db2.gz DCTKNSDEWCLEGL-UHFFFAOYSA-N 0 0 399.376 4.073 20 30 GIEDRN N#CC1(CNC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CCC1 ZINC000569912979 822984856 /nfs/dbraw/zinc/98/48/56/822984856.db2.gz MKEFQUPLLBYIGZ-OAHLLOKOSA-N 0 0 384.480 4.320 20 30 GIEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000175506921 822985810 /nfs/dbraw/zinc/98/58/10/822985810.db2.gz NBBABURFTKTJCU-UHFFFAOYSA-N 0 0 380.398 4.073 20 30 GIEDRN C[C@@H](NC(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569922959 822986013 /nfs/dbraw/zinc/98/60/13/822986013.db2.gz DRLWXUGBUNTLSZ-HVETUWLQSA-N 0 0 375.472 4.107 20 30 GIEDRN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)C2 ZINC000458354569 822986113 /nfs/dbraw/zinc/98/61/13/822986113.db2.gz HKDXRWSJPHTJHR-RTBURBONSA-N 0 0 393.535 4.230 20 30 GIEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C1(c2ccc(OC)cc2)CCC1 ZINC000569951636 822989314 /nfs/dbraw/zinc/98/93/14/822989314.db2.gz IBRGMXKBJNBRNZ-UHFFFAOYSA-N 0 0 381.520 4.499 20 30 GIEDRN CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cc([O-])ccc1F ZINC000186969662 822989612 /nfs/dbraw/zinc/98/96/12/822989612.db2.gz YQXMHOUDQLMFHL-UHFFFAOYSA-O 0 0 389.516 4.153 20 30 GIEDRN N#Cc1c2c(cnc1N1CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC1)CCC2 ZINC000569961861 822990179 /nfs/dbraw/zinc/99/01/79/822990179.db2.gz WOAMOKMPRQWCAV-HXUWFJFHSA-N 0 0 392.890 4.048 20 30 GIEDRN CCCOc1cccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)c1 ZINC000569964492 822990654 /nfs/dbraw/zinc/99/06/54/822990654.db2.gz ROKDSMMPBYXVKF-UHFFFAOYSA-N 0 0 393.447 4.078 20 30 GIEDRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(SCC#N)c2)c1 ZINC000175543256 822994126 /nfs/dbraw/zinc/99/41/26/822994126.db2.gz SLAZODAAQNCYTC-IBGZPJMESA-N 0 0 382.485 4.297 20 30 GIEDRN C=C(C)[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(F)c(F)c1 ZINC000186997860 822994579 /nfs/dbraw/zinc/99/45/79/822994579.db2.gz HCNVFYCLFDHPDS-XOBRGWDASA-N 0 0 397.429 4.223 20 30 GIEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000569996465 822994581 /nfs/dbraw/zinc/99/45/81/822994581.db2.gz NUDRQGSLCJHKPQ-ZDUSSCGKSA-N 0 0 382.407 4.265 20 30 GIEDRN N#Cc1cccc(OCCCn2cnc3cc(-c4ccccc4)sc3c2=O)c1 ZINC000570000877 822995100 /nfs/dbraw/zinc/99/51/00/822995100.db2.gz DVJUPOLIXVVDEM-UHFFFAOYSA-N 0 0 387.464 4.466 20 30 GIEDRN Cc1cccc(OCCCc2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)c1C ZINC000570007538 822995951 /nfs/dbraw/zinc/99/59/51/822995951.db2.gz UYOUPDRMDQXDLK-HXUWFJFHSA-N 0 0 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CCOCCCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000063641449 823685981 /nfs/dbraw/zinc/68/59/81/823685981.db2.gz XXVWBNNIMJFICL-KRWDZBQOSA-N 0 0 381.476 4.002 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000412847390 823686980 /nfs/dbraw/zinc/68/69/80/823686980.db2.gz YGAZDICHBJDZFF-IBGZPJMESA-N 0 0 393.462 4.420 20 30 GIEDRN N#Cc1cccc(-c2nnc(N(CC3CC3)C3CCC3)n2C[C@H]2CCCCO2)c1 ZINC000461720163 823687055 /nfs/dbraw/zinc/68/70/55/823687055.db2.gz AAPYYGVSVDHQBC-OAQYLSRUSA-N 0 0 391.519 4.155 20 30 GIEDRN C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000461719041 823687081 /nfs/dbraw/zinc/68/70/81/823687081.db2.gz ZERISZWCQFTYGQ-MEDUHNTESA-N 0 0 389.297 4.109 20 30 GIEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000125582980 823687337 /nfs/dbraw/zinc/68/73/37/823687337.db2.gz HYLQQGDDGFFQSW-UHFFFAOYSA-N 0 0 383.835 4.110 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000191464357 823687932 /nfs/dbraw/zinc/68/79/32/823687932.db2.gz VCUAPKJUUWRGGT-NRFANRHFSA-N 0 0 396.535 4.250 20 30 GIEDRN C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461725989 823688021 /nfs/dbraw/zinc/68/80/21/823688021.db2.gz KFMNDZUICUSFRV-GOSISDBHSA-N 0 0 385.467 4.067 20 30 GIEDRN COc1ccc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)cc1Br ZINC000461731045 823688698 /nfs/dbraw/zinc/68/86/98/823688698.db2.gz ULGUBTMSAQRLFJ-OLZOCXBDSA-N 0 0 387.277 4.310 20 30 GIEDRN Cc1c(NCc2ccc(N(C)CCC#N)cc2)cccc1C(=O)N1CCCC1 ZINC000125639204 823692470 /nfs/dbraw/zinc/69/24/70/823692470.db2.gz PDHANGINNYVEBM-UHFFFAOYSA-N 0 0 376.504 4.193 20 30 GIEDRN C[C@@H]1C[C@H](C)CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000125650242 823693325 /nfs/dbraw/zinc/69/33/25/823693325.db2.gz JHGFMUUDWUVKII-BETUJISGSA-N 0 0 387.534 4.212 20 30 GIEDRN CC(C)N(Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000063750275 823693302 /nfs/dbraw/zinc/69/33/02/823693302.db2.gz ZSDQIOYGQJVYJK-UHFFFAOYSA-N 0 0 390.512 4.191 20 30 GIEDRN N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000461766725 823693382 /nfs/dbraw/zinc/69/33/82/823693382.db2.gz BPCWZCCCDZWARZ-SUMWQHHRSA-N 0 0 399.903 4.238 20 30 GIEDRN Cc1ccc(Sc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C#N)cc2)c(C)c1 ZINC000461767901 823693515 /nfs/dbraw/zinc/69/35/15/823693515.db2.gz COONJONSGQROEX-APWZRJJASA-N 0 0 393.512 4.202 20 30 GIEDRN Cc1nc(Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)c(Cl)cc1C#N ZINC000461773197 823693859 /nfs/dbraw/zinc/69/38/59/823693859.db2.gz FMHIDYHUFALMDG-CYBMUJFWSA-N 0 0 380.839 4.055 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000191513414 823694046 /nfs/dbraw/zinc/69/40/46/823694046.db2.gz IUDVVIWSVWYTJW-UHFFFAOYSA-N 0 0 378.520 4.283 20 30 GIEDRN Cc1nc(N2CCO[C@H](c3cccc(Br)c3)C2)c(Cl)cc1C#N ZINC000461776186 823694262 /nfs/dbraw/zinc/69/42/62/823694262.db2.gz MHYYYIWNAWHUKX-INIZCTEOSA-N 0 0 392.684 4.256 20 30 GIEDRN N#CCCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2)c2ccccc21 ZINC000412953310 823694859 /nfs/dbraw/zinc/69/48/59/823694859.db2.gz QTJDBJQKLZMDBK-GOSISDBHSA-N 0 0 390.462 4.093 20 30 GIEDRN C=CCn1c(S[C@@H](C)C(=O)c2ccco2)nc2sc3c(c2c1=O)CCC3 ZINC000412981596 823696872 /nfs/dbraw/zinc/69/68/72/823696872.db2.gz WAAADTZJPIEYQV-NSHDSACASA-N 0 0 386.498 4.089 20 30 GIEDRN CCCCCCNC(=O)[C@@H](C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000125689318 823696952 /nfs/dbraw/zinc/69/69/52/823696952.db2.gz XCQWKJAOIGTFSC-SFHVURJKSA-N 0 0 383.517 4.066 20 30 GIEDRN CN(C)S(=O)(=O)c1ccc2oc(SCCC3(C#N)CCCCC3)nc2c1 ZINC000412985961 823697924 /nfs/dbraw/zinc/69/79/24/823697924.db2.gz VCKIJJYPDFKCQV-UHFFFAOYSA-N 0 0 393.534 4.034 20 30 GIEDRN C=CCn1c(SC[C@@H](O)CCC)nnc1-c1ccc(Br)cc1 ZINC000412987910 823698251 /nfs/dbraw/zinc/69/82/51/823698251.db2.gz ZWCRPBZVEPNSBB-AWEZNQCLSA-N 0 0 382.327 4.147 20 30 GIEDRN C=CCN(Cc1ccccc1F)c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1 ZINC000461806358 823698356 /nfs/dbraw/zinc/69/83/56/823698356.db2.gz IKOAMPMGNFLAPP-LJQANCHMSA-N 0 0 396.466 4.439 20 30 GIEDRN CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000412990055 823698385 /nfs/dbraw/zinc/69/83/85/823698385.db2.gz HGYYOQLSHYMZNE-LLVKDONJSA-N 0 0 399.497 4.195 20 30 GIEDRN COc1ccc([C@H](CNC(=O)CSCCC#N)c2c[nH]c3ccccc32)cc1 ZINC000413008835 823699984 /nfs/dbraw/zinc/69/99/84/823699984.db2.gz AHTWCGCQOWOMKP-IBGZPJMESA-N 0 0 393.512 4.071 20 30 GIEDRN CC(C)N(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 ZINC000461815173 823700503 /nfs/dbraw/zinc/70/05/03/823700503.db2.gz ZPXMWIRXHMDYGR-NRFANRHFSA-N 0 0 393.535 4.401 20 30 GIEDRN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ncccc1OCCCC#N ZINC000163320676 823701555 /nfs/dbraw/zinc/70/15/55/823701555.db2.gz GHAVPVNGTZHZFE-UHFFFAOYSA-N 0 0 395.850 4.164 20 30 GIEDRN CC1CCN(c2ccc(CNc3cc(C(F)(F)F)cnc3C#N)cn2)CC1 ZINC000413060300 823702318 /nfs/dbraw/zinc/70/23/18/823702318.db2.gz JLDOFSUUMIZFDQ-UHFFFAOYSA-N 0 0 375.398 4.215 20 30 GIEDRN CC(C)NC(=O)Nc1ccc(CNc2cc(C(F)(F)F)cnc2C#N)cc1 ZINC000413057528 823702332 /nfs/dbraw/zinc/70/23/32/823702332.db2.gz YBKNKTCRDFGWPX-UHFFFAOYSA-N 0 0 377.370 4.114 20 30 GIEDRN Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cc([O-])ccc2C)c1 ZINC000063851683 823702385 /nfs/dbraw/zinc/70/23/85/823702385.db2.gz GDIOMUWTIVJBTH-UHFFFAOYSA-O 0 0 377.489 4.347 20 30 GIEDRN C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000574323035 823702538 /nfs/dbraw/zinc/70/25/38/823702538.db2.gz XEQWQGQZIYSXLC-LBPRGKRZSA-N 0 0 385.459 4.311 20 30 GIEDRN N#CCCCCNC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191574793 823702623 /nfs/dbraw/zinc/70/26/23/823702623.db2.gz TYKXVQHTFZJUSF-UHFFFAOYSA-N 0 0 380.164 4.163 20 30 GIEDRN COc1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cc([O-])ccc2C)cc1 ZINC000063857751 823702819 /nfs/dbraw/zinc/70/28/19/823702819.db2.gz HKCRLTPOPLRYRV-UHFFFAOYSA-O 0 0 393.488 4.048 20 30 GIEDRN C=CCOc1ccc(CNC(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 ZINC000574323454 823702903 /nfs/dbraw/zinc/70/29/03/823702903.db2.gz YZMPEZBIZUYMKP-UHFFFAOYSA-N 0 0 396.472 4.100 20 30 GIEDRN CC[C@H](C)NC(=O)c1cccc(CNc2cc(C(F)(F)F)cnc2C#N)c1 ZINC000413068540 823703051 /nfs/dbraw/zinc/70/30/51/823703051.db2.gz XVRDAQWBFNLMJE-LBPRGKRZSA-N 0 0 376.382 4.112 20 30 GIEDRN C=CCN(Cc1ccccc1)c1nnc([C@@H]2OCC[C@@H]2C)n1C[C@H]1CCCCO1 ZINC000461823063 823703294 /nfs/dbraw/zinc/70/32/94/823703294.db2.gz GHUIAURVLFPZHN-CEWLAPEOSA-N 0 0 396.535 4.137 20 30 GIEDRN CC(C)C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461823651 823703530 /nfs/dbraw/zinc/70/35/30/823703530.db2.gz BIMRHYRCEDPDSW-NHCUHLMSSA-N 0 0 393.535 4.401 20 30 GIEDRN CCCCOc1ccccc1/C=C/C(=O)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000163354446 823703541 /nfs/dbraw/zinc/70/35/41/823703541.db2.gz GSVGORAYRVULJO-ZRDIBKRKSA-N 0 0 388.485 4.174 20 30 GIEDRN C=CCn1c2ccccc2nc1SCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000125748798 823703610 /nfs/dbraw/zinc/70/36/10/823703610.db2.gz PVJCWKXUSGJJFZ-UHFFFAOYSA-N 0 0 393.468 4.154 20 30 GIEDRN N#Cc1ncccc1N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000574329652 823703780 /nfs/dbraw/zinc/70/37/80/823703780.db2.gz GRWSUPQXGPZAOQ-UHFFFAOYSA-N 0 0 375.259 4.115 20 30 GIEDRN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000574333855 823704265 /nfs/dbraw/zinc/70/42/65/823704265.db2.gz AHWUBUFPUSKJMN-LJQANCHMSA-N 0 0 378.369 4.148 20 30 GIEDRN Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(NC(=O)C(F)(F)F)c1 ZINC000063874882 823704357 /nfs/dbraw/zinc/70/43/57/823704357.db2.gz NROXCYPRHFFVAE-CMDGGOBGSA-N 0 0 379.382 4.478 20 30 GIEDRN N#Cc1c(F)cc(CNC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000574337480 823704576 /nfs/dbraw/zinc/70/45/76/823704576.db2.gz IKFDTNCBSXNWRK-UHFFFAOYSA-N 0 0 380.316 4.203 20 30 GIEDRN N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 ZINC000413086513 823704957 /nfs/dbraw/zinc/70/49/57/823704957.db2.gz QEXGDMRTZWRUOD-LSDHHAIUSA-N 0 0 378.325 4.381 20 30 GIEDRN CCN(CC)C(=O)c1ccc(CNc2cc(C(F)(F)F)cnc2C#N)cc1 ZINC000413086649 823705004 /nfs/dbraw/zinc/70/50/04/823705004.db2.gz DMAPTGXHGIXMEX-UHFFFAOYSA-N 0 0 376.382 4.066 20 30 GIEDRN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCCCO1 ZINC000461833074 823706603 /nfs/dbraw/zinc/70/66/03/823706603.db2.gz QGCMUZRXVHMJBX-ZFWWWQNUSA-N 0 0 391.878 4.045 20 30 GIEDRN CSc1nn(-c2ccccc2)c(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1C#N ZINC000125770886 823706661 /nfs/dbraw/zinc/70/66/61/823706661.db2.gz UFDYAADNANHLOG-AWEZNQCLSA-N 0 0 394.475 4.422 20 30 GIEDRN C=CCOc1ccc(CNC(=O)c2cc(F)c(F)cc2Br)cc1 ZINC000574352219 823706823 /nfs/dbraw/zinc/70/68/23/823706823.db2.gz VMKWPWIVHFDFTR-UHFFFAOYSA-N 0 0 382.204 4.222 20 30 GIEDRN N#Cc1ccncc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000574351726 823706920 /nfs/dbraw/zinc/70/69/20/823706920.db2.gz FCFDJIBRCQPMGA-UHFFFAOYSA-N 0 0 399.273 4.015 20 30 GIEDRN N#Cc1cnc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(F)c1 ZINC000413107027 823707918 /nfs/dbraw/zinc/70/79/18/823707918.db2.gz BIINNVRRPPDDGY-AWEZNQCLSA-N 0 0 383.814 4.180 20 30 GIEDRN C=CC[C@H]1N(c2nnc(-c3ccccn3)n2C[C@H]2CCCCO2)CCCC1(C)C ZINC000461836742 823708135 /nfs/dbraw/zinc/70/81/35/823708135.db2.gz VLHHWXOEHMPGGR-UYAOXDASSA-N 0 0 395.551 4.480 20 30 GIEDRN N#CCCSc1ccccc1NC(=O)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000163439718 823709651 /nfs/dbraw/zinc/70/96/51/823709651.db2.gz QCJSMSZPMFOOOP-UHFFFAOYSA-N 0 0 397.500 4.195 20 30 GIEDRN CC1(C)C[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)c2ccccc2O1 ZINC000413119355 823710239 /nfs/dbraw/zinc/71/02/39/823710239.db2.gz NWCOOBYMCKZQTA-IAGOWNOFSA-N 0 0 399.288 4.475 20 30 GIEDRN C=CCOc1ccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)cc1 ZINC000125794618 823711977 /nfs/dbraw/zinc/71/19/77/823711977.db2.gz ITSFQOHQRMBQFP-UHFFFAOYSA-N 0 0 390.468 4.283 20 30 GIEDRN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063926961 823713278 /nfs/dbraw/zinc/71/32/78/823713278.db2.gz JKAFRUKPDCGXGJ-UHFFFAOYSA-N 0 0 381.479 4.393 20 30 GIEDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 ZINC000574379525 823714086 /nfs/dbraw/zinc/71/40/86/823714086.db2.gz QFQKPSMVQUYKON-GHMZBOCLSA-N 0 0 395.488 4.255 20 30 GIEDRN CC[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(C#N)ccc1Br ZINC000191618520 823715026 /nfs/dbraw/zinc/71/50/26/823715026.db2.gz PMVKTQOIVFOQEF-KRWDZBQOSA-N 0 0 378.291 4.387 20 30 GIEDRN N#Cc1c(NC(=O)c2ccc(N3CCOCC3)cc2)sc2c1CCCCCC2 ZINC000063938523 823716115 /nfs/dbraw/zinc/71/61/15/823716115.db2.gz CLPMSFZNFZXBII-UHFFFAOYSA-N 0 0 395.528 4.368 20 30 GIEDRN N#Cc1ccc(Br)c(C[S@](=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000191624201 823717111 /nfs/dbraw/zinc/71/71/11/823717111.db2.gz ZYJDKXOGPGHMGD-QFIPXVFZSA-N 0 0 389.196 4.042 20 30 GIEDRN N#CCC[C@H](C#N)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccco1 ZINC000163526952 823718389 /nfs/dbraw/zinc/71/83/89/823718389.db2.gz KPGWOGVBZWZJGF-CQSZACIVSA-N 0 0 381.436 4.261 20 30 GIEDRN N#CCC[C@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1 ZINC000163549148 823720510 /nfs/dbraw/zinc/72/05/10/823720510.db2.gz UOTHOISIHKIKQX-IBGZPJMESA-N 0 0 386.459 4.058 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000063961170 823722349 /nfs/dbraw/zinc/72/23/49/823722349.db2.gz SSFGAVHXEJSYPD-IOFSEFHDSA-N 0 0 393.531 4.162 20 30 GIEDRN CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461857376 823722920 /nfs/dbraw/zinc/72/29/20/823722920.db2.gz BOCIQVYTXGDJNP-HXUWFJFHSA-N 0 0 379.508 4.012 20 30 GIEDRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(Cl)cc1F ZINC000574433831 823727860 /nfs/dbraw/zinc/72/78/60/823727860.db2.gz FHWRVTBYVRHSHD-UHFFFAOYSA-N 0 0 394.855 4.117 20 30 GIEDRN COc1ccc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)c(C)c1 ZINC000125857798 823730678 /nfs/dbraw/zinc/73/06/78/823730678.db2.gz ADDLEPYJPBYMCG-UHFFFAOYSA-N 0 0 378.457 4.035 20 30 GIEDRN N#Cc1ccc(OCC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1 ZINC000163638772 823730885 /nfs/dbraw/zinc/73/08/85/823730885.db2.gz WTOSBAPMGOZTRG-UHFFFAOYSA-N 0 0 383.451 4.190 20 30 GIEDRN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000574443059 823731892 /nfs/dbraw/zinc/73/18/92/823731892.db2.gz OIHUDKUTSYFZOF-UHFFFAOYSA-N 0 0 391.450 4.472 20 30 GIEDRN CCN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 ZINC000461873517 823732188 /nfs/dbraw/zinc/73/21/88/823732188.db2.gz WDRHPIYDBDACQI-HXUWFJFHSA-N 0 0 379.508 4.012 20 30 GIEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 ZINC000574444998 823732418 /nfs/dbraw/zinc/73/24/18/823732418.db2.gz LIOCDCJXRXMIHD-KXBFYZLASA-N 0 0 385.895 4.032 20 30 GIEDRN CN(CC(=O)Nc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000125871027 823733481 /nfs/dbraw/zinc/73/34/81/823733481.db2.gz JYPBLNUSCOBIGZ-UHFFFAOYSA-N 0 0 383.451 4.189 20 30 GIEDRN CCc1cc(C(=O)Nc2c(C#N)c(SC)nn2-c2ccccc2)oc1CC ZINC000125868721 823733570 /nfs/dbraw/zinc/73/35/70/823733570.db2.gz RYHNYINWSPHTGD-UHFFFAOYSA-N 0 0 380.473 4.436 20 30 GIEDRN CC(C)NC(=O)Nc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000191690078 823735114 /nfs/dbraw/zinc/73/51/14/823735114.db2.gz BTVCKHCQZCUGGK-UHFFFAOYSA-N 0 0 389.377 4.226 20 30 GIEDRN C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1cccs1 ZINC000574457162 823735184 /nfs/dbraw/zinc/73/51/84/823735184.db2.gz RRQQAHVOQOOAFV-GOSISDBHSA-N 0 0 391.500 4.318 20 30 GIEDRN 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C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(OCc2cccnc2)cc1 ZINC000569194168 822891437 /nfs/dbraw/zinc/89/14/37/822891437.db2.gz WNEXEVNDAQDJGG-SBUREZEXSA-N 0 0 375.472 4.312 20 30 GIEDRN CCOc1ccc([C@@H](NC(=O)N(C)CC(C)(C)C#N)C(C)C)cc1OCC ZINC000457562573 822891565 /nfs/dbraw/zinc/89/15/65/822891565.db2.gz CHGUGLJAIWQBSO-IBGZPJMESA-N 0 0 375.513 4.372 20 30 GIEDRN CCCN(Cc1ccc(C#N)cc1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000054515909 822892279 /nfs/dbraw/zinc/89/22/79/822892279.db2.gz IVQIYWQHAFVILT-UHFFFAOYSA-N 0 0 395.507 4.499 20 30 GIEDRN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000569202738 822892414 /nfs/dbraw/zinc/89/24/14/822892414.db2.gz UJJCMZJKYYRMPB-BHDDXSALSA-N 0 0 393.462 4.294 20 30 GIEDRN COc1ccc(CCCN(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1 ZINC000054538384 822894168 /nfs/dbraw/zinc/89/41/68/822894168.db2.gz JLNYORBURKVLAM-UHFFFAOYSA-N 0 0 381.476 4.451 20 30 GIEDRN N#Cc1cccc(-c2cc(C(=O)Nc3cccc(OCc4ccccn4)c3)on2)c1 ZINC000569223977 822894423 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C=C(C)CN(Cc1ccccc1)c1nnc(-c2cccc(OC)c2OC)n1C ZINC000569292698 822902733 /nfs/dbraw/zinc/90/27/33/822902733.db2.gz XPXLNIWBLDHNLY-UHFFFAOYSA-N 0 0 378.476 4.082 20 30 GIEDRN Cc1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)no1 ZINC000175202152 822903400 /nfs/dbraw/zinc/90/34/00/822903400.db2.gz JFJUQWHKLUKUKY-INIZCTEOSA-N 0 0 381.823 4.009 20 30 GIEDRN N#C[C@@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1 ZINC000569325820 822907728 /nfs/dbraw/zinc/90/77/28/822907728.db2.gz COTXRXYSIBQHLY-LJQANCHMSA-N 0 0 386.854 4.199 20 30 GIEDRN N#C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1 ZINC000569325817 822907895 /nfs/dbraw/zinc/90/78/95/822907895.db2.gz COTXRXYSIBQHLY-IBGZPJMESA-N 0 0 386.854 4.199 20 30 GIEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC000569327814 822908060 /nfs/dbraw/zinc/90/80/60/822908060.db2.gz JZMSGNWRVPCJOI-ICSRJNTNSA-N 0 0 384.524 4.146 20 30 GIEDRN COc1ccc(Br)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000054758754 822910617 /nfs/dbraw/zinc/91/06/17/822910617.db2.gz 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CCOC[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000458068445 822955090 /nfs/dbraw/zinc/95/50/90/822955090.db2.gz DZYYYASDJHFYIP-OAQYLSRUSA-N 0 0 378.472 4.168 20 30 GIEDRN CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000186788855 822955698 /nfs/dbraw/zinc/95/56/98/822955698.db2.gz KGIZPCQDWFDMHR-INIZCTEOSA-N 0 0 376.243 4.255 20 30 GIEDRN CC(C)(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)Cc1ccc(Cl)cc1 ZINC000186792738 822956218 /nfs/dbraw/zinc/95/62/18/822956218.db2.gz QHRFDTWKVBBWFX-UHFFFAOYSA-N 0 0 393.878 4.390 20 30 GIEDRN N#C[C@@H](COC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)Cc1ccccc1 ZINC000175391570 822956564 /nfs/dbraw/zinc/95/65/64/822956564.db2.gz WFFXNIFNLOZGBL-INIZCTEOSA-N 0 0 396.393 4.478 20 30 GIEDRN Cc1cc(Cc2cnc(NC(=O)C(C)(C)C#N)s2)ccc1Br ZINC000055390956 822956794 /nfs/dbraw/zinc/95/67/94/822956794.db2.gz NWJQJNOVFXFSRN-UHFFFAOYSA-N 0 0 378.295 4.293 20 30 GIEDRN C[C@H](Sc1nc2cc(F)cc(Cl)c2o1)C(=O)NC1(C#N)CCCCC1 ZINC000186818260 822960513 /nfs/dbraw/zinc/96/05/13/822960513.db2.gz 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C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCSC1 ZINC000460954979 823550057 /nfs/dbraw/zinc/55/00/57/823550057.db2.gz YXTZUZYYEDNWFV-ZDUSSCGKSA-N 0 0 393.354 4.225 20 30 GIEDRN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(Cc1cccs1)C[C@H]1CCCO1 ZINC000460955153 823550079 /nfs/dbraw/zinc/55/00/79/823550079.db2.gz BJMQFNPRWINGEE-MRXNPFEDSA-N 0 0 383.521 4.096 20 30 GIEDRN C=C(C)Cn1c(CCc2ccco2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC000460955858 823550195 /nfs/dbraw/zinc/55/01/95/823550195.db2.gz JHOBNIHMTHVXRK-UHFFFAOYSA-N 0 0 387.487 4.273 20 30 GIEDRN C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H](C)c1cc(C)ccc1C ZINC000460956008 823550214 /nfs/dbraw/zinc/55/02/14/823550214.db2.gz ZXOXKAOVKVSQCQ-RTBURBONSA-N 0 0 386.540 4.392 20 30 GIEDRN C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(CC)C[C@@H]1CCCO1 ZINC000460956281 823550221 /nfs/dbraw/zinc/55/02/21/823550221.db2.gz FFIKRMLIHHKHFW-SFHVURJKSA-N 0 0 377.492 4.075 20 30 GIEDRN C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 ZINC000460956689 823550280 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C=CCN(Cc1cccs1)C(=O)c1ccc(I)cc1 ZINC000060677769 823552170 /nfs/dbraw/zinc/55/21/70/823552170.db2.gz HCFOQSBTQCVJGW-UHFFFAOYSA-N 0 0 383.254 4.181 20 30 GIEDRN C=CC[C@]1(C(=O)NC[C@@H](C)c2ncc(C)s2)CCCN1C(=O)OC(C)(C)C ZINC000190229242 823552983 /nfs/dbraw/zinc/55/29/83/823552983.db2.gz VNDWSBGXELRVAU-JLTOFOAXSA-N 0 0 393.553 4.017 20 30 GIEDRN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c(C)c1 ZINC000123936108 823553160 /nfs/dbraw/zinc/55/31/60/823553160.db2.gz AGXZEALVLXBRQG-CYBMUJFWSA-N 0 0 385.464 4.474 20 30 GIEDRN C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000123937031 823553319 /nfs/dbraw/zinc/55/33/19/823553319.db2.gz BBKRJQQEUCRVII-GFCCVEGCSA-N 0 0 382.851 4.443 20 30 GIEDRN C#Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)c1 ZINC000123940614 823553643 /nfs/dbraw/zinc/55/36/43/823553643.db2.gz LGWGZQBVEOUQSK-AQTBWJFISA-N 0 0 391.521 4.069 20 30 GIEDRN C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000411178368 823554848 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CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1 ZINC000461018309 823559897 /nfs/dbraw/zinc/55/98/97/823559897.db2.gz VTZAKNIINOKBMV-RBUKOAKNSA-N 0 0 383.442 4.115 20 30 GIEDRN C=CCn1c(SCCCOc2cc(C)ccc2C)nnc1-c1cnccn1 ZINC000124022188 823560838 /nfs/dbraw/zinc/56/08/38/823560838.db2.gz GFLGDEXMXOFURX-UHFFFAOYSA-N 0 0 381.505 4.099 20 30 GIEDRN CC(=O)c1cc(F)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124035249 823561773 /nfs/dbraw/zinc/56/17/73/823561773.db2.gz RKUSZDGATQXIJC-UHFFFAOYSA-N 0 0 386.448 4.248 20 30 GIEDRN CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000190324000 823562823 /nfs/dbraw/zinc/56/28/23/823562823.db2.gz BGQXVAREBHDVDN-UHFFFAOYSA-N 0 0 395.459 4.135 20 30 GIEDRN N#Cc1ccc(CN2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)o1 ZINC000124047733 823562935 /nfs/dbraw/zinc/56/29/35/823562935.db2.gz RDGYAFIQBISNSH-UHFFFAOYSA-N 0 0 390.418 4.493 20 30 GIEDRN C=CCN(CCc1ccco1)c1nnc(-c2ccccc2C)n1C[C@H]1CCCO1 ZINC000461041223 823564004 /nfs/dbraw/zinc/56/40/04/823564004.db2.gz 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GIEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000061187552 823582750 /nfs/dbraw/zinc/58/27/50/823582750.db2.gz VMPFWEZCSOESQR-UHFFFAOYSA-N 0 0 389.499 4.385 20 30 GIEDRN C=CCN(Cc1cccs1)c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1 ZINC000461127271 823582929 /nfs/dbraw/zinc/58/29/29/823582929.db2.gz QKYMMLVLDUCRPQ-SFHVURJKSA-N 0 0 398.532 4.089 20 30 GIEDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061198027 823583909 /nfs/dbraw/zinc/58/39/09/823583909.db2.gz WCWDOEPTBANYIS-UHFFFAOYSA-N 0 0 376.485 4.092 20 30 GIEDRN CCCc1ccc([C@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C(C)C)cc1 ZINC000061225604 823585271 /nfs/dbraw/zinc/58/52/71/823585271.db2.gz ILUBUTGXSYBVIP-HSZRJFAPSA-N 0 0 393.531 4.262 20 30 GIEDRN C[C@@H](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)c1ccc(F)cc1F ZINC000124307119 823585874 /nfs/dbraw/zinc/58/58/74/823585874.db2.gz LDRHJUIQIWNGAM-AWEZNQCLSA-N 0 0 386.398 4.176 20 30 GIEDRN CC[C@H](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)c1ccc(OC)cc1 ZINC000124309389 823586023 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/nfs/dbraw/zinc/64/74/39/823647439.db2.gz HXQDCAABFLFPBU-UHFFFAOYSA-N 0 0 394.406 4.056 20 30 GIEDRN CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1cccs1)C1CCCC1 ZINC000461492727 823647918 /nfs/dbraw/zinc/64/79/18/823647918.db2.gz RMVDJGMUMGVAOR-UHFFFAOYSA-N 0 0 393.516 4.217 20 30 GIEDRN Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccs2)cc1 ZINC000461505355 823650393 /nfs/dbraw/zinc/65/03/93/823650393.db2.gz CYMQWYMJIDIUCI-INIZCTEOSA-N 0 0 381.505 4.014 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000125131551 823653797 /nfs/dbraw/zinc/65/37/97/823653797.db2.gz HYWHABVRYYVQNS-UHFFFAOYSA-N 0 0 389.839 4.155 20 30 GIEDRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(C#N)n(C)c1 ZINC000191177202 823656689 /nfs/dbraw/zinc/65/66/89/823656689.db2.gz HYFCMUGNAVGWEZ-UHFFFAOYSA-N 0 0 379.291 4.054 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000063250453 823656864 /nfs/dbraw/zinc/65/68/64/823656864.db2.gz IKZWMLBPACFLQN-UHFFFAOYSA-N 0 0 396.834 4.467 20 30 GIEDRN C=C[C@@H](CC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1ccccc1 ZINC000412486487 823657992 /nfs/dbraw/zinc/65/79/92/823657992.db2.gz HZANIUWEKMVIKG-INIZCTEOSA-N 0 0 391.920 4.110 20 30 GIEDRN C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)c1nccs1 ZINC000412492129 823658529 /nfs/dbraw/zinc/65/85/29/823658529.db2.gz DIWRGNYDELJYKC-ZDUSSCGKSA-N 0 0 388.924 4.152 20 30 GIEDRN CC[C@@H](CN(C)S(=O)(=O)CCCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000191207798 823659259 /nfs/dbraw/zinc/65/92/59/823659259.db2.gz NYXXIUNBLLUSOW-ZDUSSCGKSA-N 0 0 393.336 4.106 20 30 GIEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000191215384 823659907 /nfs/dbraw/zinc/65/99/07/823659907.db2.gz JXQPSXSDTSGEIY-NRFANRHFSA-N 0 0 380.369 4.358 20 30 GIEDRN C=CCN(CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287386 823660221 /nfs/dbraw/zinc/66/02/21/823660221.db2.gz YNDVRSKPEBLHFE-UHFFFAOYSA-N 0 0 393.487 4.082 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC ZINC000125233615 823660823 /nfs/dbraw/zinc/66/08/23/823660823.db2.gz YETYPWUUUQIJGR-KRWDZBQOSA-N 0 0 387.487 4.411 20 30 GIEDRN O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000191235459 823661811 /nfs/dbraw/zinc/66/18/11/823661811.db2.gz HHOUPPQFJITSLJ-NRFANRHFSA-N 0 0 380.369 4.358 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000063320209 823662117 /nfs/dbraw/zinc/66/21/17/823662117.db2.gz CLZGHECARLUULM-UHFFFAOYSA-N 0 0 395.394 4.140 20 30 GIEDRN N#Cc1ccc(CNC(=O)NCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000063330497 823663337 /nfs/dbraw/zinc/66/33/37/823663337.db2.gz RVRWRQDZDQKAQG-UHFFFAOYSA-N 0 0 378.259 4.133 20 30 GIEDRN CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1)C1CCCC1 ZINC000461580068 823663917 /nfs/dbraw/zinc/66/39/17/823663917.db2.gz AEVXCDPFHMPUNZ-IBGZPJMESA-N 0 0 393.535 4.258 20 30 GIEDRN C=C(C)CN(CC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1C[C@@H]1CCOC1 ZINC000461581867 823664430 /nfs/dbraw/zinc/66/44/30/823664430.db2.gz ULKOOANUSNDMDB-PMACEKPBSA-N 0 0 398.551 4.474 20 30 GIEDRN N#CCN(C(=O)COc1ccc(C2SCCCS2)cc1)C1CCCC1 ZINC000125296207 823665761 /nfs/dbraw/zinc/66/57/61/823665761.db2.gz CCJCYKASHPTBJO-UHFFFAOYSA-N 0 0 376.547 4.229 20 30 GIEDRN C=CCN(Cc1ccc(OC)cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CCOC1 ZINC000461587841 823666167 /nfs/dbraw/zinc/66/61/67/823666167.db2.gz SXJCGBTYJYQKLK-LJQANCHMSA-N 0 0 398.551 4.104 20 30 GIEDRN COc1ccc(CN(C(=O)c2ccccc2OCC#N)C(C)(C)C)c(OC)c1 ZINC000191277964 823666582 /nfs/dbraw/zinc/66/65/82/823666582.db2.gz HTECUBNPYNKNGX-UHFFFAOYSA-N 0 0 382.460 4.047 20 30 GIEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000412613764 823667237 /nfs/dbraw/zinc/66/72/37/823667237.db2.gz SSIKJHAOMWZOCQ-LUQKVYGDSA-N 0 0 390.911 4.354 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccc2ccccc21 ZINC000063400006 823667986 /nfs/dbraw/zinc/66/79/86/823667986.db2.gz ILORJGOKCKNAPX-UHFFFAOYSA-N 0 0 392.459 4.337 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCSCc1ccc(C)cc1 ZINC000063400608 823668172 /nfs/dbraw/zinc/66/81/72/823668172.db2.gz BUNKCSXGHOTIFO-UHFFFAOYSA-N 0 0 379.529 4.498 20 30 GIEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1(c2ccccc2)CCC1 ZINC000063401059 823668205 /nfs/dbraw/zinc/66/82/05/823668205.db2.gz MERFAMUJCXAAMF-UHFFFAOYSA-N 0 0 379.460 4.414 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCCOc1ccc(C)cc1 ZINC000063402087 823668369 /nfs/dbraw/zinc/66/83/69/823668369.db2.gz JGGBFWPMRNIBIE-UHFFFAOYSA-N 0 0 377.488 4.424 20 30 GIEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000063424439 823670252 /nfs/dbraw/zinc/67/02/52/823670252.db2.gz DSEHYJLLDTXWAB-UHFFFAOYSA-N 0 0 388.254 4.018 20 30 GIEDRN CC(C)(C)n1cc(/C=C/C(=O)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)nn1 ZINC000191327439 823672355 /nfs/dbraw/zinc/67/23/55/823672355.db2.gz OUAMLQBUKRLMKI-IJDCCNJMSA-N 0 0 387.455 4.016 20 30 GIEDRN C=CCOc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1Br ZINC000191327868 823672386 /nfs/dbraw/zinc/67/23/86/823672386.db2.gz AVEJBGLCEOOELU-UHFFFAOYSA-N 0 0 390.233 4.053 20 30 GIEDRN Cc1cc(C(N)=NOCC(=O)Nc2ccccc2-c2ccccc2)ccc1F ZINC000063457803 823672607 /nfs/dbraw/zinc/67/26/07/823672607.db2.gz SATSUJZYUNIYAR-UHFFFAOYSA-N 0 0 377.419 4.077 20 30 GIEDRN C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)CC(F)(F)F ZINC000412666660 823673178 /nfs/dbraw/zinc/67/31/78/823673178.db2.gz YYMBSWXRPLCREY-CQSZACIVSA-N 0 0 376.378 4.456 20 30 GIEDRN C[C@H](Oc1ccccc1)C(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000063497477 823676024 /nfs/dbraw/zinc/67/60/24/823676024.db2.gz KZWNNKNKVCCNPW-NSHDSACASA-N 0 0 387.237 4.290 20 30 GIEDRN CC(C)CCN(CCC#N)c1nnc(CC2CCCC2)n1C[C@H]1CCCCO1 ZINC000461660178 823676639 /nfs/dbraw/zinc/67/66/39/823676639.db2.gz GSFRLOFJZRMSRE-HXUWFJFHSA-N 0 0 387.572 4.346 20 30 GIEDRN C=C(C)CN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCCCO1 ZINC000461664328 823677356 /nfs/dbraw/zinc/67/73/56/823677356.db2.gz ROHMQFFUWXEKJO-IBGZPJMESA-N 0 0 393.535 4.322 20 30 GIEDRN C=CCn1c(Cc2ccccc2)nnc1SCc1cccc2c1OCCO2 ZINC000063562987 823679577 /nfs/dbraw/zinc/67/95/77/823679577.db2.gz ZGGDWGHLOUSPLJ-UHFFFAOYSA-N 0 0 379.485 4.118 20 30 GIEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000125498775 823681011 /nfs/dbraw/zinc/68/10/11/823681011.db2.gz MSPQCSURGKCYFA-UHFFFAOYSA-N 0 0 392.845 4.228 20 30 GIEDRN CC[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H](O)C(C)C ZINC000412759865 823681532 /nfs/dbraw/zinc/68/15/32/823681532.db2.gz WJHNBXQGAXKIGA-FPOVZHCZSA-N 0 0 382.529 4.376 20 30 GIEDRN CCS(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C#N)cc1 ZINC000063595881 823682009 /nfs/dbraw/zinc/68/20/09/823682009.db2.gz PDXJZMPAQQULJK-UHFFFAOYSA-N 0 0 396.493 4.333 20 30 GIEDRN CCC[C@H](C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 ZINC000461701092 823683788 /nfs/dbraw/zinc/68/37/88/823683788.db2.gz MTWZRVJDVUTEEF-DSKINZAPSA-N 0 0 393.535 4.258 20 30 GIEDRN CC(=O)Nc1ccc(/C=C2\COc3c(F)cc(Br)cc3C2=O)cc1 ZINC000125542087 823683785 /nfs/dbraw/zinc/68/37/85/823683785.db2.gz XMFKALFGTKIHMC-WUXMJOGZSA-N 0 0 390.208 4.205 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCCCNC(=O)c1occc1C ZINC000191431978 823684573 /nfs/dbraw/zinc/68/45/73/823684573.db2.gz RFMRQHKFNMFBQR-UHFFFAOYSA-N 0 0 383.492 4.382 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000461709448 823685508 /nfs/dbraw/zinc/68/55/08/823685508.db2.gz YQFFXGHDGOLJKB-UHFFFAOYSA-N 0 0 377.366 4.416 20 30 GIEDRN C[C@@H](C#N)OC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000063641193 823685819 /nfs/dbraw/zinc/68/58/19/823685819.db2.gz XILHCKHHTRFCRI-NSHDSACASA-N 0 0 382.217 4.128 20 30 GIEDRN CCCNc1ccc(C#N)cc1NC(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000461710765 823685867 /nfs/dbraw/zinc/68/58/67/823685867.db2.gz IHOVKBMHMXDLEL-UHFFFAOYSA-N 0 0 377.366 4.460 20 30 GIEDRN CCOc1ccc(C#N)cc1N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000063641803 823685971 /nfs/dbraw/zinc/68/59/71/823685971.db2.gz LDVFDRPRNBLCBH-LBPRGKRZSA-N 0 0 393.365 4.295 20 30 GIEDRN CCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000063642037 823686101 /nfs/dbraw/zinc/68/61/01/823686101.db2.gz PEQZTIKCGRCQKA-GFCCVEGCSA-N 0 0 377.366 4.415 20 30 GIEDRN CCOCC(C)(C)CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000461714240 823686315 /nfs/dbraw/zinc/68/63/15/823686315.db2.gz HRVOFTLMCUZHIG-UHFFFAOYSA-N 0 0 397.494 4.472 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000412843806 823686661 /nfs/dbraw/zinc/68/66/61/823686661.db2.gz SRUQRLIVIATJAT-RTWAWAEBSA-N 0 0 384.907 4.211 20 30 GIEDRN C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000412845687 823686814 /nfs/dbraw/zinc/68/68/14/823686814.db2.gz VWQSAAHTGMFNKV-JOCHJYFZSA-N 0 0 379.500 4.299 20 30 GIEDRN C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000412848133 823686932 /nfs/dbraw/zinc/68/69/32/823686932.db2.gz YOYMLWGDAOHAGB-FQEVSTJZSA-N 0 0 393.487 4.115 20 30 GIEDRN Fc1ccc(-c2nnc(SCC#Cc3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000191454710 823687026 /nfs/dbraw/zinc/68/70/26/823687026.db2.gz ULFCRNPFUWKJRB-FQEVSTJZSA-N 0 0 393.487 4.407 20 30 GIEDRN CCN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 ZINC000461721726 823687335 /nfs/dbraw/zinc/68/73/35/823687335.db2.gz CLZYBKRNDQCHTB-HXUWFJFHSA-N 0 0 379.508 4.012 20 30 GIEDRN COc1ccc(C(=O)CCCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063661881 823687515 /nfs/dbraw/zinc/68/75/15/823687515.db2.gz LZDUVPXPKXWMCU-UHFFFAOYSA-N 0 0 378.472 4.357 20 30 GIEDRN C=CCOc1ccccc1CNc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 ZINC000125584615 823687560 /nfs/dbraw/zinc/68/75/60/823687560.db2.gz SIDDAQMCKZKUKO-QGZVFWFLSA-N 0 0 388.533 4.081 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000191464374 823687908 /nfs/dbraw/zinc/68/79/08/823687908.db2.gz VCUAPKJUUWRGGT-OAQYLSRUSA-N 0 0 396.535 4.250 20 30 GIEDRN COCCn1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c2ccccc21 ZINC000063667804 823687893 /nfs/dbraw/zinc/68/78/93/823687893.db2.gz HVJHCLWWXQPDJI-UHFFFAOYSA-N 0 0 375.472 4.210 20 30 GIEDRN Cc1ccc2nc(C3CC3)cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2c1 ZINC000461725508 823688054 /nfs/dbraw/zinc/68/80/54/823688054.db2.gz HGCOGPKPADYESP-UHFFFAOYSA-N 0 0 383.451 4.196 20 30 GIEDRN COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000461730790 823688661 /nfs/dbraw/zinc/68/86/61/823688661.db2.gz VDURKACOWHPSRE-ZDUSSCGKSA-N 0 0 387.277 4.091 20 30 GIEDRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000412895360 823689389 /nfs/dbraw/zinc/68/93/89/823689389.db2.gz GAXRUUPKQVONDI-QGZVFWFLSA-N 0 0 382.504 4.216 20 30 GIEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(C2CCCCC2)CCCCC1 ZINC000461738083 823689611 /nfs/dbraw/zinc/68/96/11/823689611.db2.gz RGDLTMLUTVBFBQ-UHFFFAOYSA-N 0 0 391.519 4.339 20 30 GIEDRN N#Cc1cccnc1-n1cc(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)cn1 ZINC000461744014 823690571 /nfs/dbraw/zinc/69/05/71/823690571.db2.gz BSILXGCLOLDEDI-UHFFFAOYSA-N 0 0 397.225 4.179 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000191490099 823690598 /nfs/dbraw/zinc/69/05/98/823690598.db2.gz KCEJRQREAFZYEH-NRFANRHFSA-N 0 0 393.531 4.360 20 30 GIEDRN C(#Cc1ccccc1)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000191492772 823691013 /nfs/dbraw/zinc/69/10/13/823691013.db2.gz WPVFHZHUJYIWMO-KRWDZBQOSA-N 0 0 381.526 4.329 20 30 GIEDRN CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000412906438 823691885 /nfs/dbraw/zinc/69/18/85/823691885.db2.gz ITZFAJOKGDTLRS-CQSZACIVSA-N 0 0 376.884 4.186 20 30 GIEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000191501153 823692053 /nfs/dbraw/zinc/69/20/53/823692053.db2.gz UDHNXHDSCSCKBA-NRFANRHFSA-N 0 0 398.503 4.411 20 30 GIEDRN Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)C[C@@H](C)C#N ZINC000063747094 823693361 /nfs/dbraw/zinc/69/33/61/823693361.db2.gz RPGOVOQGFKJLEU-JTQLQIEISA-N 0 0 393.871 4.333 20 30 GIEDRN Cc1nc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(Cl)cc1C#N ZINC000461768149 823693447 /nfs/dbraw/zinc/69/34/47/823693447.db2.gz NXAQJWSHAYDJND-CQSZACIVSA-N 0 0 397.841 4.488 20 30 GIEDRN Cc1nc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(Cl)cc1C#N ZINC000461768540 823693454 /nfs/dbraw/zinc/69/34/54/823693454.db2.gz PEVXUSHPXUFUFV-UHFFFAOYSA-N 0 0 378.867 4.084 20 30 GIEDRN Cc1nc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(Cl)cc1C#N ZINC000461768144 823693535 /nfs/dbraw/zinc/69/35/35/823693535.db2.gz NXAQJWSHAYDJND-AWEZNQCLSA-N 0 0 397.841 4.488 20 30 GIEDRN Cc1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1OC(C)C ZINC000063765102 823694191 /nfs/dbraw/zinc/69/41/91/823694191.db2.gz LZVGDBFDMNSWTN-UHFFFAOYSA-N 0 0 386.517 4.253 20 30 GIEDRN N#Cc1cc(S(=O)(=O)N(CCc2ccccc2)C2CCCC2)ccc1Cl ZINC000063765758 823694293 /nfs/dbraw/zinc/69/42/93/823694293.db2.gz PTRVJMAHHRRMCJ-UHFFFAOYSA-N 0 0 388.920 4.388 20 30 GIEDRN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000063765219 823694320 /nfs/dbraw/zinc/69/43/20/823694320.db2.gz HTCRQPCKBRMZEW-UHFFFAOYSA-N 0 0 382.407 4.176 20 30 GIEDRN Cc1nc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)c(Cl)cc1C#N ZINC000461780171 823694666 /nfs/dbraw/zinc/69/46/66/823694666.db2.gz XLOZTMXAZINKHB-CQSZACIVSA-N 0 0 376.913 4.247 20 30 GIEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000461787288 823695346 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CC(=O)c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000182505728 822272636 /nfs/dbraw/zinc/27/26/36/822272636.db2.gz RBDKCQKBXZLWGT-UHFFFAOYSA-N 0 0 396.878 4.158 20 30 GIEDRN CC(C)(C#N)CCC[S@@](=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000177992156 822273154 /nfs/dbraw/zinc/27/31/54/822273154.db2.gz FQNVHTPRCHWFPQ-AREMUKBSSA-N 0 0 385.411 4.334 20 30 GIEDRN N#CCCN(Cc1ccccn1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182522028 822281466 /nfs/dbraw/zinc/28/14/66/822281466.db2.gz PCQQLCRHJNPFRK-UHFFFAOYSA-N 0 0 395.207 4.070 20 30 GIEDRN CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182525887 822283005 /nfs/dbraw/zinc/28/30/05/822283005.db2.gz NACMYIFPQLJEBB-UHFFFAOYSA-N 0 0 380.192 4.263 20 30 GIEDRN C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccccc1SC(F)F ZINC000182571129 822307440 /nfs/dbraw/zinc/30/74/40/822307440.db2.gz ORFWZJAEOJINAZ-LBPRGKRZSA-N 0 0 377.416 4.343 20 30 GIEDRN C[C@H](C#N)Oc1ccccc1NCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000182573058 822307964 /nfs/dbraw/zinc/30/79/64/822307964.db2.gz 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COc1cccc2c1CCN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)C2 ZINC000182703028 822355814 /nfs/dbraw/zinc/35/58/14/822355814.db2.gz DBRXGJSNNZFNCG-MRXNPFEDSA-N 0 0 395.528 4.086 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000453413502 822359245 /nfs/dbraw/zinc/35/92/45/822359245.db2.gz KXLLHEBXGVRPDG-LJQANCHMSA-N 0 0 386.446 4.278 20 30 GIEDRN C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000453414493 822359594 /nfs/dbraw/zinc/35/95/94/822359594.db2.gz NSWLSUJQGJJNJL-XRXFAXGQSA-N 0 0 378.520 4.478 20 30 GIEDRN C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(c2c(F)cccc2F)CC1 ZINC000453415082 822359746 /nfs/dbraw/zinc/35/97/46/822359746.db2.gz QQTWACOKOZPZTP-KSSFIOAISA-N 0 0 388.462 4.366 20 30 GIEDRN C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H](COC)CC1 ZINC000453424123 822361038 /nfs/dbraw/zinc/36/10/38/822361038.db2.gz HMQQVFWWMVFXPM-KRWDZBQOSA-N 0 0 393.491 4.039 20 30 GIEDRN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000182748504 822361766 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C=C(C)[C@@H](NC(=O)CSCC(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000184837433 822697943 /nfs/dbraw/zinc/69/79/43/822697943.db2.gz FBFLRZPDFMMHJF-HXUWFJFHSA-N 0 0 375.440 4.314 20 30 GIEDRN CCCOc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000049336075 822699437 /nfs/dbraw/zinc/69/94/37/822699437.db2.gz NIAGIQFKGOHVDI-JKSUJKDBSA-N 0 0 381.476 4.477 20 30 GIEDRN N#CCOc1ccc(CNC(=O)CCCc2cccc(C(F)(F)F)c2)cc1 ZINC000184847506 822699838 /nfs/dbraw/zinc/69/98/38/822699838.db2.gz MQNTXJKUZIOCEA-UHFFFAOYSA-N 0 0 376.378 4.247 20 30 GIEDRN Cc1ccc(C#N)cc1NC(=O)c1cc(Cl)ccc1I ZINC000049524550 822701500 /nfs/dbraw/zinc/70/15/00/822701500.db2.gz OSPSPFAIFPVKPK-UHFFFAOYSA-N 0 0 396.615 4.377 20 30 GIEDRN C=C(C)[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccc(F)c(F)c1 ZINC000184856978 822701519 /nfs/dbraw/zinc/70/15/19/822701519.db2.gz HRGLSZRQJBFHPP-FQEVSTJZSA-N 0 0 388.389 4.278 20 30 GIEDRN CN(C(=O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000180559229 822702318 /nfs/dbraw/zinc/70/23/18/822702318.db2.gz 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JFAZVQIGOYCUFA-UHFFFAOYSA-N 0 0 376.378 4.184 20 30 GIEDRN C=CCc1cc(CNC(=O)c2ccccc2Br)cc(OC)c1OC ZINC000050526982 822732568 /nfs/dbraw/zinc/73/25/68/822732568.db2.gz UFVFQEQRLXXLIX-UHFFFAOYSA-N 0 0 390.277 4.125 20 30 GIEDRN COc1ccc(CSCc2nnc(-c3ccc(Cl)cc3)n2C)cc1C#N ZINC000185079353 822734060 /nfs/dbraw/zinc/73/40/60/822734060.db2.gz BYKLUFDJYJOXFH-UHFFFAOYSA-N 0 0 384.892 4.449 20 30 GIEDRN N#C[C@@H](C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 ZINC000050682476 822736107 /nfs/dbraw/zinc/73/61/07/822736107.db2.gz IYZGUYLTQLLCKC-KRWDZBQOSA-N 0 0 399.878 4.085 20 30 GIEDRN CSc1nc(C2CC2)cc(C(=O)NCCCCOCc2ccccc2)c1C#N ZINC000050690286 822736236 /nfs/dbraw/zinc/73/62/36/822736236.db2.gz QADJZBNZBLHGGT-UHFFFAOYSA-N 0 0 395.528 4.279 20 30 GIEDRN Cc1nn(CC(C)C)c(C)c1CC(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000185093969 822736281 /nfs/dbraw/zinc/73/62/81/822736281.db2.gz NPLBQSHYBXQMFM-UHFFFAOYSA-N 0 0 396.579 4.410 20 30 GIEDRN C=C(C)[C@H](NC(=O)NCc1cccnc1OCC(F)F)c1ccc(F)c(F)c1 ZINC000185096703 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