smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000069235742 519681772 /nfs/dbraw/zinc/68/17/72/519681772.db2.gz POAFFJZBEYPTJZ-CYBMUJFWSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)N[C@](C)(C#N)COc1cccc(F)c1F ZINC000062653139 519739310 /nfs/dbraw/zinc/73/93/10/519739310.db2.gz SOGLDNKNHPMSFO-CYBMUJFWSA-N 0 0 254.280 2.624 10 30 CFEERN CCCNc1c(C#N)cnc2c(OC)ccc(OC)c21 ZINC000050842608 520127979 /nfs/dbraw/zinc/12/79/79/520127979.db2.gz RHFUCZUEYVPKJP-UHFFFAOYSA-N 0 0 271.320 2.946 10 30 CFEERN CCCNc1cc(CN(CC)C[C@@H](C)C#N)ccn1 ZINC000052729698 520134979 /nfs/dbraw/zinc/13/49/79/520134979.db2.gz FJZFEAWCHQNFCL-ZDUSSCGKSA-N 0 0 260.385 2.885 10 30 CFEERN CCNc1ncccc1C(=O)Nc1cccc(C#N)c1 ZINC000050728353 520375848 /nfs/dbraw/zinc/37/58/48/520375848.db2.gz QVGNBZYRCDLVSC-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)CCC2 ZINC000330060742 534510885 /nfs/dbraw/zinc/51/08/85/534510885.db2.gz NDKYLTCGMCKXGZ-HZSPNIEDSA-N 0 0 291.395 2.841 10 30 CFEERN CCC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000069401837 520947014 /nfs/dbraw/zinc/94/70/14/520947014.db2.gz RZPINMNJTKQSBP-MRXNPFEDSA-N 0 0 290.338 2.774 10 30 CFEERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cc(C#N)ccc1C ZINC000050430351 521334455 /nfs/dbraw/zinc/33/44/55/521334455.db2.gz OYGCXKKHULPECF-GFCCVEGCSA-N 0 0 273.380 2.972 10 30 CFEERN CC[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794440 522066749 /nfs/dbraw/zinc/06/67/49/522066749.db2.gz WOMRPLNRJCSETP-MRVPVSSYSA-N 0 0 255.749 2.669 10 30 CFEERN Cc1nc2c(cccc2C(=O)NC[C@@H]2CCCC2=O)o1 ZINC000330041599 534626506 /nfs/dbraw/zinc/62/65/06/534626506.db2.gz DEPFQZPYTUVNBL-JTQLQIEISA-N 0 0 272.304 2.810 10 30 CFEERN CNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000050728382 522599244 /nfs/dbraw/zinc/59/92/44/522599244.db2.gz GXAZCWABNUOJEY-UHFFFAOYSA-N 0 0 251.289 2.852 10 30 CFEERN COc1cc(N)ccc1OCc1ccccc1C#N ZINC000050505201 522628447 /nfs/dbraw/zinc/62/84/47/522628447.db2.gz FNHIWKWSHKWJFM-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN CNc1ncccc1C(=O)Nc1cc(C#N)ccc1C ZINC000050771552 522708476 /nfs/dbraw/zinc/70/84/76/522708476.db2.gz MLNNEECMTDFNAE-UHFFFAOYSA-N 0 0 266.304 2.556 10 30 CFEERN COCc1ccccc1NC1=NC(C)(C)CS1 ZINC000049510544 523087728 /nfs/dbraw/zinc/08/77/28/523087728.db2.gz AUICHGLDFQRSDK-UHFFFAOYSA-N 0 0 250.367 2.936 10 30 CFEERN COC(=O)[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000050506495 523932986 /nfs/dbraw/zinc/93/29/86/523932986.db2.gz RAHDFQYADVUCEG-OAHLLOKOSA-N 0 0 266.300 2.884 10 30 CFEERN Cc1cc(N(C)Cc2cccnc2)c(C#N)c(C)n1 ZINC000157394544 525028746 /nfs/dbraw/zinc/02/87/46/525028746.db2.gz PGLKLZGBPUFZED-UHFFFAOYSA-N 0 0 252.321 2.602 10 30 CFEERN Cc1cc(NCCc2ccccn2)c(C#N)c(C)n1 ZINC000156537691 525273124 /nfs/dbraw/zinc/27/31/24/525273124.db2.gz NMMLFNNYYJWXEP-UHFFFAOYSA-N 0 0 252.321 2.620 10 30 CFEERN Cc1cc(Oc2ccnc(C#N)c2)ccc1[N+](=O)[O-] ZINC000061815425 525387198 /nfs/dbraw/zinc/38/71/98/525387198.db2.gz FXGDDBTVXKGBNJ-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN C[C@@H](NCc1cccnc1C#N)c1ccccc1F ZINC000061658359 525541204 /nfs/dbraw/zinc/54/12/04/525541204.db2.gz OPXLYCYJVKRURY-LLVKDONJSA-N 0 0 255.296 2.943 10 30 CFEERN C[C@@H]1[C@@H](C)CCCN1CC(=O)c1ccc(C#N)cc1 ZINC000050565800 525640404 /nfs/dbraw/zinc/64/04/04/525640404.db2.gz QRYUCZBJVJFJJG-QWHCGFSZSA-N 0 0 256.349 2.861 10 30 CFEERN Cc1c(C)n([C@@H]2CCOc3ccccc32)c(N)c1C#N ZINC000051987672 525687584 /nfs/dbraw/zinc/68/75/84/525687584.db2.gz BRFFPTQNBZVVPO-CQSZACIVSA-N 0 0 267.332 2.931 10 30 CFEERN CS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235107010 525842173 /nfs/dbraw/zinc/84/21/73/525842173.db2.gz URTSHUOMKOFMHW-RKDXNWHRSA-N 0 0 278.337 2.557 10 30 CFEERN Cc1ccc(C#N)cc1N1C(=O)C[C@](C)(C(C)C)C1=O ZINC000050436428 525995209 /nfs/dbraw/zinc/99/52/09/525995209.db2.gz UCHXPEUZJQVYBQ-MRXNPFEDSA-N 0 0 270.332 2.792 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1n[nH]c(C(C)C)c1N ZINC000050428748 526004433 /nfs/dbraw/zinc/00/44/33/526004433.db2.gz CQCNTLNTODCBAK-UHFFFAOYSA-N 0 0 283.335 2.548 10 30 CFEERN Cc1ccc(C#N)cc1N[C@H](C)C(=O)NC1CCCC1 ZINC000050430310 526008833 /nfs/dbraw/zinc/00/88/33/526008833.db2.gz DOEYWGJCKRAQLQ-GFCCVEGCSA-N 0 0 271.364 2.726 10 30 CFEERN Cc1nnc(N(C)[C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000055387551 526352663 /nfs/dbraw/zinc/35/26/63/526352663.db2.gz SEYDZFDWDYREJR-HZMBPMFUSA-N 0 0 258.369 2.980 10 30 CFEERN Cc1nnc(SCCC[C@](C)(C#N)NC(C)C)o1 ZINC000051038702 526384505 /nfs/dbraw/zinc/38/45/05/526384505.db2.gz AATXNZABNJJCMI-GFCCVEGCSA-N 0 0 268.386 2.531 10 30 CFEERN N#CCCN(CC(=O)c1ccc(Cl)cc1)C1CC1 ZINC000050146425 526453835 /nfs/dbraw/zinc/45/38/35/526453835.db2.gz UVFCDKHKAPOSLX-UHFFFAOYSA-N 0 0 262.740 2.901 10 30 CFEERN N#CC[C@@H](NCCc1cccnc1)c1ccccc1 ZINC000055017082 526479945 /nfs/dbraw/zinc/47/99/45/526479945.db2.gz DPDRVSWIPFBTEZ-MRXNPFEDSA-N 0 0 251.333 2.869 10 30 CFEERN N#Cc1c(Cl)cccc1N1CCCC[C@@H]1CO ZINC000049933763 526518265 /nfs/dbraw/zinc/51/82/65/526518265.db2.gz AXEWRNQLMPVTCJ-SNVBAGLBSA-N 0 0 250.729 2.563 10 30 CFEERN Cc1nc(C(=O)N(C)c2cccc(C#N)c2)cs1 ZINC000049314352 526636575 /nfs/dbraw/zinc/63/65/75/526636575.db2.gz YFJUPWHITPNJGW-UHFFFAOYSA-N 0 0 257.318 2.600 10 30 CFEERN N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000050924588 526638012 /nfs/dbraw/zinc/63/80/12/526638012.db2.gz ROGBIVVAIKKVBH-CQSZACIVSA-N 0 0 290.338 2.917 10 30 CFEERN N#Cc1ccc(F)c(C[NH+]2CCC(CCC(=O)[O-])CC2)c1 ZINC000050926087 526638204 /nfs/dbraw/zinc/63/82/04/526638204.db2.gz RHLALCLEVUUXFY-UHFFFAOYSA-N 0 0 290.338 2.774 10 30 CFEERN N#Cc1ccc(NC[C@H]2Cc3ccccc3O2)c(N)c1 ZINC000051086706 526664385 /nfs/dbraw/zinc/66/43/85/526664385.db2.gz LKOVOFQOJHJKQI-CYBMUJFWSA-N 0 0 265.316 2.556 10 30 CFEERN N#Cc1ccccc1OCc1nc2sccc2c(N)n1 ZINC000050831390 526747475 /nfs/dbraw/zinc/74/74/75/526747475.db2.gz FOKXYGNSFSBXMU-UHFFFAOYSA-N 0 0 282.328 2.724 10 30 CFEERN N#Cc1cnc2c(OC(F)(F)F)cccc2c1N ZINC000050842096 526775762 /nfs/dbraw/zinc/77/57/62/526775762.db2.gz WUPWRACJXDTUFU-UHFFFAOYSA-N 0 0 253.183 2.587 10 30 CFEERN C=CCO[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1 ZINC000302154355 526820615 /nfs/dbraw/zinc/82/06/15/526820615.db2.gz MLWVOALXMHWIOX-MRVPVSSYSA-N 0 0 278.299 2.943 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000302148038 526820640 /nfs/dbraw/zinc/82/06/40/526820640.db2.gz LFIHQDJNMIZAOU-LLVKDONJSA-N 0 0 266.272 2.515 10 30 CFEERN Cc1nc(CCNc2cc(C)nc(C)c2C#N)cs1 ZINC000219763393 526830400 /nfs/dbraw/zinc/83/04/00/526830400.db2.gz CVEPKUHUXJDFFW-UHFFFAOYSA-N 0 0 272.377 2.990 10 30 CFEERN C#Cc1cccc(N(CC)Cc2nnc(C)n2CC)c1 ZINC000103145642 527443298 /nfs/dbraw/zinc/44/32/98/527443298.db2.gz PZWQVVCJUJDQRV-UHFFFAOYSA-N 0 0 268.364 2.614 10 30 CFEERN OCC#Cc1c(OC2CCOCC2)ccc2ccccc21 ZINC000069310382 527517920 /nfs/dbraw/zinc/51/79/20/527517920.db2.gz NNCKCRFHZYBAHC-UHFFFAOYSA-N 0 0 282.339 2.741 10 30 CFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](CO)CC1CCCC1 ZINC000330189593 527807332 /nfs/dbraw/zinc/80/73/32/527807332.db2.gz VJHFATYKJYLLJX-RBSFLKMASA-N 0 0 283.412 2.945 10 30 CFEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(Cl)cc1 ZINC000234583087 567893965 /nfs/dbraw/zinc/89/39/65/567893965.db2.gz FSOILIMTFMSKOH-WDEREUQCSA-N 0 0 261.104 2.694 10 30 CFEERN C=C[C@@H](C)OC(=O)C1(c2ccccc2)CCOCC1 ZINC000187563108 617706340 /nfs/dbraw/zinc/70/63/40/617706340.db2.gz KUIUXMAZDGJIMR-CYBMUJFWSA-N 0 0 260.333 2.853 10 30 CFEERN N#Cc1c(N)[nH]c(Br)c1-c1ccccc1 ZINC000757171571 617865521 /nfs/dbraw/zinc/86/55/21/617865521.db2.gz SQCJCKBQPXISFB-UHFFFAOYSA-N 0 0 262.110 2.898 10 30 CFEERN C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)c1cccs1 ZINC000177718426 618055215 /nfs/dbraw/zinc/05/52/15/618055215.db2.gz JLPAOVIYLVWYBR-NSHDSACASA-N 0 0 299.351 2.706 10 30 CFEERN COC[C@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000177750076 618604899 /nfs/dbraw/zinc/60/48/99/618604899.db2.gz UVVLXHVQYAKFLE-VHSXEESVSA-N 0 0 266.366 2.725 10 30 CFEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000178290908 618735446 /nfs/dbraw/zinc/73/54/46/618735446.db2.gz CEMHTCVYRNTABD-GZMMTYOYSA-N 0 0 295.722 2.693 10 30 CFEERN C[C@@H]1OCCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195046425 618945437 /nfs/dbraw/zinc/94/54/37/618945437.db2.gz JHQPHONPHXKJGM-RYUDHWBXSA-N 0 0 253.342 2.675 10 30 CFEERN CCc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000228115129 623131070 /nfs/dbraw/zinc/13/10/70/623131070.db2.gz GSKJSQBLZWVQGS-JOYOIKCWSA-N 0 0 277.755 2.719 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061890257 623240118 /nfs/dbraw/zinc/24/01/18/623240118.db2.gz QQFASFUIUFEZKY-ONGXEEELSA-N 0 0 293.710 2.670 10 30 CFEERN C[C@H](OC(=O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000151615536 623539862 /nfs/dbraw/zinc/53/98/62/623539862.db2.gz AENCGFJNPDVHOE-NSHDSACASA-N 0 0 259.305 2.530 10 30 CFEERN N#Cc1ccc(NC[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000089166667 623615594 /nfs/dbraw/zinc/61/55/94/623615594.db2.gz YPYSETOFLPKIKY-GWCFXTLKSA-N 0 0 250.729 2.785 10 30 CFEERN N#C[C@H](COC(=O)[C@@H]1C[C@H]1C1CC1)Cc1ccccc1 ZINC000246174788 624585522 /nfs/dbraw/zinc/58/55/22/624585522.db2.gz SMCXVAIVNIHBFR-VNQPRFMTSA-N 0 0 269.344 2.958 10 30 CFEERN Oc1ccc(/C=N/[C@H]2CCOc3ccccc32)c(O)c1O ZINC000193062465 650620407 /nfs/dbraw/zinc/62/04/07/650620407.db2.gz RZEQZSXSBZVHFN-UWONZBIMSA-N 0 0 285.299 2.746 10 30 CFEERN C[Si](C)(C)C#C/C=C\S(=O)(=O)c1ccccc1 ZINC000195802537 650761972 /nfs/dbraw/zinc/76/19/72/650761972.db2.gz BEKCFNNIQGCNIN-XFFZJAGNSA-N 0 0 264.422 2.855 10 30 CFEERN N#CCNC=CC(=O)c1cc(Cl)ccc1Cl ZINC000198708467 650794673 /nfs/dbraw/zinc/79/46/73/650794673.db2.gz VNQJLTOGFBLBPM-HWKANZROSA-N 0 0 255.104 2.803 10 30 CFEERN C#C[C@H](C)OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246461107 650870253 /nfs/dbraw/zinc/87/02/53/650870253.db2.gz AAKWGXXUOMFXAR-LSJOCFKGSA-N 0 0 250.244 2.633 10 30 CFEERN CCOC(=O)c1cnc2ccc(C#N)cc2c1Cl ZINC000095627647 185016843 /nfs/dbraw/zinc/01/68/43/185016843.db2.gz LNLHDJRQDXYJMO-UHFFFAOYSA-N 0 0 260.680 2.937 10 30 CFEERN N#Cc1cnc(-c2cccc(OC(F)(F)F)c2)nc1 ZINC000095803073 185028353 /nfs/dbraw/zinc/02/83/53/185028353.db2.gz HASXNCMLHGZLLK-UHFFFAOYSA-N 0 0 265.194 2.914 10 30 CFEERN CC(C)c1nc([C@@H]2CCCN2Cc2ccc(C#N)o2)no1 ZINC000127798351 187333730 /nfs/dbraw/zinc/33/37/30/187333730.db2.gz YHXGTWSFZQZCOM-ZDUSSCGKSA-N 0 0 286.335 2.995 10 30 CFEERN CCn1ncc(/C=C/C(=O)c2cccc(O)c2)c1C ZINC000096854147 185117779 /nfs/dbraw/zinc/11/77/79/185117779.db2.gz LAGSDFILZKLHHG-BQYQJAHWSA-N 0 0 256.305 2.813 10 30 CFEERN C[C@H](C#N)NC(=O)c1cccnc1Sc1ccccc1 ZINC000068924940 346876970 /nfs/dbraw/zinc/87/69/70/346876970.db2.gz QBUBRPMICOSVCO-LLVKDONJSA-N 0 0 283.356 2.875 10 30 CFEERN Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2C#N)c(C)c1 ZINC000595690436 349701826 /nfs/dbraw/zinc/70/18/26/349701826.db2.gz RNNLVYWCGFEALO-GOEBONIOSA-N 0 0 257.381 2.913 10 30 CFEERN CCCc1nccnc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000596079773 349789056 /nfs/dbraw/zinc/78/90/56/349789056.db2.gz XWGLCMYGYDQRCS-LBPRGKRZSA-N 0 0 266.348 2.896 10 30 CFEERN C=CCN1c2ccc(NC(=O)CCCC)cc2OCC1=O ZINC000012296083 136378960 /nfs/dbraw/zinc/37/89/60/136378960.db2.gz IYQVBZABCNDAFC-UHFFFAOYSA-N 0 0 288.347 2.727 10 30 CFEERN CC(C)Nc1cccc(CNc2cnc(C#N)cn2)c1 ZINC000126808369 187263723 /nfs/dbraw/zinc/26/37/23/187263723.db2.gz SCPXWWJMMDPTBX-UHFFFAOYSA-N 0 0 267.336 2.781 10 30 CFEERN N#Cc1ccccc1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000073955837 346986629 /nfs/dbraw/zinc/98/66/29/346986629.db2.gz HPCINMDLGAEEOW-UHFFFAOYSA-N 0 0 278.271 2.864 10 30 CFEERN CCc1cnc([C@@H](C)Nc2cnc(C#N)cn2)s1 ZINC000127122729 187284376 /nfs/dbraw/zinc/28/43/76/187284376.db2.gz RRAWZUMQXAZKLL-MRVPVSSYSA-N 0 0 259.338 2.540 10 30 CFEERN CCO[C@@H](/C(N)=N/O)c1ccc(Cl)c(Cl)c1 ZINC000005650861 346212833 /nfs/dbraw/zinc/21/28/33/346212833.db2.gz SZZUPDHXNKTILB-SECBINFHSA-N 0 0 263.124 2.817 10 30 CFEERN CC(C)[C@@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031484461 346294962 /nfs/dbraw/zinc/29/49/62/346294962.db2.gz PUJOAWZWLJQUCU-KRWDZBQOSA-N 0 0 272.392 2.826 10 30 CFEERN N#C[C@]1(N2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000037355419 346330170 /nfs/dbraw/zinc/33/01/70/346330170.db2.gz WIRFRHCRPDGMHF-QGZVFWFLSA-N 0 0 269.392 2.641 10 30 CFEERN C=CCCCCC/C=C/[C@@H](O)C#CC#C[C@@H](O)C=C ZINC000033838767 346312396 /nfs/dbraw/zinc/31/23/96/346312396.db2.gz OLUQMFYBNOJBQQ-NEXKZYMUSA-N 0 0 258.361 2.594 10 30 CFEERN C[S@@](=O)c1sc(C#N)c2c1C(=O)CC(C)(C)C2 ZINC000034171162 346314620 /nfs/dbraw/zinc/31/46/20/346314620.db2.gz FCOHQTUMMOCTIC-KRWDZBQOSA-N 0 0 267.375 2.512 10 30 CFEERN Cc1cc(I)cc(C)c1C#N ZINC000036468526 346323358 /nfs/dbraw/zinc/32/33/58/346323358.db2.gz IRYXILUPKYJSGL-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN CCCCCCCCNC(=O)Cc1ccc(O)c(N)c1 ZINC000043273939 346381641 /nfs/dbraw/zinc/38/16/41/346381641.db2.gz UTARKPYYZJRAHU-UHFFFAOYSA-N 0 0 278.396 2.994 10 30 CFEERN O=CC1CCN(Cc2cc(Br)cs2)CC1 ZINC000054239005 346563845 /nfs/dbraw/zinc/56/38/45/346563845.db2.gz NCMGPYMXYBWEDC-UHFFFAOYSA-N 0 0 288.210 2.922 10 30 CFEERN N#C[C@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828665 346577370 /nfs/dbraw/zinc/57/73/70/346577370.db2.gz HTDQOTSZSXMJSM-DGCLKSJQSA-N 0 0 259.309 2.767 10 30 CFEERN O=CCCn1cc(Br)c2ccccc21 ZINC000062543103 346689757 /nfs/dbraw/zinc/68/97/57/346689757.db2.gz UETSISOHIFCEAD-UHFFFAOYSA-N 0 0 252.111 2.993 10 30 CFEERN CC[C@@](C)(O)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246013 539560498 /nfs/dbraw/zinc/56/04/98/539560498.db2.gz OQYNEMXDFVYZNL-CYBMUJFWSA-N 0 0 293.164 2.838 10 30 CFEERN COc1ccc(/C=C/C(=O)c2ccccn2)c(OC)c1 ZINC000103216040 185816892 /nfs/dbraw/zinc/81/68/92/185816892.db2.gz JEYCXBYUACIDDL-VQHVLOKHSA-N 0 0 269.300 2.995 10 30 CFEERN COC(=O)CCNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092582638 347632902 /nfs/dbraw/zinc/63/29/02/347632902.db2.gz HIHLHTGAHYBNCP-UHFFFAOYSA-N 0 0 289.722 2.735 10 30 CFEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)cc2)nc1 ZINC000092960939 347655114 /nfs/dbraw/zinc/65/51/14/347655114.db2.gz MSQXWPOFARKBSY-CYBMUJFWSA-N 0 0 273.723 2.752 10 30 CFEERN O=[N+]([O-])/N=C1\CCC[C@@H]1Cc1ccc(Cl)nc1 ZINC000103194369 185815043 /nfs/dbraw/zinc/81/50/43/185815043.db2.gz WGZMMJYPHUJLSZ-QFPXSISXSA-N 0 0 253.689 2.710 10 30 CFEERN CC(C)Cn1ccnc(Oc2ccc(C#N)cc2)c1=O ZINC000094131190 347692148 /nfs/dbraw/zinc/69/21/48/347692148.db2.gz XXWTVQGEOLSZSF-UHFFFAOYSA-N 0 0 269.304 2.563 10 30 CFEERN N#Cc1nc2[nH]cc(Br)c2cc1Cl ZINC000095919840 347698722 /nfs/dbraw/zinc/69/87/22/347698722.db2.gz PFRGHWKQLBXNMA-UHFFFAOYSA-N 0 0 256.490 2.850 10 30 CFEERN Cc1cnc(N(C)[C@H](C)CC#N)c(Br)c1 ZINC000097844585 347711120 /nfs/dbraw/zinc/71/11/20/347711120.db2.gz UGEPBRPANGGIJF-SECBINFHSA-N 0 0 268.158 2.891 10 30 CFEERN C=C1O[C@@H](OC(C)C)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000097974475 347711822 /nfs/dbraw/zinc/71/18/22/347711822.db2.gz FFKKRSOJBHBCEP-RWMBFGLXSA-N 0 0 254.326 2.726 10 30 CFEERN CC#CCOc1ncnc(N2C[C@@H](C)C[C@H](C)C2)c1F ZINC000113078126 347766580 /nfs/dbraw/zinc/76/65/80/347766580.db2.gz XVSSMEWAXFOWCI-RYUDHWBXSA-N 0 0 277.343 2.500 10 30 CFEERN CCOC(=O)c1ccccc1-c1ccncc1C#N ZINC000114406972 347771903 /nfs/dbraw/zinc/77/19/03/347771903.db2.gz UKSTWEKMXZBPRW-UHFFFAOYSA-N 0 0 252.273 2.797 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(F)c(N)c1 ZINC000114662912 347774360 /nfs/dbraw/zinc/77/43/60/347774360.db2.gz BKHAMYPTSCXFRM-UHFFFAOYSA-N 0 0 273.223 2.980 10 30 CFEERN N#Cc1cc(F)c(NCC[C@@H]2CCCO2)c(F)c1 ZINC000111142835 347751921 /nfs/dbraw/zinc/75/19/21/347751921.db2.gz AJQXGINMWWWZPB-JTQLQIEISA-N 0 0 252.264 2.817 10 30 CFEERN C[C@](C#N)([C@@H]1CCCC(=O)C1)S(=O)(=O)c1ccccc1 ZINC000117941130 347795249 /nfs/dbraw/zinc/79/52/49/347795249.db2.gz HLHAZGAQVCIUAJ-DOMZBBRYSA-N 0 0 291.372 2.502 10 30 CFEERN COC(=O)c1ccnc(-c2ccc(F)c(C#N)c2)c1 ZINC000115877253 347782851 /nfs/dbraw/zinc/78/28/51/347782851.db2.gz PQJLOLLQBYAIIT-UHFFFAOYSA-N 0 0 256.236 2.546 10 30 CFEERN COC(=O)CCc1ccc(C#Cc2ccccn2)cc1 ZINC000116497032 347787530 /nfs/dbraw/zinc/78/75/30/347787530.db2.gz HYADFSKISBRJSC-UHFFFAOYSA-N 0 0 265.312 2.587 10 30 CFEERN COC(C)(C)CCOS(=O)(=O)c1ccc(C)cc1 ZINC000116752585 347788154 /nfs/dbraw/zinc/78/81/54/347788154.db2.gz LIDDRRXORKZDBY-UHFFFAOYSA-N 0 0 272.366 2.515 10 30 CFEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000126567190 347835944 /nfs/dbraw/zinc/83/59/44/347835944.db2.gz QFGUDHILSCMWEB-WCQYABFASA-N 0 0 265.378 2.830 10 30 CFEERN Cc1cccc(NC(=O)CS)c1Br ZINC000131073946 347875798 /nfs/dbraw/zinc/87/57/98/347875798.db2.gz IZRJQNFEYQROIS-UHFFFAOYSA-N 0 0 260.156 2.626 10 30 CFEERN O=S(=O)(/N=C\c1cccs1)c1cccs1 ZINC000103725889 185856600 /nfs/dbraw/zinc/85/66/00/185856600.db2.gz FDOBAXPLFQXELN-YFHOEESVSA-N 0 0 257.361 2.617 10 30 CFEERN CN[C@](C)(C#N)c1ccc(Br)cc1F ZINC000131935876 347882289 /nfs/dbraw/zinc/88/22/89/347882289.db2.gz FGBYHPPVXHIAAY-SNVBAGLBSA-N 0 0 257.106 2.546 10 30 CFEERN N#CCc1ncc(Br)cc1Br ZINC000135202084 347905118 /nfs/dbraw/zinc/90/51/18/347905118.db2.gz BSCQIMFLFBTPDF-UHFFFAOYSA-N 0 0 275.931 2.673 10 30 CFEERN CCCCCCC[C@H]([C@@H](C)O)n1cnc2c1ncnc2N ZINC000137069968 347911928 /nfs/dbraw/zinc/91/19/28/347911928.db2.gz BSKMVQCZYPAWBC-VXGBXAGGSA-N 0 0 291.399 2.691 10 30 CFEERN CC[C@](C)(O)C#C[C@H](O)c1ccc(SC)cc1 ZINC000138260264 347915654 /nfs/dbraw/zinc/91/56/54/347915654.db2.gz RPYQXVHJQWHTIZ-KBPBESRZSA-N 0 0 250.363 2.606 10 30 CFEERN CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1 ZINC000144348510 347940579 /nfs/dbraw/zinc/94/05/79/347940579.db2.gz PTXNXIDKJDKOKN-UHFFFAOYSA-N 0 0 291.354 2.639 10 30 CFEERN C=CCN(CC=C)C/C(=N\O)c1ccc(F)s1 ZINC000150167430 347955800 /nfs/dbraw/zinc/95/58/00/347955800.db2.gz FOBFYLZEWDVGIC-GXDHUFHOSA-N 0 0 254.330 2.740 10 30 CFEERN CN(C)/C=C1\C(=O)CC[C@H]1c1ccc(F)c(F)c1 ZINC000144949104 347942128 /nfs/dbraw/zinc/94/21/28/347942128.db2.gz WGOMBUKYXDPRJR-DFYQSJSGSA-N 0 0 251.276 2.857 10 30 CFEERN CSc1ccc(C(=O)C#CC2(O)CCCC2)cc1 ZINC000147900232 347948755 /nfs/dbraw/zinc/94/87/55/347948755.db2.gz JHZYTZRWKTUJQV-UHFFFAOYSA-N 0 0 260.358 2.900 10 30 CFEERN C=C(C)[C@@H](NN)c1ccc(Br)c(F)c1 ZINC000158841231 348009457 /nfs/dbraw/zinc/00/94/57/348009457.db2.gz QOXWHSDEKWMHHO-SNVBAGLBSA-N 0 0 259.122 2.669 10 30 CFEERN COc1cc2c(cc1CN[C@@H]1CCC[C@@H]1C#N)O[C@H](C)C2 ZINC000159025489 348010136 /nfs/dbraw/zinc/01/01/36/348010136.db2.gz DWJYXIIOWAYCOR-LALPHHSUSA-N 0 0 286.375 2.800 10 30 CFEERN C[C@@H](CO)Sc1ccc(C#N)cc1Br ZINC000162416621 348030622 /nfs/dbraw/zinc/03/06/22/348030622.db2.gz FFEANZBUKABMPB-ZETCQYMHSA-N 0 0 272.167 2.794 10 30 CFEERN CC#CCNc1ncc(Cl)cc1Br ZINC000162800542 348032044 /nfs/dbraw/zinc/03/20/44/348032044.db2.gz KCMJKFPVRXKZLF-UHFFFAOYSA-N 0 0 259.534 2.933 10 30 CFEERN O=C(c1sccc1Br)C1=CCCO1 ZINC000168366766 348048394 /nfs/dbraw/zinc/04/83/94/348048394.db2.gz BTMZOPMLLUPCQA-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN C=C(Br)CNC(=O)c1cnc(C)cc1Cl ZINC000168248793 348048411 /nfs/dbraw/zinc/04/84/11/348048411.db2.gz IYWNSSNSPYOMLB-UHFFFAOYSA-N 0 0 289.560 2.682 10 30 CFEERN COc1cc(Br)ccc1C(=O)[C@H](C)C#N ZINC000169040869 348050161 /nfs/dbraw/zinc/05/01/61/348050161.db2.gz RBRDNNHHQPVWDH-SSDOTTSWSA-N 0 0 268.110 2.800 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000188329408 348132283 /nfs/dbraw/zinc/13/22/83/348132283.db2.gz OAUGDTZLNNBQPF-KCQAQPDRSA-N 0 0 251.370 2.759 10 30 CFEERN N#CCc1nc(OC(F)(F)F)ccc1Br ZINC000238533031 348247298 /nfs/dbraw/zinc/24/72/98/348247298.db2.gz DVZNHZZTSQRITJ-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C#CCCC(=O)Nc1ccc(F)c(Br)c1 ZINC000236192231 348232120 /nfs/dbraw/zinc/23/21/20/348232120.db2.gz JGQQMPNGJUAUSE-UHFFFAOYSA-N 0 0 270.101 2.940 10 30 CFEERN C#CC(C)(C)Nc1cc2c(cc1F)nc(C)[nH]c2=O ZINC000725262077 539615351 /nfs/dbraw/zinc/61/53/51/539615351.db2.gz UUDKFCITVWWUSL-UHFFFAOYSA-N 0 0 259.284 2.607 10 30 CFEERN C=C[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000304217231 348377621 /nfs/dbraw/zinc/37/76/21/348377621.db2.gz RFURCHIBBMMJIR-JOYOIKCWSA-N 0 0 298.180 2.827 10 30 CFEERN C=C[C@@H](N[C@H](C)c1cccc(Br)c1)C(=O)OC ZINC000304224813 348377951 /nfs/dbraw/zinc/37/79/51/348377951.db2.gz YDHFMEKFRZQDIH-BXKDBHETSA-N 0 0 298.180 2.827 10 30 CFEERN CC(=NO)c1csc(NC(=O)NCc2ccccc2)n1 ZINC000309794376 348407362 /nfs/dbraw/zinc/40/73/62/348407362.db2.gz IGPYFKCBRBUQNT-UHFFFAOYSA-N 0 0 290.348 2.663 10 30 CFEERN N#Cc1cc(N)c(Br)c(C(F)(F)F)c1 ZINC000307363080 348398678 /nfs/dbraw/zinc/39/86/78/348398678.db2.gz JADZRJOQXZKAKH-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN COc1ccc([C@H](C#N)OC)c(Br)c1 ZINC000307576218 348400844 /nfs/dbraw/zinc/40/08/44/348400844.db2.gz JZEMZJAGOXLBBV-JTQLQIEISA-N 0 0 256.099 2.669 10 30 CFEERN COc1ccc([C@@H](C#N)OC)c(Br)c1 ZINC000307576219 348400854 /nfs/dbraw/zinc/40/08/54/348400854.db2.gz JZEMZJAGOXLBBV-SNVBAGLBSA-N 0 0 256.099 2.669 10 30 CFEERN C=CCSCCNC(=O)OCc1ccccc1 ZINC000307636453 348401392 /nfs/dbraw/zinc/40/13/92/348401392.db2.gz WYBDYHYCFLAGEV-UHFFFAOYSA-N 0 0 251.351 2.832 10 30 CFEERN Cc1cc(N[C@@H]2CCc3cc(N)ccc32)cc(C#N)n1 ZINC000308240532 348403793 /nfs/dbraw/zinc/40/37/93/348403793.db2.gz MNTKGQSFVYUGNQ-MRXNPFEDSA-N 0 0 264.332 2.943 10 30 CFEERN N#Cc1cc(C(F)(F)F)cc(C(N)=O)c1C(F)(F)F ZINC000514269393 348640041 /nfs/dbraw/zinc/64/00/41/348640041.db2.gz AXERQWXYHZKEDZ-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#Cc1ccc(/C=C/c2ccc(NC(=O)CO)cc2)cc1 ZINC000584591109 348681331 /nfs/dbraw/zinc/68/13/31/348681331.db2.gz IHGFMJCQKHWGQW-OWOJBTEDSA-N 0 0 278.311 2.659 10 30 CFEERN N#C[C@@H](CC1C=CC=CC=C1)NC(=O)c1ccccc1 ZINC000584592377 348682108 /nfs/dbraw/zinc/68/21/08/348682108.db2.gz BZKWZTLFGLZUID-MRXNPFEDSA-N 0 0 264.328 2.997 10 30 CFEERN CCC[C@](C#N)(C(=O)OCC)c1cccc(OC)c1 ZINC000584595659 348683125 /nfs/dbraw/zinc/68/31/25/348683125.db2.gz WUMLRKHGSXQESK-OAHLLOKOSA-N 0 0 261.321 2.820 10 30 CFEERN Cc1c(N)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 ZINC000584599019 348684988 /nfs/dbraw/zinc/68/49/88/348684988.db2.gz HZNPCLWHDCPTAX-UHFFFAOYSA-N 0 0 280.253 2.713 10 30 CFEERN O[C@H]1CC[C@H](Oc2ncc(C#Cc3ccccc3)cn2)CC1 ZINC000584601576 348685688 /nfs/dbraw/zinc/68/56/88/348685688.db2.gz ZDARAVFHIRROGX-QAQDUYKDSA-N 0 0 294.354 2.559 10 30 CFEERN C[C@@H]1C[C@@H]1C(=O)Nc1cnc(-c2ccc(C#N)c(F)c2)cn1 ZINC000584602052 348686405 /nfs/dbraw/zinc/68/64/05/348686405.db2.gz OIGJHJJQNSBGIJ-SKDRFNHKSA-N 0 0 296.305 2.749 10 30 CFEERN O/N=C1\CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000584605963 348688163 /nfs/dbraw/zinc/68/81/63/348688163.db2.gz TWHWHHQYZPHSHT-FBJMNJBLSA-N 0 0 255.321 2.691 10 30 CFEERN C#Cc1c(F)c(F)c(F)c(F)c1I ZINC000584616706 348690786 /nfs/dbraw/zinc/69/07/86/348690786.db2.gz YBEJUTCNGDAREP-UHFFFAOYSA-N 0 0 299.992 2.829 10 30 CFEERN CCC(/C=C/[C@@](O)(c1ccccc1)C1(C#N)CC1)=C/C(N)=O ZINC000584623965 348693530 /nfs/dbraw/zinc/69/35/30/348693530.db2.gz JFEHKGQJGDHODB-ZNXNKBMXSA-N 0 0 296.370 2.556 10 30 CFEERN CC[C@H](C=O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584630034 348695418 /nfs/dbraw/zinc/69/54/18/348695418.db2.gz XXUBFMADDIZWFY-SKDRFNHKSA-N 0 0 255.701 2.925 10 30 CFEERN CCN(C=NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)CC ZINC000584633070 348696792 /nfs/dbraw/zinc/69/67/92/348696792.db2.gz VREHDFKYXZVQFF-LDADJPATSA-N 0 0 297.358 2.965 10 30 CFEERN N#C[C@H](c1cccnc1)[C@H](CCO)c1cccc([N+](=O)[O-])c1 ZINC000584633661 348697161 /nfs/dbraw/zinc/69/71/61/348697161.db2.gz YRGITAYAIWMVDD-HZPDHXFCSA-N 0 0 297.314 2.763 10 30 CFEERN N#C[C@H](c1cccc(F)c1F)[C@H](CCO)c1cnco1 ZINC000584638662 348699429 /nfs/dbraw/zinc/69/94/29/348699429.db2.gz SQUIAYYAEHEERP-ONGXEEELSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@H]1C(=N)OC2=C([C@H]1c1ccccc1)N1CCC2CC1 ZINC000584660341 348703025 /nfs/dbraw/zinc/70/30/25/348703025.db2.gz YECYKHYJACTTNY-KGLIPLIRSA-N 0 0 279.343 2.855 10 30 CFEERN N#C[C@H]1CCCC[C@@H]1NCc1nc2c(s1)CCC2 ZINC000597199083 350053403 /nfs/dbraw/zinc/05/34/03/350053403.db2.gz RLSHVGLALYEBDO-MNOVXSKESA-N 0 0 261.394 2.804 10 30 CFEERN Cc1nn(C)c(N[C@H](C)Cc2ccccc2)c1C#N ZINC000111350336 186403404 /nfs/dbraw/zinc/40/34/04/186403404.db2.gz LBFBQAVOYVATBZ-LLVKDONJSA-N 0 0 254.337 2.643 10 30 CFEERN N#CC1(CO)CC(Cc2cccc(Br)c2)C1 ZINC000606302077 351261264 /nfs/dbraw/zinc/26/12/64/351261264.db2.gz AEKOFXALSVRDHD-UHFFFAOYSA-N 0 0 280.165 2.904 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000610499275 351573449 /nfs/dbraw/zinc/57/34/49/351573449.db2.gz RDHONBAJOHERQR-SMDDNHRTSA-N 0 0 292.766 2.917 10 30 CFEERN CCCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000124289202 187130961 /nfs/dbraw/zinc/13/09/61/187130961.db2.gz DIKDBWFMTAWRRU-LBPRGKRZSA-N 0 0 291.420 2.500 10 30 CFEERN CCOC(=O)N1CCC(c2cccc(C#N)c2)CC1 ZINC000616619393 352387291 /nfs/dbraw/zinc/38/72/91/352387291.db2.gz LYJJOVVOPKNLOH-UHFFFAOYSA-N 0 0 258.321 2.894 10 30 CFEERN COC(=O)N1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616655497 352400920 /nfs/dbraw/zinc/40/09/20/352400920.db2.gz XIANGFXIYVGPHD-CQSZACIVSA-N 0 0 258.321 2.894 10 30 CFEERN N#Cc1ccc([C@@H]2CNc3ccccc3N2C(N)=O)cc1 ZINC000616685892 352412926 /nfs/dbraw/zinc/41/29/26/352412926.db2.gz YRLOMRMVCWIUQL-HNNXBMFYSA-N 0 0 278.315 2.610 10 30 CFEERN N#Cc1ccccc1[C@@H]1CNc2ccccc2N1C(N)=O ZINC000616685279 352413039 /nfs/dbraw/zinc/41/30/39/352413039.db2.gz SNVIUNNQARAWIW-HNNXBMFYSA-N 0 0 278.315 2.610 10 30 CFEERN N#Cc1ccccc1[C@@H]1CN(C(N)=O)c2ccccc2N1 ZINC000616691996 352415146 /nfs/dbraw/zinc/41/51/46/352415146.db2.gz HRUROQGRYPMEGF-AWEZNQCLSA-N 0 0 278.315 2.610 10 30 CFEERN C=CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000151138095 187947927 /nfs/dbraw/zinc/94/79/27/187947927.db2.gz MVHPQFSXWHRBAH-LLVKDONJSA-N 0 0 272.270 2.645 10 30 CFEERN C=CCN(C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000153786358 188104026 /nfs/dbraw/zinc/10/40/26/188104026.db2.gz QQNTXDCRHWYKRQ-LLVKDONJSA-N 0 0 278.352 2.592 10 30 CFEERN CCC[C@@H](NCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000156580171 188270139 /nfs/dbraw/zinc/27/01/39/188270139.db2.gz IMXBBCCUOGVTMB-CYBMUJFWSA-N 0 0 278.352 2.751 10 30 CFEERN CC(C)c1nnc(CNc2ccc(F)c(C#N)c2)n1C ZINC000170844773 188696619 /nfs/dbraw/zinc/69/66/19/188696619.db2.gz KQUVOHBDGPFXFG-UHFFFAOYSA-N 0 0 273.315 2.561 10 30 CFEERN N#Cc1cc2[nH]nc(Cl)c2c(Br)c1 ZINC000014986146 283115226 /nfs/dbraw/zinc/11/52/26/283115226.db2.gz LNMNHKJZCMENNS-UHFFFAOYSA-N 0 0 256.490 2.850 10 30 CFEERN CN(C)/C=C1\Cc2c(cccc2Br)C1=O ZINC000224049861 540723012 /nfs/dbraw/zinc/72/30/12/540723012.db2.gz MRHCAEVGJBDIIM-BQYQJAHWSA-N 0 0 266.138 2.633 10 30 CFEERN N#Cc1cccc(Cl)c1NCCCC(=O)NC1CC1 ZINC000301379610 200993665 /nfs/dbraw/zinc/99/36/65/200993665.db2.gz TWBJXWRVZDCPDH-UHFFFAOYSA-N 0 0 277.755 2.682 10 30 CFEERN CCOC(=O)c1cccc(Oc2cccc(C#N)n2)c1 ZINC000301864750 201237652 /nfs/dbraw/zinc/23/76/52/201237652.db2.gz UVLCAETZKCGXSU-UHFFFAOYSA-N 0 0 268.272 2.922 10 30 CFEERN CCN(Cc1cccc(F)c1)c1ccc(C#N)nn1 ZINC000301866582 201240535 /nfs/dbraw/zinc/24/05/35/201240535.db2.gz BRGMHYUVNKWLAR-UHFFFAOYSA-N 0 0 256.284 2.514 10 30 CFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000301943037 201269851 /nfs/dbraw/zinc/26/98/51/201269851.db2.gz VWKBWEJRYGXUDF-RKDXNWHRSA-N 0 0 270.258 2.881 10 30 CFEERN CC[C@@H](Nc1ccc(C#N)nn1)c1cccc([N+](=O)[O-])c1 ZINC000301960611 201277677 /nfs/dbraw/zinc/27/76/77/201277677.db2.gz MIYLPBLBPFWZMJ-CYBMUJFWSA-N 0 0 283.291 2.820 10 30 CFEERN N#Cc1ccc(Oc2cccc(Cl)c2C#N)nn1 ZINC000302015597 201299490 /nfs/dbraw/zinc/29/94/90/201299490.db2.gz YFNYRZMFAKTQEV-UHFFFAOYSA-N 0 0 256.652 2.666 10 30 CFEERN Cc1nc(CN(C)c2cc(Cl)ccc2C#N)no1 ZINC000302176250 201383318 /nfs/dbraw/zinc/38/33/18/201383318.db2.gz MZWOXVXLWPSNOG-UHFFFAOYSA-N 0 0 262.700 2.540 10 30 CFEERN CC(C)=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962280 541477855 /nfs/dbraw/zinc/47/78/55/541477855.db2.gz BHKGHHFLDJECHG-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000685962792 541478473 /nfs/dbraw/zinc/47/84/73/541478473.db2.gz UHCLYSNTACEZRU-PHIMTYICSA-N 0 0 253.342 2.825 10 30 CFEERN C/C=C/C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000685959567 541474470 /nfs/dbraw/zinc/47/44/70/541474470.db2.gz ZZPMYHWFGHJQPL-HOGLGZINSA-N 0 0 253.342 2.825 10 30 CFEERN N#Cc1nc(NCc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000236150828 189832718 /nfs/dbraw/zinc/83/27/18/189832718.db2.gz HQVFAAQMYWQGNT-UHFFFAOYSA-N 0 0 290.229 2.752 10 30 CFEERN C[C@@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C ZINC000000007228 371508006 /nfs/dbraw/zinc/50/80/06/371508006.db2.gz VMIYRBIVFIYWKP-SECBINFHSA-N 0 0 262.382 2.895 10 30 CFEERN Cn1c(=O)c(/C=N/Cc2ccccc2)c([O-])c2ccccc21 ZINC000000068326 371521727 /nfs/dbraw/zinc/52/17/27/371521727.db2.gz SQRSRRNCBJJYLN-XDHOZWIPSA-N 0 0 292.338 2.863 10 30 CFEERN C[C@@H](N=C(NC#N)Nc1ccncc1)c1ccccc1 ZINC000001843826 371708085 /nfs/dbraw/zinc/70/80/85/371708085.db2.gz VBLIIDRTXNNNRX-GFCCVEGCSA-N 0 0 265.320 2.681 10 30 CFEERN Fc1ccc(C#CCO[C@@H]2CCCCO2)c(F)c1 ZINC000002388126 371726057 /nfs/dbraw/zinc/72/60/57/371726057.db2.gz NOKFQAFJMJGYLE-CQSZACIVSA-N 0 0 252.260 2.860 10 30 CFEERN COc1ccccc1NC(=O)NC1(C#N)CCCC1 ZINC000002640244 371743537 /nfs/dbraw/zinc/74/35/37/371743537.db2.gz PGVVHYAUQNKYEQ-UHFFFAOYSA-N 0 0 259.309 2.653 10 30 CFEERN Nc1ccc(NC=C2C(=O)c3ccccc3C2=O)cc1 ZINC000003169053 371777336 /nfs/dbraw/zinc/77/73/36/371777336.db2.gz RIBYRUIVIKCUFD-UHFFFAOYSA-N 0 0 264.284 2.644 10 30 CFEERN NC(=S)N=NCc1cc(C#Cc2ccccc2)cs1 ZINC000013474204 372027873 /nfs/dbraw/zinc/02/78/73/372027873.db2.gz AUCIRDVYWSUJGC-CXUHLZMHSA-N 0 0 285.397 2.726 10 30 CFEERN CCCCOc1ccc([C@@H](C)C(=O)N(C)O)cc1 ZINC000026254198 372316734 /nfs/dbraw/zinc/31/67/34/372316734.db2.gz QRRKPIYJTAXVGN-LLVKDONJSA-N 0 0 251.326 2.817 10 30 CFEERN C=CCn1c(-c2cc3ccccc3o2)nn(CO)c1=S ZINC000027517407 372340682 /nfs/dbraw/zinc/34/06/82/372340682.db2.gz BLDYQJNUDGDRRQ-UHFFFAOYSA-N 0 0 287.344 2.963 10 30 CFEERN C=CC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC(C)(C)C ZINC000034370834 372508678 /nfs/dbraw/zinc/50/86/78/372508678.db2.gz VGDATZBYQWJPSE-QWRGUYRKSA-N 0 0 269.341 2.504 10 30 CFEERN N#Cc1ccccc1OCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000042288033 372899715 /nfs/dbraw/zinc/89/97/15/372899715.db2.gz JWLQRGSUYMAYAR-RDJZCZTQSA-N 0 0 286.375 2.580 10 30 CFEERN CCOC(OCC)C(=O)C/C=C/C#CC(C)(C)C ZINC000043875673 372997471 /nfs/dbraw/zinc/99/74/71/372997471.db2.gz PYHMBPIIVVNVPI-CMDGGOBGSA-N 0 0 252.354 2.950 10 30 CFEERN C[C@@H](C#N)CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000047979445 373137584 /nfs/dbraw/zinc/13/75/84/373137584.db2.gz QVAPYTRGUDKWED-QWHCGFSZSA-N 0 0 254.337 2.683 10 30 CFEERN C=CCC(=O)N(C)Cc1ccc(Br)cc1 ZINC000054400251 373525486 /nfs/dbraw/zinc/52/54/86/373525486.db2.gz UIQQXKLEOHCSBY-UHFFFAOYSA-N 0 0 268.154 2.984 10 30 CFEERN N#Cc1cc(F)c(NC2CCC(O)CC2)c(F)c1 ZINC000060320106 373691013 /nfs/dbraw/zinc/69/10/13/373691013.db2.gz ZQIPYBZVHSLLBQ-UHFFFAOYSA-N 0 0 252.264 2.552 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1 ZINC000061888414 373733993 /nfs/dbraw/zinc/73/39/93/373733993.db2.gz RNPHMSKLFUAVAT-YUMQZZPRSA-N 0 0 254.742 2.824 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)o1 ZINC000061891145 373736576 /nfs/dbraw/zinc/73/65/76/373736576.db2.gz HQLXHVUOSMFRDN-WPRPVWTQSA-N 0 0 269.142 2.824 10 30 CFEERN CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(C)C ZINC000070432115 374173010 /nfs/dbraw/zinc/17/30/10/374173010.db2.gz FVNDVWXAMPVAQI-ZDUSSCGKSA-N 0 0 280.393 2.580 10 30 CFEERN C=CCOC(=O)c1nn(-c2ccc(C)cc2C)nc1C ZINC000073635684 374360421 /nfs/dbraw/zinc/36/04/21/374360421.db2.gz METWKCMITHEZKO-UHFFFAOYSA-N 0 0 271.320 2.535 10 30 CFEERN C#CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 ZINC000073640158 374362575 /nfs/dbraw/zinc/36/25/75/374362575.db2.gz KOTUXBJGGZOUBR-UHFFFAOYSA-N 0 0 285.255 2.953 10 30 CFEERN CCN(CC)c1nc(-c2ccccc2)ncc1C#N ZINC000090450290 375015475 /nfs/dbraw/zinc/01/54/75/375015475.db2.gz URJPFRHRGVHYSF-UHFFFAOYSA-N 0 0 252.321 2.861 10 30 CFEERN N#CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109095280 375819824 /nfs/dbraw/zinc/81/98/24/375819824.db2.gz GUFCETIHVRNGQB-OLZOCXBDSA-N 0 0 290.313 2.830 10 30 CFEERN C=CCOc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126945428 377254017 /nfs/dbraw/zinc/25/40/17/377254017.db2.gz UQCIEDXUPSSAGZ-ZIAGYGMSSA-N 0 0 261.365 2.861 10 30 CFEERN C=CCCOCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000127058573 377263379 /nfs/dbraw/zinc/26/33/79/377263379.db2.gz ZKODDHWMZJVKEG-ZDUSSCGKSA-N 0 0 278.352 2.719 10 30 CFEERN C=CCCS(=O)(=O)N[C@@H]1CCCc2ccccc21 ZINC000129297719 377410183 /nfs/dbraw/zinc/41/01/83/377410183.db2.gz IXUNSZKVLUZKRG-CQSZACIVSA-N 0 0 265.378 2.560 10 30 CFEERN N#Cc1cc(Br)ccc1N1CC[C@H](CCO)C1 ZINC000130454966 377560805 /nfs/dbraw/zinc/56/08/05/377560805.db2.gz QTGRHLGSQMGFJV-SNVBAGLBSA-N 0 0 295.180 2.529 10 30 CFEERN Cc1cc(NCC2(CO)CCCC2)c(C#N)c(C)n1 ZINC000135104812 378083575 /nfs/dbraw/zinc/08/35/75/378083575.db2.gz WOQJHDBJWCGFED-UHFFFAOYSA-N 0 0 259.353 2.535 10 30 CFEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000135025692 378074866 /nfs/dbraw/zinc/07/48/66/378074866.db2.gz VNVLNIVDAUQLOV-ZBFHGGJFSA-N 0 0 275.396 2.957 10 30 CFEERN N#Cc1nc(Cc2ccccc2F)n2ccccc12 ZINC000149300600 378264069 /nfs/dbraw/zinc/26/40/69/378264069.db2.gz LNSKZAPAOQIRBH-UHFFFAOYSA-N 0 0 251.264 2.936 10 30 CFEERN Cc1ccc(S(=O)(=O)OCC[C@H]2CCCCO2)cc1 ZINC000143078344 378243097 /nfs/dbraw/zinc/24/30/97/378243097.db2.gz ARLMEMATTRYURD-CYBMUJFWSA-N 0 0 284.377 2.660 10 30 CFEERN Cc1nnc(N[C@@H]2CCN(c3ccccc3)C2)c(C#N)c1C ZINC000264357100 383730511 /nfs/dbraw/zinc/73/05/11/383730511.db2.gz CUVPTBPTTNOIQA-CQSZACIVSA-N 0 0 293.374 2.656 10 30 CFEERN Fc1ccc(C#CCN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000157270747 378652312 /nfs/dbraw/zinc/65/23/12/378652312.db2.gz DKFRWMGXVJITES-GOSISDBHSA-N 0 0 296.345 2.726 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCC(Cn2cccn2)CC1 ZINC000160092174 378748781 /nfs/dbraw/zinc/74/87/81/378748781.db2.gz DDFJULLUJVTNLE-UHFFFAOYSA-N 0 0 298.365 2.806 10 30 CFEERN C=C(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000161032733 378815603 /nfs/dbraw/zinc/81/56/03/378815603.db2.gz CCMZVFYINZBFEU-GHMZBOCLSA-N 0 0 251.276 2.761 10 30 CFEERN C=CCCC(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000161347463 378840930 /nfs/dbraw/zinc/84/09/30/378840930.db2.gz RUPMBAXTYUQPSX-LLVKDONJSA-N 0 0 255.358 2.579 10 30 CFEERN CC(C)n1nnnc1CSCCCC(C)(C)C#N ZINC000161928428 378882024 /nfs/dbraw/zinc/88/20/24/378882024.db2.gz ZJTLCFXTQRHXTP-UHFFFAOYSA-N 0 0 267.402 2.817 10 30 CFEERN N#Cc1ccc(C(=O)N2CCC(c3nccs3)CC2)o1 ZINC000334249452 378981695 /nfs/dbraw/zinc/98/16/95/378981695.db2.gz ZCRJFSGACGBNJQ-UHFFFAOYSA-N 0 0 287.344 2.628 10 30 CFEERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)cn1 ZINC000171449132 379312168 /nfs/dbraw/zinc/31/21/68/379312168.db2.gz SVBSREKJTQJPRO-OAHLLOKOSA-N 0 0 295.346 2.661 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2cnccc21 ZINC000336080258 380262539 /nfs/dbraw/zinc/26/25/39/380262539.db2.gz FGBFLKUTBSGFEK-NHYWBVRUSA-N 0 0 265.316 2.657 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000182316321 381059473 /nfs/dbraw/zinc/05/94/73/381059473.db2.gz SVZPGNJZWGUUKI-RISCZKNCSA-N 0 0 257.337 2.523 10 30 CFEERN C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000359672153 381546016 /nfs/dbraw/zinc/54/60/16/381546016.db2.gz JVZCXFXBNDCBFO-HIFRSBDPSA-N 0 0 270.332 2.673 10 30 CFEERN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000300086238 382056965 /nfs/dbraw/zinc/05/69/65/382056965.db2.gz DRYMSIMSARUVED-NXEZZACHSA-N 0 0 260.297 2.852 10 30 CFEERN CCS[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000300421956 382064301 /nfs/dbraw/zinc/06/43/01/382064301.db2.gz CZDUEPCWLAWGOA-BXKDBHETSA-N 0 0 292.364 2.948 10 30 CFEERN C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCOC[C@H]1C ZINC000301268973 382129513 /nfs/dbraw/zinc/12/95/13/382129513.db2.gz JAEXKKVLRRIHDC-NWDGAFQWSA-N 0 0 293.798 2.733 10 30 CFEERN N#Cc1c(F)cccc1C(=O)N[C@H]1COc2ccccc21 ZINC000187273459 382142798 /nfs/dbraw/zinc/14/27/98/382142798.db2.gz DLGDHMPDAFKLBN-AWEZNQCLSA-N 0 0 282.274 2.561 10 30 CFEERN CSC[C@@H](C)N(C)c1ccc(Cl)c(C#N)n1 ZINC000301330348 382150540 /nfs/dbraw/zinc/15/05/40/382150540.db2.gz KVUPUNSAORNNDO-MRVPVSSYSA-N 0 0 255.774 2.794 10 30 CFEERN C=CCO[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302154352 382210174 /nfs/dbraw/zinc/21/01/74/382210174.db2.gz MLNSQMSYBGLNEH-LBPRGKRZSA-N 0 0 262.309 2.685 10 30 CFEERN N#Cc1ccnc(Oc2ccc3c(c2)CCC3=O)c1[N+](=O)[O-] ZINC000302441518 382250895 /nfs/dbraw/zinc/25/08/95/382250895.db2.gz AJOPOANAKVGZLF-UHFFFAOYSA-N 0 0 295.254 2.783 10 30 CFEERN CO[C@H]1CC[C@H](Nc2cc(C#N)ccc2C(C)=O)C1 ZINC000302742050 382308177 /nfs/dbraw/zinc/30/81/77/382308177.db2.gz DFNAVXOVHFZZQL-STQMWFEESA-N 0 0 258.321 2.740 10 30 CFEERN CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302744305 382309100 /nfs/dbraw/zinc/30/91/00/382309100.db2.gz SGQIJJJAGYZRGB-UHFFFAOYSA-N 0 0 298.258 2.612 10 30 CFEERN COCc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302764786 382313810 /nfs/dbraw/zinc/31/38/10/382313810.db2.gz LGVSXYUNULVNFU-UHFFFAOYSA-N 0 0 298.302 2.620 10 30 CFEERN COc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302718188 382301239 /nfs/dbraw/zinc/30/12/39/382301239.db2.gz KHCVFXYRWCFJEG-UHFFFAOYSA-N 0 0 296.242 2.534 10 30 CFEERN C#CCOc1c(N)cc(Br)cc1Cl ZINC000306651845 382459871 /nfs/dbraw/zinc/45/98/71/382459871.db2.gz IDFAHPGQXVHRBI-UHFFFAOYSA-N 0 0 260.518 2.697 10 30 CFEERN C#CCNc1cc(F)c(I)c(F)c1 ZINC000306950394 382462363 /nfs/dbraw/zinc/46/23/63/382462363.db2.gz YUMNZVXFZYYPKX-UHFFFAOYSA-N 0 0 293.054 2.615 10 30 CFEERN C=C(C)[C@@H](O)c1sccc1I ZINC000307220631 382464543 /nfs/dbraw/zinc/46/45/43/382464543.db2.gz XCXOOCNHZPCJJX-SSDOTTSWSA-N 0 0 280.130 2.962 10 30 CFEERN C=C(C)[C@H](O)c1sccc1I ZINC000307220632 382464663 /nfs/dbraw/zinc/46/46/63/382464663.db2.gz XCXOOCNHZPCJJX-ZETCQYMHSA-N 0 0 280.130 2.962 10 30 CFEERN Cc1cc(CC#N)c(Br)c([N+](=O)[O-])c1 ZINC000307625008 382468331 /nfs/dbraw/zinc/46/83/31/382468331.db2.gz OTRZDQIWRPNSKL-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN C=CCC1(C(=O)N2CCC[C@H](NC(=O)CCC)C2)CCC1 ZINC000190970686 382686824 /nfs/dbraw/zinc/68/68/24/382686824.db2.gz DVFXINMIBLOCJE-AWEZNQCLSA-N 0 0 292.423 2.640 10 30 CFEERN CCn1cc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)cn1 ZINC000190782194 382680376 /nfs/dbraw/zinc/68/03/76/382680376.db2.gz AJCPGGJZOQVAES-HNNXBMFYSA-N 0 0 290.411 2.606 10 30 CFEERN C#CCCCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000192069292 382704609 /nfs/dbraw/zinc/70/46/09/382704609.db2.gz CDZQNQAYASSIHF-AWEZNQCLSA-N 0 0 273.380 2.504 10 30 CFEERN 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382768974 /nfs/dbraw/zinc/76/89/74/382768974.db2.gz WRSGDCGRDGJCAD-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)Cc1c(C)ccc(C#N)c1C(F)(F)F ZINC000575395257 382769010 /nfs/dbraw/zinc/76/90/10/382769010.db2.gz UXKWRBSINSVSQC-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575395403 382769021 /nfs/dbraw/zinc/76/90/21/382769021.db2.gz BJELZQAIXKWUOX-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN N#CCc1ccc(C(F)(F)F)c(OC(F)F)n1 ZINC000575396818 382769102 /nfs/dbraw/zinc/76/91/02/382769102.db2.gz CFKIMHDNRXMKSJ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1cncc(OC(F)F)c1C(F)(F)F ZINC000575396935 382769126 /nfs/dbraw/zinc/76/91/26/382769126.db2.gz WHCVSVWDKRDAQU-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CC1(C)[C@@H]2C[C@H]1[C@](C)(O)/C(=N\Cc1cccnc1)C2 ZINC000575417824 382770232 /nfs/dbraw/zinc/77/02/32/382770232.db2.gz WTPZHVGWFTXKIG-ZXKLGAKNSA-N 0 0 258.365 2.840 10 30 CFEERN COc1ccc(C(=O)Cc2ccc(C#N)cc2)cc1 ZINC000196044493 382770941 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385128472 /nfs/dbraw/zinc/12/84/72/385128472.db2.gz JCASJBZHOKTYAR-UHFFFAOYSA-N 0 0 281.421 2.932 10 30 CFEERN C#Cc1cccc(N2C(=O)[C@@H]3C[C@H](C)CC[C@@H]3C2=O)c1 ZINC000004377601 393457882 /nfs/dbraw/zinc/45/78/82/393457882.db2.gz CZBVMUVONLBKJE-BYCMXARLSA-N 0 0 267.328 2.594 10 30 CFEERN Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)c(C#N)c(C)n1 ZINC000301948075 393483828 /nfs/dbraw/zinc/48/38/28/393483828.db2.gz HULOMHPHDRKYIA-GHMZBOCLSA-N 0 0 259.353 2.938 10 30 CFEERN CCC[C@H]1CN(c2cc(C)nc(C)c2C#N)CCO1 ZINC000301832745 393479111 /nfs/dbraw/zinc/47/91/11/393479111.db2.gz JIXWHBFOJCSVLE-ZDUSSCGKSA-N 0 0 259.353 2.575 10 30 CFEERN C=CCCC[C@@H](C)Nc1nn2c(nc(CC)cc2=O)s1 ZINC000301997589 393485212 /nfs/dbraw/zinc/48/52/12/393485212.db2.gz IBCGNSPJBKWSPL-SNVBAGLBSA-N 0 0 292.408 2.870 10 30 CFEERN CCOc1cc(/C=N/O)ccc1OCc1ccccn1 ZINC000020176040 393485430 /nfs/dbraw/zinc/48/54/30/393485430.db2.gz QWRVODGKQZWFQS-LICLKQGHSA-N 0 0 272.304 2.867 10 30 CFEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](CC)CC#N ZINC000187897902 393559353 /nfs/dbraw/zinc/55/93/53/393559353.db2.gz MRSDVBOBRPLLIZ-RYUDHWBXSA-N 0 0 298.383 2.915 10 30 CFEERN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000335753993 393697963 /nfs/dbraw/zinc/69/79/63/393697963.db2.gz FNAZXJRCXBAODW-WDEREUQCSA-N 0 0 261.325 2.529 10 30 CFEERN Cc1ccccc1[C@H](C)NC(=O)c1ccnc(C#N)c1 ZINC000195030088 393728404 /nfs/dbraw/zinc/72/84/04/393728404.db2.gz IQNQISLEFWVLPV-LBPRGKRZSA-N 0 0 265.316 2.753 10 30 CFEERN CCc1ccc([C@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000080941957 393729242 /nfs/dbraw/zinc/72/92/42/393729242.db2.gz WJXRWAPSUOCZMG-LBPRGKRZSA-N 0 0 281.359 2.950 10 30 CFEERN C=C(C)c1ncc2n1CCN(Cc1ccccc1)C2 ZINC000089195623 393765716 /nfs/dbraw/zinc/76/57/16/393765716.db2.gz NNYWQUWGXCDDGW-UHFFFAOYSA-N 0 0 253.349 2.932 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1Cl ZINC000093655731 393805000 /nfs/dbraw/zinc/80/50/00/393805000.db2.gz FWNZGASATWJJGW-KWQFWETISA-N 0 0 266.703 2.901 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 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C=C(C)C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405803119 543024492 /nfs/dbraw/zinc/02/44/92/543024492.db2.gz QFWAPWRNGQFWHB-QWRGUYRKSA-N 0 0 253.342 2.825 10 30 CFEERN CC(C)(C)C#CCC(=O)CNC(=O)OCc1ccccc1 ZINC000405916328 543026103 /nfs/dbraw/zinc/02/61/03/543026103.db2.gz YWJLJAMIZNSJMM-UHFFFAOYSA-N 0 0 287.359 2.922 10 30 CFEERN C=C(C)C(=O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406044183 543029576 /nfs/dbraw/zinc/02/95/76/543029576.db2.gz QVCZNLDLLDERNO-QWRGUYRKSA-N 0 0 251.326 2.601 10 30 CFEERN C=C(Br)CCNC(=O)OC(C)(C)C ZINC000584641729 397586042 /nfs/dbraw/zinc/58/60/42/397586042.db2.gz PCCNPNKAMHYZDZ-UHFFFAOYSA-N 0 0 250.136 2.810 10 30 CFEERN Cc1cc(NCC2C[C@@H](C)O[C@H](C)C2)cc(C#N)n1 ZINC000343060183 154099493 /nfs/dbraw/zinc/09/94/93/154099493.db2.gz JGQMZJWVAXGEGG-VXGBXAGGSA-N 0 0 259.353 2.877 10 30 CFEERN O=[N+]([O-])c1cccc(NN=Cc2ccccc2O)c1 ZINC000004926114 170041792 /nfs/dbraw/zinc/04/17/92/170041792.db2.gz HZUZBVMYLSEFDR-NTEUORMPSA-N 0 0 257.249 2.746 10 30 CFEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000005108898 170066811 /nfs/dbraw/zinc/06/68/11/170066811.db2.gz RWCPVSDEWBEKRK-ZENOOKHLSA-N 0 0 286.375 2.878 10 30 CFEERN COc1ccc2nc(N(CCC#N)CCC#N)sc2c1 ZINC000005361428 170089615 /nfs/dbraw/zinc/08/96/15/170089615.db2.gz OKVPUUYONPZIEG-UHFFFAOYSA-N 0 0 286.360 2.939 10 30 CFEERN COc1cccc(-c2ccc(SCC#N)nn2)c1 ZINC000005410622 170095315 /nfs/dbraw/zinc/09/53/15/170095315.db2.gz RQGHYROJNMGWME-UHFFFAOYSA-N 0 0 257.318 2.768 10 30 CFEERN COc1ccc(/C=N/N2[C@@H](C)CCC[C@@H]2C)cc1O ZINC000005505523 170105461 /nfs/dbraw/zinc/10/54/61/170105461.db2.gz IAZUOUDQUNLAAR-ATARQRRYSA-N 0 0 262.353 2.998 10 30 CFEERN C/C(=N/NC(=S)Nc1ccccc1)c1cccc(N)c1 ZINC000005816832 170142745 /nfs/dbraw/zinc/14/27/45/170142745.db2.gz HEQFOZHCGYQGSY-WQRHYEAKSA-N 0 0 284.388 2.979 10 30 CFEERN CCOC(=O)C1=C(c2ccccc2)O[C@H](CC)[C@H](C)C1=O ZINC000005923480 170156145 /nfs/dbraw/zinc/15/61/45/170156145.db2.gz JIIDXWVQFJHIRX-WCQYABFASA-N 0 0 288.343 2.975 10 30 CFEERN CCOC(=O)C1=C(c2ccccc2)O[C@@H](CC)[C@@H](C)C1=O ZINC000005954597 170162082 /nfs/dbraw/zinc/16/20/82/170162082.db2.gz JIIDXWVQFJHIRX-YPMHNXCESA-N 0 0 288.343 2.975 10 30 CFEERN Clc1ccc2nsnc2c1NC1=NCCS1 ZINC000006091802 170175240 /nfs/dbraw/zinc/17/52/40/170175240.db2.gz NQIXPUJMLLZVJT-UHFFFAOYSA-N 0 0 270.770 2.669 10 30 CFEERN COC(=O)/C(=N/Nc1cccc(Cl)c1)N1CCCCC1 ZINC000007060726 170265749 /nfs/dbraw/zinc/26/57/49/170265749.db2.gz PUNGQDUZXHOLGE-LGMDPLHJSA-N 0 0 295.770 2.724 10 30 CFEERN C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cc2)CCC[C@@H]1C ZINC000007377370 170280228 /nfs/dbraw/zinc/28/02/28/170280228.db2.gz NPMLIZFUZREJFF-YWPYICTPSA-N 0 0 292.404 2.661 10 30 CFEERN C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)N1CCCC1 ZINC000007856994 170305215 /nfs/dbraw/zinc/30/52/15/170305215.db2.gz WQADWYJJWFZMBP-SNVBAGLBSA-N 0 0 278.739 2.601 10 30 CFEERN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccco1 ZINC000008197618 170323776 /nfs/dbraw/zinc/32/37/76/170323776.db2.gz YQTYIVUWMQEJDT-LBPRGKRZSA-N 0 0 283.331 2.610 10 30 CFEERN C=C(C)C(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000008909203 170358623 /nfs/dbraw/zinc/35/86/23/170358623.db2.gz BVCNUEHIAQBEHU-UHFFFAOYSA-N 0 0 287.344 2.910 10 30 CFEERN N#Cc1c(NC(=O)c2ccccc2N)sc2c1CCC2 ZINC000010168128 170399796 /nfs/dbraw/zinc/39/97/96/170399796.db2.gz UVLOTRSBIOHEPG-UHFFFAOYSA-N 0 0 283.356 2.943 10 30 CFEERN N#C[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000011894445 170456024 /nfs/dbraw/zinc/45/60/24/170456024.db2.gz CORLQWWSVWPELR-SSDOTTSWSA-N 0 0 255.104 2.870 10 30 CFEERN N/N=C(/C(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000016400110 170696128 /nfs/dbraw/zinc/69/61/28/170696128.db2.gz MELKWOWXSBYNPS-QGOAFFKASA-N 0 0 260.243 2.511 10 30 CFEERN N/C(=N\O)c1ccc(COc2cccc(F)c2)c(F)c1 ZINC000019436311 170800092 /nfs/dbraw/zinc/80/00/92/170800092.db2.gz OCROUCWFYSXOBS-UHFFFAOYSA-N 0 0 278.258 2.638 10 30 CFEERN CCN(c1cc(/C(N)=N/O)ccn1)c1ccccc1C ZINC000019486403 170812480 /nfs/dbraw/zinc/81/24/80/170812480.db2.gz BYCQUWSKQOXKQO-UHFFFAOYSA-N 0 0 270.336 2.643 10 30 CFEERN 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171275087 /nfs/dbraw/zinc/27/50/87/171275087.db2.gz KVQNCGHPZNHQQA-LHHJGKSTSA-N 0 0 283.118 2.523 10 30 CFEERN CCC[C@H](C)NC(=O)COc1ccc(C#N)cc1OCC ZINC000021743458 171321437 /nfs/dbraw/zinc/32/14/37/171321437.db2.gz NAOGYUWCYAMQTO-LBPRGKRZSA-N 0 0 290.363 2.641 10 30 CFEERN Cc1cccc(N)c1C(=O)Nc1ccc(C#N)cc1 ZINC000022174399 171369809 /nfs/dbraw/zinc/36/98/09/171369809.db2.gz YKVLCBRVBVEODP-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN C[C@H](NNC(=S)N(C)C)c1nccc2ccccc21 ZINC000027992968 171542991 /nfs/dbraw/zinc/54/29/91/171542991.db2.gz NUWUZHOZAGKMQH-JTQLQIEISA-N 0 0 274.393 2.648 10 30 CFEERN CC(C)C[C@@H](C)N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000028046319 171546140 /nfs/dbraw/zinc/54/61/40/171546140.db2.gz UFHDHUMSKVNTAU-GFCCVEGCSA-N 0 0 280.393 2.613 10 30 CFEERN C=C(C(=O)c1ccc(Cl)cc1)n1ccccc1=O ZINC000029319219 171593717 /nfs/dbraw/zinc/59/37/17/171593717.db2.gz CSEDGWVKRDWZEH-UHFFFAOYSA-N 0 0 259.692 2.855 10 30 CFEERN CCOc1ccc(CN=Nc2nc(C)cs2)cc1 ZINC000033377212 171787510 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2.979 10 30 CFEERN Cc1ccccc1OCc1sccc1C#CCO ZINC000043682534 175091373 /nfs/dbraw/zinc/09/13/73/175091373.db2.gz BEUHPTVYDWEJFF-UHFFFAOYSA-N 0 0 258.342 2.979 10 30 CFEERN OCC#Cc1ccsc1COC1CCCCC1 ZINC000043682412 175091400 /nfs/dbraw/zinc/09/14/00/175091400.db2.gz CNDCGWNGHJGHEF-UHFFFAOYSA-N 0 0 250.363 2.941 10 30 CFEERN N#Cc1ccccc1OCc1ccc(C#CCO)s1 ZINC000043682770 175091417 /nfs/dbraw/zinc/09/14/17/175091417.db2.gz USPHPTMBCYFLJY-UHFFFAOYSA-N 0 0 269.325 2.543 10 30 CFEERN CN(Cc1cscn1)Cc1cc(C#CCCO)cs1 ZINC000043698802 175096569 /nfs/dbraw/zinc/09/65/69/175096569.db2.gz PNKFYHVWMIROJY-UHFFFAOYSA-N 0 0 292.429 2.571 10 30 CFEERN OCC#Cc1csc(COc2cccc(F)c2)c1 ZINC000043699041 175096969 /nfs/dbraw/zinc/09/69/69/175096969.db2.gz MOWGRKLTVFCGHY-UHFFFAOYSA-N 0 0 262.305 2.810 10 30 CFEERN Cc1nnc(SCc2cc(C#CCCO)cs2)s1 ZINC000043699716 175097679 /nfs/dbraw/zinc/09/76/79/175097679.db2.gz LVJBZICGMQZLTB-UHFFFAOYSA-N 0 0 296.442 2.934 10 30 CFEERN CC(C)OC(=O)N[C@H](C)c1ccc(C#CCCO)cc1 ZINC000044240996 175155857 /nfs/dbraw/zinc/15/58/57/175155857.db2.gz JAUCVJQAXAVZIX-CYBMUJFWSA-N 0 0 275.348 2.616 10 30 CFEERN CC(C)OC(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000044241034 175155877 /nfs/dbraw/zinc/15/58/77/175155877.db2.gz RBJCKCFOQSLRLO-CYBMUJFWSA-N 0 0 275.348 2.616 10 30 CFEERN CCN(C[C@H](C)C#N)c1ccc(Br)cn1 ZINC000044413305 175172404 /nfs/dbraw/zinc/17/24/04/175172404.db2.gz NEKPJZWUEOAJFR-SECBINFHSA-N 0 0 268.158 2.830 10 30 CFEERN CC(C)N(CC(F)(F)F)C(=O)C1(C#N)CCCC1 ZINC000044767267 175249921 /nfs/dbraw/zinc/24/99/21/175249921.db2.gz UDDIYEKFSFFSPP-UHFFFAOYSA-N 0 0 262.275 2.870 10 30 CFEERN CC1CCN(C(=O)[C@H](C#N)Cc2ccccc2)CC1 ZINC000044808601 175257475 /nfs/dbraw/zinc/25/74/75/175257475.db2.gz RCFVQSZEJUMRBX-HNNXBMFYSA-N 0 0 256.349 2.627 10 30 CFEERN N#C[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044808624 175257582 /nfs/dbraw/zinc/25/75/82/175257582.db2.gz SWYOWQJJTWTDQP-CQSZACIVSA-N 0 0 256.349 2.818 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1c(N)cccc1Cl ZINC000045166439 175318975 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/nfs/dbraw/zinc/58/67/13/261586713.db2.gz YUUKANWZJQRMBH-CABCVRRESA-N 0 0 286.375 2.651 10 30 CFEERN CCCCCCCCCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188863613 262162596 /nfs/dbraw/zinc/16/25/96/262162596.db2.gz CJGVJKGYMKRVDC-CQSZACIVSA-N 0 0 282.428 2.864 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Br)cn1 ZINC000069938823 262381529 /nfs/dbraw/zinc/38/15/29/262381529.db2.gz GYWVEZRTIDPGPI-CABZTGNLSA-N 0 0 280.169 2.626 10 30 CFEERN CCCOc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061888551 262405090 /nfs/dbraw/zinc/40/50/90/262405090.db2.gz LECXZFKTDBNCPY-UKRRQHHQSA-N 0 0 272.348 2.897 10 30 CFEERN C#CCCCCC(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000120244899 263284363 /nfs/dbraw/zinc/28/43/63/263284363.db2.gz FTAKDGFSIYQAHM-UHFFFAOYSA-N 0 0 289.379 2.711 10 30 CFEERN O=C(C[C@H]1CCCCC(=O)N1)NCC1(CO)CCCC1 ZINC000328675519 263837665 /nfs/dbraw/zinc/83/76/65/263837665.db2.gz QWHXFHBJAUZYHF-GFCCVEGCSA-N 0 0 282.384 2.785 10 30 CFEERN C=CCCCCCN(C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000128727212 264303253 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/nfs/dbraw/zinc/22/35/53/280223553.db2.gz KGNWEJHEZJJGJJ-UHFFFAOYSA-N 0 0 265.238 2.965 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)o1 ZINC000070159055 280482424 /nfs/dbraw/zinc/48/24/24/280482424.db2.gz JGHPKWRQRJDBJY-GFCCVEGCSA-N 0 0 268.316 2.880 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000168119418 294888304 /nfs/dbraw/zinc/88/83/04/294888304.db2.gz RHCAWUIFILEAMZ-LSDHHAIUSA-N 0 0 287.319 2.614 10 30 CFEERN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)o1 ZINC000334274828 294897376 /nfs/dbraw/zinc/89/73/76/294897376.db2.gz QOFNWJOPUKARAV-NSHDSACASA-N 0 0 287.344 2.975 10 30 CFEERN N#Cc1ccc(N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000094593094 294927977 /nfs/dbraw/zinc/92/79/77/294927977.db2.gz SVPGANVXZNQGBE-ZFWWWQNUSA-N 0 0 287.319 2.614 10 30 CFEERN N#Cc1ccc(NC(=O)[C@H]2CCCCC2(F)F)nc1 ZINC000298788622 294932060 /nfs/dbraw/zinc/93/20/60/294932060.db2.gz RUVYPIJIGZDONO-SNVBAGLBSA-N 0 0 265.263 2.717 10 30 CFEERN N#Cc1cccnc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000037976791 294974839 /nfs/dbraw/zinc/97/48/39/294974839.db2.gz UAODGJFRSBACNM-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN C[C@H]1C[C@@H](O)CN(c2cccc(Br)c2C#N)C1 ZINC000336275534 300442675 /nfs/dbraw/zinc/44/26/75/300442675.db2.gz UMCLITJDZXCOBI-VHSXEESVSA-N 0 0 295.180 2.528 10 30 CFEERN N#Cc1ccc(N2CCCC[C@H]2c2nccs2)nn1 ZINC000158920186 303193101 /nfs/dbraw/zinc/19/31/01/303193101.db2.gz SDXFXZHDEPOJIV-NSHDSACASA-N 0 0 271.349 2.536 10 30 CFEERN C[C@@H]1C[C@@H]1NC(=O)CC1(C(=O)N[C@@H]2C[C@@H]2C)CCOCC1 ZINC000330220942 533701938 /nfs/dbraw/zinc/70/19/38/533701938.db2.gz LDEFEMABNCRGJS-MROQNXINSA-N 0 0 294.395 2.903 10 30 CFEERN N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c[nH]1 ZINC000181374628 323809324 /nfs/dbraw/zinc/80/93/24/323809324.db2.gz OXLKCXYBMNOYGT-OAHLLOKOSA-N 0 0 283.306 2.833 10 30 CFEERN O=C(C[C@@H]1CCCCNC1=O)NCc1nccs1 ZINC000328886077 328459462 /nfs/dbraw/zinc/45/94/62/328459462.db2.gz ZOBNAPMTSOFYQH-VIFPVBQESA-N 0 0 267.354 2.746 10 30 CFEERN C=CCCO[C@H](C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000172953878 329140373 /nfs/dbraw/zinc/14/03/73/329140373.db2.gz GKOOENNNQSGREI-HUUCEWRRSA-N 0 0 291.391 2.689 10 30 CFEERN C=CCOCCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000173245364 329143848 /nfs/dbraw/zinc/14/38/48/329143848.db2.gz KKVAZQOFPCZPHL-UHFFFAOYSA-N 0 0 277.408 2.910 10 30 CFEERN C=CCC1(C(=O)N[C@H](C)c2nnc3n2CCCC3)CCC1 ZINC000189478661 329381300 /nfs/dbraw/zinc/38/13/00/329381300.db2.gz YURFLTYTCGECRT-GFCCVEGCSA-N 0 0 288.395 2.538 10 30 CFEERN C=CCN(CCOC)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191975084 329426927 /nfs/dbraw/zinc/42/69/27/329426927.db2.gz CESHTWZQLDUTII-STQMWFEESA-N 0 0 295.329 2.729 10 30 CFEERN C[C@H](C#N)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000045144051 329597054 /nfs/dbraw/zinc/59/70/54/329597054.db2.gz ATESDNIRQHFCQI-SECBINFHSA-N 0 0 258.243 2.929 10 30 CFEERN C=CCOc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 ZINC000130879704 329629361 /nfs/dbraw/zinc/62/93/61/329629361.db2.gz YJEPABBTDUWELS-STQMWFEESA-N 0 0 275.348 2.501 10 30 CFEERN C[C@H]1CC(CCN2CCOC[C@H]2C#N)C[C@H](C)C1 ZINC000246160888 329787254 /nfs/dbraw/zinc/78/72/54/329787254.db2.gz DHJLVZRVAFVXPM-UMVBOHGHSA-N 0 0 250.386 2.673 10 30 CFEERN CC(C)(C#N)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000070138334 329855070 /nfs/dbraw/zinc/85/50/70/329855070.db2.gz VMBMLSXTQVEQGW-UHFFFAOYSA-N 0 0 283.828 2.821 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248609523 329895723 /nfs/dbraw/zinc/89/57/23/329895723.db2.gz FMIKGNLLDLLZPO-OFQRWUPVSA-N 0 0 265.397 2.742 10 30 CFEERN COCCNc1ccc(-c2ccc(C=O)o2)cc1C#N ZINC000536955340 330383084 /nfs/dbraw/zinc/38/30/84/330383084.db2.gz RJIYACFFXGLCJC-UHFFFAOYSA-N 0 0 270.288 2.689 10 30 CFEERN C#CCN(Cc1nnc(CC)n1C)[C@H]1CCc2ccccc21 ZINC000195080990 333244920 /nfs/dbraw/zinc/24/49/20/333244920.db2.gz ZJOZZTPPEBHSEG-INIZCTEOSA-N 0 0 294.402 2.500 10 30 CFEERN C=C(C)COCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000136161805 334148517 /nfs/dbraw/zinc/14/85/17/334148517.db2.gz XVFKQIHKMLXCQK-LSDHHAIUSA-N 0 0 265.397 2.912 10 30 CFEERN CC[C@](C)(C#N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000353507107 335752003 /nfs/dbraw/zinc/75/20/03/335752003.db2.gz NISVJUDKDGPMFK-CZUORRHYSA-N 0 0 274.364 2.648 10 30 CFEERN C=CCN(Cc1nnc(C)n1CC)Cc1ccccc1 ZINC000195066177 336044370 /nfs/dbraw/zinc/04/43/70/336044370.db2.gz FRALZHHAMDHPMN-UHFFFAOYSA-N 0 0 270.380 2.795 10 30 CFEERN CCCN(CC#N)C(=O)c1cccc(OC(C)C)c1 ZINC000061666432 521524548 /nfs/dbraw/zinc/52/45/48/521524548.db2.gz FXQGRVIXTHUQDX-UHFFFAOYSA-N 0 0 260.337 2.850 10 30 CFEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000069327410 518705958 /nfs/dbraw/zinc/70/59/58/518705958.db2.gz NHCGLQQPTKKUGK-GXTWGEPZSA-N 0 0 275.348 2.608 10 30 CFEERN CC(C)CC[C@H](C)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000069235743 519690897 /nfs/dbraw/zinc/69/08/97/519690897.db2.gz POAFFJZBEYPTJZ-ZDUSSCGKSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)CC[C@H](C)NC(=O)c1ccc(F)cc1C#CCO ZINC000069235741 519690961 /nfs/dbraw/zinc/69/09/61/519690961.db2.gz OGJGJAAGFQOPGV-ZDUSSCGKSA-N 0 0 291.366 2.724 10 30 CFEERN CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000050906358 519902643 /nfs/dbraw/zinc/90/26/43/519902643.db2.gz WXHFIEGAOKOLDU-UHFFFAOYSA-N 0 0 292.404 2.759 10 30 CFEERN CCCC1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000050906344 519904100 /nfs/dbraw/zinc/90/41/00/519904100.db2.gz DPNOLLPDJQCRFM-UHFFFAOYSA-N 0 0 258.369 2.982 10 30 CFEERN CCN[C@@H](C#N)CCSc1ccc([N+](=O)[O-])cc1 ZINC000062451561 520058679 /nfs/dbraw/zinc/05/86/79/520058679.db2.gz FLTIKYCPIJPKPI-SNVBAGLBSA-N 0 0 265.338 2.579 10 30 CFEERN CCNc1cc(C(=O)Nc2cc(C#N)ccc2C)ccn1 ZINC000050771568 520264976 /nfs/dbraw/zinc/26/49/76/520264976.db2.gz HDWJDXSUVWSTBJ-UHFFFAOYSA-N 0 0 280.331 2.946 10 30 CFEERN CCCCC[C@H](C)NC(=O)c1cc(F)ccc1C#CCO ZINC000049105655 520307776 /nfs/dbraw/zinc/30/77/76/520307776.db2.gz UUJKFWLTRCLKRP-ZDUSSCGKSA-N 0 0 291.366 2.868 10 30 CFEERN CCNc1nc(-c2ccc3c(c2)OCCO3)ccc1C#N ZINC000050871490 520351255 /nfs/dbraw/zinc/35/12/55/520351255.db2.gz IZWXCNNFVBRLEH-UHFFFAOYSA-N 0 0 281.315 2.823 10 30 CFEERN CCNc1nc(-c2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000050871590 520351937 /nfs/dbraw/zinc/35/19/37/520351937.db2.gz UNIYAUVFIQCDGJ-UHFFFAOYSA-N 0 0 268.276 2.960 10 30 CFEERN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@@H](C)CC ZINC000048785717 520654466 /nfs/dbraw/zinc/65/44/66/520654466.db2.gz GYIYNZPCOGIPDV-RYUDHWBXSA-N 0 0 290.363 2.639 10 30 CFEERN CCOc1cc2ncc(C#N)c(NC)c2cc1OCC ZINC000050842074 520802749 /nfs/dbraw/zinc/80/27/49/520802749.db2.gz FSXMJLBKZMZOSV-UHFFFAOYSA-N 0 0 271.320 2.946 10 30 CFEERN CC1CCC(C#N)(NC(=O)CC[C@H]2CCCCO2)CC1 ZINC000069393890 520911584 /nfs/dbraw/zinc/91/15/84/520911584.db2.gz YOPXVXIJSAXXPL-NPCAHTBFSA-N 0 0 278.396 2.924 10 30 CFEERN CCOc1cccc(CN[C@H](CC)CC#N)c1OC ZINC000054183626 521376203 /nfs/dbraw/zinc/37/62/03/521376203.db2.gz PPYKIPMXYLNCSR-CYBMUJFWSA-N 0 0 262.353 2.876 10 30 CFEERN CCOC(=O)c1ccc(Nc2nc(C)cc(C#N)n2)cc1 ZINC000049657905 521522945 /nfs/dbraw/zinc/52/29/45/521522945.db2.gz MLXWRRVFZKMEGL-UHFFFAOYSA-N 0 0 282.303 2.577 10 30 CFEERN CCC1(C)CCN(c2ccccc2/C(N)=N/O)CC1 ZINC000062954165 521678350 /nfs/dbraw/zinc/67/83/50/521678350.db2.gz RVPDKNBHJMOHGY-UHFFFAOYSA-N 0 0 261.369 2.798 10 30 CFEERN CC[C@H](CC#N)N1C(=O)CC2(CCCCCC2)C1=O ZINC000054178900 522086743 /nfs/dbraw/zinc/08/67/43/522086743.db2.gz IHPUXBGXCYMRJR-GFCCVEGCSA-N 0 0 262.353 2.778 10 30 CFEERN CNc1c(C#N)cnc2c(OC)ccc(Br)c21 ZINC000050843050 522534719 /nfs/dbraw/zinc/53/47/19/522534719.db2.gz PRKWGFKCMITGEF-UHFFFAOYSA-N 0 0 292.136 2.919 10 30 CFEERN CNc1ccc(Cl)c(C(=O)Nc2ccccc2C#N)n1 ZINC000050728329 522620133 /nfs/dbraw/zinc/62/01/33/522620133.db2.gz ZEWSWVUZBOWMFX-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN Cc1nc2ccc(NC(=O)N[C@H](C)CC3CC3)cn2n1 ZINC000329434653 534650964 /nfs/dbraw/zinc/65/09/64/534650964.db2.gz LODSIOGZAPREFX-SECBINFHSA-N 0 0 273.340 2.552 10 30 CFEERN CNc1nc(-c2cc(OC)ccc2OC)ccc1C#N ZINC000049860527 522675246 /nfs/dbraw/zinc/67/52/46/522675246.db2.gz VYGFNUPNOVLJLE-UHFFFAOYSA-N 0 0 269.304 2.679 10 30 CFEERN CO/N=C/C1=CCCN(C(=O)OCCc2ccccc2)C1 ZINC000038817613 522736687 /nfs/dbraw/zinc/73/66/87/522736687.db2.gz JDOQFCLBKHCQSK-SFQUDFHCSA-N 0 0 288.347 2.630 10 30 CFEERN CC[C@H]1CCCN1c1ccc(Cl)cc1/C(N)=N/O ZINC000052860585 523112881 /nfs/dbraw/zinc/11/28/81/523112881.db2.gz FFXKINWJDGAMKF-JTQLQIEISA-N 0 0 267.760 2.813 10 30 CFEERN COC(=O)[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093687861 523632004 /nfs/dbraw/zinc/63/20/04/523632004.db2.gz HIXZFNXBUCLKSA-AWEZNQCLSA-N 0 0 286.356 2.624 10 30 CFEERN COC(=O)[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000050506497 523642517 /nfs/dbraw/zinc/64/25/17/523642517.db2.gz RAHDFQYADVUCEG-HNNXBMFYSA-N 0 0 266.300 2.884 10 30 CFEERN Cc1cc(C)nc(SCc2cccc(C#CCO)c2)n1 ZINC000051608091 524602246 /nfs/dbraw/zinc/60/22/46/524602246.db2.gz HNSFQAKOMWZGAC-UHFFFAOYSA-N 0 0 284.384 2.730 10 30 CFEERN Cc1cc(N(CCC#N)CC(C)C)nc(Cl)n1 ZINC000052814853 525031421 /nfs/dbraw/zinc/03/14/21/525031421.db2.gz QODDOVCTWTWKNH-UHFFFAOYSA-N 0 0 252.749 2.815 10 30 CFEERN Cc1ccc(Oc2ccnc(/C(N)=N/O)c2)c(Cl)c1 ZINC000061814284 525479121 /nfs/dbraw/zinc/47/91/21/525479121.db2.gz IXJXGYBOHLXWCQ-UHFFFAOYSA-N 0 0 277.711 2.930 10 30 CFEERN C[C@H](O)c1ccc(N(C)CCC#N)c(Br)c1 ZINC000061694949 525855871 /nfs/dbraw/zinc/85/58/71/525855871.db2.gz PONSPLUBEZTNJB-VIFPVBQESA-N 0 0 283.169 2.852 10 30 CFEERN Cc1ccc(Br)c2c(N)c(C#N)cnc12 ZINC000050842954 525982649 /nfs/dbraw/zinc/98/26/49/525982649.db2.gz UIPOKGHOCNZCGM-UHFFFAOYSA-N 0 0 262.110 2.760 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1ccc(N)cc1F ZINC000050428784 526005447 /nfs/dbraw/zinc/00/54/47/526005447.db2.gz OLUIXYIDAYUBKD-UHFFFAOYSA-N 0 0 269.279 2.840 10 30 CFEERN Cc1ccc(C#N)cc1NC1CCC2(CC1)OCCO2 ZINC000050429362 526006363 /nfs/dbraw/zinc/00/63/63/526006363.db2.gz AJFBAFNICMKEFM-UHFFFAOYSA-N 0 0 272.348 2.964 10 30 CFEERN COc1cccc(N(C)c2ccc(C#N)cc2N)c1 ZINC000049969568 526131516 /nfs/dbraw/zinc/13/15/16/526131516.db2.gz QHAKKKZAQAUAOY-UHFFFAOYSA-N 0 0 253.305 2.917 10 30 CFEERN Cc1ccc2c(c1)C(=O)N(c1cc(C#N)ccc1C)C2=O ZINC000050436420 526142042 /nfs/dbraw/zinc/14/20/42/526142042.db2.gz QULYBVINEKUPFR-UHFFFAOYSA-N 0 0 276.295 2.976 10 30 CFEERN COc1cccc(OC)c1Oc1ccnc(C#N)c1 ZINC000061815295 526224433 /nfs/dbraw/zinc/22/44/33/526224433.db2.gz CEOLJJUKUAYGKU-UHFFFAOYSA-N 0 0 256.261 2.763 10 30 CFEERN Cc1nnc(N(C)[C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000055387545 526353117 /nfs/dbraw/zinc/35/31/17/526353117.db2.gz SEYDZFDWDYREJR-IINYFYTJSA-N 0 0 258.369 2.980 10 30 CFEERN C=C(Br)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000105922460 526426631 /nfs/dbraw/zinc/42/66/31/526426631.db2.gz BHDOBVWADXZUHF-LBPRGKRZSA-N 0 0 298.228 2.991 10 30 CFEERN N#CCc1nc2ccccc2n1Cc1ccc(N)cc1F ZINC000069400644 526487354 /nfs/dbraw/zinc/48/73/54/526487354.db2.gz YEHQUIYLNCMBHB-UHFFFAOYSA-N 0 0 280.306 2.872 10 30 CFEERN N#Cc1cc(N2[C@@H]3CCC[C@H]2CC(=O)C3)ccc1F ZINC000054601044 526565759 /nfs/dbraw/zinc/56/57/59/526565759.db2.gz YCHXTJPLAMSJSH-TXEJJXNPSA-N 0 0 258.296 2.788 10 30 CFEERN N#Cc1cc(Oc2ccc(N)c3cccnc23)ccn1 ZINC000061812400 526574563 /nfs/dbraw/zinc/57/45/63/526574563.db2.gz ZOAWTFCIUABNLJ-UHFFFAOYSA-N 0 0 262.272 2.876 10 30 CFEERN N#Cc1ccc(NC(=O)CCCOC2CCC2)cc1 ZINC000050520460 526649363 /nfs/dbraw/zinc/64/93/63/526649363.db2.gz IMAALMGZFAPNSE-UHFFFAOYSA-N 0 0 258.321 2.846 10 30 CFEERN N#Cc1ccc(NCCCn2ccnc2)c(Cl)c1 ZINC000062790824 526661730 /nfs/dbraw/zinc/66/17/30/526661730.db2.gz UTBPLMGLLJBSEU-UHFFFAOYSA-N 0 0 260.728 2.910 10 30 CFEERN N#Cc1cccc(COc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000050517895 526711357 /nfs/dbraw/zinc/71/13/57/526711357.db2.gz ONBSDRXCBSOFJF-UHFFFAOYSA-N 0 0 284.271 2.538 10 30 CFEERN N#Cc1cccc(OCCn2ncc3ccccc32)c1 ZINC000050525863 526728787 /nfs/dbraw/zinc/72/87/87/526728787.db2.gz XQLVWYUAUFPWFP-UHFFFAOYSA-N 0 0 263.300 2.987 10 30 CFEERN N#Cc1ccccc1NC(=O)CN1Cc2ccccc2C1 ZINC000050911252 526743353 /nfs/dbraw/zinc/74/33/53/526743353.db2.gz RKEMSNXYAUFIBE-UHFFFAOYSA-N 0 0 277.327 2.513 10 30 CFEERN Cc1nc(C)c([C@H](C)Nc2cc(C#N)ccc2C)c(=O)[nH]1 ZINC000050430009 526756307 /nfs/dbraw/zinc/75/63/07/526756307.db2.gz QGAKZVOHEJTVQT-NSHDSACASA-N 0 0 282.347 2.740 10 30 CFEERN N#Cc1cnc(N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000246990698 526773627 /nfs/dbraw/zinc/77/36/27/526773627.db2.gz KUKTUSYDFHZPSC-SWLSCSKDSA-N 0 0 291.782 2.738 10 30 CFEERN Cn1cc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)cn1 ZINC000171448832 527297812 /nfs/dbraw/zinc/29/78/12/527297812.db2.gz LYAYGQBCASBLKD-HNNXBMFYSA-N 0 0 295.346 2.661 10 30 CFEERN O=C(C=NNc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000003214629 527659751 /nfs/dbraw/zinc/65/97/51/527659751.db2.gz HFRPLVGTEPCARJ-OQLLNIDSSA-N 0 0 285.259 2.581 10 30 CFEERN CCOC(=O)C/C(=N\c1ccc([N+](=O)[O-])cc1)OCC ZINC000103846059 528573236 /nfs/dbraw/zinc/57/32/36/528573236.db2.gz ZJGJNPAVJZSQLA-WYMLVPIESA-N 0 0 280.280 2.615 10 30 CFEERN CC(C)[C@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccc1 ZINC000330261187 528896851 /nfs/dbraw/zinc/89/68/51/528896851.db2.gz UBNNCMVZWBTKAA-HNNXBMFYSA-N 0 0 288.391 2.754 10 30 CFEERN CC[C@]1(c2cccc(Br)c2)O[C@H]1C#N ZINC000306375822 545499017 /nfs/dbraw/zinc/49/90/17/545499017.db2.gz YDZJWXXGRVBLSA-WDEREUQCSA-N 0 0 252.111 2.977 10 30 CFEERN C=C[C@@H](C)NC(=S)NCc1cccc(Cl)c1 ZINC000757134738 617775342 /nfs/dbraw/zinc/77/53/42/617775342.db2.gz ONRCPGJREMOYOE-SECBINFHSA-N 0 0 254.786 2.879 10 30 CFEERN C#CCOc1cccc(COC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000176133546 617799717 /nfs/dbraw/zinc/79/97/17/617799717.db2.gz MYBHVIPJCXCOGI-HZPDHXFCSA-N 0 0 270.328 2.788 10 30 CFEERN C#CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000156164361 618155306 /nfs/dbraw/zinc/15/53/06/618155306.db2.gz WQPHPUWTGQGULJ-OLZOCXBDSA-N 0 0 277.314 2.988 10 30 CFEERN C#CCCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181362158 618267420 /nfs/dbraw/zinc/26/74/20/618267420.db2.gz QHDRIPXRVBCNRY-BBRMVZONSA-N 0 0 270.376 2.941 10 30 CFEERN C[C@@H]1OCC[C@@H]1Nc1nc2ccccc2cc1C#N ZINC000149801356 618960059 /nfs/dbraw/zinc/96/00/59/618960059.db2.gz AODTZAPJIXILBQ-GWCFXTLKSA-N 0 0 253.305 2.696 10 30 CFEERN Cn1cc([C@@H]2CCCN2Cc2ccc(F)cc2C#N)cn1 ZINC000171410456 623221891 /nfs/dbraw/zinc/22/18/91/623221891.db2.gz GDAQQQIQPVAXLL-INIZCTEOSA-N 0 0 284.338 2.768 10 30 CFEERN C#CCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000172943577 623323523 /nfs/dbraw/zinc/32/35/23/623323523.db2.gz KQIKENCWJFLHST-RYUDHWBXSA-N 0 0 263.287 2.598 10 30 CFEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1ccc(C#N)cc1 ZINC000102914651 631125847 /nfs/dbraw/zinc/12/58/47/631125847.db2.gz WPGIRWQFVDXYCQ-LLVKDONJSA-N 0 0 292.342 2.608 10 30 CFEERN N#Cc1cccc(CNS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000042007505 649994520 /nfs/dbraw/zinc/99/45/20/649994520.db2.gz QQUOUUCQRPZBIH-MDZDMXLPSA-N 0 0 298.367 2.649 10 30 CFEERN C#CCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109185307 633903441 /nfs/dbraw/zinc/90/34/41/633903441.db2.gz ZYWGOUDMECMYPK-WDEREUQCSA-N 0 0 250.244 2.635 10 30 CFEERN C[C@H](OC(=O)/C=C/c1ccccc1C#N)[C@@H]1CCOC1 ZINC000079178006 650569030 /nfs/dbraw/zinc/56/90/30/650569030.db2.gz ZVQMYLJWSPBVHS-AXGJVXDSSA-N 0 0 271.316 2.540 10 30 CFEERN C=CCOc1ccc(C(=O)O[C@H](C)[C@@H]2CCOC2)cc1 ZINC000079175416 650567502 /nfs/dbraw/zinc/56/75/02/650567502.db2.gz UFYYHUGAVFCTOC-TZMCWYRMSA-N 0 0 276.332 2.833 10 30 CFEERN C#CCOc1ccc(F)cc1NC[C@H]1CCC=CO1 ZINC000194109803 650717926 /nfs/dbraw/zinc/71/79/26/650717926.db2.gz LZVWMKLUUCJNHM-CYBMUJFWSA-N 0 0 261.296 2.942 10 30 CFEERN CCCCCCCCCC[N@@H+]1CCO[C@H](CO)C1 ZINC000125405771 642621162 /nfs/dbraw/zinc/62/11/62/642621162.db2.gz MBKIGOIUPZYFGL-HNNXBMFYSA-N 0 0 257.418 2.820 10 30 CFEERN C[C@H](C#N)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000125628171 642701902 /nfs/dbraw/zinc/70/19/02/642701902.db2.gz NAHVJFOBOZQEDL-GFCCVEGCSA-N 0 0 293.326 2.581 10 30 CFEERN C#CCNC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026525193 645571274 /nfs/dbraw/zinc/57/12/74/645571274.db2.gz VFYMHKSQMZGEFJ-MRVPVSSYSA-N 0 0 271.147 2.987 10 30 CFEERN Cc1nnc([C@H]2CCCN(C(=O)C#CC(C)(C)C)[C@H]2C)o1 ZINC000886096725 646865107 /nfs/dbraw/zinc/86/51/07/646865107.db2.gz AONKLNJDJSWEAM-AAEUAGOBSA-N 0 0 289.379 2.522 10 30 CFEERN C#CCOc1ccccc1CN[C@H](C)c1ncc(C)o1 ZINC000220942424 647166422 /nfs/dbraw/zinc/16/64/22/647166422.db2.gz VBYOVVIZJMCTON-CYBMUJFWSA-N 0 0 270.332 2.846 10 30 CFEERN C#CCNc1ccc(C)c(I)c1 ZINC000068990232 346878981 /nfs/dbraw/zinc/87/89/81/346878981.db2.gz JRXOOFTUYKIYPV-UHFFFAOYSA-N 0 0 271.101 2.645 10 30 CFEERN N#Cc1ccc(NCc2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC000083496946 178531111 /nfs/dbraw/zinc/53/11/11/178531111.db2.gz HIHCYKVBNCZYDN-UHFFFAOYSA-N 0 0 268.276 2.661 10 30 CFEERN CC(=O)Nc1ccc(/C=N/[C@@H](CO)Cc2ccccc2)cc1 ZINC000003623348 346208950 /nfs/dbraw/zinc/20/89/50/346208950.db2.gz JKJAWVPYGRYODR-LSCADSNKSA-N 0 0 296.370 2.668 10 30 CFEERN COC(=NC(=O)c1ccccc1F)NCc1ccccc1 ZINC000006228600 346214143 /nfs/dbraw/zinc/21/41/43/346214143.db2.gz ACOOURWFMDOBFB-UHFFFAOYSA-N 0 0 286.306 2.758 10 30 CFEERN C=CCc1cc(C(=O)N[C@@H](C)C2CC2)cc(OC)c1OC ZINC000025594346 346260517 /nfs/dbraw/zinc/26/05/17/346260517.db2.gz HMEBDKAESKYGSV-NSHDSACASA-N 0 0 289.375 2.961 10 30 CFEERN CC(=O)O/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000085346690 179028678 /nfs/dbraw/zinc/02/86/78/179028678.db2.gz WMQSBOJHKOIJRN-RIYZIHGNSA-N 0 0 274.232 2.752 10 30 CFEERN OCC#Cc1cc(F)ccc1OCc1ccccc1 ZINC000037544065 346330880 /nfs/dbraw/zinc/33/08/80/346330880.db2.gz QFGDBQUNYKSTDK-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN CCN[C@@H](C#N)c1ccc(F)c(Br)c1 ZINC000034939483 346319041 /nfs/dbraw/zinc/31/90/41/346319041.db2.gz GQOQTVIQPATUTD-JTQLQIEISA-N 0 0 257.106 2.762 10 30 CFEERN O=C[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000036461055 346323518 /nfs/dbraw/zinc/32/35/18/346323518.db2.gz MKESOGHEPAYRNF-KRWDZBQOSA-N 0 0 270.328 2.988 10 30 CFEERN C=CCOC(=O)c1ccc([N+](=O)[O-])cc1OCC=C ZINC000038213261 346337578 /nfs/dbraw/zinc/33/75/78/346337578.db2.gz JPTFDVFSKULZIY-UHFFFAOYSA-N 0 0 263.249 2.502 10 30 CFEERN N#Cc1cccc(COc2ccc(CC=O)cc2)c1 ZINC000039122391 346341507 /nfs/dbraw/zinc/34/15/07/346341507.db2.gz CZRCPLWKALTQKE-UHFFFAOYSA-N 0 0 251.285 2.879 10 30 CFEERN O=CCc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000043220660 346380992 /nfs/dbraw/zinc/38/09/92/346380992.db2.gz FZGLTZLHIYTHJY-UHFFFAOYSA-N 0 0 271.272 2.915 10 30 CFEERN N#Cc1ccc(Oc2ccc(F)cc2F)nc1C=O ZINC000098180883 185699455 /nfs/dbraw/zinc/69/94/55/185699455.db2.gz QWYJZLBDNZUWEL-UHFFFAOYSA-N 0 0 260.199 2.836 10 30 CFEERN O=C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000059172112 346656169 /nfs/dbraw/zinc/65/61/69/346656169.db2.gz GPGHMUYOZRAMNQ-IBGZPJMESA-N 0 0 294.398 2.572 10 30 CFEERN CC(C)(C)OC(=O)/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000090636332 347553404 /nfs/dbraw/zinc/55/34/04/347553404.db2.gz VSDGQTFMUYCPDA-MDWZMJQESA-N 0 0 250.254 2.949 10 30 CFEERN CC(C)(C)OC(=O)CCOCCc1cccc(C#N)c1 ZINC000115652154 347781248 /nfs/dbraw/zinc/78/12/48/347781248.db2.gz UZMACWWHRQYFBW-UHFFFAOYSA-N 0 0 275.348 2.849 10 30 CFEERN N#Cc1n[nH]cc1-c1csc(Nc2ccccn2)n1 ZINC000113680261 347768260 /nfs/dbraw/zinc/76/82/60/347768260.db2.gz DOUGLSBSEREDCY-UHFFFAOYSA-N 0 0 268.305 2.543 10 30 CFEERN C=CC1(O)c2ccccc2OCOc2ccccc21 ZINC000113917825 347769133 /nfs/dbraw/zinc/76/91/33/347769133.db2.gz XTYXTAWPYBTZRW-UHFFFAOYSA-N 0 0 254.285 2.837 10 30 CFEERN CCC(=O)N(Cc1ccncc1)c1cccc(C#N)c1 ZINC000114873865 347775789 /nfs/dbraw/zinc/77/57/89/347775789.db2.gz IEGIMMAQSUVKKV-UHFFFAOYSA-N 0 0 265.316 2.896 10 30 CFEERN N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000107545816 347735863 /nfs/dbraw/zinc/73/58/63/347735863.db2.gz JCYJLZKZJXUGGH-MNOVXSKESA-N 0 0 297.280 2.804 10 30 CFEERN COC(=O)c1cc(C#N)ccc1OCc1ccccc1 ZINC000116760287 347788423 /nfs/dbraw/zinc/78/84/23/347788423.db2.gz XSLZLFFVVCBHGZ-UHFFFAOYSA-N 0 0 267.284 2.924 10 30 CFEERN N#Cc1cc(-n2ccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000128012104 347846648 /nfs/dbraw/zinc/84/66/48/347846648.db2.gz DTUHSSRMMMLJCP-UHFFFAOYSA-N 0 0 282.181 2.671 10 30 CFEERN C=C(C)[C@H](NN)c1cc(Br)ccc1F ZINC000126460903 347835053 /nfs/dbraw/zinc/83/50/53/347835053.db2.gz QIIOLHVYMANTBJ-JTQLQIEISA-N 0 0 259.122 2.669 10 30 CFEERN C#CC[C@@H](NN)c1ccc(Br)cc1Cl ZINC000126712140 347836305 /nfs/dbraw/zinc/83/63/05/347836305.db2.gz POYPSWGCBZBOQG-SNVBAGLBSA-N 0 0 273.561 2.630 10 30 CFEERN C=C[C@H](O)c1ncc(Br)cc1Br ZINC000129949437 347865892 /nfs/dbraw/zinc/86/58/92/347865892.db2.gz MYRZTYKZDLFFNJ-ZETCQYMHSA-N 0 0 292.958 2.826 10 30 CFEERN C#C[C@@H](NCC)c1ccccc1I ZINC000130210822 347868707 /nfs/dbraw/zinc/86/87/07/347868707.db2.gz WMLLPMOSMWAKFD-LLVKDONJSA-N 0 0 285.128 2.575 10 30 CFEERN CCc1nn(Cc2ccc(C#N)cc2)c(CC)c1[N+](=O)[O-] ZINC000131904259 347881605 /nfs/dbraw/zinc/88/16/05/347881605.db2.gz MFCKBDTZNCHPHX-UHFFFAOYSA-N 0 0 284.319 2.836 10 30 CFEERN COc1cc(-c2cncc(F)c2[C@@H](C)O)ccc1C#N ZINC000143037034 347935876 /nfs/dbraw/zinc/93/58/76/347935876.db2.gz VBBPYQAAGDZICK-SECBINFHSA-N 0 0 272.279 2.821 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135122194 347904359 /nfs/dbraw/zinc/90/43/59/347904359.db2.gz UZILABDYDJJIEC-GDBMZVCRSA-N 0 0 274.364 2.664 10 30 CFEERN C=C[C@@](C)(CC)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000135122180 347904601 /nfs/dbraw/zinc/90/46/01/347904601.db2.gz UZILABDYDJJIEC-HOCLYGCPSA-N 0 0 274.364 2.664 10 30 CFEERN Cc1ccnc(N[C@@H]2CCc3cc(N)ccc32)c1C#N ZINC000135208305 347905019 /nfs/dbraw/zinc/90/50/19/347905019.db2.gz JAOITDKXSYFURD-OAHLLOKOSA-N 0 0 264.332 2.943 10 30 CFEERN Cn1nccc1-c1cc(Cl)nc(Cl)c1C#N ZINC000725256920 539592220 /nfs/dbraw/zinc/59/22/20/539592220.db2.gz DCWDARBLYOZYHK-UHFFFAOYSA-N 0 0 253.092 2.661 10 30 CFEERN C=C(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000160646704 348019842 /nfs/dbraw/zinc/01/98/42/348019842.db2.gz GDZOVXYILFZKQK-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN CC[C@H](C#N)NS(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000160846159 348021647 /nfs/dbraw/zinc/02/16/47/348021647.db2.gz YWYDEQZYOQZLDD-CQSZACIVSA-N 0 0 294.420 2.856 10 30 CFEERN C=C(C)CCn1c(C)c(Br)c(C)nc1=O ZINC000164817340 348037686 /nfs/dbraw/zinc/03/76/86/348037686.db2.gz RZXNBKVKWADZRG-UHFFFAOYSA-N 0 0 271.158 2.589 10 30 CFEERN CC#CCC(=O)c1cccc(I)c1 ZINC000167885804 348047212 /nfs/dbraw/zinc/04/72/12/348047212.db2.gz BKYAIGYJNXOUNA-UHFFFAOYSA-N 0 0 284.096 2.887 10 30 CFEERN C[C@H]1COc2ccccc2[C@@]1(Br)C#N ZINC000168114162 348047323 /nfs/dbraw/zinc/04/73/23/348047323.db2.gz UZYFCWXUBIOAPD-GZMMTYOYSA-N 0 0 252.111 2.829 10 30 CFEERN CC#CC[C@@H](O)c1cccc(I)c1 ZINC000169063502 348050215 /nfs/dbraw/zinc/05/02/15/348050215.db2.gz DVYQIFNQYPUYHV-LLVKDONJSA-N 0 0 286.112 2.738 10 30 CFEERN C[C@@]1(/[N+]([O-])=C/c2ccccc2F)CCCCC1=O ZINC000225430410 348177669 /nfs/dbraw/zinc/17/76/69/348177669.db2.gz XEAANIXUZRDTGX-KWZJRMENSA-N 0 0 250.293 2.548 10 30 CFEERN CCCC(=O)/C=C/C=C/C=C\C#CC#CCCCO ZINC000198974715 348151906 /nfs/dbraw/zinc/15/19/06/348151906.db2.gz APVCOKXFZCKIQG-HGBMKXHTSA-N 0 0 256.345 2.804 10 30 CFEERN N#Cc1ccc2[nH]c(I)cc2c1 ZINC000206066058 348155907 /nfs/dbraw/zinc/15/59/07/348155907.db2.gz PTPDIZSYEDIWFK-UHFFFAOYSA-N 0 0 268.057 2.644 10 30 CFEERN COC(=O)C#Cc1ccc(Cl)c(Br)c1 ZINC000234500956 348220627 /nfs/dbraw/zinc/22/06/27/348220627.db2.gz OKWJDIVZFJXUTP-UHFFFAOYSA-N 0 0 273.513 2.627 10 30 CFEERN C#C[C@@H](CC)Nc1ccc(Br)c(C)n1 ZINC000229999959 348203846 /nfs/dbraw/zinc/20/38/46/348203846.db2.gz ABRMNEKWTPRBRE-VIFPVBQESA-N 0 0 253.143 2.976 10 30 CFEERN C[C@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000230057901 348203893 /nfs/dbraw/zinc/20/38/93/348203893.db2.gz ODAJRLPZTKHZGO-GXFFZTMASA-N 0 0 260.312 2.750 10 30 CFEERN C#CC[C@@](C)(O)Cc1ccc(Br)cc1 ZINC000235419027 348227081 /nfs/dbraw/zinc/22/70/81/348227081.db2.gz RECKZUQGDXCGLC-GFCCVEGCSA-N 0 0 253.139 2.766 10 30 CFEERN N#Cc1cncc(Br)c1OC(F)(F)F ZINC000238518543 348246511 /nfs/dbraw/zinc/24/65/11/348246511.db2.gz MJOAFLLBERFWNL-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#CCc1ccc(Br)nc1OC(F)(F)F ZINC000238545128 348247072 /nfs/dbraw/zinc/24/70/72/348247072.db2.gz UETFFKZGXVKCRF-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1nc(Br)ccc1OC(F)(F)F ZINC000238533194 348247219 /nfs/dbraw/zinc/24/72/19/348247219.db2.gz NXGZLQCFEJEFKE-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cnc1Br ZINC000238539510 348247226 /nfs/dbraw/zinc/24/72/26/348247226.db2.gz OPYNLJRTWUJVJS-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C[C@@H](C#N)Nc1cc(Br)ccc1C#N ZINC000235550681 348228332 /nfs/dbraw/zinc/22/83/32/348228332.db2.gz BUYKMMXUTHKQRI-ZETCQYMHSA-N 0 0 250.099 2.645 10 30 CFEERN Cn1ncc(Br)c1C(=O)C1=CCCCC1 ZINC000236082287 348231794 /nfs/dbraw/zinc/23/17/94/348231794.db2.gz NVFFQOBQKLGICM-UHFFFAOYSA-N 0 0 269.142 2.866 10 30 CFEERN C#CC[C@@H](NN)c1cc(Cl)ccc1Br ZINC000236283861 348232967 /nfs/dbraw/zinc/23/29/67/348232967.db2.gz KCBXLOMMKZXRBJ-SNVBAGLBSA-N 0 0 273.561 2.630 10 30 CFEERN O=C(CS)Nc1cccc(Cl)c1Br ZINC000236608032 348234767 /nfs/dbraw/zinc/23/47/67/348234767.db2.gz ZGKTXRBAMDMRBC-UHFFFAOYSA-N 0 0 280.574 2.971 10 30 CFEERN COC(=O)c1ccc(N=Cc2cccc(OC)c2O)cc1 ZINC000254440698 348301961 /nfs/dbraw/zinc/30/19/61/348301961.db2.gz KDVYPSRCDMNXQP-UHFFFAOYSA-N 0 0 285.299 2.938 10 30 CFEERN O=C(OCc1ccccc1)N1CCCC(=NO)CC1 ZINC000261507604 348312267 /nfs/dbraw/zinc/31/22/67/348312267.db2.gz KDZQESRASWATAR-UHFFFAOYSA-N 0 0 262.309 2.639 10 30 CFEERN C[C@@H](C#N)Nc1cccc(F)c1I ZINC000300954659 348371045 /nfs/dbraw/zinc/37/10/45/348371045.db2.gz MLAGABSNNBQWOA-LURJTMIESA-N 0 0 290.079 2.754 10 30 CFEERN Cc1cc(Br)ccc1CN[C@@H](C)C#N ZINC000306249866 348385333 /nfs/dbraw/zinc/38/53/33/348385333.db2.gz RIKNZXQUVNJSBG-VIFPVBQESA-N 0 0 253.143 2.759 10 30 CFEERN C[C@H](C#N)Oc1c(N)cc(Br)cc1Cl ZINC000307030509 348395053 /nfs/dbraw/zinc/39/50/53/348395053.db2.gz PRSOYRNKFLJDQK-RXMQYKEDSA-N 0 0 275.533 2.976 10 30 CFEERN CC(C)(C)[S@@](=O)/N=C/c1ccnc(Br)c1 ZINC000308675235 348404145 /nfs/dbraw/zinc/40/41/45/348404145.db2.gz HUZVSMBFTZNSPZ-MYWXAZLQSA-N 0 0 289.198 2.725 10 30 CFEERN COc1cc(OC)c([C@@H](O)C#Cc2ccccc2)c(OC)c1 ZINC000313524632 348423222 /nfs/dbraw/zinc/42/32/22/348423222.db2.gz JTVSLDOJSSFAJS-HNNXBMFYSA-N 0 0 298.338 2.798 10 30 CFEERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@H]2C#N)s1 ZINC000391910235 348544738 /nfs/dbraw/zinc/54/47/38/348544738.db2.gz CRHWXAKSGHTOPC-INTQDDNPSA-N 0 0 250.371 2.580 10 30 CFEERN O=C(c1cscc1Br)C1=CCCO1 ZINC000404736430 348593906 /nfs/dbraw/zinc/59/39/06/348593906.db2.gz AAIOGVBIYCHSMM-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN C#Cc1cccc(OC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000396130705 348556206 /nfs/dbraw/zinc/55/62/06/348556206.db2.gz VCWJLLLGHOADPV-UHFFFAOYSA-N 0 0 273.332 2.666 10 30 CFEERN N#CCC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2)C1=O ZINC000536950767 348651360 /nfs/dbraw/zinc/65/13/60/348651360.db2.gz LBBMCDRGEVEGHC-LBPRGKRZSA-N 0 0 276.723 2.566 10 30 CFEERN N#Cc1cc(C(N)=O)c(C(F)(F)F)cc1C(F)(F)F ZINC000514269409 348639821 /nfs/dbraw/zinc/63/98/21/348639821.db2.gz IXHGLZXCQURUJN-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#CCc1c(C(F)(F)F)ccnc1OC(F)F ZINC000514261497 348640215 /nfs/dbraw/zinc/64/02/15/348640215.db2.gz YYHVKZKBPXGIAV-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN COC(=O)c1cccc(C#C[C@@](C)(OC)C2(C#N)CC2)c1 ZINC000584597910 348684403 /nfs/dbraw/zinc/68/44/03/348684403.db2.gz XIYFRJMDRFMUGM-MRXNPFEDSA-N 0 0 283.327 2.534 10 30 CFEERN COC(=O)c1ccccc1C#C[C@](C)(OC)C1(C#N)CC1 ZINC000584597454 348684446 /nfs/dbraw/zinc/68/44/46/348684446.db2.gz PPSTZDFCHIUYJO-INIZCTEOSA-N 0 0 283.327 2.534 10 30 CFEERN N#Cc1ccccc1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000584598775 348684867 /nfs/dbraw/zinc/68/48/67/348684867.db2.gz VDSIAQWBEJTMDF-LLVKDONJSA-N 0 0 282.265 2.827 10 30 CFEERN C=CC[C@H](Cc1ccccc1OC)NC(=O)OCC ZINC000584600854 348685734 /nfs/dbraw/zinc/68/57/34/348685734.db2.gz HFUJGRULKZIJIC-CYBMUJFWSA-N 0 0 263.337 2.929 10 30 CFEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43O)[C@@H]1CC[C@@H]2O ZINC000584602373 348686246 /nfs/dbraw/zinc/68/62/46/348686246.db2.gz HBHGHLMIRJAEOW-UGDFAFBOSA-N 0 0 290.403 2.604 10 30 CFEERN C#CCO[C@@H](O)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000584603880 348686825 /nfs/dbraw/zinc/68/68/25/348686825.db2.gz TTYDIYZTNZGBFI-QGZVFWFLSA-N 0 0 266.296 2.505 10 30 CFEERN COP(=O)(OC)C(=O)/C=C/c1ccc(F)cc1 ZINC000584610027 348688942 /nfs/dbraw/zinc/68/89/42/348688942.db2.gz JWYRSQDVVYOUPJ-VMPITWQZSA-N 0 0 258.185 2.851 10 30 CFEERN C=C[C@@H](O)c1c(Br)c(OC)ccc1OC ZINC000584612976 348690080 /nfs/dbraw/zinc/69/00/80/348690080.db2.gz CTKZCBWFMPZXDS-SSDOTTSWSA-N 0 0 273.126 2.686 10 30 CFEERN C=CC[C@H](Cc1ccc2c(c1)OCO2)C(=O)OCC ZINC000584615322 348690675 /nfs/dbraw/zinc/69/06/75/348690675.db2.gz ZOMONGGPAZDGKF-GFCCVEGCSA-N 0 0 262.305 2.713 10 30 CFEERN S=C(N/N=C/c1nccc2ccccc21)N1CCCC1 ZINC000584620996 348692942 /nfs/dbraw/zinc/69/29/42/348692942.db2.gz BIPHDBGCGJSQGC-GZTJUZNOSA-N 0 0 284.388 2.539 10 30 CFEERN CCC(/C=C/[C@@](O)(c1ccccc1)C1(C#N)CC1)=C\C(N)=O ZINC000584623961 348693538 /nfs/dbraw/zinc/69/35/38/348693538.db2.gz JFEHKGQJGDHODB-YMMUIOKGSA-N 0 0 296.370 2.556 10 30 CFEERN N#C[C@H](c1ncco1)[C@H](CCO)c1c(F)cccc1F ZINC000584627410 348694499 /nfs/dbraw/zinc/69/44/99/348694499.db2.gz YHIANYOJRZTWBZ-UWVGGRQHSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@H](c1ccccc1)[C@H](CCO)c1cncc(Cl)n1 ZINC000584628201 348694852 /nfs/dbraw/zinc/69/48/52/348694852.db2.gz AMRVWCUZJVVHDO-QWHCGFSZSA-N 0 0 287.750 2.903 10 30 CFEERN COc1ccc([C@H](CCO)[C@H](C#N)c2ccccc2)cn1 ZINC000584633616 348696756 /nfs/dbraw/zinc/69/67/56/348696756.db2.gz BYFYBFSCHJZEDS-JKSUJKDBSA-N 0 0 282.343 2.864 10 30 CFEERN N#C[C@H](c1ccccc1)[C@H](CCO)c1cncc(F)c1 ZINC000584633966 348697487 /nfs/dbraw/zinc/69/74/87/348697487.db2.gz TYGXPPFUODIBRC-HZPDHXFCSA-N 0 0 270.307 2.994 10 30 CFEERN N#Cc1ccc([S@@](=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584635951 348698285 /nfs/dbraw/zinc/69/82/85/348698285.db2.gz WZRVCFZYKLWUAG-LJQANCHMSA-N 0 0 272.285 2.633 10 30 CFEERN N#C[C@@H](c1cccc(F)c1)[C@@H](CCO)c1cnco1 ZINC000584638457 348699092 /nfs/dbraw/zinc/69/90/92/348699092.db2.gz ABQOKCCTXNSZAL-OLZOCXBDSA-N 0 0 260.268 2.587 10 30 CFEERN N#C[C@@H](c1ccc(F)cc1F)[C@@H](CCO)c1cnco1 ZINC000584638571 348699459 /nfs/dbraw/zinc/69/94/59/348699459.db2.gz MFBSMZIMSBEKMT-NEPJUHHUSA-N 0 0 278.258 2.726 10 30 CFEERN CC(C)Oc1cncc(/C=C2\C(=O)C3CCN2CC3)c1 ZINC000584660143 348702991 /nfs/dbraw/zinc/70/29/91/348702991.db2.gz JYIATISDAIWSDJ-OVCLIPMQSA-N 0 0 272.348 2.504 10 30 CFEERN N#CCCN(C(=O)c1ccc2[nH]ccc2c1)C1CC1 ZINC000104264212 185948250 /nfs/dbraw/zinc/94/82/50/185948250.db2.gz NUKRRYNEGCHXPX-UHFFFAOYSA-N 0 0 253.305 2.686 10 30 CFEERN N/C(=N/O)c1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000104415102 185994089 /nfs/dbraw/zinc/99/40/89/185994089.db2.gz LFKFEGPRJDUUKW-UHFFFAOYSA-N 0 0 281.674 2.761 10 30 CFEERN C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCS1 ZINC000235738520 539749752 /nfs/dbraw/zinc/74/97/52/539749752.db2.gz CWHFVUUIWALNIM-GFCCVEGCSA-N 0 0 278.337 2.559 10 30 CFEERN N#Cc1c(N)n(C2CCCCC2)nc1C(F)(F)F ZINC000090562707 180004423 /nfs/dbraw/zinc/00/44/23/180004423.db2.gz FZSAPWUKAPTRRK-UHFFFAOYSA-N 0 0 258.247 2.861 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1cccnc1C(F)(F)F ZINC000599417830 350433535 /nfs/dbraw/zinc/43/35/35/350433535.db2.gz WBJSHEQJWFBGIQ-KOLCDFICSA-N 0 0 269.270 2.882 10 30 CFEERN Cc1cnn([C@@H]2CCCN(Cc3ccccc3C#N)C2)c1 ZINC000105899752 186085785 /nfs/dbraw/zinc/08/57/85/186085785.db2.gz JXUUWLOEJJCZLS-QGZVFWFLSA-N 0 0 280.375 2.900 10 30 CFEERN Cc1cnn(CCNc2ccc(C#N)c(Cl)c2)c1 ZINC000110581173 186303020 /nfs/dbraw/zinc/30/30/20/186303020.db2.gz OXGGWNJUKOEEBM-UHFFFAOYSA-N 0 0 260.728 2.829 10 30 CFEERN Cc1nn(-c2ccc(F)cc2Br)c(N)c1C#N ZINC000604941569 351230832 /nfs/dbraw/zinc/23/08/32/351230832.db2.gz GIJSSLSFQDBMQP-UHFFFAOYSA-N 0 0 295.115 2.536 10 30 CFEERN CCOC(=O)C(Cl)=NNc1cccc(C)c1C ZINC000606206197 351260055 /nfs/dbraw/zinc/26/00/55/351260055.db2.gz PNJVHCYPMOFLCH-UHFFFAOYSA-N 0 0 254.717 2.831 10 30 CFEERN N#CC1(CO)CC(OCc2cccc(Cl)c2)C1 ZINC000606302464 351261013 /nfs/dbraw/zinc/26/10/13/351261013.db2.gz MNEVPNSEZCZEQC-UHFFFAOYSA-N 0 0 251.713 2.521 10 30 CFEERN CCOC(=O)C1(C=O)CC(Cc2ccc(C)cc2)C1 ZINC000606302188 351261085 /nfs/dbraw/zinc/26/10/85/351261085.db2.gz HEJOSTXYSQIPAB-UHFFFAOYSA-N 0 0 260.333 2.696 10 30 CFEERN CCOC(=O)C1(C=O)CC(Cc2ccccc2F)C1 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C[C@H](CC#N)N(C)c1ccc(Br)cn1 ZINC000063096155 373784579 /nfs/dbraw/zinc/78/45/79/373784579.db2.gz BPKWOTKZUXUXSI-MRVPVSSYSA-N 0 0 254.131 2.582 10 30 CFEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccccc1C#N ZINC000081566552 374706192 /nfs/dbraw/zinc/70/61/92/374706192.db2.gz QRCWSKDWJWCYKR-GFCCVEGCSA-N 0 0 274.364 2.720 10 30 CFEERN C/C(=N\O)[C@H]1COc2ccc(Br)cc21 ZINC000095884067 375463158 /nfs/dbraw/zinc/46/31/58/375463158.db2.gz FVMGXZXVZKQJRJ-TZZQWBKVSA-N 0 0 256.099 2.775 10 30 CFEERN Cc1cccc([C@@](C#N)(C[C@H](C)C#N)N2CCOCC2)c1 ZINC000096300483 375484132 /nfs/dbraw/zinc/48/41/32/375484132.db2.gz WDFVGTCLZOSIJC-RDJZCZTQSA-N 0 0 283.375 2.596 10 30 CFEERN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)COC ZINC000103373320 375736555 /nfs/dbraw/zinc/73/65/55/375736555.db2.gz QTOPYJWAXIKURP-CYBMUJFWSA-N 0 0 274.364 2.579 10 30 CFEERN O=C(OCC(F)(F)[C@H](F)C(F)(F)F)C(F)(F)F ZINC000103542515 375754500 /nfs/dbraw/zinc/75/45/00/375754500.db2.gz ZYXBRTNLGMORPQ-REOHCLBHSA-N 0 0 278.070 2.628 10 30 CFEERN C=CCCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850743 375792223 /nfs/dbraw/zinc/79/22/23/375792223.db2.gz SAHDZPWQHJGXKG-ZDUSSCGKSA-N 0 0 261.369 2.667 10 30 CFEERN C[C@H]1CC[C@@H](CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000130435280 377557192 /nfs/dbraw/zinc/55/71/92/377557192.db2.gz GNIVXKMJYLRDSG-DZGCQCFKSA-N 0 0 298.386 2.974 10 30 CFEERN C=CCOc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)cc1 ZINC000130879911 377624662 /nfs/dbraw/zinc/62/46/62/377624662.db2.gz YJEPABBTDUWELS-CHWSQXEVSA-N 0 0 275.348 2.501 10 30 CFEERN C=C(C)COCCNC(=O)NC1CCC(CC)CC1 ZINC000135034610 378076794 /nfs/dbraw/zinc/07/67/94/378076794.db2.gz GAZJDXOLSWUUMV-UHFFFAOYSA-N 0 0 268.401 2.847 10 30 CFEERN Cc1cc(NC[C@H]2Cc3ccccc3O2)c(C#N)c(C)n1 ZINC000135190503 378096373 /nfs/dbraw/zinc/09/63/73/378096373.db2.gz PDJZHBWMKVJGDQ-CQSZACIVSA-N 0 0 279.343 2.986 10 30 CFEERN C=C(C)COCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000136124919 378180386 /nfs/dbraw/zinc/18/03/86/378180386.db2.gz WXEUWUKZZQHORY-STQMWFEESA-N 0 0 295.329 2.777 10 30 CFEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)O1 ZINC000153279200 378483650 /nfs/dbraw/zinc/48/36/50/378483650.db2.gz TUTHREPSJNKOAK-QPUJVOFHSA-N 0 0 264.712 2.718 10 30 CFEERN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)o1 ZINC000334274825 379016398 /nfs/dbraw/zinc/01/63/98/379016398.db2.gz QOFNWJOPUKARAV-LLVKDONJSA-N 0 0 287.344 2.975 10 30 CFEERN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)COC ZINC000171458208 379313910 /nfs/dbraw/zinc/31/39/10/379313910.db2.gz NNBQRKSHHJXBGN-LBPRGKRZSA-N 0 0 265.328 2.623 10 30 CFEERN N#CCCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171749805 379394004 /nfs/dbraw/zinc/39/40/04/379394004.db2.gz GCQWMKJUQIWVPV-RYUDHWBXSA-N 0 0 278.302 2.878 10 30 CFEERN N#CC1CCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000335863970 380015817 /nfs/dbraw/zinc/01/58/17/380015817.db2.gz HLFLTAUIGBLYFG-ZDUSSCGKSA-N 0 0 261.369 2.654 10 30 CFEERN C#Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000176285448 380208747 /nfs/dbraw/zinc/20/87/47/380208747.db2.gz BWGHEKCOQSQZQQ-INIZCTEOSA-N 0 0 285.391 2.616 10 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287.359 2.685 10 30 CFEERN N#Cc1cccc(NCc2ccnc(OCC3CC3)c2)n1 ZINC000301277819 382133403 /nfs/dbraw/zinc/13/34/03/382133403.db2.gz MOLVZCOLMUBNLG-UHFFFAOYSA-N 0 0 280.331 2.749 10 30 CFEERN N#Cc1c(F)cccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000187273444 382142740 /nfs/dbraw/zinc/14/27/40/382142740.db2.gz DLGDHMPDAFKLBN-CQSZACIVSA-N 0 0 282.274 2.561 10 30 CFEERN C[C@H](CNc1c(Cl)cccc1C#N)N1CCOC[C@@H]1C ZINC000301382708 382165198 /nfs/dbraw/zinc/16/51/98/382165198.db2.gz AWTJHCSNIBLIAZ-NEPJUHHUSA-N 0 0 293.798 2.733 10 30 CFEERN C[C@H](CNc1c(Cl)cccc1C#N)N1CCOC[C@H]1C ZINC000301382713 382165219 /nfs/dbraw/zinc/16/52/19/382165219.db2.gz AWTJHCSNIBLIAZ-VXGBXAGGSA-N 0 0 293.798 2.733 10 30 CFEERN C=CCO[C@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000302136399 382208391 /nfs/dbraw/zinc/20/83/91/382208391.db2.gz HZMIYCLOEKVMDV-JTQLQIEISA-N 0 0 272.270 2.882 10 30 CFEERN Cc1ccc(NCCc2ccc(N(C)C)cc2)nc1C#N ZINC000302659823 382285115 /nfs/dbraw/zinc/28/51/15/382285115.db2.gz OUVGTAIMORWHCG-UHFFFAOYSA-N 0 0 280.375 2.982 10 30 CFEERN Cc1ccc([C@H](O)CNc2c(C#N)cccc2C#N)cc1 ZINC000302824981 382328455 /nfs/dbraw/zinc/32/84/55/382328455.db2.gz GNYCRASHZRSGDV-MRXNPFEDSA-N 0 0 277.327 2.884 10 30 CFEERN COc1cc(CNc2c(C#N)cccc2C#N)ccc1O ZINC000302857688 382336090 /nfs/dbraw/zinc/33/60/90/382336090.db2.gz SOVPSSXDUFHZND-UHFFFAOYSA-N 0 0 279.299 2.756 10 30 CFEERN COc1ccccc1Oc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302721732 382301192 /nfs/dbraw/zinc/30/11/92/382301192.db2.gz LMUDLCFVIGTUBG-UHFFFAOYSA-N 0 0 271.232 2.662 10 30 CFEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1F ZINC000306152016 382453348 /nfs/dbraw/zinc/45/33/48/382453348.db2.gz BKHXRAHSEPCRIW-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN N#CCc1ccc(Br)c([N+](=O)[O-])c1F ZINC000306487931 382457013 /nfs/dbraw/zinc/45/70/13/382457013.db2.gz QIASPBVEABENRI-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN N#Cc1ccc(Cl)cc1NC(=O)C#CBr ZINC000307278451 382465509 /nfs/dbraw/zinc/46/55/09/382465509.db2.gz UOVACLOWTCGMDU-UHFFFAOYSA-N 0 0 283.512 2.506 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cc(O)ccc1Br ZINC000315445680 382528511 /nfs/dbraw/zinc/52/85/11/382528511.db2.gz PXKIFDLVLUAIEA-TVQRCGJNSA-N 0 0 295.180 2.937 10 30 CFEERN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC000328608988 382553245 /nfs/dbraw/zinc/55/32/45/382553245.db2.gz BVOZBPVMVINBFA-MDZLAQPJSA-N 0 0 282.384 2.761 10 30 CFEERN CCCc1n[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000328610883 382554513 /nfs/dbraw/zinc/55/45/13/382554513.db2.gz JLXQKGMRKASGNY-BXUZGUMPSA-N 0 0 279.384 2.728 10 30 CFEERN N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000000501449 169657576 /nfs/dbraw/zinc/65/75/76/169657576.db2.gz QAPVVWGZKXQSCU-UHFFFAOYSA-N 0 0 269.753 2.950 10 30 CFEERN C=CCC1(C(=O)N2CCO[C@H](c3nccs3)C2)CCC1 ZINC000191554061 382701392 /nfs/dbraw/zinc/70/13/92/382701392.db2.gz BQXXNUPLSPMZAU-LBPRGKRZSA-N 0 0 292.404 2.789 10 30 CFEERN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191574714 382701416 /nfs/dbraw/zinc/70/14/16/382701416.db2.gz ODTAWFGZRCWFFP-UKRRQHHQSA-N 0 0 289.375 2.683 10 30 CFEERN N#Cc1c(F)cccc1C(=O)COc1ccccc1 ZINC000575243241 382732732 /nfs/dbraw/zinc/73/27/32/382732732.db2.gz YEBCFHIGWOENSQ-UHFFFAOYSA-N 0 0 255.248 2.959 10 30 CFEERN N#Cc1ccc(C(F)(F)F)c(OC(F)(F)F)n1 ZINC000575374262 382762038 /nfs/dbraw/zinc/76/20/38/382762038.db2.gz FUNTWGZGBZRWHM-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1cnc(OC(F)(F)F)cc1C(F)(F)F ZINC000575374374 382762075 /nfs/dbraw/zinc/76/20/75/382762075.db2.gz UQXWCYPWBLJLIC-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(CC)c(C#N)c1 ZINC000575382442 382762880 /nfs/dbraw/zinc/76/28/80/382762880.db2.gz LOVLAXRIBQIVNN-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1ccc(Br)c(C#N)c1CC ZINC000575382984 382763125 /nfs/dbraw/zinc/76/31/25/382763125.db2.gz UFLNRBPJNWIGDY-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1Cl ZINC000575383073 382763248 /nfs/dbraw/zinc/76/32/48/382763248.db2.gz FOVFTGCHYMGCPD-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1CC ZINC000575382470 382763266 /nfs/dbraw/zinc/76/32/66/382763266.db2.gz OGRMGUQDNNZMLG-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)c1ccc(Cl)c(OC(F)F)c1C#N ZINC000575382543 382763319 /nfs/dbraw/zinc/76/33/19/382763319.db2.gz YOQRYMZYXXTJIO-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN COC(=O)c1c(Cl)ccc(OC(F)(F)F)c1C#N ZINC000575383503 382763409 /nfs/dbraw/zinc/76/34/09/382763409.db2.gz YBTFIAYOHCFQDB-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)c1cc(Cl)cc(OC(F)(F)F)c1C#N ZINC000575383538 382763450 /nfs/dbraw/zinc/76/34/50/382763450.db2.gz ZDWXULJWUXPSBG-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN CCOC(=O)c1cc(CC)c(OC(F)F)cc1C#N ZINC000575385321 382763824 /nfs/dbraw/zinc/76/38/24/382763824.db2.gz KWGVJHDBAWCPOE-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)F)c(CC)c1 ZINC000575385280 382763884 /nfs/dbraw/zinc/76/38/84/382763884.db2.gz IGKYOYKNSPDPKQ-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1cc(C(F)F)cc(C#N)c1OC(F)F ZINC000575385261 382763916 /nfs/dbraw/zinc/76/39/16/382763916.db2.gz HCPQCQZPIGHNJL-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1CC ZINC000575385266 382763927 /nfs/dbraw/zinc/76/39/27/382763927.db2.gz HKZZDLWLFRYPRH-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCc1ccc(C(=O)OC)c(OC(F)F)c1C#N ZINC000575385285 382763958 /nfs/dbraw/zinc/76/39/58/382763958.db2.gz INTHUNJXKSAACN-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)c1ccc(OC(F)F)c(CC)c1C#N ZINC000575385510 382764108 /nfs/dbraw/zinc/76/41/08/382764108.db2.gz WPJWSXQCPMIGFH-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)c(C#N)c(C(F)F)c1 ZINC000575385457 382764110 /nfs/dbraw/zinc/76/41/10/382764110.db2.gz RSNXQQGUOHSWKR-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)F)c1CC ZINC000575385393 382764130 /nfs/dbraw/zinc/76/41/30/382764130.db2.gz OAYALFIEYCMSDQ-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)cc(C#N)c1C(F)F ZINC000575385409 382764196 /nfs/dbraw/zinc/76/41/96/382764196.db2.gz OQKIMIQXVRGOCR-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCc1cc(CC(=O)OC)c(OC(F)(F)F)cc1C#N ZINC000575388937 382765181 /nfs/dbraw/zinc/76/51/81/382765181.db2.gz LZFFUQFUWFKFIO-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCOC(=O)c1c(C)cc(C#N)cc1OC(F)F ZINC000575388835 382765303 /nfs/dbraw/zinc/76/53/03/382765303.db2.gz XOZFVZLZVYLQGN-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1ccc(C(F)(F)F)c(C(=O)OC)c1C#N ZINC000575389309 382765434 /nfs/dbraw/zinc/76/54/34/382765434.db2.gz GBGLCYMUTCMFET-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1[N+](=O)[O-] ZINC000575389679 382765763 /nfs/dbraw/zinc/76/57/63/382765763.db2.gz YSAXEPFIKMGGTM-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCc1c(C#N)ccc(CC(=O)OC)c1C(F)F ZINC000575389422 382765811 /nfs/dbraw/zinc/76/58/11/382765811.db2.gz HGUSTEORLVSGLY-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)c1ccc(C=O)c(C#N)c1C(F)(F)F ZINC000575391002 382766395 /nfs/dbraw/zinc/76/63/95/382766395.db2.gz NUJMXPQSVARLPZ-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1c(OC(F)(F)F)ccc(F)c1C#N ZINC000575390549 382766476 /nfs/dbraw/zinc/76/64/76/382766476.db2.gz WEUJXSKFYKCXKT-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1ccc(C#N)c(SC(F)(F)F)c1C=O ZINC000575391715 382766673 /nfs/dbraw/zinc/76/66/73/382766673.db2.gz QQSLYJCSRMTNJH-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1ccc(C=O)c(C#N)c1SC(F)(F)F ZINC000575391037 382766787 /nfs/dbraw/zinc/76/67/87/382766787.db2.gz FKUOCFFDPTXUFV-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)c(C=O)cc1C#N ZINC000575391321 382766804 /nfs/dbraw/zinc/76/68/04/382766804.db2.gz UGKRDBPTGUYHSX-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1c(O)ccc(C#N)c1SC(F)(F)F ZINC000575392374 382767044 /nfs/dbraw/zinc/76/70/44/382767044.db2.gz WRNPURMZTWDHRW-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1c(C#N)ccc(OC)c1SC(F)(F)F ZINC000575394586 382768241 /nfs/dbraw/zinc/76/82/41/382768241.db2.gz LOBGNRWDWTVKAO-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1c(C#N)cc(OC(F)(F)F)cc1OC ZINC000575395150 382768518 /nfs/dbraw/zinc/76/85/18/382768518.db2.gz YKQCFVACLLFAFR-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)cc1C(F)(F)F ZINC000575395170 382768571 /nfs/dbraw/zinc/76/85/71/382768571.db2.gz QBXRCZMQMAVALT-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C)c1C(F)(F)F ZINC000575395339 382768792 /nfs/dbraw/zinc/76/87/92/382768792.db2.gz ZPEGZZBFSPTSFL-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)Cc1cc(C)c(OC(F)(F)F)c(C#N)c1 ZINC000575395263 382769026 /nfs/dbraw/zinc/76/90/26/382769026.db2.gz VEMWKXLLTQSEHV-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COc1c(C=O)cccc1Oc1ccc(C#N)cn1 ZINC000575434268 382770863 /nfs/dbraw/zinc/77/08/63/382770863.db2.gz KPWOUKWLWNWPIR-UHFFFAOYSA-N 0 0 254.245 2.567 10 30 CFEERN C#C[C@@H](C)Nc1ccc(I)cc1F ZINC000575492553 382773128 /nfs/dbraw/zinc/77/31/28/382773128.db2.gz JAIJYUKBBVCPIL-SSDOTTSWSA-N 0 0 289.091 2.864 10 30 CFEERN N#CCc1cc(N)c(OC(F)F)cc1Br ZINC000575714451 382794559 /nfs/dbraw/zinc/79/45/59/382794559.db2.gz ONBCDKGVRBBITB-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1cc(OC(F)F)cc(CC#N)c1C=O ZINC000575657374 382780036 /nfs/dbraw/zinc/78/00/36/382780036.db2.gz UJYJYWIZRPHQNZ-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN N#CCc1c(C(F)(F)F)ccc(N)c1OC(F)F ZINC000575716469 382794901 /nfs/dbraw/zinc/79/49/01/382794901.db2.gz BREVIVPGVGICSX-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCOc1cc([N+](=O)[O-])c(C(F)F)cc1CC#N ZINC000575667082 382782818 /nfs/dbraw/zinc/78/28/18/382782818.db2.gz IRNMHAKKLSSTJM-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OCC)c1OC(F)F ZINC000575669917 382783273 /nfs/dbraw/zinc/78/32/73/382783273.db2.gz AKMUWDRFAXAFFC-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1ccc(I)c(C#N)c1C ZINC000575670035 382783623 /nfs/dbraw/zinc/78/36/23/382783623.db2.gz BIYQBMUKFBKEGX-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(C#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575670120 382783660 /nfs/dbraw/zinc/78/36/60/382783660.db2.gz FSWPFLABVOFIGQ-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1c(OC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575670480 382783662 /nfs/dbraw/zinc/78/36/62/382783662.db2.gz IUEITPBJMCQNOG-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOC(=O)c1ccc(OCC)c(C#N)c1OCC ZINC000575670426 382783704 /nfs/dbraw/zinc/78/37/04/382783704.db2.gz HLHONZZZKJZKNN-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOc1c(C)c(I)ccc1C#N ZINC000575671937 382783943 /nfs/dbraw/zinc/78/39/43/382783943.db2.gz ZJJDCOIPNYSKGS-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OCC)cc1OCC ZINC000575671781 382783999 /nfs/dbraw/zinc/78/39/99/382783999.db2.gz XHSGSAUQPRTPNR-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOc1ccc(I)c(C#N)c1F ZINC000575671042 382784025 /nfs/dbraw/zinc/78/40/25/382784025.db2.gz SHTDPAXPCOJUJL-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c(F)cc(I)cc1C#N ZINC000575671329 382784043 /nfs/dbraw/zinc/78/40/43/382784043.db2.gz WLLZMQNECOEKRF-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN N#Cc1cc(Cl)cc(Br)c1[N+](=O)[O-] ZINC000575678816 382785170 /nfs/dbraw/zinc/78/51/70/382785170.db2.gz ZLWYSLGLASUHSH-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COc1c(CC#N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575679487 382785667 /nfs/dbraw/zinc/78/56/67/382785667.db2.gz UGTOWMSEKQYFHV-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1cc(Br)cc(Br)c1N ZINC000575716958 382795208 /nfs/dbraw/zinc/79/52/08/382795208.db2.gz ZQJSZVOSGYWNNE-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#CCc1cc(OC(F)F)c(O)cc1Br ZINC000575681825 382786139 /nfs/dbraw/zinc/78/61/39/382786139.db2.gz DPTKXBDEVOJFKD-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(N)cc(OC(F)F)c1C(F)(F)F ZINC000575717308 382795243 /nfs/dbraw/zinc/79/52/43/382795243.db2.gz MMRUXGZUXQULBA-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCc1cc(I)c(CC#N)cc1N ZINC000575717659 382795318 /nfs/dbraw/zinc/79/53/18/382795318.db2.gz KGAXYFBCSVSCCF-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(F)c(F)cc1I ZINC000575694707 382789413 /nfs/dbraw/zinc/78/94/13/382789413.db2.gz HURYMYNBDTXFSK-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN N#Cc1c(O)c(OC(F)(F)F)ccc1Br ZINC000575692193 382789506 /nfs/dbraw/zinc/78/95/06/382789506.db2.gz VJGWGWSSMIGGEM-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)cc(Cl)c1C#N ZINC000575342978 382759295 /nfs/dbraw/zinc/75/92/95/382759295.db2.gz FGASEOITOGHSIG-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(Br)c(C#N)cc1CC ZINC000575341634 382759429 /nfs/dbraw/zinc/75/94/29/382759429.db2.gz XBDGYJQKJFELON-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(Cl)cc1C#N ZINC000575342967 382759467 /nfs/dbraw/zinc/75/94/67/382759467.db2.gz BGOWRNYEERLMMV-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)cc(Cl)c1C#N ZINC000575343000 382759677 /nfs/dbraw/zinc/75/96/77/382759677.db2.gz KXKMXLSDFLLEEU-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1Cl ZINC000575343044 382759678 /nfs/dbraw/zinc/75/96/78/382759678.db2.gz XAHXBHQVKUHJEB-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN COC(=O)c1cc(OC(F)F)cc(C#N)c1Cl ZINC000575343041 382759719 /nfs/dbraw/zinc/75/97/19/382759719.db2.gz WKRLHFABJGEQAS-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(Cl)cc1OC(F)F ZINC000575343030 382759736 /nfs/dbraw/zinc/75/97/36/382759736.db2.gz UGCSKDMEYHJBBR-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN COC(=O)Cc1c(Cl)cc(OC(F)F)cc1C#N ZINC000575343051 382759744 /nfs/dbraw/zinc/75/97/44/382759744.db2.gz YTFYEDUTGRFERO-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC)cc1C(F)F ZINC000575343645 382759952 /nfs/dbraw/zinc/75/99/52/382759952.db2.gz UZUAVSNBCZVVDD-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575343998 382760054 /nfs/dbraw/zinc/76/00/54/382760054.db2.gz LXJLIUBQRPHPFT-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)c1c(C(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575344068 382760067 /nfs/dbraw/zinc/76/00/67/382760067.db2.gz OAVMWNVZNVJGJN-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1[N+](=O)[O-] ZINC000575344211 382760086 /nfs/dbraw/zinc/76/00/86/382760086.db2.gz VJIZPXXALZBDIN-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc(OC)c1C#N ZINC000575343624 382760126 /nfs/dbraw/zinc/76/01/26/382760126.db2.gz SGUYGEREMQVLMY-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1C ZINC000575343917 382760138 /nfs/dbraw/zinc/76/01/38/382760138.db2.gz JNCCAHBGGHAKHE-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1F ZINC000575345051 382760326 /nfs/dbraw/zinc/76/03/26/382760326.db2.gz SGHUONPZVXOTAV-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1 ZINC000575345235 382760363 /nfs/dbraw/zinc/76/03/63/382760363.db2.gz LWYLNSWXNZKDEH-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)CCCC(=O)c1ccc(C#N)c(F)c1 ZINC000575361941 382761347 /nfs/dbraw/zinc/76/13/47/382761347.db2.gz SEDHMFGKDNJKEP-UHFFFAOYSA-N 0 0 263.268 2.613 10 30 CFEERN CCC(CC)[C@H](O)CNc1cc(C)nc(C)c1C#N ZINC000227593661 382838004 /nfs/dbraw/zinc/83/80/04/382838004.db2.gz GEXDTLXAIWROLC-OAHLLOKOSA-N 0 0 261.369 2.779 10 30 CFEERN CC#CCNc1ncc(Br)cc1Cl ZINC000232456384 382868760 /nfs/dbraw/zinc/86/87/60/382868760.db2.gz TUAIXRFFCAHDNC-UHFFFAOYSA-N 0 0 259.534 2.933 10 30 CFEERN CO[C@H](c1noc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000234731002 382874923 /nfs/dbraw/zinc/87/49/23/382874923.db2.gz UBDAFIJWIPFERY-LBPRGKRZSA-N 0 0 255.277 2.706 10 30 CFEERN N#CC(C#N)=NNc1ccc(OCC2CCC2)cc1 ZINC000606303825 383132261 /nfs/dbraw/zinc/13/22/61/383132261.db2.gz WVABVZKQLKFKIR-UHFFFAOYSA-N 0 0 254.293 2.681 10 30 CFEERN CSc1sc(C#N)c2c1-c1snnc1CC2 ZINC000584649076 383113524 /nfs/dbraw/zinc/11/35/24/383113524.db2.gz XWMITQPNRRKNBU-UHFFFAOYSA-N 0 0 265.388 2.959 10 30 CFEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000248397835 383235030 /nfs/dbraw/zinc/23/50/30/383235030.db2.gz MLLFAZHSDJOSHZ-OAGGEKHMSA-N 0 0 286.375 2.963 10 30 CFEERN COc1ccccc1C=Nn1c(SC)nnc1C(F)F ZINC000254384025 383467242 /nfs/dbraw/zinc/46/72/42/383467242.db2.gz IWCPIWFVXAYHNZ-UHFFFAOYSA-N 0 0 298.318 2.828 10 30 CFEERN CCCc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1 ZINC000254524860 383469605 /nfs/dbraw/zinc/46/96/05/383469605.db2.gz WVAVMJVUYAXRQP-UHFFFAOYSA-N 0 0 292.360 2.545 10 30 CFEERN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H](C#N)C2)C1 ZINC000260812987 383506334 /nfs/dbraw/zinc/50/63/34/383506334.db2.gz UDWXJBGBCPVEAE-BXUZGUMPSA-N 0 0 250.342 2.937 10 30 CFEERN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](C#N)C2)C1 ZINC000260813002 383506510 /nfs/dbraw/zinc/50/65/10/383506510.db2.gz UDWXJBGBCPVEAE-SMDDNHRTSA-N 0 0 250.342 2.937 10 30 CFEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(C)cc1C ZINC000268865103 384680474 /nfs/dbraw/zinc/68/04/74/384680474.db2.gz NPFIFVJLBVOBNV-CYBMUJFWSA-N 0 0 267.394 2.860 10 30 CFEERN CCN(C(=O)C#CBr)c1cccc(C)c1 ZINC000306552184 393507892 /nfs/dbraw/zinc/50/78/92/393507892.db2.gz AVDRJQFDJXSLKN-UHFFFAOYSA-N 0 0 266.138 2.704 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000335755025 393698049 /nfs/dbraw/zinc/69/80/49/393698049.db2.gz SDKVIVNYPQQIKX-HZGVNTEJSA-N 0 0 286.228 2.665 10 30 CFEERN N#CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000218950151 393759389 /nfs/dbraw/zinc/75/93/89/393759389.db2.gz CJSPYRKPIBSDJZ-CGTJXYLNSA-N 0 0 282.387 2.974 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CCC[C@@H]21 ZINC000336000112 393713735 /nfs/dbraw/zinc/71/37/35/393713735.db2.gz YFKUJUFYUPGUBF-UWVGGRQHSA-N 0 0 267.254 2.961 10 30 CFEERN Cc1cc(N2C[C@H]3CCC[C@@H]32)c(C#N)cc1[N+](=O)[O-] ZINC000413153643 393779587 /nfs/dbraw/zinc/77/95/87/393779587.db2.gz HRQKGMCJIDRNLP-PWSUYJOCSA-N 0 0 257.293 2.764 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Cl ZINC000093655730 393804821 /nfs/dbraw/zinc/80/48/21/393804821.db2.gz FWNZGASATWJJGW-GZMMTYOYSA-N 0 0 266.703 2.901 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000111399688 393885951 /nfs/dbraw/zinc/88/59/51/393885951.db2.gz OYGWRKAOYVTNCR-QWHCGFSZSA-N 0 0 253.305 2.590 10 30 CFEERN CC[C@@H](C#N)NC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000123769333 393987099 /nfs/dbraw/zinc/98/70/99/393987099.db2.gz UVWTYRFUBARQDB-NSHDSACASA-N 0 0 255.321 2.817 10 30 CFEERN CCCO[C@H]1CCCN(c2ccc(N)cc2C#N)C1 ZINC000042421255 134889738 /nfs/dbraw/zinc/88/97/38/134889738.db2.gz WUTFXVYYPXFHRF-AWEZNQCLSA-N 0 0 259.353 2.536 10 30 CFEERN O=C(OCC(F)(F)C(F)(F)C(F)(F)F)n1ccnc1 ZINC000169804809 394370962 /nfs/dbraw/zinc/37/09/62/394370962.db2.gz GHAMEXCIEMOKOT-UHFFFAOYSA-N 0 0 294.126 2.701 10 30 CFEERN O=CC1CC(OCc2ccc(Br)cc2)C1 ZINC000606302788 395113296 /nfs/dbraw/zinc/11/32/96/395113296.db2.gz WNRQVCBNKLZFES-UHFFFAOYSA-N 0 0 269.138 2.943 10 30 CFEERN C=CCCC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405866031 543025353 /nfs/dbraw/zinc/02/53/53/543025353.db2.gz RXHGMFQKZMYIFZ-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN N#CCNc1c(Br)cncc1Br ZINC000307760668 397645511 /nfs/dbraw/zinc/64/55/11/397645511.db2.gz WKUHWXKCIHYRQK-UHFFFAOYSA-N 0 0 290.946 2.542 10 30 CFEERN CC/N=C1/S/C(=C/c2ccc(C)o2)C(=O)N1CC ZINC000102947163 397594722 /nfs/dbraw/zinc/59/47/22/397594722.db2.gz OPYCNPOYKAAHKN-ZOBWXTBZSA-N 0 0 264.350 2.900 10 30 CFEERN C#CCOC(=O)Nc1ccc(Br)c(C)c1 ZINC000307019721 397643145 /nfs/dbraw/zinc/64/31/45/397643145.db2.gz SHPFJLQCKOKBDI-UHFFFAOYSA-N 0 0 268.110 2.939 10 30 CFEERN COc1ccc(C)cc1-n1c(C)c(C)c(C#N)c1N ZINC000036938808 286292216 /nfs/dbraw/zinc/29/22/16/286292216.db2.gz FFOZGPQIFGLNGG-UHFFFAOYSA-N 0 0 255.321 2.865 10 30 CFEERN CC(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)CC[C@@]3(C)[C@@]1(C)[C@@]21CO1 ZINC000005497694 170104903 /nfs/dbraw/zinc/10/49/03/170104903.db2.gz HNEGCRMUYSKRRR-RGGMIXCSSA-N 0 0 292.375 2.611 10 30 CFEERN C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)/C=C/C(C)(C)O)O1 ZINC000005520911 170107714 /nfs/dbraw/zinc/10/77/14/170107714.db2.gz WQUKMIHCFQFPQG-RVMNGOOCSA-N 0 0 252.354 2.642 10 30 CFEERN COc1ccc(CN=Nc2ccccn2)c(OC)c1OC ZINC000005694565 170130029 /nfs/dbraw/zinc/13/00/29/170130029.db2.gz ZFSCKBHLUILGCT-LICLKQGHSA-N 0 0 287.319 2.553 10 30 CFEERN Cc1ccc(N2N=C(C#N)NN2c2ccc(C)cc2)cc1 ZINC000006070919 170174363 /nfs/dbraw/zinc/17/43/63/170174363.db2.gz OXBMYOAJMUANKH-UHFFFAOYSA-N 0 0 277.331 2.887 10 30 CFEERN C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccco1 ZINC000006282162 170188411 /nfs/dbraw/zinc/18/84/11/170188411.db2.gz DSZYXGGCLBOLJZ-QINSGFPZSA-N 0 0 292.360 2.599 10 30 CFEERN S=c1[nH]nc(NN=Cc2ccc(Br)cc2)[nH]1 ZINC000006331911 170192764 /nfs/dbraw/zinc/19/27/64/170192764.db2.gz VWAZDRTULWNHSC-VZUCSPMQSA-N 0 0 298.169 2.676 10 30 CFEERN N#CCNC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006593777 170217298 /nfs/dbraw/zinc/21/72/98/170217298.db2.gz QJDVLKFGQWZPGB-SSZFMOIBSA-N 0 0 262.312 2.867 10 30 CFEERN COC(=O)/C(=N\Nc1ccccc1Cl)N1CCCCC1 ZINC000007060800 170265380 /nfs/dbraw/zinc/26/53/80/170265380.db2.gz HUZALZAUKCAIIW-GHRIWEEISA-N 0 0 295.770 2.724 10 30 CFEERN COC(=O)/C(=N\Nc1ccc(Cl)cc1)N1CCCCC1 ZINC000007060766 170265418 /nfs/dbraw/zinc/26/54/18/170265418.db2.gz OLIABPPHXHAQLT-GHRIWEEISA-N 0 0 295.770 2.724 10 30 CFEERN C[C@H]1[C@H](NS(=O)(=O)c2ccccc2C#N)CCC[C@@H]1C ZINC000007377380 170280771 /nfs/dbraw/zinc/28/07/71/170280771.db2.gz GLWIYHARSAAZQA-OUCADQQQSA-N 0 0 292.404 2.661 10 30 CFEERN C=C(C)COc1ccc(NC(=O)CC(=O)OCC)cc1 ZINC000009813914 170386019 /nfs/dbraw/zinc/38/60/19/170386019.db2.gz ROFXTNAZOYFCOM-UHFFFAOYSA-N 0 0 277.320 2.533 10 30 CFEERN COc1cc(O[C@H](C)C#N)ccc1Br ZINC000011944566 170459791 /nfs/dbraw/zinc/45/97/91/170459791.db2.gz ARALWUCLZWACMR-SSDOTTSWSA-N 0 0 256.099 2.749 10 30 CFEERN N#C[C@H](CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000015783118 170677234 /nfs/dbraw/zinc/67/72/34/170677234.db2.gz FYDGIGBESWYARA-SNVBAGLBSA-N 0 0 285.174 2.933 10 30 CFEERN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1C#N ZINC000019966983 170948438 /nfs/dbraw/zinc/94/84/38/170948438.db2.gz VLPPRUJVFBINTC-UHFFFAOYSA-N 0 0 276.295 2.596 10 30 CFEERN COc1cc([C@@H](C#N)NCC(C)C)cc(OC)c1OC ZINC000020176094 171042266 /nfs/dbraw/zinc/04/22/66/171042266.db2.gz ZUJCTQFVJUJIMT-GFCCVEGCSA-N 0 0 278.352 2.523 10 30 CFEERN COCCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000020177158 171042898 /nfs/dbraw/zinc/04/28/98/171042898.db2.gz BZOHJCLRASOQMN-JTQLQIEISA-N 0 0 259.136 2.794 10 30 CFEERN C[C@@H](C#N)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000020223401 171086022 /nfs/dbraw/zinc/08/60/22/171086022.db2.gz IVVWCINIVIIYIF-NSHDSACASA-N 0 0 265.378 2.917 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cccc(Br)c1 ZINC000020312417 171144635 /nfs/dbraw/zinc/14/46/35/171144635.db2.gz GZBCSYKBZRTCCN-SECBINFHSA-N 0 0 283.169 2.552 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020314086 171145588 /nfs/dbraw/zinc/14/55/88/171145588.db2.gz OMBWTVHLAAZVEM-SNVBAGLBSA-N 0 0 252.745 2.751 10 30 CFEERN CC(C)CNC(=O)[C@H](C)N(CCC#N)c1ccccc1 ZINC000020358741 171157419 /nfs/dbraw/zinc/15/74/19/171157419.db2.gz VDGRXOFSMXKWBL-AWEZNQCLSA-N 0 0 273.380 2.567 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000020359170 171158166 /nfs/dbraw/zinc/15/81/66/171158166.db2.gz UFNVBNGDTMVKQE-VIFPVBQESA-N 0 0 288.269 2.688 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccccc1C(F)(F)F ZINC000020359086 171158432 /nfs/dbraw/zinc/15/84/32/171158432.db2.gz PXQWMBXEYFQPFS-VIFPVBQESA-N 0 0 272.270 2.808 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(C)cc1Br ZINC000020360030 171158850 /nfs/dbraw/zinc/15/88/50/171158850.db2.gz FUYFIHPGDSKHFQ-JTQLQIEISA-N 0 0 297.196 2.860 10 30 CFEERN CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363377 171162448 /nfs/dbraw/zinc/16/24/48/171162448.db2.gz MLGKNUXXONVVOX-STQMWFEESA-N 0 0 274.364 2.825 10 30 CFEERN COc1cc(C#N)ccc1Oc1ccccc1CO ZINC000020435299 171201506 /nfs/dbraw/zinc/20/15/06/171201506.db2.gz VLWVEASAAMWREN-UHFFFAOYSA-N 0 0 255.273 2.851 10 30 CFEERN N#CCNC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505375 171228155 /nfs/dbraw/zinc/22/81/55/171228155.db2.gz PAEIIYOKJLPUEG-UHFFFAOYSA-N 0 0 292.553 2.698 10 30 CFEERN 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CFEERN CCCCCN(c1ccnc(/C(N)=N/O)c1)C(C)C ZINC000061813779 520176400 /nfs/dbraw/zinc/17/64/00/520176400.db2.gz GXYICZQVOYBWLA-UHFFFAOYSA-N 0 0 264.373 2.581 10 30 CFEERN CCNc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 ZINC000050788553 520281023 /nfs/dbraw/zinc/28/10/23/520281023.db2.gz ZAOVVTIMKGYMJE-LBPRGKRZSA-N 0 0 259.353 2.740 10 30 CFEERN c1coc(CN=Nc2ncnn2CCCc2ccccc2)c1 ZINC000227149955 518381689 /nfs/dbraw/zinc/38/16/89/518381689.db2.gz ALXZBAVINQLZAS-PDGQHHTCSA-N 0 0 295.346 2.950 10 30 CFEERN CC(C)N(CCC#N)c1c(F)cc(CO)cc1F ZINC000062722268 519641515 /nfs/dbraw/zinc/64/15/15/519641515.db2.gz OUESMDPTLLOKEC-UHFFFAOYSA-N 0 0 254.280 2.586 10 30 CFEERN CC(C)CC[C@@H](C)NC(=O)c1cccc(C#CCCO)c1 ZINC000069235764 519681859 /nfs/dbraw/zinc/68/18/59/519681859.db2.gz QJIDRUZDAJGVRC-OAHLLOKOSA-N 0 0 287.403 2.975 10 30 CFEERN CCCN[C@H](C#N)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471646 520062388 /nfs/dbraw/zinc/06/23/88/520062388.db2.gz GEBFFPPISYONAW-SECBINFHSA-N 0 0 283.715 2.519 10 30 CFEERN 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CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(C)C ZINC000077387297 522680108 /nfs/dbraw/zinc/68/01/08/522680108.db2.gz RMQOVDNOAYHWAS-ZDUSSCGKSA-N 0 0 280.393 2.580 10 30 CFEERN CC[C@H]1CCCC[C@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813944 523065694 /nfs/dbraw/zinc/06/56/94/523065694.db2.gz UBHZVAVDCGHELQ-GXFFZTMASA-N 0 0 263.341 2.524 10 30 CFEERN COc1ccc(C)cc1Nc1nc(C)cc(C#N)n1 ZINC000049657834 523846552 /nfs/dbraw/zinc/84/65/52/523846552.db2.gz HKGNTQWYLGMHGE-UHFFFAOYSA-N 0 0 254.293 2.717 10 30 CFEERN O=C(NCc1ccnc2ccnn21)[C@@H]1CCC(F)(F)C1 ZINC000330047481 534758054 /nfs/dbraw/zinc/75/80/54/534758054.db2.gz JKVIWVUSHJMHLW-SECBINFHSA-N 0 0 280.278 2.621 10 30 CFEERN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2C#CCO)C1 ZINC000049017705 524143542 /nfs/dbraw/zinc/14/35/42/524143542.db2.gz RUVJANKIVQMSLM-GOEBONIOSA-N 0 0 285.387 2.681 10 30 CFEERN Cc1cc(C)c(C#N)c(Sc2ccncc2N)n1 ZINC000050472147 524217933 /nfs/dbraw/zinc/21/79/33/524217933.db2.gz QEAXBBYZGOJPCT-UHFFFAOYSA-N 0 0 256.334 2.699 10 30 CFEERN Cc1ccccc1N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000049990620 525215284 /nfs/dbraw/zinc/21/52/84/525215284.db2.gz UUVDOAJDWJNQEU-UHFFFAOYSA-N 0 0 286.356 2.692 10 30 CFEERN C[C@H](Nc1ccc(C#N)nc1)c1cn(-c2ccccc2)nn1 ZINC000153332210 525646349 /nfs/dbraw/zinc/64/63/49/525646349.db2.gz OZLIJFMVSBGGGF-LBPRGKRZSA-N 0 0 290.330 2.707 10 30 CFEERN C[C@@H](O)c1cccc(OCc2cccnc2C#N)c1 ZINC000061659321 525871458 /nfs/dbraw/zinc/87/14/58/525871458.db2.gz BPIAUAMVWKRCOM-LLVKDONJSA-N 0 0 254.289 2.586 10 30 CFEERN N#Cc1cc([N+](=O)[O-])cnc1Nc1cc(N)ccc1Cl ZINC000050442600 526578369 /nfs/dbraw/zinc/57/83/69/526578369.db2.gz LWKPMEKLCGSLFT-UHFFFAOYSA-N 0 0 289.682 2.841 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000158667069 526640055 /nfs/dbraw/zinc/64/00/55/526640055.db2.gz JBZHBAGPMCYDQW-HOTGVXAUSA-N 0 0 274.339 2.841 10 30 CFEERN N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000069401558 526640594 /nfs/dbraw/zinc/64/05/94/526640594.db2.gz QKAPGYLXBVUOAT-AWEZNQCLSA-N 0 0 276.311 2.527 10 30 CFEERN N#Cc1ccc(NCCC2=CCOCC2)c([N+](=O)[O-])c1 ZINC000158044644 526661386 /nfs/dbraw/zinc/66/13/86/526661386.db2.gz LIKOBHCIFRLLOM-UHFFFAOYSA-N 0 0 273.292 2.615 10 30 CFEERN N#Cc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000161437096 526703531 /nfs/dbraw/zinc/70/35/31/526703531.db2.gz GKVVQADGRLVWKR-CQSZACIVSA-N 0 0 285.372 2.588 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000185467674 526707124 /nfs/dbraw/zinc/70/71/24/526707124.db2.gz CFYKIMWDZBFOND-JSGCOSHPSA-N 0 0 261.369 2.686 10 30 CFEERN N#Cc1ccccc1NC(=O)CCCOC1CCC1 ZINC000050520452 526742277 /nfs/dbraw/zinc/74/22/77/526742277.db2.gz YQRUIKZIRSCNNJ-UHFFFAOYSA-N 0 0 258.321 2.846 10 30 CFEERN Cc1nc(C)c([C@@H](C)Nc2ncc(N)cc2C#N)s1 ZINC000049533769 526747332 /nfs/dbraw/zinc/74/73/32/526747332.db2.gz URYPUZCGMMDAEI-MRVPVSSYSA-N 0 0 273.365 2.782 10 30 CFEERN N#Cc1csc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245512735 526781673 /nfs/dbraw/zinc/78/16/73/526781673.db2.gz AULVIXRNCSKENC-KGLIPLIRSA-N 0 0 262.378 2.763 10 30 CFEERN N#Cc1ncccc1CN1CCc2sccc2C1 ZINC000061664209 526790629 /nfs/dbraw/zinc/79/06/29/526790629.db2.gz RSFXCHHFAZXREF-UHFFFAOYSA-N 0 0 255.346 2.573 10 30 CFEERN N#Cc1ncccc1CSc1ccc(N)cc1F ZINC000061659242 526791031 /nfs/dbraw/zinc/79/10/31/526791031.db2.gz LTBDTZVSISZGHI-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN N/C(=N/O)c1ccc(Cl)cc1N1CCCCCC1 ZINC000062789294 526801472 /nfs/dbraw/zinc/80/14/72/526801472.db2.gz KCRQXUPRZDXCHR-UHFFFAOYSA-N 0 0 267.760 2.815 10 30 CFEERN CC(C)[C@@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccc1 ZINC000330261189 528335269 /nfs/dbraw/zinc/33/52/69/528335269.db2.gz UBNNCMVZWBTKAA-OAHLLOKOSA-N 0 0 288.391 2.754 10 30 CFEERN N#CCc1cnnn1-c1cccc(Cl)c1Cl ZINC000669381384 545549899 /nfs/dbraw/zinc/54/98/99/545549899.db2.gz HOJDCIFAUASLQH-UHFFFAOYSA-N 0 0 253.092 2.640 10 30 CFEERN COc1cc2c(cc1C)C(C(C)C)=CC(=O)[C@]2(C)O ZINC000004098281 560122653 /nfs/dbraw/zinc/12/26/53/560122653.db2.gz VMEKKHYIQYOLHA-MRXNPFEDSA-N 0 0 260.333 2.833 10 30 endogenous,in-man CFEERN O=C(/C=C/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001679520 560183727 /nfs/dbraw/zinc/18/37/27/560183727.db2.gz KPWYLVJFIPLFCW-VAWYXSNFSA-N 0 0 272.325 2.857 10 30 in-vitro CFEERN COC(=O)[C@]1(Cl)O[C@@]1(C)CCCC(F)(F)F ZINC000234590998 567852396 /nfs/dbraw/zinc/85/23/96/567852396.db2.gz SWCNHGFXKFRZEA-CBAPKCEASA-N 0 0 260.639 2.616 10 30 CFEERN CC[C@]1(c2cccc(Br)c2)O[C@@H]1C(=O)OC ZINC000234134108 570412246 /nfs/dbraw/zinc/41/22/46/570412246.db2.gz CFLWXYKNCLNTBA-ZYHUDNBSSA-N 0 0 285.137 2.626 10 30 CFEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)C1CCOCC1 ZINC000187615827 617711902 /nfs/dbraw/zinc/71/19/02/617711902.db2.gz IDGGIWPNXHUMLV-SWLSCSKDSA-N 0 0 270.369 2.574 10 30 CFEERN C=C[C@H](C)NC(=S)NCc1ccc(Cl)cc1 ZINC000757135457 617781827 /nfs/dbraw/zinc/78/18/27/617781827.db2.gz TZPDCCXCABBIJJ-VIFPVBQESA-N 0 0 254.786 2.879 10 30 CFEERN CCOc1ccc(O)c(/C=N\[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000255135844 617989702 /nfs/dbraw/zinc/98/97/02/617989702.db2.gz LBSUVMGHHAGVQZ-MTUBTWAWSA-N 0 0 293.363 2.940 10 30 CFEERN N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158763339 618196012 /nfs/dbraw/zinc/19/60/12/618196012.db2.gz UXOUVJAIWBFSRB-BXKDBHETSA-N 0 0 250.729 2.827 10 30 CFEERN C[C@H](OC(=O)/C=C\c1ccccc1C#N)C1CCOCC1 ZINC000255636203 618236329 /nfs/dbraw/zinc/23/63/29/618236329.db2.gz JMJXJLVGLIMKLP-FWWRYZNZSA-N 0 0 285.343 2.930 10 30 CFEERN C#C[C@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC000179533541 618325384 /nfs/dbraw/zinc/32/53/84/618325384.db2.gz OZTKYWHQQOJRGX-INIZCTEOSA-N 0 0 254.329 2.673 10 30 CFEERN Cc1sc(Cl)nc1C(=O)O[C@H]1CCC[C@@H]1C#N ZINC000892898665 618765126 /nfs/dbraw/zinc/76/51/26/618765126.db2.gz CXVYEEYBZYBBMZ-SFYZADRCSA-N 0 0 270.741 2.954 10 30 CFEERN C#CCNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000048845545 619476117 /nfs/dbraw/zinc/47/61/17/619476117.db2.gz HPWWPIYSMSDQTI-GFCCVEGCSA-N 0 0 258.365 2.978 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168629858 623098643 /nfs/dbraw/zinc/09/86/43/623098643.db2.gz NEONLKBYEUTYCC-MWLCHTKSSA-N 0 0 293.710 2.670 10 30 CFEERN O=C1/C(=C\[C@@H]2CCCO2)CCC/C1=C/[C@@H]1CCCO1 ZINC000229806435 623223932 /nfs/dbraw/zinc/22/39/32/623223932.db2.gz ARRYBWWRTWOEAQ-OOOOLCSXSA-N 0 0 262.349 2.950 10 30 CFEERN C#CCCCOC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171960608 623250157 /nfs/dbraw/zinc/25/01/57/623250157.db2.gz VWZGPLXONSAQHS-WBVHZDCISA-N 0 0 299.370 2.553 10 30 CFEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000174448535 623420283 /nfs/dbraw/zinc/42/02/83/623420283.db2.gz AAKWGXXUOMFXAR-JMJZKYOTSA-N 0 0 250.244 2.633 10 30 CFEERN CCCCCCCCOCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000152085894 623640453 /nfs/dbraw/zinc/64/04/53/623640453.db2.gz WMACZINDMYQMQG-CABCVRRESA-N 0 0 285.428 2.783 10 30 CFEERN C=CCC[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000089318871 623760815 /nfs/dbraw/zinc/76/08/15/623760815.db2.gz MVRGNXBFFFZXIW-VXGBXAGGSA-N 0 0 271.357 2.655 10 30 CFEERN CN(CCC#N)C(=O)c1cc2sc(Cl)cc2n1C ZINC000064551933 624949037 /nfs/dbraw/zinc/94/90/37/624949037.db2.gz JGBLRQUZPPIUAF-UHFFFAOYSA-N 0 0 281.768 2.879 10 30 CFEERN COc1ccccc1[C@@H](CC=O)NC(=O)OC(C)(C)C ZINC000238364938 625033234 /nfs/dbraw/zinc/03/32/34/625033234.db2.gz DLDNPZIDCREQIJ-GFCCVEGCSA-N 0 0 279.336 2.850 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000186016847 625818400 /nfs/dbraw/zinc/81/84/00/625818400.db2.gz SVLDJSKIZHIXCB-TYNCELHUSA-N 0 0 256.349 2.946 10 30 CFEERN C[C@H](OC(=O)c1sccc1C#N)C1CCOCC1 ZINC000156092482 650043402 /nfs/dbraw/zinc/04/34/02/650043402.db2.gz CWDNLLSWORNOPH-VIFPVBQESA-N 0 0 265.334 2.592 10 30 CFEERN C#CCOc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000188090860 650314684 /nfs/dbraw/zinc/31/46/84/650314684.db2.gz NCAFCAULKBBAHC-LBPRGKRZSA-N 0 0 260.337 2.865 10 30 CFEERN C#CCSCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000122023481 638924332 /nfs/dbraw/zinc/92/43/32/638924332.db2.gz GFCPNSVBUFOKOX-UONOGXRCSA-N 0 0 265.422 2.685 10 30 CFEERN C=CCOc1ccc(C(=O)O[C@@H](C)COCC)cc1OC ZINC000190781079 650458570 /nfs/dbraw/zinc/45/85/70/650458570.db2.gz ZHZOWVBMSLYALW-LBPRGKRZSA-N 0 0 294.347 2.842 10 30 CFEERN C=CCOc1ccccc1C(=O)O[C@@H](C)COCC ZINC000190792590 650460143 /nfs/dbraw/zinc/46/01/43/650460143.db2.gz HCVQFGYTQKHTAX-LBPRGKRZSA-N 0 0 264.321 2.833 10 30 CFEERN C[C@H](O)c1cccc(OCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000193058618 650620310 /nfs/dbraw/zinc/62/03/10/650620310.db2.gz FKTMBAPPUHQHFC-LBPRGKRZSA-N 0 0 296.326 2.629 10 30 CFEERN Cc1ccc(C=Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000250927620 650981619 /nfs/dbraw/zinc/98/16/19/650981619.db2.gz XWSVBQQOTWRZKT-UHFFFAOYSA-N 0 0 296.286 2.823 10 30 CFEERN CCCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OC ZINC000096193654 650986824 /nfs/dbraw/zinc/98/68/24/650986824.db2.gz HUIMHZUPCLSKMF-WQLSENKSSA-N 0 0 275.304 2.800 10 30 CFEERN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000082316741 177960940 /nfs/dbraw/zinc/96/09/40/177960940.db2.gz SJCUWCJMYYYAQI-TZMCWYRMSA-N 0 0 263.362 2.851 10 30 CFEERN N#C[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1 ZINC000594683734 349474151 /nfs/dbraw/zinc/47/41/51/349474151.db2.gz AYJLBTBTRBXXNJ-ZIAGYGMSSA-N 0 0 257.337 2.568 10 30 CFEERN C/C=C\C(=O)Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000095935753 185033499 /nfs/dbraw/zinc/03/34/99/185033499.db2.gz XVPFTHOJUVFFOH-XQRVVYSFSA-N 0 0 278.333 2.620 10 30 CFEERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000182007752 282101237 /nfs/dbraw/zinc/10/12/37/282101237.db2.gz JTUZKRBUYYWICL-NHYWBVRUSA-N 0 0 281.363 2.644 10 30 CFEERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000182007772 282106335 /nfs/dbraw/zinc/10/63/35/282106335.db2.gz JTUZKRBUYYWICL-XHDPSFHLSA-N 0 0 281.363 2.644 10 30 CFEERN N#CCc1cnc2c(Br)cc(Cl)cn12 ZINC000082693714 178188031 /nfs/dbraw/zinc/18/80/31/178188031.db2.gz ISGOIJSYRQLFMN-UHFFFAOYSA-N 0 0 270.517 2.816 10 30 CFEERN N#CCc1cn2cc(Br)cc(Cl)c2n1 ZINC000082694278 178189063 /nfs/dbraw/zinc/18/90/63/178189063.db2.gz HLDNGWRRPUEBFX-UHFFFAOYSA-N 0 0 270.517 2.816 10 30 CFEERN C=CC[C@@H]1[C@@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000083331989 178380924 /nfs/dbraw/zinc/38/09/24/178380924.db2.gz UFIGRANCXYGHPY-CABCVRRESA-N 0 0 275.348 2.725 10 30 CFEERN C=C(C)CN1c2cc(NC(=O)CCC)ccc2OCC1=O ZINC000012295998 136378830 /nfs/dbraw/zinc/37/88/30/136378830.db2.gz OQIZZGCVZWRFKI-UHFFFAOYSA-N 0 0 288.347 2.727 10 30 CFEERN C=C(C)CN1c2cc(NC(=O)CC)ccc2O[C@H](C)C1=O ZINC000012295893 136378884 /nfs/dbraw/zinc/37/88/84/136378884.db2.gz TUYDIFIZJFIBBU-LLVKDONJSA-N 0 0 288.347 2.725 10 30 CFEERN C[C@]1(Cc2ccc(Br)cc2)O[C@@H]1C#N ZINC000306293612 539471658 /nfs/dbraw/zinc/47/16/58/539471658.db2.gz VALQLNLOIPYJBD-GHMZBOCLSA-N 0 0 252.111 2.673 10 30 CFEERN C[C@@]1(c2ccc(Br)cc2F)O[C@@H]1C#N ZINC000307073548 539476558 /nfs/dbraw/zinc/47/65/58/539476558.db2.gz ABSLXOHIULFZHP-ZJUUUORDSA-N 0 0 256.074 2.726 10 30 CFEERN N#C[C@@H]1O[C@@]12CCc1cc(Br)ccc1C2 ZINC000307678088 539478215 /nfs/dbraw/zinc/47/82/15/539478215.db2.gz KADYSIZRATXSBG-NWDGAFQWSA-N 0 0 264.122 2.599 10 30 CFEERN NC(=S)NN=Cc1ccc(-c2ccccc2)cc1 ZINC000008627263 346224625 /nfs/dbraw/zinc/22/46/25/346224625.db2.gz ZGTAYOMAARHFLW-UHFFFAOYSA-N 0 0 255.346 2.521 10 30 CFEERN COc1cccc([S@@](=O)c2cccc(F)c2C#N)c1 ZINC000034460560 346317577 /nfs/dbraw/zinc/31/75/77/346317577.db2.gz DMFWGTJSSWPMBM-IBGZPJMESA-N 0 0 275.304 2.873 10 30 CFEERN N#Cc1cc(Br)c(Br)cc1C#N ZINC000034530213 346318441 /nfs/dbraw/zinc/31/84/41/346318441.db2.gz GWFFZICBNFSEIX-UHFFFAOYSA-N 0 0 285.926 2.955 10 30 CFEERN CN(c1ccccc1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000039171808 346341379 /nfs/dbraw/zinc/34/13/79/346341379.db2.gz NHNNPKGJGPAWDA-UHFFFAOYSA-N 0 0 254.249 2.629 10 30 CFEERN O=C1OCC[C@H]1N=C(c1ccccc1)c1ccccc1 ZINC000039428156 346343494 /nfs/dbraw/zinc/34/34/94/346343494.db2.gz PQLBHHRCKIGQAG-OAHLLOKOSA-N 0 0 265.312 2.840 10 30 CFEERN C[C@](N)(C#N)CSc1cccc(Br)c1 ZINC000055309254 346586268 /nfs/dbraw/zinc/58/62/68/346586268.db2.gz KDTMOPQJSDYRCA-JTQLQIEISA-N 0 0 271.183 2.782 10 30 CFEERN CCn1c2ccccc2nc1CN[C@H]1CCC[C@H]1C#N ZINC000061892697 346686020 /nfs/dbraw/zinc/68/60/20/346686020.db2.gz CWPALWTVGPUHKX-STQMWFEESA-N 0 0 268.364 2.838 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cc2c(c(Cl)c1)OCO2 ZINC000061891778 346686122 /nfs/dbraw/zinc/68/61/22/346686122.db2.gz YCZFPXNUDRAOCK-ZYHUDNBSSA-N 0 0 278.739 2.851 10 30 CFEERN CC(C)(C)Oc1cc(CNc2nccnc2C#N)ccn1 ZINC000091674357 347595702 /nfs/dbraw/zinc/59/57/02/347595702.db2.gz TUMHGUYKWQHDEL-UHFFFAOYSA-N 0 0 283.335 2.533 10 30 CFEERN CCC[C@H](CC(=O)OC)Nc1snc(Cl)c1C#N ZINC000092946535 347653616 /nfs/dbraw/zinc/65/36/16/347653616.db2.gz FZXKMGRMXBLLAK-SSDOTTSWSA-N 0 0 287.772 2.812 10 30 CFEERN C#CCCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000113879696 347769411 /nfs/dbraw/zinc/76/94/11/347769411.db2.gz PJORTHHWYIPBRK-CYBMUJFWSA-N 0 0 257.289 2.510 10 30 CFEERN CC[C@@H](C)[C@H](OS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000113987781 347770181 /nfs/dbraw/zinc/77/01/81/347770181.db2.gz OGWQRWJFHPYUII-MFKMUULPSA-N 0 0 267.350 2.622 10 30 CFEERN OC1CCC(Oc2ncc(C#Cc3ccccc3)cn2)CC1 ZINC000116748674 347788055 /nfs/dbraw/zinc/78/80/55/347788055.db2.gz ZDARAVFHIRROGX-UHFFFAOYSA-N 0 0 294.354 2.559 10 30 CFEERN COc1cc(-c2cnccc2[C@H](C)O)ccc1C#N ZINC000117052603 347790089 /nfs/dbraw/zinc/79/00/89/347790089.db2.gz KOUMNTUXDYPDAQ-JTQLQIEISA-N 0 0 254.289 2.682 10 30 CFEERN C#CC[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000127653320 347842982 /nfs/dbraw/zinc/84/29/82/347842982.db2.gz MGXAIVRGQWHDKJ-SECBINFHSA-N 0 0 266.138 2.591 10 30 CFEERN CO[C@]1(C#N)CCc2cc(Br)ccc21 ZINC000128023217 347846220 /nfs/dbraw/zinc/84/62/20/347846220.db2.gz QGHBHPBUCXCSHW-NSHDSACASA-N 0 0 252.111 2.761 10 30 CFEERN C=C(C)[C@H](NN)c1ccc(Br)cc1F ZINC000126519267 347835460 /nfs/dbraw/zinc/83/54/60/347835460.db2.gz YKXWOYRMKJSDEB-JTQLQIEISA-N 0 0 259.122 2.669 10 30 CFEERN Cc1ccc([C@H](C#N)N(C)C)c(Br)c1 ZINC000129703536 347864319 /nfs/dbraw/zinc/86/43/19/347864319.db2.gz ZSHXVWGQHMGFSP-NSHDSACASA-N 0 0 253.143 2.884 10 30 CFEERN Cc1ccc([C@H](O)[C@@H](C)C#N)c(Br)c1 ZINC000129818848 347865324 /nfs/dbraw/zinc/86/53/24/347865324.db2.gz 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/nfs/dbraw/zinc/76/86/03/382768603.db2.gz VGBQEXZJQKAVCE-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)c1c(C)c(C#N)ccc1OC(F)(F)F ZINC000575395310 382768722 /nfs/dbraw/zinc/76/87/22/382768722.db2.gz XMGXDBXIEYCHPI-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1C#N ZINC000575395641 382768808 /nfs/dbraw/zinc/76/88/08/382768808.db2.gz LXDCBZKHQJIZTD-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575395374 382768899 /nfs/dbraw/zinc/76/88/99/382768899.db2.gz ANYIBLXTIHWVQC-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN N#CCc1cc(OC(F)F)cc(C(F)(F)F)n1 ZINC000575396905 382769133 /nfs/dbraw/zinc/76/91/33/382769133.db2.gz HISJOQWCBJNFQZ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CC2CCC1CC2 ZINC000575496474 382772921 /nfs/dbraw/zinc/77/29/21/382772921.db2.gz LMASYAZPANRNRF-MGULZYLOSA-N 0 0 250.342 2.984 10 30 CFEERN C#CC[C@H](C)Nc1ccc(I)cn1 ZINC000575594923 382774411 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N#Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1OC(F)F ZINC000575667310 382782777 /nfs/dbraw/zinc/78/27/77/382782777.db2.gz MDWHBTDEXCSZMS-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1cc(CC#N)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575667616 382782845 /nfs/dbraw/zinc/78/28/45/382782845.db2.gz SGPOKCOQNFAYQC-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#CCc1c(Cl)cc(N)cc1I ZINC000575715440 382795023 /nfs/dbraw/zinc/79/50/23/382795023.db2.gz DSNQCIONMQIEBL-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOc1cc(C(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575670117 382783576 /nfs/dbraw/zinc/78/35/76/382783576.db2.gz FOIRCYZJNXRFGS-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1C(F)(F)F ZINC000575670122 382783589 /nfs/dbraw/zinc/78/35/89/382783589.db2.gz FUQULTYFJNDQEC-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1OCC ZINC000575670435 382783638 /nfs/dbraw/zinc/78/36/38/382783638.db2.gz HREZGWJGCHZNMN-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1c(C#N)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575670076 382783703 /nfs/dbraw/zinc/78/37/03/382783703.db2.gz CFRXWZCFTNHBQO-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)cc(OCC)c1C#N ZINC000575671571 382783921 /nfs/dbraw/zinc/78/39/21/382783921.db2.gz USMAOPPDECFUIZ-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1OCC ZINC000575671605 382783925 /nfs/dbraw/zinc/78/39/25/382783925.db2.gz VJHNLAUEFIQFEI-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1ccc(C#N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575671010 382784011 /nfs/dbraw/zinc/78/40/11/382784011.db2.gz OWTIFNQEHLFCGW-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575673280 382784251 /nfs/dbraw/zinc/78/42/51/382784251.db2.gz GIFXGUJYSWIWGT-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN Cc1cc(OC(F)(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575673809 382784277 /nfs/dbraw/zinc/78/42/77/382784277.db2.gz NVBHCNXKUVNVRS-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575677886 382784988 /nfs/dbraw/zinc/78/49/88/382784988.db2.gz GWVUMMDGYYMNOU-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1cc(OC(F)F)c(N)cc1OC(F)(F)F ZINC000575716966 382795227 /nfs/dbraw/zinc/79/52/27/382795227.db2.gz KBCFMHWGAZAIBA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cc(N)c1OC(F)F ZINC000575716930 382795330 /nfs/dbraw/zinc/79/53/30/382795330.db2.gz IZGZZUYNPGJDSQ-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1cc(Br)cc(O)c1OC(F)(F)F ZINC000575689911 382788541 /nfs/dbraw/zinc/78/85/41/382788541.db2.gz LVRJXJWFJIEOFY-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN COc1cc(CC#N)c(F)cc1I ZINC000575705508 382792183 /nfs/dbraw/zinc/79/21/83/382792183.db2.gz MRBSNNJXLZBUTN-UHFFFAOYSA-N 0 0 291.063 2.505 10 30 CFEERN COc1c(C)c(I)ccc1CC#N ZINC000575708998 382792976 /nfs/dbraw/zinc/79/29/76/382792976.db2.gz RCMOWOMCOYTOPH-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN N#CCc1c(OC(F)(F)F)ccc(F)c1[N+](=O)[O-] ZINC000575709555 382793030 /nfs/dbraw/zinc/79/30/30/382793030.db2.gz ABLTZULHZQHBDU-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN COC(=O)c1c(C#N)cc(Cl)cc1OC(F)F ZINC000575343031 382759703 /nfs/dbraw/zinc/75/97/03/382759703.db2.gz UHZPAFDCKOCKGO-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1ccc(OC)c(C(F)F)c1C#N ZINC000575343545 382759725 /nfs/dbraw/zinc/75/97/25/382759725.db2.gz GXJRXYMIVARYHY-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1cc(OC)c(C#N)cc1C(F)F ZINC000575343570 382759735 /nfs/dbraw/zinc/75/97/35/382759735.db2.gz KFWYJTVNLCMMSH-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC)c1C(F)F ZINC000575343512 382759749 /nfs/dbraw/zinc/75/97/49/382759749.db2.gz BTICFWVPDASVNT-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1c(Cl)cc(C#N)cc1OC(F)F ZINC000575343032 382759767 /nfs/dbraw/zinc/75/97/67/382759767.db2.gz UKCQFKAKPYTACP-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575344128 382759950 /nfs/dbraw/zinc/75/99/50/382759950.db2.gz PPPKHPOLJWBGKV-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1c(C(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575343967 382760009 /nfs/dbraw/zinc/76/00/09/382760009.db2.gz LAEOFBRAOKHSIS-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CSC(=NC#N)Nc1cccc(C(F)(F)F)n1 ZINC000225077900 382812948 /nfs/dbraw/zinc/81/29/48/382812948.db2.gz WECUMOKGRWUCAE-UHFFFAOYSA-N 0 0 260.244 2.522 10 30 CFEERN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)NO)o1 ZINC000226290432 382826155 /nfs/dbraw/zinc/82/61/55/382826155.db2.gz QTDVRCODWDUPKD-QPJJXVBHSA-N 0 0 288.259 2.682 10 30 CFEERN C[C@@H]1CCCCN1c1ccc(-n2cnnc2)cc1C#N ZINC000226279905 382826178 /nfs/dbraw/zinc/82/61/78/382826178.db2.gz IDHSRWKYFWPQRF-GFCCVEGCSA-N 0 0 267.336 2.518 10 30 CFEERN CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1nccs1 ZINC000234048905 382872829 /nfs/dbraw/zinc/87/28/29/382872829.db2.gz HGAYPDKABVQSOH-QMMMGPOBSA-N 0 0 289.320 2.881 10 30 CFEERN C#CCC(=O)Nc1ccc(C)cc1Br ZINC000235783404 382887837 /nfs/dbraw/zinc/88/78/37/382887837.db2.gz WWULPJXPHMPAKB-UHFFFAOYSA-N 0 0 252.111 2.719 10 30 CFEERN Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000235888175 382889983 /nfs/dbraw/zinc/88/99/83/382889983.db2.gz CCYVPWTURLMMSC-UHFFFAOYSA-N 0 0 274.305 2.844 10 30 CFEERN N#Cc1nc(N[C@@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000236416476 382894213 /nfs/dbraw/zinc/89/42/13/382894213.db2.gz OOOWXWMVPQODJT-NWDGAFQWSA-N 0 0 280.287 2.829 10 30 CFEERN C[C@H]1C[C@H](CCN2CCO[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000246139631 383063795 /nfs/dbraw/zinc/06/37/95/383063795.db2.gz ASKVDBGXKBGGOC-YJNKXOJESA-N 0 0 250.386 2.673 10 30 CFEERN C=CCS(=O)(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000280493172 194859760 /nfs/dbraw/zinc/85/97/60/194859760.db2.gz BHJWNCZPNNXIDJ-UHFFFAOYSA-N 0 0 294.203 2.941 10 30 CFEERN N#Cc1ncc(C(F)(F)F)cc1OC(F)(F)F ZINC000514256593 383153986 /nfs/dbraw/zinc/15/39/86/383153986.db2.gz YBJRZXOVPFUAEJ-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1ccnc(N2CCC[C@H](c3ccccc3)C2)n1 ZINC000450539720 383451642 /nfs/dbraw/zinc/45/16/42/383451642.db2.gz LEXJHWMFAASNOB-AWEZNQCLSA-N 0 0 264.332 2.732 10 30 CFEERN COC(=O)c1ccc(N=Cc2ccc(O)cc2)cc1 ZINC000254506999 383468362 /nfs/dbraw/zinc/46/83/62/383468362.db2.gz RMGZSIQUVXIPDP-UHFFFAOYSA-N 0 0 255.273 2.929 10 30 CFEERN COc1ccc(C=Nc2ccccc2C(N)=O)cc1 ZINC000254657156 383468933 /nfs/dbraw/zinc/46/89/33/383468933.db2.gz IQPPMKDQOFSNBA-UHFFFAOYSA-N 0 0 254.289 2.545 10 30 CFEERN Cc1cc(Cl)cc(Cl)c1OC(C)(C)C(=O)NO ZINC000226290811 291905555 /nfs/dbraw/zinc/90/55/55/291905555.db2.gz RGUPZVHOYLOHGX-UHFFFAOYSA-N 0 0 278.135 2.965 10 30 CFEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047350 260016344 /nfs/dbraw/zinc/01/63/44/260016344.db2.gz WATKWAYDDWFUIH-STQMWFEESA-N 0 0 263.337 2.924 10 30 CFEERN C[C@H](C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 ZINC000044699430 256876231 /nfs/dbraw/zinc/87/62/31/256876231.db2.gz LXXANTDQIIXQBZ-GFCCVEGCSA-N 0 0 279.347 2.755 10 30 in-vitro CFEERN C=C[C@](C)(CCOC)C(=O)Nc1ccccc1OC ZINC000187742513 260055182 /nfs/dbraw/zinc/05/51/82/260055182.db2.gz CDBKWLCGODMYCX-OAHLLOKOSA-N 0 0 263.337 2.863 10 30 CFEERN C#CCOc1ccc(CCNc2cccc(C#N)n2)cc1 ZINC000301823430 393479088 /nfs/dbraw/zinc/47/90/88/393479088.db2.gz HSKPWJRMACMMAN-UHFFFAOYSA-N 0 0 277.327 2.620 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000182744911 393513732 /nfs/dbraw/zinc/51/37/32/393513732.db2.gz WHAAPKZPRSNGTC-QMTHXVAHSA-N 0 0 275.327 2.662 10 30 CFEERN N#CC#C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000217071653 413063834 /nfs/dbraw/zinc/06/38/34/413063834.db2.gz SWGMRVDCIWLYQC-HNNXBMFYSA-N 0 0 263.296 2.951 10 30 CFEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000191948056 393611337 /nfs/dbraw/zinc/61/13/37/393611337.db2.gz KFWJNNUCYPTJCJ-JKSUJKDBSA-N 0 0 274.339 2.841 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000061889026 393626815 /nfs/dbraw/zinc/62/68/15/393626815.db2.gz FLPFDJWRFTZNCP-QWRGUYRKSA-N 0 0 260.362 2.659 10 30 CFEERN C=CCOc1ccccc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000193216306 393645581 /nfs/dbraw/zinc/64/55/81/393645581.db2.gz NAJCIASKZOKUAZ-TZMCWYRMSA-N 0 0 275.348 2.549 10 30 CFEERN Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)c(C#N)c(C)n1 ZINC000084076916 393746560 /nfs/dbraw/zinc/74/65/60/393746560.db2.gz YOGPYQXGTFNJPI-DLBZAZTESA-N 0 0 279.343 2.640 10 30 CFEERN C=CCSCCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000194565473 393706326 /nfs/dbraw/zinc/70/63/26/393706326.db2.gz DWIPBTWCPCNZES-NSHDSACASA-N 0 0 268.382 2.867 10 30 CFEERN COc1ccc(CN[C@@H]2CCCC[C@H]2C#N)c(OC)c1 ZINC000109554172 393879686 /nfs/dbraw/zinc/87/96/86/393879686.db2.gz MCDRAZZUJZJLJN-SWLSCSKDSA-N 0 0 274.364 2.876 10 30 CFEERN Cc1cc(Br)nc(Br)c1C#N ZINC000098181164 393842982 /nfs/dbraw/zinc/84/29/82/393842982.db2.gz LVZKGFBNOVZQEB-UHFFFAOYSA-N 0 0 275.931 2.787 10 30 CFEERN C=CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000150805009 394252649 /nfs/dbraw/zinc/25/26/49/394252649.db2.gz SYUCHEWRXVDVAW-FZMZJTMJSA-N 0 0 261.321 2.757 10 30 CFEERN N#CCCn1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000156463141 394334134 /nfs/dbraw/zinc/33/41/34/394334134.db2.gz MDADRZWWBZRVSM-ZIAGYGMSSA-N 0 0 286.379 2.952 10 30 CFEERN C=CCCC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000034205161 543003122 /nfs/dbraw/zinc/00/31/22/543003122.db2.gz CBLPADASFDBTOJ-NSHDSACASA-N 0 0 253.342 2.921 10 30 CFEERN C=CCCC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405573673 543021046 /nfs/dbraw/zinc/02/10/46/543021046.db2.gz KWOHOSPVPLNYGX-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)CC1(NC(=O)OC(C)(C)C)CCCC1 ZINC000405558441 543020856 /nfs/dbraw/zinc/02/08/56/543020856.db2.gz CXDRFIZADAIOEB-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405685451 543023011 /nfs/dbraw/zinc/02/30/11/543023011.db2.gz VTJUUNHKSNQDDA-WDEREUQCSA-N 0 0 253.342 2.777 10 30 CFEERN C=C(C)C(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1 ZINC000405746476 543023646 /nfs/dbraw/zinc/02/36/46/543023646.db2.gz KNGPYBXFVLQSHA-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405904444 543026236 /nfs/dbraw/zinc/02/62/36/543026236.db2.gz YCLMRPHNHCDJAX-CMPLNLGQSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000406000929 543029062 /nfs/dbraw/zinc/02/90/62/543029062.db2.gz NHWZHIJOXRNGJE-NSHDSACASA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)CC(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000406115141 543030359 /nfs/dbraw/zinc/03/03/59/543030359.db2.gz OIHFJIAUYQDHQR-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN CCCCOc1ncc(Br)cc1C#N ZINC000211564629 397617923 /nfs/dbraw/zinc/61/79/23/397617923.db2.gz DHZGTYITEFDMQD-UHFFFAOYSA-N 0 0 255.115 2.895 10 30 CFEERN Cc1ccc(S(=O)(=O)/N=C\c2ccccc2)cc1 ZINC000100059371 292170258 /nfs/dbraw/zinc/17/02/58/292170258.db2.gz HVCKVBQOKOFBFH-PTNGSMBKSA-N 0 0 259.330 2.803 10 30 CFEERN CNC(=S)N/N=C\C(Br)=C/c1ccccc1 ZINC000004695152 170000330 /nfs/dbraw/zinc/00/03/30/170000330.db2.gz HFOZUYLTKSHTPO-OGBNRGGWSA-N 0 0 298.209 2.502 10 30 CFEERN O=[N+]([O-])c1ccc(/N=C/c2ccc(O)c(O)c2)cc1 ZINC000004951686 170044679 /nfs/dbraw/zinc/04/46/79/170044679.db2.gz COGSFPOTSWBVBL-RIYZIHGNSA-N 0 0 258.233 2.757 10 30 CFEERN O=C(/C=C/c1ccc(O)cc1O)c1ccc(O)cc1 ZINC000005037499 170059213 /nfs/dbraw/zinc/05/92/13/170059213.db2.gz VDYSHUXENHRSOO-XBXARRHUSA-N 0 0 256.257 2.700 10 30 endogenous,in-man CFEERN CCCCOc1ccc(CN=NC(=S)NC)cc1 ZINC000005309446 170084867 /nfs/dbraw/zinc/08/48/67/170084867.db2.gz JEYNTZWOJSMVII-XNTDXEJSSA-N 0 0 265.382 2.705 10 30 CFEERN CC(C)(C)[C@@H](Cc1ccc(C#N)cc1)C(=O)n1cncn1 ZINC000005353996 170088956 /nfs/dbraw/zinc/08/89/56/170088956.db2.gz MOZRFMOTSRMRCN-AWEZNQCLSA-N 0 0 282.347 2.695 10 30 CFEERN C/C(=N\N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000005446316 170099927 /nfs/dbraw/zinc/09/99/27/170099927.db2.gz RLHJBHICWYJTAM-MHWRWJLKSA-N 0 0 286.206 2.965 10 30 CFEERN O=c1[nH]ncc(NN=Cc2ccccc2Cl)c1Cl ZINC000005594891 170117675 /nfs/dbraw/zinc/11/76/75/170117675.db2.gz MKNOBOIFHYNQCE-LHHJGKSTSA-N 0 0 283.118 2.523 10 30 CFEERN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000005720328 170132569 /nfs/dbraw/zinc/13/25/69/170132569.db2.gz PGTBQDMMTLEZMS-OQLLNIDSSA-N 0 0 287.275 2.755 10 30 CFEERN Cc1ccccc1[S@@](=O)c1cccc(N)c1C#N ZINC000005931413 170157086 /nfs/dbraw/zinc/15/70/86/170157086.db2.gz KKORPTDYKFQNQB-SFHVURJKSA-N 0 0 256.330 2.616 10 30 CFEERN CSc1nc2n(n1)[C@H](C)C1=C(CC(C)(C)CC1=O)N2 ZINC000006409388 170199148 /nfs/dbraw/zinc/19/91/48/170199148.db2.gz ARCMHLQVJZTWFL-SSDOTTSWSA-N 0 0 278.381 2.630 10 30 CFEERN C=CCNC(=O)/C=C/c1cc(Br)ccc1F ZINC000006430424 170200806 /nfs/dbraw/zinc/20/08/06/170200806.db2.gz RGIJYXIWXTYFRE-ZZXKWVIFSA-N 0 0 284.128 2.904 10 30 CFEERN COc1cc(C=NNc2ccc(F)cc2)ccc1O ZINC000006674958 170225436 /nfs/dbraw/zinc/22/54/36/170225436.db2.gz VSGPSYDEYPXHFA-CXUHLZMHSA-N 0 0 260.268 2.986 10 30 CFEERN CC(=O)C(=Nc1nccs1)NNc1ccccc1 ZINC000006820457 170246672 /nfs/dbraw/zinc/24/66/72/170246672.db2.gz NUBPNCYXIJSXCQ-UHFFFAOYSA-N 0 0 260.322 2.570 10 30 CFEERN FC(F)(F)c1ccc(NN=Cc2cccnc2)nc1 ZINC000006831916 170247852 /nfs/dbraw/zinc/24/78/52/170247852.db2.gz HAVWRJODFKXHEU-CNHKJKLMSA-N 0 0 266.226 2.941 10 30 CFEERN N#Cc1cccc(NC(=S)NC(=O)c2ccccc2F)c1 ZINC000007497704 170287007 /nfs/dbraw/zinc/28/70/07/170287007.db2.gz HXOLKAALUYZFIU-UHFFFAOYSA-N 0 0 299.330 2.824 10 30 CFEERN C=CCNC(=S)NC(=O)c1ccccc1OCCCC ZINC000007659561 170296652 /nfs/dbraw/zinc/29/66/52/170296652.db2.gz GBFMXPBIRCOHGP-UHFFFAOYSA-N 0 0 292.404 2.656 10 30 CFEERN C=CCNC(=O)c1csc(-c2ccsc2)n1 ZINC000007949455 170309365 /nfs/dbraw/zinc/30/93/65/170309365.db2.gz SIRBVULWUIQTQH-UHFFFAOYSA-N 0 0 250.348 2.787 10 30 CFEERN C=CCNC(=S)NC(=O)Cc1cccc2ccccc21 ZINC000008554554 170340296 /nfs/dbraw/zinc/34/02/96/170340296.db2.gz AJWGTOUFEMEKFE-UHFFFAOYSA-N 0 0 284.384 2.559 10 30 CFEERN C[C@@H](O)COc1ccc(/C(=N/O)c2ccccc2)cc1 ZINC000013147365 170536651 /nfs/dbraw/zinc/53/66/51/170536651.db2.gz GWJCMENABTYWFJ-QIVXWBPLSA-N 0 0 271.316 2.673 10 30 CFEERN COc1ccc(OCc2ccc(C#N)cc2F)c(N)c1 ZINC000019405243 170786610 /nfs/dbraw/zinc/78/66/10/170786610.db2.gz SQNYZVNLXIHQEY-UHFFFAOYSA-N 0 0 272.279 2.867 10 30 CFEERN Cc1cc(C)cc(Oc2ncccc2/C(N)=N/O)c1 ZINC000019422251 170792827 /nfs/dbraw/zinc/79/28/27/170792827.db2.gz DOTLMRJRTPSEDZ-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN N/C(=N\O)c1ccnc(O[C@@H]2CCCc3ccccc32)c1 ZINC000019488968 170814037 /nfs/dbraw/zinc/81/40/37/170814037.db2.gz PVXQIGLAUYJWPM-CQSZACIVSA-N 0 0 283.331 2.633 10 30 CFEERN CCN(CC)c1nc2cc(OC)ccc2cc1C#N ZINC000019801417 170870594 /nfs/dbraw/zinc/87/05/94/170870594.db2.gz MZVWXJBRVLHBPD-UHFFFAOYSA-N 0 0 255.321 2.961 10 30 CFEERN CCN(CC/C(N)=N/O)c1cccc2ccccc21 ZINC000019808307 170877310 /nfs/dbraw/zinc/87/73/10/170877310.db2.gz ROAKCLXYFOPDTM-UHFFFAOYSA-N 0 0 257.337 2.803 10 30 CFEERN N/C(=N\O)c1ccc(Sc2ccccc2Cl)nc1 ZINC000019847788 170897067 /nfs/dbraw/zinc/89/70/67/170897067.db2.gz RSJWGXOZLFDOPX-UHFFFAOYSA-N 0 0 279.752 2.981 10 30 CFEERN Cc1ccc(Sc2ncccc2/C(N)=N/O)cc1C ZINC000019847854 170897208 /nfs/dbraw/zinc/89/72/08/170897208.db2.gz XMVWYNNZESTZOH-UHFFFAOYSA-N 0 0 273.361 2.944 10 30 CFEERN Cc1ccc(C(=O)Nc2ccccc2C#N)cc1N ZINC000020195074 171060542 /nfs/dbraw/zinc/06/05/42/171060542.db2.gz VFIJDFQTZVIVBX-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN C[C@H](Nc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000020304183 171141030 /nfs/dbraw/zinc/14/10/30/171141030.db2.gz JGQZGYDVRRFKKQ-LBPRGKRZSA-N 0 0 265.316 2.997 10 30 CFEERN C[C@@H](Nc1cccc(C#N)c1)C(=O)NC1CCCCC1 ZINC000020309123 171143446 /nfs/dbraw/zinc/14/34/46/171143446.db2.gz VNLQRFGVUMSJHH-GFCCVEGCSA-N 0 0 271.364 2.808 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(C)cc1Br ZINC000020360028 171159056 /nfs/dbraw/zinc/15/90/56/171159056.db2.gz FUYFIHPGDSKHFQ-SNVBAGLBSA-N 0 0 297.196 2.860 10 30 CFEERN CCCN[C@H](C#N)c1cc(Br)c(O)c(OC)c1 ZINC000020380103 171171988 /nfs/dbraw/zinc/17/19/88/171171988.db2.gz OVCKYJQBYUHGBD-SNVBAGLBSA-N 0 0 299.168 2.728 10 30 CFEERN CC(C)CCCOCC(=O)Nc1ccccc1C#N ZINC000020514711 171231950 /nfs/dbraw/zinc/23/19/50/171231950.db2.gz HTNKBFDLWBOCSF-UHFFFAOYSA-N 0 0 260.337 2.950 10 30 CFEERN COc1ccc(N)cc1NC(=O)Nc1ccc(C#N)cc1 ZINC000022178382 171371383 /nfs/dbraw/zinc/37/13/83/171371383.db2.gz PZODZYAWLZNOCJ-UHFFFAOYSA-N 0 0 282.303 2.793 10 30 CFEERN Cc1cccc(C(=O)Nc2ccc(C#N)cc2)c1N ZINC000022220118 171377399 /nfs/dbraw/zinc/37/73/99/171377399.db2.gz WQMXORNYSLTTFT-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN CCCc1nnc(NC(=O)CN2CCCCCC2)s1 ZINC000028048267 171545952 /nfs/dbraw/zinc/54/59/52/171545952.db2.gz QAHOGNMKSAIZMF-UHFFFAOYSA-N 0 0 282.413 2.955 10 30 CFEERN CN(C)c1oc(COc2cccc(Cl)c2)nc1C#N ZINC000032675305 171744114 /nfs/dbraw/zinc/74/41/14/171744114.db2.gz OXRSCJAJSJYJPV-UHFFFAOYSA-N 0 0 277.711 2.845 10 30 CFEERN NC(=S)N=NC=C(Br)Cc1ccccc1 ZINC000033373935 171787171 /nfs/dbraw/zinc/78/71/71/171787171.db2.gz YFFZKDMAFFSNTO-VGNJZPHMSA-N 0 0 284.182 2.653 10 30 CFEERN Cc1csc(N=NCc2cccc(Cl)c2)n1 ZINC000033377199 171787659 /nfs/dbraw/zinc/78/76/59/171787659.db2.gz DFVLNPLLRVKHBT-MLPAPPSSSA-N 0 0 251.742 2.973 10 30 CFEERN Cc1ccc(S(=O)(=O)OCCOC(C)(C)C)cc1 ZINC000034329949 171837288 /nfs/dbraw/zinc/83/72/88/171837288.db2.gz GPXQMVPLPIALKX-UHFFFAOYSA-N 0 0 272.366 2.515 10 30 CFEERN N#Cc1ccc(F)c(COCCc2ccccn2)c1 ZINC000034958486 171903772 /nfs/dbraw/zinc/90/37/72/171903772.db2.gz CGVLFYCPCRWRIM-UHFFFAOYSA-N 0 0 256.280 2.852 10 30 CFEERN CCOc1ccc(C=Nn2c(C)n[nH]c2=S)cc1OC ZINC000035418132 172190166 /nfs/dbraw/zinc/19/01/66/172190166.db2.gz PAYOZUGBJXSLPI-ZSOIEALJSA-N 0 0 292.364 2.539 10 30 CFEERN CCCCC1N=NC(=S)N1N=Cc1ccccc1F ZINC000035418348 172190221 /nfs/dbraw/zinc/19/02/21/172190221.db2.gz MISYAJORWXZSRH-DHDCSXOGSA-N 0 0 278.356 2.931 10 30 CFEERN Cc1ccc(NC(=O)c2cccc(C#N)c2)c(N)c1 ZINC000037064584 172928216 /nfs/dbraw/zinc/92/82/16/172928216.db2.gz PTJNODYVZIBCGM-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN N#Cc1ccc(F)c(CSc2ccc(N)nc2)c1 ZINC000037192650 173022366 /nfs/dbraw/zinc/02/23/66/173022366.db2.gz IMNVIDOCTIUYTH-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN N#Cc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037248172 173060689 /nfs/dbraw/zinc/06/06/89/173060689.db2.gz CUSXVYHASPILEL-UHFFFAOYSA-N 0 0 285.234 2.858 10 30 CFEERN COCCc1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037547846 173264657 /nfs/dbraw/zinc/26/46/57/173264657.db2.gz SMGQMHRCIJBCNO-UHFFFAOYSA-N 0 0 251.329 2.858 10 30 CFEERN O=C(Nc1ccc(C#CCO)cc1)c1ccc(Cl)o1 ZINC000037548484 173265452 /nfs/dbraw/zinc/26/54/52/173265452.db2.gz HXYTVORDELRFCX-UHFFFAOYSA-N 0 0 275.691 2.529 10 30 CFEERN O=C(Nc1ccc(C#CCO)cc1F)c1ccccc1F ZINC000037548854 173265809 /nfs/dbraw/zinc/26/58/09/173265809.db2.gz DGHNRIQKNIWLLS-UHFFFAOYSA-N 0 0 287.265 2.561 10 30 CFEERN N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000038027535 174013837 /nfs/dbraw/zinc/01/38/37/174013837.db2.gz UYVBBSVWRXRDGZ-ZDUSSCGKSA-N 0 0 276.311 2.527 10 30 CFEERN Cc1nccc(CNc2c(C#N)cnc3ccccc32)n1 ZINC000038038185 174038619 /nfs/dbraw/zinc/03/86/19/174038619.db2.gz XNJHTIUKNCREHP-UHFFFAOYSA-N 0 0 275.315 2.817 10 30 CFEERN CCN[C@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038052193 174063342 /nfs/dbraw/zinc/06/33/42/174063342.db2.gz SYJVAOHAOIGTPI-SNVBAGLBSA-N 0 0 269.142 2.632 10 30 CFEERN C[C@@H](C(=O)Nc1ccc(C#N)cc1)n1cc(Cl)cn1 ZINC000038053471 174065038 /nfs/dbraw/zinc/06/50/38/174065038.db2.gz FLYMHGQHUJLFHS-VIFPVBQESA-N 0 0 274.711 2.608 10 30 CFEERN CC[C@H](C)N[C@@H](C#N)c1ccc2c(c1)OCCCO2 ZINC000038064531 174075525 /nfs/dbraw/zinc/07/55/25/174075525.db2.gz HIPHHFLYHBUVKC-AAEUAGOBSA-N 0 0 260.337 2.801 10 30 CFEERN CC[C@@H](C)N[C@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000038064328 174075555 /nfs/dbraw/zinc/07/55/55/174075555.db2.gz KCVBCPSXNUUJRT-IUODEOHRSA-N 0 0 254.337 2.825 10 30 CFEERN Cc1cc(C)c(C#N)c(-n2cc(Br)cn2)n1 ZINC000038074945 174084870 /nfs/dbraw/zinc/08/48/70/174084870.db2.gz AGIYQTOMCJPFRK-UHFFFAOYSA-N 0 0 277.125 2.518 10 30 CFEERN COC(=O)c1cc(CC(C)C)nc(Cl)c1C#N ZINC000040175386 174200856 /nfs/dbraw/zinc/20/08/56/174200856.db2.gz RHUMNASXVYZMQT-UHFFFAOYSA-N 0 0 252.701 2.592 10 30 CFEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCC ZINC000040194162 174202942 /nfs/dbraw/zinc/20/29/42/174202942.db2.gz ZNFRYXAPTHWTMH-UHFFFAOYSA-N 0 0 257.337 2.639 10 30 CFEERN C#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2)c1 ZINC000040458785 174268981 /nfs/dbraw/zinc/26/89/81/174268981.db2.gz OWPUSKAIPRKWKF-INIZCTEOSA-N 0 0 262.312 2.643 10 30 CFEERN COc1ccc(Nc2nc(C)cc(C)c2C#N)cn1 ZINC000040508855 174303582 /nfs/dbraw/zinc/30/35/82/174303582.db2.gz AURGINOPOLPNBA-UHFFFAOYSA-N 0 0 254.293 2.717 10 30 CFEERN N#Cc1ccccc1-n1ccnc1-c1cccc(N)c1 ZINC000040516863 174307535 /nfs/dbraw/zinc/30/75/35/174307535.db2.gz KJZWZLJXBVZGCE-UHFFFAOYSA-N 0 0 260.300 2.993 10 30 CFEERN CNC(SCc1ccc(C)cc1)=C(C(C)=O)C(C)=O ZINC000040570344 174338533 /nfs/dbraw/zinc/33/85/33/174338533.db2.gz AVCVPLWTLMQPNX-UHFFFAOYSA-N 0 0 277.389 2.837 10 30 CFEERN C=CCNc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000040598664 174349834 /nfs/dbraw/zinc/34/98/34/174349834.db2.gz YCHFYCBDHMGKKK-UHFFFAOYSA-N 0 0 289.270 2.865 10 30 CFEERN C=CCNc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040708997 174380578 /nfs/dbraw/zinc/38/05/78/174380578.db2.gz ZVALLHGCQBQIGI-UHFFFAOYSA-N 0 0 259.288 2.539 10 30 CFEERN C=CCNc1ncnc(Nc2ccc(C)cc2)c1N ZINC000040708989 174380892 /nfs/dbraw/zinc/38/08/92/174380892.db2.gz JBHXGLVZLMQAJV-UHFFFAOYSA-N 0 0 255.325 2.709 10 30 CFEERN Cc1ccc(Oc2cc(C#N)ccn2)c([N+](=O)[O-])c1 ZINC000041078644 174472442 /nfs/dbraw/zinc/47/24/42/174472442.db2.gz AYRRBDIVOUSLKQ-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN Cc1ccccc1C(=O)N(C)Cc1csc(C#CCO)c1 ZINC000042363810 174697131 /nfs/dbraw/zinc/69/71/31/174697131.db2.gz NACUAZRDFDEJNX-UHFFFAOYSA-N 0 0 299.395 2.673 10 30 CFEERN C[C@H](CN(C)Cc1ccc(Cl)cc1Cl)/C(N)=N/O ZINC000042457935 174749809 /nfs/dbraw/zinc/74/98/09/174749809.db2.gz KQLOAPXDTMXSQQ-MRVPVSSYSA-N 0 0 290.194 2.808 10 30 CFEERN CC(C)CN(C(=O)c1ccccc1C#CCO)C(C)C ZINC000042597871 174815400 /nfs/dbraw/zinc/81/54/00/174815400.db2.gz GNPZEALYZOGJEA-UHFFFAOYSA-N 0 0 273.376 2.537 10 30 CFEERN Cc1ccc(C#N)c(Oc2ccc(N)cc2C#N)n1 ZINC000043395845 175035610 /nfs/dbraw/zinc/03/56/10/175035610.db2.gz LZHGGRDRMBKKCL-UHFFFAOYSA-N 0 0 250.261 2.508 10 30 CFEERN CCN(Cc1ccccc1N)c1nc(C)ccc1C#N ZINC000043396009 175035786 /nfs/dbraw/zinc/03/57/86/175035786.db2.gz YWZBDTZXCLDXKZ-UHFFFAOYSA-N 0 0 266.348 2.870 10 30 CFEERN CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)[O-] ZINC000043431949 175043690 /nfs/dbraw/zinc/04/36/90/175043690.db2.gz PJZAAPNIAFNLDV-FZMZJTMJSA-N 0 0 260.337 2.708 10 30 CFEERN CC(C)(C)CC(C)(C)NC(=O)c1ccccc1C#CCO ZINC000043438570 175045875 /nfs/dbraw/zinc/04/58/75/175045875.db2.gz UQDYGCWLFIBNQR-UHFFFAOYSA-N 0 0 287.403 2.975 10 30 CFEERN Cc1nnc(Oc2ccc([N+](=O)[O-])c(F)c2)c(C#N)c1C ZINC000043472844 175053717 /nfs/dbraw/zinc/05/37/17/175053717.db2.gz IEWWCYNBFCYPDZ-UHFFFAOYSA-N 0 0 288.238 2.805 10 30 CFEERN N#C[C@@H](NCC(F)(F)F)c1ccc(O)c(Cl)c1 ZINC000043489263 175057003 /nfs/dbraw/zinc/05/70/03/175057003.db2.gz YHSBPICCIFBAAM-MRVPVSSYSA-N 0 0 264.634 2.762 10 30 CFEERN CC[C@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@@H]2O ZINC000043543107 175064372 /nfs/dbraw/zinc/06/43/72/175064372.db2.gz LGKJPOOXAFQBQD-MFKMUULPSA-N 0 0 261.321 2.962 10 30 CFEERN CCCCC[C@H](C)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000043582293 175069916 /nfs/dbraw/zinc/06/99/16/175069916.db2.gz ALYPCOHHWFOBNT-ZDUSSCGKSA-N 0 0 291.366 2.868 10 30 CFEERN CCCN(C(=O)c1ccc(C#CCCO)c(F)c1)C1CC1 ZINC000043582153 175070030 /nfs/dbraw/zinc/07/00/30/175070030.db2.gz ZPAMSEPWDOLIJG-UHFFFAOYSA-N 0 0 289.350 2.574 10 30 CFEERN CC[C@@H]1CCCN1C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582196 175070050 /nfs/dbraw/zinc/07/00/50/175070050.db2.gz KHYIXPZTJBYRHX-OAHLLOKOSA-N 0 0 289.350 2.574 10 30 CFEERN COc1cc(C)ccc1OCc1ccc(C#CCO)s1 ZINC000043682781 175091273 /nfs/dbraw/zinc/09/12/73/175091273.db2.gz SCCGATWRPYPUSC-UHFFFAOYSA-N 0 0 288.368 2.988 10 30 CFEERN N#Cc1cccc(OCc2sccc2C#CCO)c1 ZINC000043682621 175091320 /nfs/dbraw/zinc/09/13/20/175091320.db2.gz DUGKPEVWDYAFBG-UHFFFAOYSA-N 0 0 269.325 2.543 10 30 CFEERN OCCC#Cc1ccsc1COC1CCCC1 ZINC000043682417 175091350 /nfs/dbraw/zinc/09/13/50/175091350.db2.gz CZKSQCCMLJSQJL-UHFFFAOYSA-N 0 0 250.363 2.941 10 30 CFEERN Cc1cc(C#CCCO)ccc1NC(=O)OC(C)C ZINC000044240958 175156124 /nfs/dbraw/zinc/15/61/24/175156124.db2.gz FNLFPIQQEKNKDD-UHFFFAOYSA-N 0 0 261.321 2.686 10 30 CFEERN COC(=O)[C@H](CC(C)C)Nc1ccc(C#N)cc1F ZINC000044421143 175173704 /nfs/dbraw/zinc/17/37/04/175173704.db2.gz RLEPJEUAMAFABX-ZDUSSCGKSA-N 0 0 264.300 2.697 10 30 CFEERN C[C@H](CCc1ccccc1)Nc1ncc(N)cc1C#N ZINC000044482550 175180133 /nfs/dbraw/zinc/18/01/33/175180133.db2.gz LZWKYCYGEJMZNO-GFCCVEGCSA-N 0 0 266.348 2.969 10 30 CFEERN N#CCCc1nc2cc(Br)ccc2[nH]1 ZINC000044550801 175202323 /nfs/dbraw/zinc/20/23/23/175202323.db2.gz HBRFALUCHBMZJP-UHFFFAOYSA-N 0 0 250.099 2.782 10 30 CFEERN N#Cc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C(=O)[O-])cc1 ZINC000044592369 175213735 /nfs/dbraw/zinc/21/37/35/175213735.db2.gz OUQLEUVXTFHYCA-OAHLLOKOSA-N 0 0 298.367 2.804 10 30 CFEERN N#Cc1ccc(-c2nc(-c3ccccc3N)no2)cc1 ZINC000044732232 175240913 /nfs/dbraw/zinc/24/09/13/175240913.db2.gz YGHLGVPDXBMRJN-UHFFFAOYSA-N 0 0 262.272 2.857 10 30 CFEERN CN(CC(C)(C)C)C(=O)c1ccc(C#CCCO)s1 ZINC000045091804 175305591 /nfs/dbraw/zinc/30/55/91/175305591.db2.gz VJNRZXMWLARZAL-UHFFFAOYSA-N 0 0 279.405 2.600 10 30 CFEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)C(C)C ZINC000046541834 175397699 /nfs/dbraw/zinc/39/76/99/175397699.db2.gz PRYFPOLWAOTQED-LBPRGKRZSA-N 0 0 290.411 2.507 10 30 CFEERN C[C@H](NC(=O)Cc1ccsc1)c1cccc(C#CCO)c1 ZINC000049588873 175490436 /nfs/dbraw/zinc/49/04/36/175490436.db2.gz MWYJGERELXNUFM-ZDUSSCGKSA-N 0 0 299.395 2.512 10 30 CFEERN CCCCC(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000049589643 175490481 /nfs/dbraw/zinc/49/04/81/175490481.db2.gz HPXSRARUDQCHPL-AWEZNQCLSA-N 0 0 273.376 2.788 10 30 CFEERN CCCCCOCc1ccc(C#CCO)cc1F ZINC000049621910 175495358 /nfs/dbraw/zinc/49/53/58/175495358.db2.gz GLBRZBKDXYVXPG-UHFFFAOYSA-N 0 0 250.313 2.876 10 30 CFEERN O=[N+]([O-])c1ccc(OCc2ccc(C#CCO)cc2)cc1 ZINC000049622070 175495553 /nfs/dbraw/zinc/49/55/53/175495553.db2.gz DONHHVRSLGUNCG-UHFFFAOYSA-N 0 0 283.283 2.518 10 30 CFEERN C=CCN[C@@H](C(=O)OC)c1cc(Br)cs1 ZINC000051961578 175528926 /nfs/dbraw/zinc/52/89/26/175528926.db2.gz ARBIUZRURQZNKT-SECBINFHSA-N 0 0 290.182 2.500 10 30 CFEERN C=CCN[C@H](C(=O)OCC)c1ccc(Cl)c(F)c1 ZINC000051962490 175529261 /nfs/dbraw/zinc/52/92/61/175529261.db2.gz XLHONVPJGHSUBC-LBPRGKRZSA-N 0 0 271.719 2.859 10 30 CFEERN CC(C)(C)C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691555 175653552 /nfs/dbraw/zinc/65/35/52/175653552.db2.gz XUCQDVBILFBTHW-UHFFFAOYSA-N 0 0 265.740 2.668 10 30 CFEERN N#Cc1cc(F)ccc1CSc1ncccc1N ZINC000071263360 176096697 /nfs/dbraw/zinc/09/66/97/176096697.db2.gz ZTBWGIVXJOLXAD-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN COc1ccc2c(c1)C(C#N)N(c1ccccc1O)C2=O ZINC000071678516 176243375 /nfs/dbraw/zinc/24/33/75/176243375.db2.gz OZUWXUZAMNSVNJ-AWEZNQCLSA-N 0 0 280.283 2.626 10 30 CFEERN CC[C@H](C)N1C(=O)c2ccc(N(C)C)cc2[C@H]1C#N ZINC000071679087 176243825 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/nfs/dbraw/zinc/99/39/58/525993958.db2.gz MNRUMNWGKZNEPC-UHFFFAOYSA-N 0 0 267.317 2.684 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1Cc2ccccc2N1 ZINC000050430430 526002859 /nfs/dbraw/zinc/00/28/59/526002859.db2.gz JHENVGNROOCJPB-INIZCTEOSA-N 0 0 277.327 2.842 10 30 CFEERN Cc1ccc(C#N)cc1N[C@H](C)C(=O)N1CCCCC1 ZINC000050430358 526008875 /nfs/dbraw/zinc/00/88/75/526008875.db2.gz AHEWSTRUEOYDNB-CYBMUJFWSA-N 0 0 271.364 2.680 10 30 CFEERN Cc1ccc(C#N)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455960 526009171 /nfs/dbraw/zinc/00/91/71/526009171.db2.gz LEILVWTYZLIIKR-UHFFFAOYSA-N 0 0 289.682 2.962 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)c1cnc(N)c(Cl)c1 ZINC000050703712 526524735 /nfs/dbraw/zinc/52/47/35/526524735.db2.gz VGVHTNDFYOSZNX-UHFFFAOYSA-N 0 0 290.685 2.580 10 30 CFEERN Cc1nnc(Sc2cc(Cl)ccc2C#N)[nH]1 ZINC000062790314 526533485 /nfs/dbraw/zinc/53/34/85/526533485.db2.gz OSINSTZRNGZWEI-UHFFFAOYSA-N 0 0 250.714 2.789 10 30 CFEERN N#Cc1cc(N(Cc2ccccc2N)C2CC2)ccn1 ZINC000061812626 526563954 /nfs/dbraw/zinc/56/39/54/526563954.db2.gz PZAGPGIUUAWAJM-UHFFFAOYSA-N 0 0 264.332 2.704 10 30 CFEERN N#Cc1cc(NC(=O)N[C@@H]2COc3ccccc32)ccc1F ZINC000171086495 526568598 /nfs/dbraw/zinc/56/85/98/526568598.db2.gz CCGDNUFCHDKVKH-CQSZACIVSA-N 0 0 297.289 2.953 10 30 CFEERN N#Cc1cc(NC(=O)c2nc(N)ccc2Cl)ccc1F ZINC000051638900 526569682 /nfs/dbraw/zinc/56/96/82/526569682.db2.gz DWVXVWJXBLIOCK-UHFFFAOYSA-N 0 0 290.685 2.580 10 30 CFEERN N#Cc1cc2c(nc1-n1ncc3ccccc31)CCC2 ZINC000050525747 526578403 /nfs/dbraw/zinc/57/84/03/526578403.db2.gz GHZRWIKQUFDFRP-UHFFFAOYSA-N 0 0 260.300 2.781 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@@H]2C[C@@H]2CCC)nc1 ZINC000301466977 526656307 /nfs/dbraw/zinc/65/63/07/526656307.db2.gz XTZQONXMACTNKU-WCQYABFASA-N 0 0 259.353 2.598 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000185766723 526692660 /nfs/dbraw/zinc/69/26/60/526692660.db2.gz QBHJVANSEMIXSK-VXGBXAGGSA-N 0 0 269.385 2.777 10 30 CFEERN N#Cc1cccc(NC(=O)c2ccc3ocnc3c2)c1 ZINC000049677602 526721725 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/nfs/dbraw/zinc/74/11/46/617741146.db2.gz OYGNUUCMWWUESD-MJVIPROJSA-N 0 0 277.270 2.914 10 30 CFEERN C=C(C)CN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134252 617772543 /nfs/dbraw/zinc/77/25/43/617772543.db2.gz NDNURMNJIVWKBB-UHFFFAOYSA-N 0 0 277.368 2.858 10 30 CFEERN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176080141 617773844 /nfs/dbraw/zinc/77/38/44/617773844.db2.gz FIKXTFQBFVPVOO-JHJVBQTASA-N 0 0 279.343 2.796 10 30 CFEERN C#CCOc1ccc(Br)cc1CS ZINC000757163479 617859815 /nfs/dbraw/zinc/85/98/15/617859815.db2.gz QBMJXIXLVZUGFH-UHFFFAOYSA-N 0 0 257.152 2.891 10 30 CFEERN Oc1ccc(/C=N\[C@@H]2CCOc3ccccc32)c(O)c1O ZINC000255107055 617961511 /nfs/dbraw/zinc/96/15/11/617961511.db2.gz RZEQZSXSBZVHFN-AXIYWZQUSA-N 0 0 285.299 2.746 10 30 CFEERN COc1ccc(O)c(/C=N\[C@H]2COc3ccccc32)c1 ZINC000255117464 617967144 /nfs/dbraw/zinc/96/71/44/617967144.db2.gz BBVMGLZGBCKPNP-DUPVFGOHSA-N 0 0 269.300 2.953 10 30 CFEERN C=C(Br)CN(C)c1ccccc1C(=O)OC ZINC000050050833 618064240 /nfs/dbraw/zinc/06/42/40/618064240.db2.gz PGWBSADIHIYYPG-UHFFFAOYSA-N 0 0 284.153 2.818 10 30 CFEERN N#Cc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000158722334 618085443 /nfs/dbraw/zinc/08/54/43/618085443.db2.gz BOVRYQSAXURLQT-UHFFFAOYSA-N 0 0 256.280 2.693 10 30 CFEERN C[C@@H](O)[C@H](C)Nc1ccc(C#N)cc1Br ZINC000235227523 618214454 /nfs/dbraw/zinc/21/44/54/618214454.db2.gz XUEPSARTZNSGIQ-JGVFFNPUSA-N 0 0 269.142 2.502 10 30 CFEERN Cc1ccc(N2C[C@H](C#N)S(=O)(=O)c3ccccc32)cc1 ZINC000067172823 618360723 /nfs/dbraw/zinc/36/07/23/618360723.db2.gz XFCDRQNGJXIFQB-AWEZNQCLSA-N 0 0 298.367 2.813 10 30 CFEERN Cc1cc(Br)c(NCC[C@@H](C)O)c(C#N)c1 ZINC000892540657 618623158 /nfs/dbraw/zinc/62/31/58/618623158.db2.gz OQZBPOZWYXIPTA-SECBINFHSA-N 0 0 283.169 2.812 10 30 CFEERN C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000062793528 618703386 /nfs/dbraw/zinc/70/33/86/618703386.db2.gz DZEJVVRNOFSWRI-AOOOYVTPSA-N 0 0 250.729 2.825 10 30 CFEERN CC[C@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000308198387 618732444 /nfs/dbraw/zinc/73/24/44/618732444.db2.gz OGITWORJORFXLR-ZIAGYGMSSA-N 0 0 258.321 2.620 10 30 CFEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000178290933 618735471 /nfs/dbraw/zinc/73/54/71/618735471.db2.gz CEMHTCVYRNTABD-KWQFWETISA-N 0 0 295.722 2.693 10 30 CFEERN N#CC1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000146834069 618766558 /nfs/dbraw/zinc/76/65/58/618766558.db2.gz KCOFKDHSMISNNK-SJORKVTESA-N 0 0 298.386 2.916 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149526733 622195657 /nfs/dbraw/zinc/19/56/57/622195657.db2.gz VSFHVYSEJOHIEV-LDYMZIIASA-N 0 0 293.710 2.670 10 30 CFEERN C=CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000058800890 623064972 /nfs/dbraw/zinc/06/49/72/623064972.db2.gz RUKARDHXORRUDP-TZMCWYRMSA-N 0 0 275.348 2.560 10 30 CFEERN C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000230055731 623242963 /nfs/dbraw/zinc/24/29/63/623242963.db2.gz PEDGUUGVZYJSER-BXUZGUMPSA-N 0 0 258.321 2.964 10 30 CFEERN C=CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000069199226 625064650 /nfs/dbraw/zinc/06/46/50/625064650.db2.gz RUKARDHXORRUDP-OCCSQVGLSA-N 0 0 275.348 2.560 10 30 CFEERN C[C@H](OC(=O)c1ccccc1OCC#N)C1CCOCC1 ZINC000156145607 650045391 /nfs/dbraw/zinc/04/53/91/650045391.db2.gz SRGKVKNNXYHUCA-LBPRGKRZSA-N 0 0 289.331 2.561 10 30 CFEERN C=C(Cl)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106387270 632721284 /nfs/dbraw/zinc/72/12/84/632721284.db2.gz TZRAHXICIKHENZ-UHFFFAOYSA-N 0 0 253.777 2.654 10 30 CFEERN C=CCOc1ccc(OC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000158025236 650220674 /nfs/dbraw/zinc/22/06/74/650220674.db2.gz VBRSAIKZVNOUFH-RISCZKNCSA-N 0 0 262.305 2.724 10 30 CFEERN CCCCCCCC[S@](=O)Cc1nnnn1C(C)C ZINC000190819800 650461818 /nfs/dbraw/zinc/46/18/18/650461818.db2.gz JIOAOVNJNUKUEX-IBGZPJMESA-N 0 0 286.445 2.863 10 30 CFEERN CCCCCCCC(=O)N1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000124354466 641980943 /nfs/dbraw/zinc/98/09/43/641980943.db2.gz BMMFMUCJOQOMGX-OLZOCXBDSA-N 0 0 269.385 2.614 10 30 CFEERN COc1ccc(C[C@@H](C)OC(=O)c2cc(C#N)cn2C)cc1 ZINC000083766630 650766907 /nfs/dbraw/zinc/76/69/07/650766907.db2.gz KSELQLIOEYDDCN-GFCCVEGCSA-N 0 0 298.342 2.693 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)OC[C@H](C#N)Cc2cccs2)O1 ZINC000089301888 650834330 /nfs/dbraw/zinc/83/43/30/650834330.db2.gz IZCDACGAXDUVSW-MDZLAQPJSA-N 0 0 279.361 2.541 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000126746659 643605188 /nfs/dbraw/zinc/60/51/88/643605188.db2.gz SIZARGOWVUTAFY-CPCISQLKSA-N 0 0 298.173 2.998 10 30 CFEERN Cc1cnc([C@H](C)NCc2ccc(OCC#N)cc2)o1 ZINC000220934610 647166983 /nfs/dbraw/zinc/16/69/83/647166983.db2.gz RNOCJGDHDWMWJS-LBPRGKRZSA-N 0 0 271.320 2.736 10 30 CFEERN COCc1nc(N2CCC[C@H](C)C2)sc1CC#N ZINC000082237859 177926785 /nfs/dbraw/zinc/92/67/85/177926785.db2.gz ZONYHCBTMPADSO-JTQLQIEISA-N 0 0 265.382 2.592 10 30 CFEERN CN(C)/C=C\C(=O)c1ccc(Br)s1 ZINC000100255666 230391821 /nfs/dbraw/zinc/39/18/21/230391821.db2.gz BBLJXHPQUXMDFA-WAYWQWQTSA-N 0 0 260.156 2.769 10 30 CFEERN CC(C)(C)OC(=O)CCCc1ccc(CC#N)cn1 ZINC000095704610 185017842 /nfs/dbraw/zinc/01/78/42/185017842.db2.gz XQNAQBHLIHPMEI-UHFFFAOYSA-N 0 0 260.337 2.812 10 30 CFEERN N#Cc1cn2cc(Br)cc(Cl)c2n1 ZINC000082694317 178189098 /nfs/dbraw/zinc/18/90/98/178189098.db2.gz IVPIBMNJAPZMCK-UHFFFAOYSA-N 0 0 256.490 2.622 10 30 CFEERN CCCc1nccnc1N(C)Cc1cccc(C#N)c1 ZINC000596073861 349787573 /nfs/dbraw/zinc/78/75/73/349787573.db2.gz CMJZOJPBGKFJNT-UHFFFAOYSA-N 0 0 266.348 2.937 10 30 CFEERN CN(C)c1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1 ZINC000017783392 282280619 /nfs/dbraw/zinc/28/06/19/282280619.db2.gz BZJDCMWSDPLXDY-VBKFSLOCSA-N 0 0 288.372 2.560 10 30 CFEERN C[C@]1(c2ccc(Br)cc2F)O[C@H]1C#N ZINC000307073537 539476775 /nfs/dbraw/zinc/47/67/75/539476775.db2.gz ABSLXOHIULFZHP-VHSXEESVSA-N 0 0 256.074 2.726 10 30 CFEERN C[C@@]1(c2ccc(F)cc2Br)O[C@@H]1C#N ZINC000307317764 539477110 /nfs/dbraw/zinc/47/71/10/539477110.db2.gz PEBNRFNLAKPPQF-ZJUUUORDSA-N 0 0 256.074 2.726 10 30 CFEERN N#Cc1cccc([S@](=O)c2cccc(F)c2C#N)c1 ZINC000034418396 346316588 /nfs/dbraw/zinc/31/65/88/346316588.db2.gz NILBMKQZESSLJH-LJQANCHMSA-N 0 0 270.288 2.736 10 30 CFEERN CN(C)c1ccc(C#C[C@H](O)C#Cc2ccccc2)cc1 ZINC000039044635 346340562 /nfs/dbraw/zinc/34/05/62/346340562.db2.gz FNGZGJBKYSNWRO-LJQANCHMSA-N 0 0 275.351 2.517 10 30 CFEERN CCOC(=O)[C@H](C#N)c1ccccc1Br ZINC000044197822 346390526 /nfs/dbraw/zinc/39/05/26/346390526.db2.gz TWVZHVARRDRHKV-SECBINFHSA-N 0 0 268.110 2.619 10 30 CFEERN C=CCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000046881470 346437192 /nfs/dbraw/zinc/43/71/92/346437192.db2.gz ORCKDCSQXZOHHI-SECBINFHSA-N 0 0 283.169 2.995 10 30 CFEERN CCCCCCCC(=O)NC[C@H](C(C)C)N(O)N=O ZINC000085550485 179092915 /nfs/dbraw/zinc/09/29/15/179092915.db2.gz LOAGCJGEULMKRJ-GFCCVEGCSA-N 0 0 273.377 2.860 10 30 CFEERN CCOc1cc(/C=N/c2cccc(C(N)=O)c2)ccc1O ZINC000100223821 185709268 /nfs/dbraw/zinc/70/92/68/185709268.db2.gz HDXGNEKITAXFES-VCHYOVAHSA-N 0 0 284.315 2.640 10 30 CFEERN COc1cc([C@@H](C)NC[C@@H](C)C#N)cc(OC)c1OC ZINC000054180557 346563208 /nfs/dbraw/zinc/56/32/08/346563208.db2.gz JCDRRKLKEBHDKO-WDEREUQCSA-N 0 0 278.352 2.523 10 30 CFEERN O=C[C@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000054217956 346563216 /nfs/dbraw/zinc/56/32/16/346563216.db2.gz RCWRSJVINXPPLN-VIFPVBQESA-N 0 0 288.210 2.922 10 30 CFEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829774 346577379 /nfs/dbraw/zinc/57/73/79/346577379.db2.gz VNVVUXXRBHZRGK-JSGCOSHPSA-N 0 0 259.309 2.767 10 30 CFEERN Cc1c(Br)c2ccccc2n1CC=O ZINC000055331895 346587029 /nfs/dbraw/zinc/58/70/29/346587029.db2.gz WRLIEGBETZAVQT-UHFFFAOYSA-N 0 0 252.111 2.911 10 30 CFEERN CCCCCCCSC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000059568495 346657371 /nfs/dbraw/zinc/65/73/71/346657371.db2.gz JKLFRYQIIYRBKY-NSHDSACASA-N 0 0 291.438 2.710 10 30 CFEERN CCCCCCCCNC(=O)NCCCCCC(N)=O ZINC000059894914 346658846 /nfs/dbraw/zinc/65/88/46/346658846.db2.gz IHZVAEVSCJRLFY-UHFFFAOYSA-N 0 0 285.432 2.692 10 30 CFEERN CCn1c2ccccc2nc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892695 346686118 /nfs/dbraw/zinc/68/61/18/346686118.db2.gz CWPALWTVGPUHKX-OLZOCXBDSA-N 0 0 268.364 2.838 10 30 CFEERN CC[C@](C)(O)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246015 539560268 /nfs/dbraw/zinc/56/02/68/539560268.db2.gz OQYNEMXDFVYZNL-ZDUSSCGKSA-N 0 0 293.164 2.838 10 30 CFEERN CCC[C@H](CC(=O)OC)Nc1cccc(F)c1C#N ZINC000092946987 347653276 /nfs/dbraw/zinc/65/32/76/347653276.db2.gz BHYPBTADBIHTBT-SNVBAGLBSA-N 0 0 264.300 2.841 10 30 CFEERN C=C1O[C@H](OC(C)C)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000097974474 347711774 /nfs/dbraw/zinc/71/17/74/347711774.db2.gz FFKKRSOJBHBCEP-AVGNSLFASA-N 0 0 254.326 2.726 10 30 CFEERN C/C(=N\CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000113564093 347767991 /nfs/dbraw/zinc/76/79/91/347767991.db2.gz NGCUUWDYTRAPBS-GZTJUZNOSA-N 0 0 258.321 2.709 10 30 CFEERN N#Cc1cc(C(N)=S)ccc1OCc1ccccc1 ZINC000115877060 347782132 /nfs/dbraw/zinc/78/21/32/347782132.db2.gz CNUBATLKBLUGPK-UHFFFAOYSA-N 0 0 268.341 2.771 10 30 CFEERN Cc1ccc(S(=O)(=O)OC/C=C/C(F)(F)F)cc1 ZINC000115041360 347776537 /nfs/dbraw/zinc/77/65/37/347776537.db2.gz APVIUZIHPBCADR-FARCUNLSSA-N 0 0 280.267 2.819 10 30 CFEERN CO/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000105248449 347727803 /nfs/dbraw/zinc/72/78/03/347727803.db2.gz UZTMHPISHVUITN-FOCLMDBBSA-N 0 0 289.356 2.777 10 30 CFEERN O=C1CN=C(c2cccc(C#Cc3ccccc3)c2)NC1=O ZINC000118889170 347799463 /nfs/dbraw/zinc/79/94/63/347799463.db2.gz PWRXYUJJILWYNW-UHFFFAOYSA-N 0 0 288.306 2.542 10 30 CFEERN CCOC(=O)[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000128551402 347852805 /nfs/dbraw/zinc/85/28/05/347852805.db2.gz FSOFXRIIRMZBAE-VIFPVBQESA-N 0 0 257.211 2.876 10 30 CFEERN C=C(C)[C@@H](NN)c1cc(Br)ccc1F ZINC000126461076 347835507 /nfs/dbraw/zinc/83/55/07/347835507.db2.gz QIIOLHVYMANTBJ-SNVBAGLBSA-N 0 0 259.122 2.669 10 30 CFEERN CCCCCCCC(=O)N(CCC#N)CCOC ZINC000103883374 185858979 /nfs/dbraw/zinc/85/89/79/185858979.db2.gz ICWQSENFVIMVAO-UHFFFAOYSA-N 0 0 254.374 2.736 10 30 CFEERN CCCCCCCC(=O)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000140911429 347928808 /nfs/dbraw/zinc/92/88/08/347928808.db2.gz MCDYEDPDKXQZFV-UHFFFAOYSA-N 0 0 293.323 2.607 10 30 CFEERN Nc1ncc(/N=C/c2ccc3ccccc3c2)c(N)n1 ZINC000141302376 347930600 /nfs/dbraw/zinc/93/06/00/347930600.db2.gz FRWCKQIEUUYESB-QGMBQPNBSA-N 0 0 263.304 2.545 10 30 CFEERN CCCCCCCCC/C=C1\CC(CO)(CO)OC1=O ZINC000139150199 347918779 /nfs/dbraw/zinc/91/87/79/347918779.db2.gz DFQBQAIBGRFXDB-GXDHUFHOSA-N 0 0 284.396 2.724 10 30 CFEERN N#Cc1cc(F)c(Cl)nc1OCC(F)(F)F ZINC000139964520 347922953 /nfs/dbraw/zinc/92/29/53/347922953.db2.gz OKNUEYHTFCKDEZ-UHFFFAOYSA-N 0 0 254.570 2.687 10 30 CFEERN CC1(C)CN(c2ccc(C#Cc3ccccc3)nn2)C(=O)O1 ZINC000144307965 347940685 /nfs/dbraw/zinc/94/06/85/347940685.db2.gz TUSSXAVLJHYIML-UHFFFAOYSA-N 0 0 293.326 2.612 10 30 CFEERN N#C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000144697814 347941734 /nfs/dbraw/zinc/94/17/34/347941734.db2.gz ZCVHAOZGAQXKBW-OAHLLOKOSA-N 0 0 250.301 2.551 10 30 CFEERN CC(C)[C@@H](C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146472279 347945929 /nfs/dbraw/zinc/94/59/29/347945929.db2.gz MKKSEUWKCISIGD-CQSZACIVSA-N 0 0 252.321 2.989 10 30 CFEERN CC(C)(C)OC(=O)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000147068722 347947286 /nfs/dbraw/zinc/94/72/86/347947286.db2.gz UZERPUAWQOHXES-UHFFFAOYSA-N 0 0 281.243 2.953 10 30 CFEERN CS(=O)(=O)O[C@H]1CC[C@@H](c2ccccc2)CC1 ZINC000147876803 347948671 /nfs/dbraw/zinc/94/86/71/347948671.db2.gz PBJQZZOGJPBGNO-JOCQHMNTSA-N 0 0 254.351 2.689 10 30 CFEERN CC#CCCC(=O)c1cncc(Br)c1 ZINC000160943858 348022156 /nfs/dbraw/zinc/02/21/56/348022156.db2.gz RXPYMLYHOGYMHP-UHFFFAOYSA-N 0 0 252.111 2.830 10 30 CFEERN C#C[C@@H](C)Nc1ncc(Cl)cc1Br ZINC000162806843 348032003 /nfs/dbraw/zinc/03/20/03/348032003.db2.gz AUZONUALUXBZKA-ZCFIWIBFSA-N 0 0 259.534 2.931 10 30 CFEERN CC(=O)/C=C/c1ccc(Br)cc1[N+](=O)[O-] ZINC000165090265 348037812 /nfs/dbraw/zinc/03/78/12/348037812.db2.gz MSRYTJYUUFYDCW-NSCUHMNNSA-N 0 0 270.082 2.960 10 30 CFEERN CC1(C)CS/C(=C2/SCC(C)(C)C2=O)C1=O ZINC000169611430 348051729 /nfs/dbraw/zinc/05/17/29/348051729.db2.gz OLSSFTWEDPPHHQ-BQYQJAHWSA-N 0 0 256.392 2.882 10 30 CFEERN Nc1nc(N)c2cc(/N=C/c3ccccc3)ccc2n1 ZINC000220190466 348169679 /nfs/dbraw/zinc/16/96/79/348169679.db2.gz PHWDXVGKCBVRDZ-GIJQJNRQSA-N 0 0 263.304 2.545 10 30 CFEERN CCOC(=O)/C(=N/Cc1ccccc1)SCC ZINC000220919106 348169962 /nfs/dbraw/zinc/16/99/62/348169962.db2.gz OCPJFKZQASVZJU-OWBHPGMISA-N 0 0 251.351 2.901 10 30 CFEERN Cc1ccc(S(=O)(=O)OC2CC(C)(CC#N)C2)cc1 ZINC000221864016 348172599 /nfs/dbraw/zinc/17/25/99/348172599.db2.gz VADGYMAIAMJJLP-UHFFFAOYSA-N 0 0 279.361 2.783 10 30 CFEERN CCN[C@H](C#N)c1ccc(F)cc1Br ZINC000233578955 348217521 /nfs/dbraw/zinc/21/75/21/348217521.db2.gz VTNQYXAVXHGNMJ-SNVBAGLBSA-N 0 0 257.106 2.762 10 30 CFEERN CN[C@@H](C#N)c1cc(Br)c(Cl)s1 ZINC000227888477 348191959 /nfs/dbraw/zinc/19/19/59/348191959.db2.gz NFZGKGPECZCFJN-YFKPBYRVSA-N 0 0 265.563 2.948 10 30 CFEERN C=C[C@@H](C)Nc1ncnc(Cl)c1Br ZINC000229319403 348200642 /nfs/dbraw/zinc/20/06/42/348200642.db2.gz OUZRRRILVRAKLB-RXMQYKEDSA-N 0 0 262.538 2.879 10 30 CFEERN C=C(Br)CNc1nc(F)c(F)cc1F ZINC000229316451 348200797 /nfs/dbraw/zinc/20/07/97/348200797.db2.gz MGKIPEMUZOKPTA-UHFFFAOYSA-N 0 0 267.048 2.819 10 30 CFEERN C#C[C@H](C)Nc1cc(Br)nc(CCC)n1 ZINC000229337018 348200829 /nfs/dbraw/zinc/20/08/29/348200829.db2.gz GSJLEYDUWOZCIF-QMMMGPOBSA-N 0 0 268.158 2.625 10 30 CFEERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000230057757 348203700 /nfs/dbraw/zinc/20/37/00/348203700.db2.gz ODAJRLPZTKHZGO-MFKMUULPSA-N 0 0 260.312 2.750 10 30 CFEERN N#CCc1cc(Br)cc(OC(F)(F)F)n1 ZINC000238525140 348246562 /nfs/dbraw/zinc/24/65/62/348246562.db2.gz OGBAOMZVYAJPPT-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN Cc1cc(I)ccc1CC#N ZINC000238546822 348247042 /nfs/dbraw/zinc/24/70/42/348247042.db2.gz NLRJCSXGUHPHNG-UHFFFAOYSA-N 0 0 257.074 2.666 10 30 CFEERN N#Cc1ncc(OC(F)(F)F)cc1Br ZINC000238539969 348247085 /nfs/dbraw/zinc/24/70/85/348247085.db2.gz PKNRVMHIUMKVNO-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN Cc1ccc(I)cc1NCC#N ZINC000300981900 348370588 /nfs/dbraw/zinc/37/05/88/348370588.db2.gz SFZLACAEZWZXAI-UHFFFAOYSA-N 0 0 272.089 2.535 10 30 CFEERN Cc1c(I)cccc1NCC#N ZINC000300933041 348370980 /nfs/dbraw/zinc/37/09/80/348370980.db2.gz IVLCZFPEVTZOSP-UHFFFAOYSA-N 0 0 272.089 2.535 10 30 CFEERN C=C[C@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000301052789 348371391 /nfs/dbraw/zinc/37/13/91/348371391.db2.gz WWAPAKKYWAQPCL-YUMQZZPRSA-N 0 0 259.758 2.780 10 30 CFEERN N#CCOc1c(N)cc(Br)cc1Cl ZINC000306356988 348386569 /nfs/dbraw/zinc/38/65/69/348386569.db2.gz ZIRZMLLMFKTTKK-UHFFFAOYSA-N 0 0 261.506 2.587 10 30 CFEERN C[C@@H](C#N)[C@@H](O)c1cccc(F)c1Br ZINC000306554789 348389449 /nfs/dbraw/zinc/38/94/49/348389449.db2.gz LOTXQKFSYQJFCZ-QUBYGPBYSA-N 0 0 258.090 2.781 10 30 CFEERN N#Cc1c(N)ccc(C(F)(F)F)c1Br ZINC000307367251 348398779 /nfs/dbraw/zinc/39/87/79/348398779.db2.gz MRBXSPHOZUMYRP-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN Cc1nnc([C@H](C)N[C@H]2CCCC[C@H]2C#N)s1 ZINC000391910239 348544951 /nfs/dbraw/zinc/54/49/51/348544951.db2.gz CRHWXAKSGHTOPC-LSJOCFKGSA-N 0 0 250.371 2.580 10 30 CFEERN N#CCc1c(N)ccc(Br)c1OC(F)(F)F ZINC000396039916 348552530 /nfs/dbraw/zinc/55/25/30/348552530.db2.gz KKKCORPNXUNHKM-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN NC(=O)c1c(F)ccc(C(F)(F)F)c1C(F)(F)F ZINC000514269424 348640069 /nfs/dbraw/zinc/64/00/69/348640069.db2.gz QGBXVOATNFEHJR-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN NC(=O)c1cc(F)cc(C(F)(F)F)c1C(F)(F)F ZINC000514269470 348640131 /nfs/dbraw/zinc/64/01/31/348640131.db2.gz YSLVOIKKHDHULQ-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN N#Cc1cc(C(N)=O)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000514269404 348640155 /nfs/dbraw/zinc/64/01/55/348640155.db2.gz GVSVASXIKQMOOV-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN C=CC[C@H](Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000584595949 348683537 /nfs/dbraw/zinc/68/35/37/348683537.db2.gz MWCNGBUCUUZZBS-SNVBAGLBSA-N 0 0 257.255 2.926 10 30 CFEERN C=C[C@H](O)[C@H](CO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000584596573 348683649 /nfs/dbraw/zinc/68/36/49/348683649.db2.gz KLGZXZKCFZMFBG-YESZJQIVSA-N 0 0 276.376 2.935 10 30 CFEERN C=CC[C@@H](C#N)Cc1cc(OC)c(OC)c(OC)c1 ZINC000584595908 348683816 /nfs/dbraw/zinc/68/38/16/348683816.db2.gz KQAGHMXFXFTHSL-LLVKDONJSA-N 0 0 261.321 2.971 10 30 CFEERN CCOC(=O)[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000584602997 348686526 /nfs/dbraw/zinc/68/65/26/348686526.db2.gz KCSMQRDMJWRDQH-VIFPVBQESA-N 0 0 298.136 2.628 10 30 CFEERN COc1cc2ccnc(C#N)c2cc1Br ZINC000584620043 348691812 /nfs/dbraw/zinc/69/18/12/348691812.db2.gz ZDEJTJYLTURBKZ-UHFFFAOYSA-N 0 0 263.094 2.878 10 30 CFEERN Nc1nc(N)c2cc(N=Cc3ccc(Cl)cc3)ccc2n1 ZINC000584623068 348693501 /nfs/dbraw/zinc/69/35/01/348693501.db2.gz BTPALGGKQNWTLE-UFWORHAWSA-N 0 0 297.749 2.859 10 30 CFEERN CC1=C(C(F)(F)F)C(=O)C(C)=C(C(F)(F)F)C1=O ZINC000584623633 348693565 /nfs/dbraw/zinc/69/35/65/348693565.db2.gz XKWFJNMGMLHGKG-UHFFFAOYSA-N 0 0 272.144 2.896 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cncc(Cl)n1 ZINC000584628199 348694622 /nfs/dbraw/zinc/69/46/22/348694622.db2.gz AMRVWCUZJVVHDO-CHWSQXEVSA-N 0 0 287.750 2.903 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cnc(Cl)cn1 ZINC000584628787 348694677 /nfs/dbraw/zinc/69/46/77/348694677.db2.gz VHZATGCFGFARAV-CHWSQXEVSA-N 0 0 287.750 2.903 10 30 CFEERN COc1cc([C@@H](C#N)c2ccccn2)cc(OC)c1OC ZINC000584628372 348694875 /nfs/dbraw/zinc/69/48/75/348694875.db2.gz CJJTWGJYVYWEDL-GFCCVEGCSA-N 0 0 284.315 2.763 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1ncccc1F ZINC000584629254 348695267 /nfs/dbraw/zinc/69/52/67/348695267.db2.gz MESFMMGUSKFFER-ZIAGYGMSSA-N 0 0 270.307 2.994 10 30 CFEERN C=C[C@@](O)(c1ccc(N(C)C)cc1)c1ccccn1 ZINC000584629249 348695469 /nfs/dbraw/zinc/69/54/69/348695469.db2.gz MEDSAYKWIWNJKO-MRXNPFEDSA-N 0 0 254.333 2.570 10 30 CFEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1ccccc1F ZINC000584633343 348696431 /nfs/dbraw/zinc/69/64/31/348696431.db2.gz DJUNEYADWRPJNT-ZFWWWQNUSA-N 0 0 270.307 2.994 10 30 CFEERN COc1ccc([C@H](CCO)[C@@H](C#N)c2ccccc2)cn1 ZINC000584633615 348696446 /nfs/dbraw/zinc/69/64/46/348696446.db2.gz BYFYBFSCHJZEDS-HOTGVXAUSA-N 0 0 282.343 2.864 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1ccncc1F ZINC000584637269 348698865 /nfs/dbraw/zinc/69/88/65/348698865.db2.gz OLBVLGHCEBCEPN-DZGCQCFKSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@H](c1cccc(F)c1)[C@H](CCO)c1cnco1 ZINC000584638459 348699032 /nfs/dbraw/zinc/69/90/32/348699032.db2.gz ABQOKCCTXNSZAL-QWHCGFSZSA-N 0 0 260.268 2.587 10 30 CFEERN COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1C#N ZINC000584641110 348700202 /nfs/dbraw/zinc/70/02/02/348700202.db2.gz FRGNAJIDABIWHR-UHFFFAOYSA-N 0 0 260.680 2.988 10 30 CFEERN C=CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000584644877 348700758 /nfs/dbraw/zinc/70/07/58/348700758.db2.gz LCXSNKXFPJJXAM-LLVKDONJSA-N 0 0 289.253 2.829 10 30 CFEERN CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000593450034 349273182 /nfs/dbraw/zinc/27/31/82/349273182.db2.gz IVVKDGUIUNCODP-WDEREUQCSA-N 0 0 263.366 2.746 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccncc2c1 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/nfs/dbraw/zinc/79/49/11/382794911.db2.gz FDUUGUOWPLYDRA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1cc(O)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575661830 382781635 /nfs/dbraw/zinc/78/16/35/382781635.db2.gz MWAPSDMYPOGFAH-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1c(O)cc(OC(F)F)cc1OC(F)(F)F ZINC000575661792 382781650 /nfs/dbraw/zinc/78/16/50/382781650.db2.gz LWRZFQWNTUCXFC-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#CCc1cc(N)cc(Cl)c1I ZINC000575715920 382794968 /nfs/dbraw/zinc/79/49/68/382794968.db2.gz ZANDVOFSECJTFM-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#CCc1cc(I)c(N)cc1Cl ZINC000575715853 382795006 /nfs/dbraw/zinc/79/50/06/382795006.db2.gz UXIYMTZWHYGZQR-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOC(=O)c1cc(OCC)cc(OCC)c1C#N ZINC000575669870 382783271 /nfs/dbraw/zinc/78/32/71/382783271.db2.gz AEBXCWQUUISATA-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOC(=O)c1cc(OCC)c(C#N)cc1OC(F)F ZINC000575670096 382783621 /nfs/dbraw/zinc/78/36/21/382783621.db2.gz DJOAZMGHIALIOX-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN N#Cc1c(Cl)ccc(Br)c1[N+](=O)[O-] ZINC000575676591 382784688 /nfs/dbraw/zinc/78/46/88/382784688.db2.gz BNBRAZKWEWVIJK-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COC(=O)c1ccc2c(c1)[nH]c1cccc(C#N)c12 ZINC000216861297 382784750 /nfs/dbraw/zinc/78/47/50/382784750.db2.gz ZPRZNIBPWNAVAJ-UHFFFAOYSA-N 0 0 250.257 2.979 10 30 CFEERN COC(=O)c1ccc(-c2ccccc2C#N)c([N+](=O)[O-])c1 ZINC000216866704 382784838 /nfs/dbraw/zinc/78/48/38/382784838.db2.gz VYJHHAWUVCJPER-UHFFFAOYSA-N 0 0 282.255 2.920 10 30 CFEERN COc1cc(CC#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575677764 382784935 /nfs/dbraw/zinc/78/49/35/382784935.db2.gz DVUICQBVYCGZIQ-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1cc(C(F)(F)F)c(OC(F)F)cc1N ZINC000575718051 382795212 /nfs/dbraw/zinc/79/52/12/382795212.db2.gz WYGRJXMAQSYTHQ-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1c(O)c(Br)ccc1OC(F)F ZINC000575682122 382786116 /nfs/dbraw/zinc/78/61/16/382786116.db2.gz KMHKCGUEJTUMIQ-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(OC(F)F)cc(Br)c1O ZINC000575682575 382786542 /nfs/dbraw/zinc/78/65/42/382786542.db2.gz YADSIYQJWBUVMD-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(N)cc(C(F)(F)F)c1OC(F)F ZINC000575717734 382795265 /nfs/dbraw/zinc/79/52/65/382795265.db2.gz SHBSPKUFSZHUNC-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1c(Br)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575684046 382787064 /nfs/dbraw/zinc/78/70/64/382787064.db2.gz CYBFGGPJBXNGEU-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1cc([N+](=O)[O-])cc(OC(F)F)c1Br ZINC000575685798 382787774 /nfs/dbraw/zinc/78/77/74/382787774.db2.gz LQMCCXPJTYEEGD-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1cc(N)cc(OC(F)F)c1OC(F)(F)F ZINC000575718176 382795507 /nfs/dbraw/zinc/79/55/07/382795507.db2.gz ZNAOMOHJZVIKFX-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN COc1c(C)cc(CC#N)cc1I ZINC000575708966 382792912 /nfs/dbraw/zinc/79/29/12/382792912.db2.gz QAEJWQOKGTWITQ-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(Br)c1CC ZINC000575341616 382759493 /nfs/dbraw/zinc/75/94/93/382759493.db2.gz NGXPPFUXWNVPRJ-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN C=CCN(Cc1cccs1)Cc1nnc(CC)n1C ZINC000195030955 382759821 /nfs/dbraw/zinc/75/98/21/382759821.db2.gz OJNALSDHCALKPW-UHFFFAOYSA-N 0 0 276.409 2.627 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575343729 382760028 /nfs/dbraw/zinc/76/00/28/382760028.db2.gz DTKXQLKRHPXBGS-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)cc1OC(F)(F)F ZINC000575344874 382760256 /nfs/dbraw/zinc/76/02/56/382760256.db2.gz FCSUXEZCXPPWPY-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN CCOC(=O)c1cc(F)c(C(F)(F)F)c(C#N)c1 ZINC000575344928 382760258 /nfs/dbraw/zinc/76/02/58/382760258.db2.gz JSQNQNJFPGFSMX-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1c(C#N)c(F)ccc1C(F)(F)F ZINC000575344880 382760286 /nfs/dbraw/zinc/76/02/86/382760286.db2.gz FNFIOJSJGZJJED-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1c(F)c(C#N)ccc1C(F)(F)F ZINC000575345088 382760296 /nfs/dbraw/zinc/76/02/96/382760296.db2.gz WIGZWMRGYBPKBD-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cccc(C(F)(F)F)c1C#N ZINC000575345236 382760342 /nfs/dbraw/zinc/76/03/42/382760342.db2.gz LYBIOCWDKBCHDT-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)c1ccc(OC(F)(F)F)cc1C#N ZINC000575344868 382760410 /nfs/dbraw/zinc/76/04/10/382760410.db2.gz DEBCKMHWAWZATO-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)CCCC(=O)c1cccc(F)c1C#N ZINC000575361642 382761268 /nfs/dbraw/zinc/76/12/68/382761268.db2.gz AXYJWKLOOBACLQ-UHFFFAOYSA-N 0 0 263.268 2.613 10 30 CFEERN O=C(/C=C/I)c1ccccc1 ZINC000220363660 382796144 /nfs/dbraw/zinc/79/61/44/382796144.db2.gz KTBPICPWOJCASE-VOTSOKGWSA-N 0 0 258.058 2.818 10 30 CFEERN N#Cc1cn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12 ZINC000226361992 382827181 /nfs/dbraw/zinc/82/71/81/382827181.db2.gz ZSXARTGRIKLDPJ-UHFFFAOYSA-N 0 0 290.278 2.930 10 30 CFEERN CCS[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233862374 382872460 /nfs/dbraw/zinc/87/24/60/382872460.db2.gz CZDUEPCWLAWGOA-SKDRFNHKSA-N 0 0 292.364 2.948 10 30 CFEERN N#Cc1cc(F)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245849596 383039345 /nfs/dbraw/zinc/03/93/45/383039345.db2.gz KVFYRMCDJMFWQP-HZPDHXFCSA-N 0 0 274.339 2.841 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248644192 383277305 /nfs/dbraw/zinc/27/73/05/383277305.db2.gz ZIXKZBLKPNRTJF-AJNGGQMLSA-N 0 0 293.407 2.921 10 30 CFEERN Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)c(C#N)c(C)n1 ZINC000251087445 383385171 /nfs/dbraw/zinc/38/51/71/383385171.db2.gz YQWHEEOQXKDPCB-WMLDXEAASA-N 0 0 285.391 2.702 10 30 CFEERN NS(=O)(=O)c1ccc(N=Cc2ccc(Cl)cc2)cc1 ZINC000254629675 383469576 /nfs/dbraw/zinc/46/95/76/383469576.db2.gz VQQSDPZPWPCNKN-UHFFFAOYSA-N 0 0 294.763 2.738 10 30 CFEERN CCOC(=O)c1c(N=CN(C)C)sc2c1CCCC2=O ZINC000254854684 383471882 /nfs/dbraw/zinc/47/18/82/383471882.db2.gz MTVHOACKZWMVOJ-UHFFFAOYSA-N 0 0 294.376 2.665 10 30 CFEERN N#Cc1cccc(Cl)c1N1CCC[C@@H](n2cncn2)C1 ZINC000266150004 384095368 /nfs/dbraw/zinc/09/53/68/384095368.db2.gz WSBWPBCVIBPVLO-GFCCVEGCSA-N 0 0 287.754 2.645 10 30 CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 ZINC000005866390 285119621 /nfs/dbraw/zinc/11/96/21/285119621.db2.gz GCEQJUADWFNJDR-YTIIOJNOSA-N 0 0 288.263 2.867 10 30 CFEERN N#Cc1sc(N2CC[C@@]3(O)CCCC[C@@H]3C2)nc1Cl ZINC000286280638 385582261 /nfs/dbraw/zinc/58/22/61/385582261.db2.gz RDJNETDTCPCLGF-RNCFNFMXSA-N 0 0 297.811 2.800 10 30 CFEERN C=CC[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000187238661 260030022 /nfs/dbraw/zinc/03/00/22/260030022.db2.gz LJHXBZAYOZUIAW-DZKIICNBSA-N 0 0 273.376 2.982 10 30 CFEERN Cn1cc2c(n1)CCC[C@@H]2Nc1ccc(C#N)cc1F ZINC000282359532 195586333 /nfs/dbraw/zinc/58/63/33/195586333.db2.gz XGVDWVPGFFDZQC-ZDUSSCGKSA-N 0 0 270.311 2.920 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@H]2C[C@@H]2CCC)nc1 ZINC000301466975 393471983 /nfs/dbraw/zinc/47/19/83/393471983.db2.gz XTZQONXMACTNKU-AAEUAGOBSA-N 0 0 259.353 2.598 10 30 CFEERN CCOC(=O)N[C@H](c1ccc(OC)cc1)[C@@H](C=O)C(C)C ZINC000012506060 393474116 /nfs/dbraw/zinc/47/41/16/393474116.db2.gz VEKULCRPYMVBTR-LSDHHAIUSA-N 0 0 293.363 2.954 10 30 CFEERN Cc1cc(N[C@@H]2COc3ccccc32)cc(C#N)n1 ZINC000308277447 393515677 /nfs/dbraw/zinc/51/56/77/393515677.db2.gz KGRFVENKYBEPIL-CQSZACIVSA-N 0 0 251.289 2.807 10 30 CFEERN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccc(C)o1 ZINC000183073352 393516641 /nfs/dbraw/zinc/51/66/41/393516641.db2.gz LUZRRWXMXICWIN-CYBMUJFWSA-N 0 0 264.369 2.663 10 30 CFEERN N#Cc1nc(Br)sc1Br ZINC000038478259 393539375 /nfs/dbraw/zinc/53/93/75/393539375.db2.gz MJFYQFOBKFEGNO-UHFFFAOYSA-N 0 0 267.933 2.540 10 30 CFEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](CC)CC#N ZINC000187897978 393560352 /nfs/dbraw/zinc/56/03/52/393560352.db2.gz MRSDVBOBRPLLIZ-VXGBXAGGSA-N 0 0 298.383 2.915 10 30 CFEERN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](CC)CC#N ZINC000187897928 393560536 /nfs/dbraw/zinc/56/05/36/393560536.db2.gz MRSDVBOBRPLLIZ-NWDGAFQWSA-N 0 0 298.383 2.915 10 30 CFEERN N#Cc1cccc(-c2nc(Br)cs2)n1 ZINC000072204216 393641966 /nfs/dbraw/zinc/64/19/66/393641966.db2.gz HWZMXLNGTSOLRC-UHFFFAOYSA-N 0 0 266.123 2.839 10 30 CFEERN N#Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)nc1 ZINC000107426941 393869755 /nfs/dbraw/zinc/86/97/55/393869755.db2.gz CHGKEOYGIRLQOV-HNNXBMFYSA-N 0 0 277.327 2.761 10 30 CFEERN COc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)c(OC)c1 ZINC000109554166 393879741 /nfs/dbraw/zinc/87/97/41/393879741.db2.gz MCDRAZZUJZJLJN-IUODEOHRSA-N 0 0 274.364 2.876 10 30 CFEERN COc1ccc(CN[C@H]2CCCC[C@H]2C#N)c(OC)c1 ZINC000109554176 393879817 /nfs/dbraw/zinc/87/98/17/393879817.db2.gz MCDRAZZUJZJLJN-WFASDCNBSA-N 0 0 274.364 2.876 10 30 CFEERN C=C(C)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121059230 393947102 /nfs/dbraw/zinc/94/71/02/393947102.db2.gz ZFDLEMNQKBJTPR-SMDDNHRTSA-N 0 0 253.292 2.649 10 30 CFEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCC[C@H]1O ZINC000125454636 394008165 /nfs/dbraw/zinc/00/81/65/394008165.db2.gz WFOVBFDOUQMPPE-NWDGAFQWSA-N 0 0 270.254 2.902 10 30 CFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000134864013 394205285 /nfs/dbraw/zinc/20/52/85/394205285.db2.gz QFMWTCHXLBWAJH-TVQRCGJNSA-N 0 0 264.275 2.695 10 30 CFEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151048218 394259028 /nfs/dbraw/zinc/25/90/28/394259028.db2.gz QNZCDKRFOHOZLJ-CZUORRHYSA-N 0 0 284.359 2.640 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151018698 394259229 /nfs/dbraw/zinc/25/92/29/394259229.db2.gz WOYGYXJULYIQNZ-ZBFHGGJFSA-N 0 0 273.376 2.811 10 30 CFEERN C[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 ZINC000152117714 394271222 /nfs/dbraw/zinc/27/12/22/394271222.db2.gz UFEPYOGCBCNSGV-QPUJVOFHSA-N 0 0 296.273 2.666 10 30 CFEERN CCc1cc(C#N)c(NC(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000154887215 394304108 /nfs/dbraw/zinc/30/41/08/394304108.db2.gz XOYMGNMQJKZZOE-GZMMTYOYSA-N 0 0 264.350 2.688 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000178574946 394389529 /nfs/dbraw/zinc/38/95/29/394389529.db2.gz HCPRAENPLDMPCT-UKRRQHHQSA-N 0 0 287.363 2.539 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@+]1(C)[O-] ZINC000575626746 395091869 /nfs/dbraw/zinc/09/18/69/395091869.db2.gz KMCUGUZTYBNDJU-CXAGYDPISA-O 0 0 263.361 2.630 10 30 CFEERN C=C(C)C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000405536158 543020995 /nfs/dbraw/zinc/02/09/95/543020995.db2.gz XLQNNTVVWILIKH-CQSZACIVSA-N 0 0 253.342 2.779 10 30 CFEERN C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)CC1CC1 ZINC000405933462 543025937 /nfs/dbraw/zinc/02/59/37/543025937.db2.gz NWCCHUJDISMBNL-LLVKDONJSA-N 0 0 253.342 2.825 10 30 CFEERN Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1 ZINC000343060181 154100130 /nfs/dbraw/zinc/10/01/30/154100130.db2.gz JGQMZJWVAXGEGG-CLLJXQQHSA-N 0 0 259.353 2.877 10 30 CFEERN COc1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1O ZINC000004923104 170041443 /nfs/dbraw/zinc/04/14/43/170041443.db2.gz SDJKCCFLHOVUPE-OQLLNIDSSA-N 0 0 287.275 2.755 10 30 CFEERN COc1cc(OC)c(OC)cc1CN=Nc1ccccn1 ZINC000005889323 170151161 /nfs/dbraw/zinc/15/11/61/170151161.db2.gz ZQJWQOKJESUOJW-LICLKQGHSA-N 0 0 287.319 2.553 10 30 CFEERN N#Cc1c(N)cccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000005932908 170157307 /nfs/dbraw/zinc/15/73/07/170157307.db2.gz MUOQJILAACPVBP-UHFFFAOYSA-N 0 0 292.747 2.627 10 30 CFEERN COc1ccc(OC(=O)C(C)C)c([C@@H]2O[C@H]2C)c1 ZINC000006066877 170173569 /nfs/dbraw/zinc/17/35/69/170173569.db2.gz WSPQJFZGVXTTPB-TVQRCGJNSA-N 0 0 250.294 2.716 10 30 CFEERN C=CCNC(=S)N/N=C/c1cccc(C(F)(F)F)c1 ZINC000006312933 170190156 /nfs/dbraw/zinc/19/01/56/170190156.db2.gz YDFUIASYAIMKLX-CAOOACKPSA-N 0 0 287.310 2.689 10 30 CFEERN O=C(/C=C/c1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1 ZINC000006525037 170209726 /nfs/dbraw/zinc/20/97/26/170209726.db2.gz MOPYIPOZUDHBJM-IJIVKGSJSA-N 0 0 298.294 2.805 10 30 CFEERN CCCOc1cccc(CN=NC(=S)NCC)c1 ZINC000006636334 170220744 /nfs/dbraw/zinc/22/07/44/170220744.db2.gz IQDSNNQTAWUMPQ-XNTDXEJSSA-N 0 0 265.382 2.705 10 30 CFEERN CCOC(=O)/C(=N\Nc1ccccc1C)N(CC)CC ZINC000006937424 170256617 /nfs/dbraw/zinc/25/66/17/170256617.db2.gz RFAQWVWQCFACEB-SAPNQHFASA-N 0 0 277.368 2.625 10 30 CFEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000007377364 170280392 /nfs/dbraw/zinc/28/03/92/170280392.db2.gz NPMLIZFUZREJFF-ZOWXZIJZSA-N 0 0 292.404 2.661 10 30 CFEERN C=CCOc1ccccc1NC(=O)c1cccnc1 ZINC000009815652 170386177 /nfs/dbraw/zinc/38/61/77/170386177.db2.gz CLGTZOQFDIUZFY-UHFFFAOYSA-N 0 0 254.289 2.899 10 30 CFEERN C/C(CCc1ccc(OCC(=O)NCC(C)C)cc1)=N\O ZINC000019426761 170795130 /nfs/dbraw/zinc/79/51/30/170795130.db2.gz JSRUXRSKSRJQQE-QGOAFFKASA-N 0 0 292.379 2.620 10 30 CFEERN Cc1ccc(Sc2cc(/C(N)=N/O)ccn2)cc1C ZINC000019847856 170897046 /nfs/dbraw/zinc/89/70/46/170897046.db2.gz PJYMYFBHJRVWSK-UHFFFAOYSA-N 0 0 273.361 2.944 10 30 CFEERN COc1ccc(CNc2ccccc2C#N)cc1O ZINC000019921376 170928609 /nfs/dbraw/zinc/92/86/09/170928609.db2.gz FBGOXEWAKFGRBG-UHFFFAOYSA-N 0 0 254.289 2.885 10 30 CFEERN N#C[C@@H](NCCCO)c1ccc(Cl)cc1Cl ZINC000020176994 171042656 /nfs/dbraw/zinc/04/26/56/171042656.db2.gz OLEUZCGCXUSLQO-LLVKDONJSA-N 0 0 259.136 2.530 10 30 CFEERN C[C@H](Nc1ccccc1C#N)C(=O)Nc1ccccc1 ZINC000020304169 171140784 /nfs/dbraw/zinc/14/07/84/171140784.db2.gz GYUDYHMLUFIRRE-LBPRGKRZSA-N 0 0 265.316 2.997 10 30 CFEERN C#Cc1cccc(N[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000020369638 171167944 /nfs/dbraw/zinc/16/79/44/171167944.db2.gz OZZLOKFSVOFSQB-CYBMUJFWSA-N 0 0 270.376 2.917 10 30 CFEERN C=C(Cl)COc1c(Cl)cc(CO)cc1OC ZINC000020377512 171171993 /nfs/dbraw/zinc/17/19/93/171171993.db2.gz MXWURFDEZDSPTE-UHFFFAOYSA-N 0 0 263.120 2.972 10 30 CFEERN CCCCCCOCc1ccc(/C(N)=N/O)cc1 ZINC000020516457 171232488 /nfs/dbraw/zinc/23/24/88/171232488.db2.gz XUEPTFPAWTUIOP-UHFFFAOYSA-N 0 0 250.342 2.878 10 30 CFEERN N#Cc1ccccc1NC(=O)Nc1cccc(N)c1 ZINC000021804958 171327173 /nfs/dbraw/zinc/32/71/73/171327173.db2.gz MYPIQPWUJAMUFY-UHFFFAOYSA-N 0 0 252.277 2.784 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)cc2)o1 ZINC000021839623 171334941 /nfs/dbraw/zinc/33/49/41/171334941.db2.gz OJNCNFCQPBLGHM-NSHDSACASA-N 0 0 254.289 2.951 10 30 CFEERN C=CCN1N=C(/C=C\c2ccc(OC)cc2)CCC1=O ZINC000033336592 171785118 /nfs/dbraw/zinc/78/51/18/171785118.db2.gz CGJNSCLEVFRBJB-DAXSKMNVSA-N 0 0 270.332 2.873 10 30 CFEERN COc1ccc([C@H](C#N)C(=O)c2cccnc2)cc1 ZINC000034458913 171840563 /nfs/dbraw/zinc/84/05/63/171840563.db2.gz RCEWDAXOZMSHRU-AWEZNQCLSA-N 0 0 252.273 2.580 10 30 CFEERN CCCOc1cc(C=Nn2cn[nH]c2=S)ccc1OC ZINC000034881011 171890805 /nfs/dbraw/zinc/89/08/05/171890805.db2.gz LOSYZGWSYQPYJV-NVNXTCNLSA-N 0 0 292.364 2.620 10 30 CFEERN N#Cc1ccc(C(=O)COc2ccc(F)cc2)cc1 ZINC000035224905 172069272 /nfs/dbraw/zinc/06/92/72/172069272.db2.gz ZZLCROIVUYKPLL-UHFFFAOYSA-N 0 0 255.248 2.959 10 30 CFEERN CC[C@H](C/C(N)=N/O)Sc1ccccc1[N+](=O)[O-] ZINC000035286758 172105450 /nfs/dbraw/zinc/10/54/50/172105450.db2.gz RWAQLFJNDZVZMH-MRVPVSSYSA-N 0 0 269.326 2.602 10 30 CFEERN CCCC1N=NC(=S)N1N=Cc1ccc(CC)cc1 ZINC000035455833 172206753 /nfs/dbraw/zinc/20/67/53/172206753.db2.gz IVAMGCJNMHMXOT-GDNBJRDFSA-N 0 0 274.393 2.964 10 30 CFEERN COc1ccc(/C(=N\N)c2nccc3ccccc32)cc1 ZINC000035576089 172272872 /nfs/dbraw/zinc/27/28/72/172272872.db2.gz MYNUIXIFFMTIJP-CAPFRKAQSA-N 0 0 277.327 2.955 10 30 CFEERN COc1ccc(Nc2ccc(C#N)cc2N)cc1OC ZINC000035674516 172345292 /nfs/dbraw/zinc/34/52/92/172345292.db2.gz MANLQTMLOZTLQU-UHFFFAOYSA-N 0 0 269.304 2.901 10 30 CFEERN COc1ccc(C(=O)/C=C\c2cnn(C)c2C)cc1 ZINC000035678687 172349918 /nfs/dbraw/zinc/34/99/18/172349918.db2.gz KALPCCNLRAFNFM-TWGQIWQCSA-N 0 0 256.305 2.633 10 30 CFEERN CC(C)N(CCC#N)C(=O)c1ccc(N)cc1Cl ZINC000036798167 172720153 /nfs/dbraw/zinc/72/01/53/172720153.db2.gz GEQMBSOIQUBPJY-UHFFFAOYSA-N 0 0 265.744 2.686 10 30 CFEERN C=C(C)CN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037250770 173063255 /nfs/dbraw/zinc/06/32/55/173063255.db2.gz LDLPDAFICPAMEO-UHFFFAOYSA-N 0 0 266.272 2.772 10 30 CFEERN CC(C)(C)C(=O)[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000037348128 173144335 /nfs/dbraw/zinc/14/43/35/173144335.db2.gz CBDJZHQFVMHQMX-NSHDSACASA-N 0 0 259.305 2.680 10 30 CFEERN COc1cc(C#N)ccc1OCCc1ccncc1 ZINC000037489259 173230803 /nfs/dbraw/zinc/23/08/03/173230803.db2.gz CGKIOCXWOJAYKH-UHFFFAOYSA-N 0 0 254.289 2.583 10 30 CFEERN O=C(Nc1ccc(C#CCO)cc1F)c1ccc(F)cc1 ZINC000037548847 173266027 /nfs/dbraw/zinc/26/60/27/173266027.db2.gz SRUIKYCLYCEVRA-UHFFFAOYSA-N 0 0 287.265 2.561 10 30 CFEERN C=CCN(C(=O)c1ccc(Cl)c(N)c1)C(C)C ZINC000037817748 173767883 /nfs/dbraw/zinc/76/78/83/173767883.db2.gz BYBLUSPLLJVDFR-UHFFFAOYSA-N 0 0 252.745 2.959 10 30 CFEERN Cc1cc(C(=O)N(CCC#N)CC(C)C)ccc1N ZINC000037822633 173776826 /nfs/dbraw/zinc/77/68/26/173776826.db2.gz PKTJSOGVJKNZRA-UHFFFAOYSA-N 0 0 259.353 2.589 10 30 CFEERN CCC(C#N)(CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000037934624 173875675 /nfs/dbraw/zinc/87/56/75/173875675.db2.gz NTXDXKSEDYSMEO-UHFFFAOYSA-N 0 0 267.350 2.551 10 30 CFEERN COc1ccc([C@H](C#N)N(C)C)cc1Br ZINC000038052561 174063908 /nfs/dbraw/zinc/06/39/08/174063908.db2.gz XICNUDLHPKDTTG-JTQLQIEISA-N 0 0 269.142 2.584 10 30 CFEERN N#Cc1ccccc1OCCCn1cc(Cl)cn1 ZINC000038053490 174065233 /nfs/dbraw/zinc/06/52/33/174065233.db2.gz IAXWJCVSZKIEAG-UHFFFAOYSA-N 0 0 261.712 2.877 10 30 CFEERN OCC#Cc1c(OCC2CC2)ccc2ccccc21 ZINC000038077801 174088194 /nfs/dbraw/zinc/08/81/94/174088194.db2.gz WPAYVWKBUZFQEE-UHFFFAOYSA-N 0 0 252.313 2.972 10 30 CFEERN Cc1cccc(Oc2ncccc2C#N)c1[N+](=O)[O-] ZINC000038081837 174091136 /nfs/dbraw/zinc/09/11/36/174091136.db2.gz PKDPGXYLTBRKEV-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN C=CCN(C(=O)c1ccc(Cl)nn1)C1CCCC1 ZINC000038108014 174121497 /nfs/dbraw/zinc/12/14/97/174121497.db2.gz INVJIYNTNUUCMZ-UHFFFAOYSA-N 0 0 265.744 2.701 10 30 CFEERN CCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N ZINC000039841446 174173474 /nfs/dbraw/zinc/17/34/74/174173474.db2.gz YIWWSZOTSBWCDW-UHFFFAOYSA-N 0 0 273.292 2.662 10 30 CFEERN CCN[C@](C)(C#N)c1cccc(Br)c1 ZINC000040177297 174202187 /nfs/dbraw/zinc/20/21/87/174202187.db2.gz MWPVHZUGLNGUQK-LLVKDONJSA-N 0 0 253.143 2.797 10 30 CFEERN C=C(C)C(=O)NCc1nc2ccccc2n1CC(C)C ZINC000040194163 174203252 /nfs/dbraw/zinc/20/32/52/174203252.db2.gz RZTSQSYMFKYIMY-UHFFFAOYSA-N 0 0 271.364 2.885 10 30 CFEERN N#C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1 ZINC000040220592 174206709 /nfs/dbraw/zinc/20/67/09/174206709.db2.gz YMKIZUVZRCULKT-CQSZACIVSA-N 0 0 257.337 2.883 10 30 CFEERN CC(C)(C#N)NC(=O)c1ccc2ccccc2c1O ZINC000040221419 174206917 /nfs/dbraw/zinc/20/69/17/174206917.db2.gz IYJZGPZGAWLVIJ-UHFFFAOYSA-N 0 0 254.289 2.577 10 30 CFEERN CCC[C@@H](C#N)N1C(=O)CC2(CCCCCC2)C1=O ZINC000040222362 174207461 /nfs/dbraw/zinc/20/74/61/174207461.db2.gz GCLMCUPTJHXZPF-LBPRGKRZSA-N 0 0 262.353 2.778 10 30 CFEERN C=CCN(C)C(=O)c1cc(-c2ccccc2OC)nn1CC ZINC000040355140 174245435 /nfs/dbraw/zinc/24/54/35/174245435.db2.gz MEKPTINQFAGBNF-UHFFFAOYSA-N 0 0 299.374 2.837 10 30 CFEERN CNC(SCc1cccc(C)c1)=C1C(=O)CCCC1=O ZINC000040570323 174338392 /nfs/dbraw/zinc/33/83/92/174338392.db2.gz ZQSGGGXVPQJUGU-UHFFFAOYSA-N 0 0 289.400 2.981 10 30 CFEERN CNC(SCc1ccc(C)cc1)=C1C(=O)CCCC1=O ZINC000040570322 174338500 /nfs/dbraw/zinc/33/85/00/174338500.db2.gz JNTWDKJVDSKRFW-UHFFFAOYSA-N 0 0 289.400 2.981 10 30 CFEERN C=CCNc1ncnc(Nc2ccccc2C)c1N ZINC000040708975 174380158 /nfs/dbraw/zinc/38/01/58/174380158.db2.gz GJMJINRELCQJQW-UHFFFAOYSA-N 0 0 255.325 2.709 10 30 CFEERN Cc1nn(CCOc2cccc(C#N)c2)c(C)c1C ZINC000040730094 174388061 /nfs/dbraw/zinc/38/80/61/174388061.db2.gz SRPPUDHMTMAVJH-UHFFFAOYSA-N 0 0 255.321 2.759 10 30 CFEERN N#Cc1cc(N)ccc1N1CCC[C@@H]1c1cccnc1 ZINC000041021020 174452013 /nfs/dbraw/zinc/45/20/13/174452013.db2.gz DENVFOBEEWLYLA-OAHLLOKOSA-N 0 0 264.332 2.877 10 30 CFEERN C[C@@H]1CCC[C@]2(C1)NC(=O)N(c1ccc(C#N)cc1)C2=O ZINC000041036500 174459829 /nfs/dbraw/zinc/45/98/29/174459829.db2.gz VHBLSNWPDVUFPQ-BDJLRTHQSA-N 0 0 283.331 2.563 10 30 CFEERN C=CC[NH2+][C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000041732181 174619896 /nfs/dbraw/zinc/61/98/96/174619896.db2.gz XTWGPUMMHOYEFQ-MRXNPFEDSA-N 0 0 259.349 2.814 10 30 CFEERN C=C(Cl)CN1c2cccc(Cl)c2C(=O)C1=O ZINC000042136178 174639706 /nfs/dbraw/zinc/63/97/06/174639706.db2.gz RGGPUINUZFSYHM-UHFFFAOYSA-N 0 0 256.088 2.622 10 30 CFEERN N#CCCN(c1ccc2cc(N)ccc2n1)C1CC1 ZINC000042531272 174781305 /nfs/dbraw/zinc/78/13/05/174781305.db2.gz GBERZRJXOBXRSI-UHFFFAOYSA-N 0 0 252.321 2.699 10 30 CFEERN Cc1c2c(ccc1Cl)/C(=N/OC1CCC1)C(=O)N2 ZINC000042750332 174866527 /nfs/dbraw/zinc/86/65/27/174866527.db2.gz YMNABJMIOKLMNM-UHFFFAOYSA-N 0 0 264.712 2.874 10 30 CFEERN COc1ccc(Cl)c(Nc2ncc(N)cc2C#N)c1 ZINC000043317081 175005241 /nfs/dbraw/zinc/00/52/41/175005241.db2.gz LSDLAZFBAXXPEY-UHFFFAOYSA-N 0 0 274.711 2.941 10 30 CFEERN Cc1ccc(C#N)c(-n2ccnc2-c2ccc(N)cc2)n1 ZINC000043396253 175036419 /nfs/dbraw/zinc/03/64/19/175036419.db2.gz UVYVRISPMBJQBL-UHFFFAOYSA-N 0 0 275.315 2.697 10 30 CFEERN N#Cc1ccc(Oc2cc(Cl)ncn2)c([N+](=O)[O-])c1 ZINC000043414521 175037926 /nfs/dbraw/zinc/03/79/26/175037926.db2.gz MMSYRUSCETVNLQ-UHFFFAOYSA-N 0 0 276.639 2.702 10 30 CFEERN C=CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C(F)(F)F ZINC000043464616 175052491 /nfs/dbraw/zinc/05/24/91/175052491.db2.gz YXXAYXYSSJXTCF-LLVKDONJSA-N 0 0 297.273 2.561 10 30 CFEERN CC[C@@H](C#N)S(=O)(=O)c1ccc2ccccc2c1 ZINC000043557842 175065000 /nfs/dbraw/zinc/06/50/00/175065000.db2.gz YQRWDBGINRQADJ-ZDUSSCGKSA-N 0 0 259.330 2.916 10 30 CFEERN CC[C@H](C#N)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000043557825 175065273 /nfs/dbraw/zinc/06/52/73/175065273.db2.gz RZBHJAFORKCBRD-GFCCVEGCSA-N 0 0 251.351 2.886 10 30 CFEERN Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1N ZINC000043569854 175068196 /nfs/dbraw/zinc/06/81/96/175068196.db2.gz REAUAMICAWYVEW-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN CCc1ccc(C(=O)NCc2ccccc2C#CCO)s1 ZINC000043640326 175084813 /nfs/dbraw/zinc/08/48/13/175084813.db2.gz LJLNGXVQJBUJIV-UHFFFAOYSA-N 0 0 299.395 2.584 10 30 CFEERN CC(C)N(Cc1ccc(C#CCO)s1)CC(F)(F)F ZINC000043682134 175090972 /nfs/dbraw/zinc/09/09/72/175090972.db2.gz XKAPBEOCTQMCNH-UHFFFAOYSA-N 0 0 291.338 2.865 10 30 CFEERN Cc1nn(Cc2ccc(C#CCCO)s2)c(C)c1C ZINC000043682361 175091250 /nfs/dbraw/zinc/09/12/50/175091250.db2.gz BLPLOBQUUSNGSO-UHFFFAOYSA-N 0 0 274.389 2.652 10 30 CFEERN OCC#Cc1ccc(COc2ccc(F)cc2F)s1 ZINC000043682442 175091301 /nfs/dbraw/zinc/09/13/01/175091301.db2.gz FKAOFWBVBDBJNO-UHFFFAOYSA-N 0 0 280.295 2.949 10 30 CFEERN OCCC#Cc1ccc(CSc2ncccn2)s1 ZINC000043683291 175091444 /nfs/dbraw/zinc/09/14/44/175091444.db2.gz OAZYMDNHZDPYND-UHFFFAOYSA-N 0 0 276.386 2.564 10 30 CFEERN OCC#Cc1csc(CN(Cc2ccco2)C2CC2)c1 ZINC000043698766 175096632 /nfs/dbraw/zinc/09/66/32/175096632.db2.gz JOCMQASLTHFQEE-UHFFFAOYSA-N 0 0 287.384 2.850 10 30 CFEERN CN(C)c1cccc(OCc2cc(C#CCO)cs2)c1 ZINC000043699423 175097237 /nfs/dbraw/zinc/09/72/37/175097237.db2.gz MZAHBQFVXJXHPT-UHFFFAOYSA-N 0 0 287.384 2.737 10 30 CFEERN Cn1ccnc1SCc1cc(C#CCCO)cs1 ZINC000043699511 175097530 /nfs/dbraw/zinc/09/75/30/175097530.db2.gz IACJQKHTNKTBSP-UHFFFAOYSA-N 0 0 278.402 2.508 10 30 CFEERN O=[N+]([O-])c1cccc(OCc2cc(C#CCO)cs2)c1 ZINC000043699383 175097701 /nfs/dbraw/zinc/09/77/01/175097701.db2.gz OWMNWLSFKPWHGU-UHFFFAOYSA-N 0 0 289.312 2.579 10 30 CFEERN C=CCSCC(=O)NCCc1c[nH]c2ccccc12 ZINC000044277390 175158614 /nfs/dbraw/zinc/15/86/14/175158614.db2.gz QJWIREHSLJFJIC-UHFFFAOYSA-N 0 0 274.389 2.746 10 30 CFEERN CCc1c(N)c(C#N)sc1-c1ccc([N+](=O)[O-])o1 ZINC000044273774 175158879 /nfs/dbraw/zinc/15/88/79/175158879.db2.gz KRRBOINUFIJCHO-UHFFFAOYSA-N 0 0 263.278 2.933 10 30 CFEERN COc1cccc(OC)c1-c1cc(N)c(C#N)s1 ZINC000044273303 175158946 /nfs/dbraw/zinc/15/89/46/175158946.db2.gz UASBGXVQYOSKSX-UHFFFAOYSA-N 0 0 260.318 2.886 10 30 CFEERN Cc1nc(CN(C)c2ccc(C#N)cc2N)cs1 ZINC000044609128 175215906 /nfs/dbraw/zinc/21/59/06/175215906.db2.gz DYLHMNUETBVLBM-UHFFFAOYSA-N 0 0 258.350 2.542 10 30 CFEERN Cc1cc(N)ccc1C(=O)Nc1sccc1C#N ZINC000044748594 175243994 /nfs/dbraw/zinc/24/39/94/175243994.db2.gz PTVKPGHPLHITJI-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN CN(CC(C)(C)C)C(=O)c1cc(F)ccc1C#CCCO ZINC000045091796 175305843 /nfs/dbraw/zinc/30/58/43/175305843.db2.gz IMRJHKIWFHYNFP-UHFFFAOYSA-N 0 0 291.366 2.678 10 30 CFEERN CC[C@@H](NC(=O)c1cc(F)ccc1C#CCCO)C(C)C ZINC000049148491 175465358 /nfs/dbraw/zinc/46/53/58/175465358.db2.gz ZVPUSXJECFEENG-MRXNPFEDSA-N 0 0 291.366 2.724 10 30 CFEERN O=C(NCc1ccccc1C#CCO)c1ccc(Cl)cc1 ZINC000049587993 175489954 /nfs/dbraw/zinc/48/99/54/175489954.db2.gz WVFLXCMIRCTIFF-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN COc1ccc(OCc2ccccc2C#CCO)cc1 ZINC000049620542 175494961 /nfs/dbraw/zinc/49/49/61/175494961.db2.gz LAWIYXXLMDMIJJ-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN CC[C@H](C)OCc1ccc(F)cc1C#CCCO ZINC000049622046 175495323 /nfs/dbraw/zinc/49/53/23/175495323.db2.gz LTJIKFWJJZJYKM-LBPRGKRZSA-N 0 0 250.313 2.875 10 30 CFEERN CCCCCOCc1ccc(F)c(C#CCO)c1 ZINC000049621914 175495335 /nfs/dbraw/zinc/49/53/35/175495335.db2.gz DLFNRWFPBKFRAF-UHFFFAOYSA-N 0 0 250.313 2.876 10 30 CFEERN CN(C)c1cccc(OCc2ccc(C#CCO)cc2)c1 ZINC000049622136 175495454 /nfs/dbraw/zinc/49/54/54/175495454.db2.gz 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253.305 2.590 10 30 CFEERN C=CC[C@]12C[C@H]1CN(Cc1ccc(OC)cc1)C2=O ZINC000575141564 335072273 /nfs/dbraw/zinc/07/22/73/335072273.db2.gz XGFZKTCKZIWOET-BBRMVZONSA-N 0 0 257.333 2.620 10 30 CFEERN O=C(Nc1cc(C#CCO)ccc1Cl)[C@@H]1CCCS1 ZINC000070438028 175932924 /nfs/dbraw/zinc/93/29/24/175932924.db2.gz HUXGDYLGVRWNDP-ZDUSSCGKSA-N 0 0 295.791 2.518 10 30 CFEERN Cc1cc(C)c(C#N)c(-n2cc(C(F)(F)F)cn2)n1 ZINC000070466599 175946572 /nfs/dbraw/zinc/94/65/72/175946572.db2.gz ZAGGMSZHXVGGMF-UHFFFAOYSA-N 0 0 266.226 2.775 10 30 CFEERN CC[C@H](C)SCc1ccc(F)cc1/C(N)=N/O ZINC000071267452 176100861 /nfs/dbraw/zinc/10/08/61/176100861.db2.gz GBMFVOXFRBJKOM-QMMMGPOBSA-N 0 0 256.346 2.952 10 30 CFEERN COc1cccc2c1C(=O)N(c1ccccc1)C2C#N ZINC000071678643 176243694 /nfs/dbraw/zinc/24/36/94/176243694.db2.gz MEIGEBRJNZCCRK-ZDUSSCGKSA-N 0 0 264.284 2.920 10 30 CFEERN Cc1nc(C)c(CNC(=O)c2ncoc2[C@@H]2CCCO2)o1 ZINC000329159064 227332973 /nfs/dbraw/zinc/33/29/73/227332973.db2.gz DRCYXTGCBNFHPS-JTQLQIEISA-N 0 0 291.307 2.636 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/nfs/dbraw/zinc/99/60/04/525996004.db2.gz FPCNPNDWTTWPBV-STQMWFEESA-N 0 0 268.316 2.546 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1cc(N)c(F)cc1F ZINC000050428775 526005688 /nfs/dbraw/zinc/00/56/88/526005688.db2.gz ZYIAELRWUZOZCM-UHFFFAOYSA-N 0 0 287.269 2.979 10 30 CFEERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)o1 ZINC000235540209 526161013 /nfs/dbraw/zinc/16/10/13/526161013.db2.gz AWTRSBABIQZYGB-VIFPVBQESA-N 0 0 272.264 2.936 10 30 CFEERN Cc1cnc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])o1 ZINC000226546952 526161400 /nfs/dbraw/zinc/16/14/00/526161400.db2.gz AFPXUARIDCRKTL-VIFPVBQESA-N 0 0 272.264 2.936 10 30 CFEERN Cc1ccc2[nH]c(SC[C@@H](C#N)NC(C)C)nc2c1 ZINC000061440767 526255338 /nfs/dbraw/zinc/25/53/38/526255338.db2.gz RFOOKFUWEXRVBS-LLVKDONJSA-N 0 0 274.393 2.854 10 30 CFEERN N#CCN(CC#N)CC(=O)c1cc(Cl)ccc1Cl ZINC000049537452 526470255 /nfs/dbraw/zinc/47/02/55/526470255.db2.gz GFTLVLZIOKOPNN-UHFFFAOYSA-N 0 0 282.130 2.525 10 30 CFEERN N#C[C@@H](C(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000061614928 526491615 /nfs/dbraw/zinc/49/16/15/526491615.db2.gz YPUMUZXTQDCKGQ-CQSZACIVSA-N 0 0 254.333 2.599 10 30 CFEERN N#Cc1c(F)cccc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518361 526525246 /nfs/dbraw/zinc/52/52/46/526525246.db2.gz JDCQABZGSWOYQY-UHFFFAOYSA-N 0 0 284.081 2.933 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)c1cccc(F)c1N ZINC000054207941 526525272 /nfs/dbraw/zinc/52/52/72/526525272.db2.gz QHHCJGAANBTNDW-UHFFFAOYSA-N 0 0 273.242 2.671 10 30 CFEERN N#Cc1cc(Cl)ccc1NC1(CO)CCCC1 ZINC000053070876 526554611 /nfs/dbraw/zinc/55/46/11/526554611.db2.gz RJUWMWUECUOIMI-UHFFFAOYSA-N 0 0 250.729 2.929 10 30 CFEERN N#Cc1cc(N)ccc1NC[C@H]1Cc2ccccc2O1 ZINC000051086734 526563186 /nfs/dbraw/zinc/56/31/86/526563186.db2.gz UABHVRXJTHPVIA-CQSZACIVSA-N 0 0 265.316 2.556 10 30 CFEERN N#Cc1cc(NC(=O)c2cccc(F)c2N)ccc1F ZINC000054212966 526570364 /nfs/dbraw/zinc/57/03/64/526570364.db2.gz DTEDFBFKGCENFC-UHFFFAOYSA-N 0 0 273.242 2.671 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000158667218 526640823 /nfs/dbraw/zinc/64/08/23/526640823.db2.gz JBZHBAGPMCYDQW-JKSUJKDBSA-N 0 0 274.339 2.841 10 30 CFEERN Cc1nc(C(=O)Nc2cc(C#N)ccc2C)cs1 ZINC000049495899 526655661 /nfs/dbraw/zinc/65/56/61/526655661.db2.gz RADTUVYJCKHFBB-UHFFFAOYSA-N 0 0 257.318 2.884 10 30 CFEERN N#Cc1ccccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454764 526744605 /nfs/dbraw/zinc/74/46/05/526744605.db2.gz FTRSWUTUIRGKQF-UHFFFAOYSA-N 0 0 275.655 2.653 10 30 CFEERN Cc1nc(C)c([C@H](C)Nc2ncc(N)cc2C#N)s1 ZINC000049533770 526756173 /nfs/dbraw/zinc/75/61/73/526756173.db2.gz URYPUZCGMMDAEI-QMMMGPOBSA-N 0 0 273.365 2.782 10 30 CFEERN N#Cc1cnc2c(F)cc(Br)cc2c1N ZINC000050842471 526776228 /nfs/dbraw/zinc/77/62/28/526776228.db2.gz CMVIQEFOJKBQSW-UHFFFAOYSA-N 0 0 266.073 2.590 10 30 CFEERN N#Cc1cnc2ccccc2c1OCC1CCOCC1 ZINC000052153975 526777451 /nfs/dbraw/zinc/77/74/51/526777451.db2.gz ZBTCWWQUITTYDO-UHFFFAOYSA-N 0 0 268.316 2.912 10 30 CFEERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccc(C#N)c2)cn1 ZINC000171448837 527317390 /nfs/dbraw/zinc/31/73/90/527317390.db2.gz LYAYGQBCASBLKD-OAHLLOKOSA-N 0 0 295.346 2.661 10 30 CFEERN OCC#Cc1ccc(COCc2ccccc2F)s1 ZINC000069285326 527519889 /nfs/dbraw/zinc/51/98/89/527519889.db2.gz DHYYEOMZCXFTGX-UHFFFAOYSA-N 0 0 276.332 2.948 10 30 CFEERN CC(C)[C@H](C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000343640994 528904041 /nfs/dbraw/zinc/90/40/41/528904041.db2.gz FFSFAQRSPQYTBX-MFKMUULPSA-N 0 0 280.755 2.772 10 30 CFEERN CC(C)C(=O)SCC[C@H](S)CCCCC(N)=O ZINC000004654635 571687166 /nfs/dbraw/zinc/68/71/66/571687166.db2.gz UEFURMXXHJCLJP-SNVBAGLBSA-N 0 0 277.455 2.636 10 30 endogenous,in-man CFEERN N#Cc1sc(N[C@@H]2CCC[C@H]2C#N)nc1Cl ZINC000309504250 618891256 /nfs/dbraw/zinc/89/12/56/618891256.db2.gz MOJMPQWBJDDYAJ-NKWVEPMBSA-N 0 0 252.730 2.772 10 30 CFEERN COc1cccc(/C=N\[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000254952839 617695931 /nfs/dbraw/zinc/69/59/31/617695931.db2.gz UTKAXUHDLZESIC-XBTXGSBDSA-N 0 0 279.336 2.550 10 30 CFEERN N#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000176058771 617741203 /nfs/dbraw/zinc/74/12/03/617741203.db2.gz OYGNUUCMWWUESD-GYSYKLTISA-N 0 0 277.270 2.914 10 30 CFEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccn1 ZINC000176129914 617851047 /nfs/dbraw/zinc/85/10/47/617851047.db2.gz BUOHZZMDKVAIOU-NFAWXSAZSA-N 0 0 255.317 2.735 10 30 CFEERN COc1ccc(C(=O)N(O)Cc2ccccc2)cc1 ZINC000090531625 617923193 /nfs/dbraw/zinc/92/31/93/617923193.db2.gz ISGDFACREJRXAT-UHFFFAOYSA-N 0 0 257.289 2.727 10 30 CFEERN CCCCCCCCC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000178693379 618113518 /nfs/dbraw/zinc/11/35/18/618113518.db2.gz ZVGXWZUYWASOER-CQSZACIVSA-N 0 0 270.417 2.624 10 30 CFEERN C#CCOCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000161557816 618134823 /nfs/dbraw/zinc/13/48/23/618134823.db2.gz PALWPEVESNFWIY-XJKSGUPXSA-N 0 0 271.360 2.781 10 30 CFEERN C=CCN(C)C(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000154232452 618135633 /nfs/dbraw/zinc/13/56/33/618135633.db2.gz CRTALSJLIXHEQD-INIZCTEOSA-N 0 0 296.411 2.811 10 30 CFEERN CCCCCCCCCN1CCS(=O)(=O)[C@@H](C)C1 ZINC000192033120 618420210 /nfs/dbraw/zinc/42/02/10/618420210.db2.gz MKVYDQVCSZZZGX-AWEZNQCLSA-N 0 0 275.458 2.856 10 30 CFEERN C[C@@H]1CN(c2nc3ccccc3cc2C#N)C[C@@H](C)O1 ZINC000070217983 625285328 /nfs/dbraw/zinc/28/53/28/625285328.db2.gz WHAUBSLIMCLCLI-VXGBXAGGSA-N 0 0 267.332 2.720 10 30 CFEERN CC(=O)[C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071385680 625509502 /nfs/dbraw/zinc/50/95/02/625509502.db2.gz NBRYYSBNNGFQLJ-AWEZNQCLSA-N 0 0 279.343 2.912 10 30 CFEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000313467410 623689019 /nfs/dbraw/zinc/68/90/19/623689019.db2.gz PDBZTVVLVDHZIA-KBPBESRZSA-N 0 0 258.321 2.506 10 30 CFEERN C=CCOc1ccccc1C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000175263896 624942622 /nfs/dbraw/zinc/94/26/22/624942622.db2.gz KWOJTEARACJSNP-STQMWFEESA-N 0 0 276.332 2.833 10 30 CFEERN O=S(=O)(/C=C/c1ccccc1)OCC(F)(F)C(F)F ZINC000068037932 624971001 /nfs/dbraw/zinc/97/10/01/624971001.db2.gz SZQKIALUIJIRQJ-VOTSOKGWSA-N 0 0 298.257 2.904 10 30 CFEERN C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC1 ZINC000180073439 624993232 /nfs/dbraw/zinc/99/32/32/624993232.db2.gz RNCSSJJRYKGVEZ-TZMCWYRMSA-N 0 0 285.343 2.824 10 30 CFEERN C=CCn1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000757565813 630948217 /nfs/dbraw/zinc/94/82/17/630948217.db2.gz BOHVQYJHBWAGTO-UHFFFAOYSA-N 0 0 255.583 2.650 10 30 CFEERN C[C@@H](OC(=O)c1ccccc1OCC#N)C1CCOCC1 ZINC000156145736 650045182 /nfs/dbraw/zinc/04/51/82/650045182.db2.gz SRGKVKNNXYHUCA-GFCCVEGCSA-N 0 0 289.331 2.561 10 30 CFEERN C#Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000106428572 632760993 /nfs/dbraw/zinc/76/09/93/632760993.db2.gz JQNAONVKMADAMW-GOSISDBHSA-N 0 0 292.382 2.779 10 30 CFEERN N#C[C@H](C(=O)Cc1cccc(F)c1)c1ccccn1 ZINC000046705805 650221194 /nfs/dbraw/zinc/22/11/94/650221194.db2.gz HHIWPHRCARBSNF-ZDUSSCGKSA-N 0 0 254.264 2.640 10 30 CFEERN CCCCCCCS(=O)(=O)Cc1nccn1CC ZINC000119217190 637533331 /nfs/dbraw/zinc/53/33/31/637533331.db2.gz UROVYMFSZZAYPU-UHFFFAOYSA-N 0 0 272.414 2.788 10 30 CFEERN C=CCOc1cc(OC)ccc1C(=O)O[C@@H](C)COCC ZINC000190769320 650457650 /nfs/dbraw/zinc/45/76/50/650457650.db2.gz XWRPIQCHCBDPMF-LBPRGKRZSA-N 0 0 294.347 2.842 10 30 CFEERN C[C@H](OC(=O)/C=C/c1ccccc1C#N)[C@H]1CCOC1 ZINC000079178008 650568969 /nfs/dbraw/zinc/56/89/69/650568969.db2.gz ZVQMYLJWSPBVHS-MFTITKQISA-N 0 0 271.316 2.540 10 30 CFEERN CC(C)[C@@H](C#N)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000195528405 650756254 /nfs/dbraw/zinc/75/62/54/650756254.db2.gz JVLHVWAIBRJNBJ-OAHLLOKOSA-N 0 0 257.333 2.809 10 30 CFEERN C[C@H](C#N)NC(=O)CCSc1nc2ccccc2s1 ZINC000125636127 642702544 /nfs/dbraw/zinc/70/25/44/642702544.db2.gz JJHMNPNVCFIFDD-SECBINFHSA-N 0 0 291.401 2.807 10 30 CFEERN C[C@H]1CC[C@H](C(=O)OCC#Cc2ccc(Cl)cc2)O1 ZINC000126116809 642978282 /nfs/dbraw/zinc/97/82/82/642978282.db2.gz NSGAFDWWUCJYHD-SMDDNHRTSA-N 0 0 278.735 2.802 10 30 CFEERN N#C[C@H](C(=O)[C@H]1C[C@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000246110833 650853506 /nfs/dbraw/zinc/85/35/06/650853506.db2.gz JSFQCSJLYDPQAP-SDDRHHMPSA-N 0 0 265.316 2.785 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)O1 ZINC000248124658 650923582 /nfs/dbraw/zinc/92/35/82/650923582.db2.gz FQUHJVVHKWZUEA-KYOSRNDESA-N 0 0 291.322 2.619 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@+]1(C)[O-] ZINC000248086899 717164222 /nfs/dbraw/zinc/16/42/22/717164222.db2.gz WQTJWODFSMCWCC-DYVFJYSZSA-N 0 0 262.353 2.739 10 30 CFEERN N#CCOc1nn(Cc2ccccc2)c2ccccc21 ZINC000095748889 185025323 /nfs/dbraw/zinc/02/53/23/185025323.db2.gz SVZITIRKVAYMBD-UHFFFAOYSA-N 0 0 263.300 2.987 10 30 CFEERN N#Cc1c(Cl)nc2c(Br)cccn12 ZINC000082695347 178191731 /nfs/dbraw/zinc/19/17/31/178191731.db2.gz OFKIYHQJLGSHHX-UHFFFAOYSA-N 0 0 256.490 2.622 10 30 CFEERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000182007481 282106916 /nfs/dbraw/zinc/10/69/16/282106916.db2.gz QIKABFNLEACCFH-IAQYHMDHSA-N 0 0 281.363 2.644 10 30 CFEERN Fc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1 ZINC000083315119 178380570 /nfs/dbraw/zinc/38/05/70/178380570.db2.gz CYYVTPLJPVEQCH-WQRHYEAKSA-N 0 0 287.363 2.824 10 30 CFEERN C=C(C)CN1c2cc(NC(=O)CC)ccc2O[C@@H](C)C1=O ZINC000012295892 136378943 /nfs/dbraw/zinc/37/89/43/136378943.db2.gz TUYDIFIZJFIBBU-NSHDSACASA-N 0 0 288.347 2.725 10 30 CFEERN CN(C)[C@H](C#N)c1ccc(Br)cc1F ZINC000037354710 346328893 /nfs/dbraw/zinc/32/88/93/346328893.db2.gz DYVBKEQFBNSSSX-SNVBAGLBSA-N 0 0 257.106 2.714 10 30 CFEERN COc1ccc(Br)c(C(=O)[C@@H](C)C#N)c1 ZINC000036931596 346324796 /nfs/dbraw/zinc/32/47/96/346324796.db2.gz XIBHHBZAZKSSCZ-ZETCQYMHSA-N 0 0 268.110 2.800 10 30 CFEERN N#CCc1ccc(CCOc2ccc(C=O)cc2)nc1 ZINC000038978835 346340488 /nfs/dbraw/zinc/34/04/88/346340488.db2.gz AZJLQARVHOXCMF-UHFFFAOYSA-N 0 0 266.300 2.582 10 30 CFEERN CCC(C#N)(CC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000051987856 346509534 /nfs/dbraw/zinc/50/95/34/346509534.db2.gz RZDYBOPCZRTUEJ-CYBMUJFWSA-N 0 0 272.348 2.956 10 30 CFEERN COC(=O)[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054828954 346576971 /nfs/dbraw/zinc/57/69/71/346576971.db2.gz CFLAZDARJWETEG-QLFBSQMISA-N 0 0 272.348 2.573 10 30 CFEERN N#C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825513 346577300 /nfs/dbraw/zinc/57/73/00/346577300.db2.gz HDNXGGJPENHPAZ-TZMCWYRMSA-N 0 0 259.309 2.767 10 30 CFEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccc2c1OCO2 ZINC000054826172 346577317 /nfs/dbraw/zinc/57/73/17/346577317.db2.gz GDBNAHCMYOLDGP-AAEUAGOBSA-N 0 0 258.321 2.587 10 30 CFEERN N#C[C@H]1CCCC[C@H]1NCc1cccc2c1OCO2 ZINC000054826169 346577337 /nfs/dbraw/zinc/57/73/37/346577337.db2.gz GDBNAHCMYOLDGP-DGCLKSJQSA-N 0 0 258.321 2.587 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1c[nH]nc1-c1cccs1 ZINC000061892391 346685502 /nfs/dbraw/zinc/68/55/02/346685502.db2.gz XKXDCGOWXRYEFH-PWSUYJOCSA-N 0 0 272.377 2.920 10 30 CFEERN CC[C@H](C)[C@@H](OS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000113987779 347769884 /nfs/dbraw/zinc/76/98/84/347769884.db2.gz OGWQRWJFHPYUII-GXFFZTMASA-N 0 0 267.350 2.622 10 30 CFEERN N#Cc1cc(CO)ccc1Oc1cncc(Cl)c1 ZINC000114750375 347774797 /nfs/dbraw/zinc/77/47/97/347774797.db2.gz BQSVBZGKANYSPD-UHFFFAOYSA-N 0 0 260.680 2.891 10 30 CFEERN N#Cc1ccc(-c2nnc(-c3ccc(F)nc3)o2)s1 ZINC000117864913 347795060 /nfs/dbraw/zinc/79/50/60/347795060.db2.gz MVVZSDAGMXTHMR-UHFFFAOYSA-N 0 0 272.264 2.871 10 30 CFEERN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)nc1 ZINC000116038801 347784372 /nfs/dbraw/zinc/78/43/72/347784372.db2.gz JWPNFOIEVNHBPL-ZDUSSCGKSA-N 0 0 267.288 2.524 10 30 CFEERN C#CC[C@H](NN)c1cc(Br)ccc1Cl ZINC000126634014 347836378 /nfs/dbraw/zinc/83/63/78/347836378.db2.gz LDIDQBRDIKDZTP-JTQLQIEISA-N 0 0 273.561 2.630 10 30 CFEERN C#C[C@H](NC)c1c(F)cc(Br)cc1F ZINC000130254215 347868826 /nfs/dbraw/zinc/86/88/26/347868826.db2.gz LKMAERBIINTAOF-VIFPVBQESA-N 0 0 260.081 2.621 10 30 CFEERN C#C[C@H](NC)c1cc(Br)ccc1Cl ZINC000130301198 347869534 /nfs/dbraw/zinc/86/95/34/347869534.db2.gz ULHVMXQTLRXZBQ-JTQLQIEISA-N 0 0 258.546 2.996 10 30 CFEERN CCCCCCCOCC[C@@H]([NH2+]C1CC1)C(=O)[O-] ZINC000103785911 185857757 /nfs/dbraw/zinc/85/77/57/185857757.db2.gz HVEURJNMUAKQOV-CYBMUJFWSA-N 0 0 257.374 2.569 10 30 CFEERN Fc1ccc(Br)c(OCCS)c1 ZINC000133390108 347891803 /nfs/dbraw/zinc/89/18/03/347891803.db2.gz XQIUWHQEWHXEAM-UHFFFAOYSA-N 0 0 251.120 2.897 10 30 CFEERN C#CCOc1cc(Br)ccc1C(C)=O ZINC000131976588 347882281 /nfs/dbraw/zinc/88/22/81/347882281.db2.gz BHGGVEPPNZEKHF-UHFFFAOYSA-N 0 0 253.095 2.664 10 30 CFEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1C ZINC000140470140 347926670 /nfs/dbraw/zinc/92/66/70/347926670.db2.gz VSHWZTMLBWDWCA-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN N#Cc1cccc(COCCOc2ccc(CCO)cc2)c1 ZINC000141273907 347930797 /nfs/dbraw/zinc/93/07/97/347930797.db2.gz QYQKSCFMFXQUAA-UHFFFAOYSA-N 0 0 297.354 2.689 10 30 CFEERN C=CCOCc1ccccc1I ZINC000135991034 347908645 /nfs/dbraw/zinc/90/86/45/347908645.db2.gz VWBFRHYIWXGHML-UHFFFAOYSA-N 0 0 274.101 2.994 10 30 CFEERN CC(C)COC(=O)NCc1ccc(C#N)cc1F ZINC000103953719 185867458 /nfs/dbraw/zinc/86/74/58/185867458.db2.gz ZAWFAOKJHOFHSE-UHFFFAOYSA-N 0 0 250.273 2.580 10 30 CFEERN C=C[C@H](NN)c1ccc(Br)c(Cl)c1 ZINC000158437626 348006830 /nfs/dbraw/zinc/00/68/30/348006830.db2.gz AXKRUGUPPLUHMH-VIFPVBQESA-N 0 0 261.550 2.793 10 30 CFEERN CCN[C@H](C#N)c1ccc(Br)c(F)c1 ZINC000161427611 348024694 /nfs/dbraw/zinc/02/46/94/348024694.db2.gz TXMXLDKHYWCUDG-SNVBAGLBSA-N 0 0 257.106 2.762 10 30 CFEERN CC#CCCNc1cc(C)c(Br)cn1 ZINC000163946315 348036253 /nfs/dbraw/zinc/03/62/53/348036253.db2.gz RBQREAIHXLNOPY-UHFFFAOYSA-N 0 0 253.143 2.978 10 30 CFEERN CS(=O)(=O)OCc1ccc(Cl)cc1Br ZINC000166228700 348041768 /nfs/dbraw/zinc/04/17/68/348041768.db2.gz NXVPKBPOTOOTKP-UHFFFAOYSA-N 0 0 299.573 2.579 10 30 CFEERN C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000086814181 179342328 /nfs/dbraw/zinc/34/23/28/179342328.db2.gz XVTRWAUQHMRKFH-IUODEOHRSA-N 0 0 272.348 2.948 10 30 CFEERN C=C(Br)CNc1ncc(Cl)cc1N ZINC000168182485 348047759 /nfs/dbraw/zinc/04/77/59/348047759.db2.gz ORFHMNZZJYMHAZ-UHFFFAOYSA-N 0 0 262.538 2.638 10 30 CFEERN O=C(c1csc(Br)c1)C1=CCCO1 ZINC000168364787 348047943 /nfs/dbraw/zinc/04/79/43/348047943.db2.gz UVRYWWPCKZSCMM-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN O=CCCn1ccc2c1cccc2Br ZINC000168196376 348048351 /nfs/dbraw/zinc/04/83/51/348048351.db2.gz XAOMTCTXKAKUAK-UHFFFAOYSA-N 0 0 252.111 2.993 10 30 CFEERN C[C@]1(/[N+]([O-])=C/c2ccccc2F)CCCCC1=O ZINC000225430447 348177541 /nfs/dbraw/zinc/17/75/41/348177541.db2.gz XEAANIXUZRDTGX-FBKCMUNRSA-N 0 0 250.293 2.548 10 30 CFEERN N#CC1(c2cccc(OC(F)(F)F)c2)CC2(C1)OCCO2 ZINC000218443514 348166343 /nfs/dbraw/zinc/16/63/43/348166343.db2.gz ZBTJAVDSROYOSP-UHFFFAOYSA-N 0 0 299.248 2.883 10 30 CFEERN N#CC1(c2cccc(OC(F)(F)F)c2)CC(=O)C1 ZINC000218465127 348166694 /nfs/dbraw/zinc/16/66/94/348166694.db2.gz CCTAKCQLQSIXHZ-UHFFFAOYSA-N 0 0 255.195 2.709 10 30 CFEERN CC[C@](C)(/C(N)=N/O)c1ccc(Br)cc1 ZINC000220860482 348170619 /nfs/dbraw/zinc/17/06/19/348170619.db2.gz JATQCBMCLUUEDX-NSHDSACASA-N 0 0 271.158 2.863 10 30 CFEERN C#CCCC(=O)c1ccc(N)c(Br)c1 ZINC000226515561 348183288 /nfs/dbraw/zinc/18/32/88/348183288.db2.gz GLXZVPKSTZZWIJ-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN C=C(Br)CNc1nsnc1Cl ZINC000229316976 348200789 /nfs/dbraw/zinc/20/07/89/348200789.db2.gz WWOVNLAWLFSQRS-UHFFFAOYSA-N 0 0 254.540 2.512 10 30 CFEERN Cc1cc(F)c(Br)cc1NC(=O)CS ZINC000232095103 348209697 /nfs/dbraw/zinc/20/96/97/348209697.db2.gz RWUVKSUZQCFNAA-UHFFFAOYSA-N 0 0 278.146 2.765 10 30 CFEERN CC(C)(C=O)c1ccccc1I ZINC000238157370 348244585 /nfs/dbraw/zinc/24/45/85/348244585.db2.gz PQROZPWMJDUVNV-UHFFFAOYSA-N 0 0 274.101 2.768 10 30 CFEERN N#Cc1ncc(Br)cc1OC(F)(F)F ZINC000238525358 348246461 /nfs/dbraw/zinc/24/64/61/348246461.db2.gz LZFMSFWCSOEOHV-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN Cc1cccc(I)c1CC#N ZINC000238527514 348246558 /nfs/dbraw/zinc/24/65/58/348246558.db2.gz HQADAYJJFLATAE-UHFFFAOYSA-N 0 0 257.074 2.666 10 30 CFEERN C#CC[C@](C)(O)Cc1ccc(Br)cc1 ZINC000235716369 348229508 /nfs/dbraw/zinc/22/95/08/348229508.db2.gz RECKZUQGDXCGLC-LBPRGKRZSA-N 0 0 253.139 2.766 10 30 CFEERN C=C(Br)CNc1ncc(N)cc1Cl ZINC000236367583 348232873 /nfs/dbraw/zinc/23/28/73/348232873.db2.gz PQKBMPMJLXUTDA-UHFFFAOYSA-N 0 0 262.538 2.638 10 30 CFEERN N/C(=N/O)c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000236343772 348233081 /nfs/dbraw/zinc/23/30/81/348233081.db2.gz CPBRJVQHXRJCNJ-UHFFFAOYSA-N 0 0 265.316 2.784 10 30 CFEERN COc1ccc(C(C)=NNC(=S)NCC(C)C)cc1 ZINC000256756720 348305991 /nfs/dbraw/zinc/30/59/91/348305991.db2.gz KYIDEEDBZVOOMI-UHFFFAOYSA-N 0 0 279.409 2.539 10 30 CFEERN CC(C)Oc1cc(N(C)C[C@@H](C)C#N)c(N)cc1F ZINC000104136468 185905836 /nfs/dbraw/zinc/90/58/36/185905836.db2.gz SLYYCVXKLXHSPO-JTQLQIEISA-N 0 0 265.332 2.791 10 30 CFEERN COC(=O)c1cc(Cl)cc(C#N)c1Br ZINC000306331733 348386445 /nfs/dbraw/zinc/38/64/45/348386445.db2.gz PRFDYIWSNDPWDV-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN N#Cc1cncc(C(F)(F)F)c1Br ZINC000306339529 348386771 /nfs/dbraw/zinc/38/67/71/348386771.db2.gz YESBVPCQEBAASH-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN CCC[C@@H](C)C(=O)NCc1ccc(C#N)cc1OC ZINC000725269828 539627318 /nfs/dbraw/zinc/62/73/18/539627318.db2.gz ZRZFODVNMRXSAW-LLVKDONJSA-N 0 0 260.337 2.619 10 30 CFEERN N#Cc1cc(C(F)(F)F)cc(Br)n1 ZINC000306825236 348393328 /nfs/dbraw/zinc/39/33/28/348393328.db2.gz WKUVXENUJDVDHS-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN C/C(=N\O)c1ccc(C)c(I)c1 ZINC000307200121 348397100 /nfs/dbraw/zinc/39/71/00/348397100.db2.gz BUVNYPLKJRERGM-YRNVUSSQSA-N 0 0 275.089 2.798 10 30 CFEERN N#CCc1cc(F)c([N+](=O)[O-])c(Br)c1 ZINC000307259013 348397771 /nfs/dbraw/zinc/39/77/71/348397771.db2.gz JVDNAKZLRGCZSO-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN N#Cc1cc(C(F)(F)F)c(Br)cc1N ZINC000307307339 348398193 /nfs/dbraw/zinc/39/81/93/348398193.db2.gz DOQHUALORMIQKR-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN CCc1nc(C#N)cc(N[C@@H](C)COCc2ccccc2)n1 ZINC000308166344 348402327 /nfs/dbraw/zinc/40/23/27/348402327.db2.gz JFBZOVPVAMRWBE-ZDUSSCGKSA-N 0 0 296.374 2.928 10 30 CFEERN CC(C)(C)[S@](=O)/N=C/c1ccnc(Br)c1 ZINC000308675232 348404520 /nfs/dbraw/zinc/40/45/20/348404520.db2.gz HUZVSMBFTZNSPZ-COSNYCCFSA-N 0 0 289.198 2.725 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(N)cc1Br ZINC000396040951 348552551 /nfs/dbraw/zinc/55/25/51/348552551.db2.gz NQLAUTYMAPMSPM-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN N#Cc1cc(Br)c(N)cc1OC(F)(F)F ZINC000396044578 348553209 /nfs/dbraw/zinc/55/32/09/348553209.db2.gz YPWYSGMODVULBZ-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(N)=O ZINC000514269397 348639995 /nfs/dbraw/zinc/63/99/95/348639995.db2.gz DLRNNJZAWWBCFR-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#Cc1n[nH]c2c1c(Br)ccc2Cl ZINC000585672685 348739313 /nfs/dbraw/zinc/73/93/13/348739313.db2.gz OVOICSIKCGFNDE-UHFFFAOYSA-N 0 0 256.490 2.850 10 30 CFEERN C#CCON(Cc1ccccc1)C(=O)c1ccccc1 ZINC000584592105 348682336 /nfs/dbraw/zinc/68/23/36/348682336.db2.gz OFOCADGIQMNAPI-UHFFFAOYSA-N 0 0 265.312 2.894 10 30 CFEERN COc1ccc(C#N)c(-c2cc(OC)ncc2OC)c1 ZINC000584598799 348684975 /nfs/dbraw/zinc/68/49/75/348684975.db2.gz XHBLFRNICBEAFD-UHFFFAOYSA-N 0 0 270.288 2.646 10 30 CFEERN CC[C@H](COc1ccc(Cl)cc1)N=C(C)NC#N ZINC000584601630 348685731 /nfs/dbraw/zinc/68/57/31/348685731.db2.gz FYJPGCOJZUZVIT-GFCCVEGCSA-N 0 0 265.744 2.986 10 30 CFEERN C=CC[C@@H](Cc1ccccc1OC)NC(=O)OCC ZINC000584600855 348685758 /nfs/dbraw/zinc/68/57/58/348685758.db2.gz HFUJGRULKZIJIC-ZDUSSCGKSA-N 0 0 263.337 2.929 10 30 CFEERN NC(=S)N/N=C/c1ccc(Oc2ccccc2F)cc1 ZINC000584605606 348687706 /nfs/dbraw/zinc/68/77/06/348687706.db2.gz YJBWJYRJBWXBQY-RQZCQDPDSA-N 0 0 289.335 2.785 10 30 CFEERN O/N=C1\CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000584605966 348688197 /nfs/dbraw/zinc/68/81/97/348688197.db2.gz TWHWHHQYZPHSHT-NGWPFTMJSA-N 0 0 255.321 2.691 10 30 CFEERN Cc1c2cc(C#N)cc(-c3ccnc(F)c3)c2[nH]c1C(N)=O ZINC000584618829 348691510 /nfs/dbraw/zinc/69/15/10/348691510.db2.gz SEYXMOLTIXLSPJ-UHFFFAOYSA-N 0 0 294.289 2.648 10 30 CFEERN N#CCSc1nnc(-c2cc3ccccc3[nH]2)o1 ZINC000584624670 348693551 /nfs/dbraw/zinc/69/35/51/348693551.db2.gz DJWORPLOGZZLIB-UHFFFAOYSA-N 0 0 256.290 2.834 10 30 CFEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1ccc([N+](=O)[O-])cc1 ZINC000584633364 348696485 /nfs/dbraw/zinc/69/64/85/348696485.db2.gz GTLBDWPVAUXXFW-HOTGVXAUSA-N 0 0 297.314 2.763 10 30 CFEERN N#Cc1cc2cc(Cl)ccc2n1-c1ncccn1 ZINC000584638344 348698914 /nfs/dbraw/zinc/69/89/14/348698914.db2.gz PKZMXGRZRHOBPZ-UHFFFAOYSA-N 0 0 254.680 2.946 10 30 CFEERN N#C[C@H](c1c(F)cccc1F)[C@@H](CCO)c1cnco1 ZINC000584638668 348699741 /nfs/dbraw/zinc/69/97/41/348699741.db2.gz STOQSEGOKIZYRI-ZJUUUORDSA-N 0 0 278.258 2.726 10 30 CFEERN C[C@H]1CC(=O)CN(c2ccc(C#N)c3ncccc23)C1 ZINC000584640676 348700242 /nfs/dbraw/zinc/70/02/42/348700242.db2.gz NZWHZJRPGUTRNI-NSHDSACASA-N 0 0 265.316 2.522 10 30 CFEERN C=CCOc1ccc(O[C@@H]2CCCCO2)cc1O ZINC000584651029 348702112 /nfs/dbraw/zinc/70/21/12/348702112.db2.gz QDQFIXKEAVWJJP-CQSZACIVSA-N 0 0 250.294 2.862 10 30 CFEERN N#C[C@H]1C(=N)OC2=C([C@@H]1c1ccccc1)N1CCC2CC1 ZINC000584660345 348703067 /nfs/dbraw/zinc/70/30/67/348703067.db2.gz YECYKHYJACTTNY-ZIAGYGMSSA-N 0 0 279.343 2.855 10 30 CFEERN N#Cc1ccc(N2CCC[C@@H](CC(N)=O)CC2)cc1Cl ZINC000585783824 348744666 /nfs/dbraw/zinc/74/46/66/348744666.db2.gz KCWCHCLOGAHDHU-LLVKDONJSA-N 0 0 291.782 2.694 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc2ccncc21 ZINC000592772498 349165940 /nfs/dbraw/zinc/16/59/40/349165940.db2.gz LACUVMCJPPAERC-SWLSCSKDSA-N 0 0 265.316 2.657 10 30 CFEERN N#CCc1ccc(C(=O)C(Cl)(Cl)Cl)[nH]1 ZINC000090225682 179936618 /nfs/dbraw/zinc/93/66/18/179936618.db2.gz CKHTXOUHEUNCNT-UHFFFAOYSA-N 0 0 251.500 2.634 10 30 CFEERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 ZINC000105857763 186079874 /nfs/dbraw/zinc/07/98/74/186079874.db2.gz JAYXRVYKPTZYLZ-MRXNPFEDSA-N 0 0 294.358 2.541 10 30 CFEERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)c1 ZINC000105856708 186079898 /nfs/dbraw/zinc/07/98/98/186079898.db2.gz XBMOFENEWIAWAC-MRXNPFEDSA-N 0 0 294.358 2.541 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cscc1Cl ZINC000601272870 350714446 /nfs/dbraw/zinc/71/44/46/350714446.db2.gz ANECGYMXFZSJEZ-XCBNKYQSSA-N 0 0 254.742 2.824 10 30 CFEERN Cc1nn(-c2cc(C)c(F)cc2Cl)c(N)c1C#N ZINC000604941571 351231045 /nfs/dbraw/zinc/23/10/45/351231045.db2.gz GLKOUTDYCSZUBU-UHFFFAOYSA-N 0 0 264.691 2.736 10 30 CFEERN N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000609149799 351488844 /nfs/dbraw/zinc/48/88/44/351488844.db2.gz SFIUVODGUAYTDC-NWDGAFQWSA-N 0 0 250.729 2.927 10 30 CFEERN CC(C)Oc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000610497135 351572722 /nfs/dbraw/zinc/57/27/22/351572722.db2.gz PHBGJIHBQVGCJG-ZFWWWQNUSA-N 0 0 272.348 2.896 10 30 CFEERN Cc1nc(NC[C@@H](O)C(C)(C)C)c(Cl)cc1C#N ZINC000292551265 198330164 /nfs/dbraw/zinc/33/01/64/198330164.db2.gz IZJYMZIVHQDJGT-LLVKDONJSA-N 0 0 267.760 2.734 10 30 CFEERN C=CCN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000161942445 188551612 /nfs/dbraw/zinc/55/16/12/188551612.db2.gz MKSNUSSHQIBGPT-QWHCGFSZSA-N 0 0 296.411 2.714 10 30 CFEERN C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCS1 ZINC000171565759 188743311 /nfs/dbraw/zinc/74/33/11/188743311.db2.gz QUCLJSKWSNCCRZ-NSHDSACASA-N 0 0 292.429 2.614 10 30 CFEERN N#Cc1c(N)sc2c1CCN(c1ccnc(Cl)c1)C2 ZINC000301611404 283078590 /nfs/dbraw/zinc/07/85/90/283078590.db2.gz DQKJQELXUZQUKP-UHFFFAOYSA-N 0 0 290.779 2.813 10 30 CFEERN N#Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1O ZINC000188225409 283129691 /nfs/dbraw/zinc/12/96/91/283129691.db2.gz ARZIPHNUTDWSEK-CQSZACIVSA-N 0 0 294.310 2.517 10 30 CFEERN N#Cc1ccc2c(c1)C(c1ccc3c[nH]nc3n1)C(=O)N2 ZINC000035940845 283191521 /nfs/dbraw/zinc/19/15/21/283191521.db2.gz WWEZBXAOEQNELP-UHFFFAOYSA-N 0 0 275.271 2.683 10 30 CFEERN N#Cc1cnn(-c2ccc(Br)cc2)c1F ZINC000072190407 283244831 /nfs/dbraw/zinc/24/48/31/283244831.db2.gz CXGBHZSQFOBGSR-UHFFFAOYSA-N 0 0 266.073 2.646 10 30 CFEERN CC(C)(C)OC(=O)n1cc(C#CCO)c2cc(F)ccc21 ZINC000669383280 540362487 /nfs/dbraw/zinc/36/24/87/540362487.db2.gz RABNWHJXONATCQ-UHFFFAOYSA-N 0 0 289.306 2.907 10 30 CFEERN CC(C)n1ccnc1C[S@@](=O)Cc1ccc(C#N)cc1 ZINC000176879538 189012792 /nfs/dbraw/zinc/01/27/92/189012792.db2.gz JYFWWAVUQPMVBL-FQEVSTJZSA-N 0 0 287.388 2.785 10 30 CFEERN C#CCCCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000179913048 189227717 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373837898 /nfs/dbraw/zinc/83/78/98/373837898.db2.gz KVBSKRWBMBQDGW-UHFFFAOYSA-N 0 0 277.349 2.714 10 30 CFEERN C#CCCNc1cccc(I)c1 ZINC000070159539 374132421 /nfs/dbraw/zinc/13/24/21/374132421.db2.gz SLFBSMXTTSYTDX-UHFFFAOYSA-N 0 0 271.101 2.726 10 30 CFEERN CC(C)(C#N)c1ccc(Cn2cncn2)c(C(C)(C)C#N)c1 ZINC000071789423 374225307 /nfs/dbraw/zinc/22/53/07/374225307.db2.gz NZZDBGGJIDUAJN-UHFFFAOYSA-N 0 0 293.374 2.929 10 30 CFEERN N#Cc1ccc(CN[C@@H]2COc3ccccc32)c(F)c1 ZINC000070529903 374190869 /nfs/dbraw/zinc/19/08/69/374190869.db2.gz OGHJDMYFXVYBJH-OAHLLOKOSA-N 0 0 268.291 2.921 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073640140 374362363 /nfs/dbraw/zinc/36/23/63/374362363.db2.gz LKVCOAHZCDFHSQ-UHFFFAOYSA-N 0 0 271.228 2.645 10 30 CFEERN O=C(OCc1ccccc1)N1CC[C@H](S)[C@@H](F)C1 ZINC000095076839 375406714 /nfs/dbraw/zinc/40/67/14/375406714.db2.gz WYRJOQQHCHSHOI-RYUDHWBXSA-N 0 0 269.341 2.665 10 30 CFEERN Cc1cc(/C=N\[S@@](=O)C(C)(C)C)cc(Cl)n1 ZINC000102245663 375668547 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C=C[C@](C)(CC)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000135035860 378076696 /nfs/dbraw/zinc/07/66/96/378076696.db2.gz XWUVDVCKDMFSRO-SMDDNHRTSA-N 0 0 280.393 2.645 10 30 CFEERN C=CCC(CC=C)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151595559 378340196 /nfs/dbraw/zinc/34/01/96/378340196.db2.gz YLRQQWFCEHDJGS-RDJZCZTQSA-N 0 0 277.408 2.908 10 30 CFEERN Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c(C#N)c(C)n1 ZINC000160390927 378767823 /nfs/dbraw/zinc/76/78/23/378767823.db2.gz WJSOHQRDQPFREQ-CJNGLKHVSA-N 0 0 271.364 2.940 10 30 CFEERN Cc1cc(NCCCC(=O)OC(C)C)c(C#N)c(C)n1 ZINC000160260119 378759518 /nfs/dbraw/zinc/75/95/18/378759518.db2.gz QGBYKSZFDLCHNU-UHFFFAOYSA-N 0 0 275.352 2.714 10 30 CFEERN Cc1ccc(C#N)c(N2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000161020681 378816326 /nfs/dbraw/zinc/81/63/26/378816326.db2.gz FPFYGYKPRCYYLJ-AWEZNQCLSA-N 0 0 293.374 2.595 10 30 CFEERN C=CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000161386829 378842728 /nfs/dbraw/zinc/84/27/28/378842728.db2.gz VPQBRQOZDGUVGE-WDEREUQCSA-N 0 0 251.276 2.713 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267.332 2.970 10 30 CFEERN C=CCN[C@H](C#N)c1cccc(Br)c1 ZINC000020176149 171042158 /nfs/dbraw/zinc/04/21/58/171042158.db2.gz SDECNPYAOSEOED-LLVKDONJSA-N 0 0 251.127 2.789 10 30 CFEERN Cc1nc(N2CCN3CCCC[C@@H]3C2)c(Cl)cc1C#N ZINC000290971059 381615528 /nfs/dbraw/zinc/61/55/28/381615528.db2.gz OSMWJFQSCOSLKA-CYBMUJFWSA-N 0 0 290.798 2.590 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185524262 381656774 /nfs/dbraw/zinc/65/67/74/381656774.db2.gz AQBQGTPZTWZJTK-STQMWFEESA-N 0 0 296.411 2.714 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000185572053 381668902 /nfs/dbraw/zinc/66/89/02/381668902.db2.gz GJTLGVSFEWJPSQ-OCCSQVGLSA-N 0 0 275.348 2.619 10 30 CFEERN Cc1csc(CN(C)c2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000301271038 382132202 /nfs/dbraw/zinc/13/22/02/382132202.db2.gz GZKPHHFXAVZNCW-UHFFFAOYSA-N 0 0 288.332 2.868 10 30 CFEERN C=CCO[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302141614 382210496 /nfs/dbraw/zinc/21/04/96/382210496.db2.gz JPJPZQUOUMQDJY-ZDUSSCGKSA-N 0 0 290.319 2.579 10 30 CFEERN C=CCO[C@@H]1CCN(c2nc(C)nc3ccc(OC)cc32)C1 ZINC000302196380 382213740 /nfs/dbraw/zinc/21/37/40/382213740.db2.gz XMIFVKSQHPRIHA-CQSZACIVSA-N 0 0 299.374 2.728 10 30 CFEERN CCOc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302775955 382314906 /nfs/dbraw/zinc/31/49/06/382314906.db2.gz OTYDDSOLIRPZIP-UHFFFAOYSA-N 0 0 298.302 2.872 10 30 CFEERN Cc1cccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302703258 382296212 /nfs/dbraw/zinc/29/62/12/382296212.db2.gz GFJFIWMGZDXHIN-UHFFFAOYSA-N 0 0 254.249 2.914 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)C#CBr)cc1 ZINC000306649722 382459828 /nfs/dbraw/zinc/45/98/28/382459828.db2.gz FEBFYUPIRUGTJZ-JTQLQIEISA-N 0 0 266.138 2.528 10 30 CFEERN CCOc1ccccc1/C=N/n1c(C)cc(C)cc1=O ZINC000000492172 169655633 /nfs/dbraw/zinc/65/56/33/169655633.db2.gz YDKKLBKCCFRRLD-GZTJUZNOSA-N 0 0 270.332 2.746 10 30 CFEERN C=CCN(CCc1ccccc1)Cc1nnc(CC)n1C ZINC000195116399 382762446 /nfs/dbraw/zinc/76/24/46/382762446.db2.gz ODNIKDXLVUORDZ-UHFFFAOYSA-N 0 0 284.407 2.608 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1Cl ZINC000575382390 382762937 /nfs/dbraw/zinc/76/29/37/382762937.db2.gz GSHFZCQGRFPWFE-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1c(Cl)cc(C#N)cc1CC ZINC000575382426 382763041 /nfs/dbraw/zinc/76/30/41/382763041.db2.gz KIBHXJPECDKMGL-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1ccc(CC)c(Cl)c1C#N ZINC000575382502 382763099 /nfs/dbraw/zinc/76/30/99/382763099.db2.gz RADSURPLAMSJLX-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1Cl ZINC000575382508 382763109 /nfs/dbraw/zinc/76/31/09/382763109.db2.gz RWZVSXYVWQIXHO-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1Cl ZINC000575382842 382763133 /nfs/dbraw/zinc/76/31/33/382763133.db2.gz GHORRWYZTQBUNM-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)c1cc(C#N)c(Cl)cc1OC(F)(F)F ZINC000575383099 382763584 /nfs/dbraw/zinc/76/35/84/382763584.db2.gz GYLYAXJATOWQQQ-UHFFFAOYSA-N 0 0 279.601 2.897 10 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COC(=O)c1c(C#N)cc(C(F)(F)F)cc1OC(F)F ZINC000575386778 382764431 /nfs/dbraw/zinc/76/44/31/382764431.db2.gz GQBJTZMLZNIMFJ-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1C ZINC000575387269 382764535 /nfs/dbraw/zinc/76/45/35/382764535.db2.gz GLGRMSWNZTWTQQ-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)Cc1cc(C)cc(C#N)c1OC(F)F ZINC000575387147 382764588 /nfs/dbraw/zinc/76/45/88/382764588.db2.gz BASJJBANUFXBOV-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)c1c(C#N)cc(C)cc1OC(F)F ZINC000575388633 382764849 /nfs/dbraw/zinc/76/48/49/382764849.db2.gz OSAWVWSVSSASFX-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1c(OC(F)(F)F)ccc(C(=O)OC)c1C#N ZINC000575388916 382765214 /nfs/dbraw/zinc/76/52/14/382765214.db2.gz KZKOWQWGCINVFR-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(C#N)c(OC(F)(F)F)cc1CC(=O)OC ZINC000575389061 382765250 /nfs/dbraw/zinc/76/52/50/382765250.db2.gz UUGPBLKGCZXKIF-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCOC(=O)c1c(C#N)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575389202 382765445 /nfs/dbraw/zinc/76/54/45/382765445.db2.gz DTKKFGWQLISKHS-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1c(C(F)(F)F)ccc(C#N)c1CC(=O)OC ZINC000575389607 382765768 /nfs/dbraw/zinc/76/57/68/382765768.db2.gz MFVVAHOCGDPJKG-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(CC(=O)OC)c(C#N)cc1C(F)(F)F ZINC000575389573 382765789 /nfs/dbraw/zinc/76/57/89/382765789.db2.gz JSWDQXWYZHMVGL-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(C(F)F)c1C#N ZINC000575712141 382793688 /nfs/dbraw/zinc/79/36/88/382793688.db2.gz GRFZJBGGHIWHGC-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(F)c1C#N ZINC000575390347 382766004 /nfs/dbraw/zinc/76/60/04/382766004.db2.gz BGSACISXIMHIIG-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCc1cc(CC(=O)OC)cc(C#N)c1C(F)F ZINC000575389743 382766073 /nfs/dbraw/zinc/76/60/73/382766073.db2.gz OJMDKQABBSGKPG-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1c(F)ccc(C#N)c1C(F)F ZINC000575389903 382766082 /nfs/dbraw/zinc/76/60/82/382766082.db2.gz UJIHNNWFPFBGNB-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1ccc(F)c(C#N)c1OC(F)(F)F ZINC000575390338 382766091 /nfs/dbraw/zinc/76/60/91/382766091.db2.gz ASRGYNAIKLPJNY-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(F)c1OC(F)(F)F ZINC000575390552 382766528 /nfs/dbraw/zinc/76/65/28/382766528.db2.gz WKMWBAWAKYOEFG-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1c(C#N)ccc(SC(F)(F)F)c1C=O ZINC000575391506 382766696 /nfs/dbraw/zinc/76/66/96/382766696.db2.gz OKLCTRPDBUSJCY-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(O)c(C#N)c(SC(F)(F)F)c1 ZINC000575392372 382767190 /nfs/dbraw/zinc/76/71/90/382767190.db2.gz WNGHKMUJKLLHMZ-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)c(C#N)cc1O ZINC000575392041 382767258 /nfs/dbraw/zinc/76/72/58/382767258.db2.gz MULWBPFYRNKHKR-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN CCOC(=O)c1cc(OC)c(C(F)(F)F)cc1C#N ZINC000575394057 382767936 /nfs/dbraw/zinc/76/79/36/382767936.db2.gz HRTFJATVLFZQJD-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1OC ZINC000575393996 382767955 /nfs/dbraw/zinc/76/79/55/382767955.db2.gz CGIMERQLKWFPAD-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)c1cc(OC)cc(SC(F)(F)F)c1C#N ZINC000575394219 382768010 /nfs/dbraw/zinc/76/80/10/382768010.db2.gz ICOVPJJWHFJJJX-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN COC(=O)Cc1c(C)cc(C(F)(F)F)cc1C#N ZINC000575394682 382768174 /nfs/dbraw/zinc/76/81/74/382768174.db2.gz KMDHBBOLRVBKEF-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1ccc(C)c(OC(F)(F)F)c1C#N ZINC000575394589 382768208 /nfs/dbraw/zinc/76/82/08/382768208.db2.gz LWORLQJWRZUCRZ-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)Cc1cc(C)c(OC(F)(F)F)cc1C#N ZINC000575395171 382768515 /nfs/dbraw/zinc/76/85/15/382768515.db2.gz QCUHBFBLHCMCEF-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC(F)(F)F)c1OC ZINC000575395086 382768599 /nfs/dbraw/zinc/76/85/99/382768599.db2.gz WVQXWFGYTDAYHE-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575395585 382768756 /nfs/dbraw/zinc/76/87/56/382768756.db2.gz INDFFXGJVZEUSR-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1C ZINC000575395274 382768958 /nfs/dbraw/zinc/76/89/58/382768958.db2.gz VURXDERIZHYHER-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN N#CCc1ccnc(C(F)(F)F)c1OC(F)F ZINC000575396925 382769082 /nfs/dbraw/zinc/76/90/82/382769082.db2.gz PKXZOVUZQSXKAY-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccc2c(c1)OCO2 ZINC000575434168 382770925 /nfs/dbraw/zinc/77/09/25/382770925.db2.gz NCGNXCYHVRQAOC-NSHDSACASA-N 0 0 293.319 2.570 10 30 CFEERN COC(=O)Cc1cc(C(F)F)cc(Cl)c1C#N ZINC000575712881 382794007 /nfs/dbraw/zinc/79/40/07/382794007.db2.gz MXMAVMSULOSOOB-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575496124 382773037 /nfs/dbraw/zinc/77/30/37/382773037.db2.gz DTCUOYATRVHJCZ-SKDRFNHKSA-N 0 0 256.371 2.689 10 30 CFEERN N#Cc1ccn(CC2CC(OCc3ccccc3)C2)n1 ZINC000575602704 382774860 /nfs/dbraw/zinc/77/48/60/382774860.db2.gz VFEIDAJTKJDUIE-UHFFFAOYSA-N 0 0 267.332 2.750 10 30 CFEERN CN1CCC[C@H](Nc2nccc(C#N)n2)c2ccccc21 ZINC000575603256 382774942 /nfs/dbraw/zinc/77/49/42/382774942.db2.gz UQSPFUXYJVQYQR-AWEZNQCLSA-N 0 0 279.347 2.731 10 30 CFEERN CCOc1ccc(C#N)c(CC#N)c1OC(F)F ZINC000575639169 382776424 /nfs/dbraw/zinc/77/64/24/382776424.db2.gz PPDWUZBNWADZFO-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN COc1cc(OC(F)(F)F)cc(C#N)c1CC#N ZINC000575645474 382777398 /nfs/dbraw/zinc/77/73/98/382777398.db2.gz CAMSEDHKXGFSOG-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN CCOc1cc(CC#N)c(OC)cc1OC(F)F ZINC000575657585 382780003 /nfs/dbraw/zinc/78/00/03/382780003.db2.gz MZJHZBXCNIBNRA-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1cc(Br)c(N)cc1Br ZINC000575716190 382794883 /nfs/dbraw/zinc/79/48/83/382794883.db2.gz MOWDPMKGIVXULO-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#Cc1cc(OC(F)(F)F)c(O)cc1OC(F)F ZINC000575661297 382781189 /nfs/dbraw/zinc/78/11/89/382781189.db2.gz DPTXQHYSJUWEBH-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1cc(O)cc(OC(F)F)c1C(F)(F)F ZINC000575662315 382781434 /nfs/dbraw/zinc/78/14/34/382781434.db2.gz VYCIHMIDUUFPCN-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#Cc1cc(C(F)(F)F)c(OC(F)F)cc1O ZINC000575661798 382781647 /nfs/dbraw/zinc/78/16/47/382781647.db2.gz MELUUXZSMTUGTE-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN CCOc1cc(C#N)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575670793 382783483 /nfs/dbraw/zinc/78/34/83/382783483.db2.gz LXIGPKMJXGKVTI-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1c(I)ccc(C#N)c1F ZINC000575670247 382783564 /nfs/dbraw/zinc/78/35/64/382783564.db2.gz HPBGOIYLHFDLBT-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN N#CCc1c(OC(F)F)cc(N)cc1OC(F)(F)F ZINC000575716482 382795055 /nfs/dbraw/zinc/79/50/55/382795055.db2.gz CFKMLWCUBHUQJN-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN CCOc1c(F)c(I)ccc1C#N ZINC000575670276 382783634 /nfs/dbraw/zinc/78/36/34/382783634.db2.gz IGXLDLSTDQLEHD-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C#N ZINC000575670863 382783653 /nfs/dbraw/zinc/78/36/53/382783653.db2.gz NOJLKZKOMNGHJS-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(OCC)cc1C#N ZINC000575670501 382783674 /nfs/dbraw/zinc/78/36/74/382783674.db2.gz JTRPFSNVFOENPR-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1cc(C)c(C#N)c(I)c1 ZINC000575670905 382783688 /nfs/dbraw/zinc/78/36/88/382783688.db2.gz NXCLJRCPXNZBMQ-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(OC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575671835 382783949 /nfs/dbraw/zinc/78/39/49/382783949.db2.gz YKHONUITVRIIPW-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOC(=O)c1cc(OCC)cc(C#N)c1OCC ZINC000575671618 382783973 /nfs/dbraw/zinc/78/39/73/382783973.db2.gz VMKLONQHARXJOG-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOc1cc(C#N)cc(C)c1I ZINC000575671895 382784018 /nfs/dbraw/zinc/78/40/18/382784018.db2.gz YXEIJUMNOSSPQY-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575673201 382784283 /nfs/dbraw/zinc/78/42/83/382784283.db2.gz DMXYTFUGEXFSOX-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1ccc(Br)c(Cl)c1[N+](=O)[O-] ZINC000575678495 382784870 /nfs/dbraw/zinc/78/48/70/382784870.db2.gz WPXABNATOBCKTQ-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1ccc(Cl)c(Br)c1[N+](=O)[O-] ZINC000575678240 382784926 /nfs/dbraw/zinc/78/49/26/382784926.db2.gz RQECFKYHJMUXDM-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COc1c(CC#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575677739 382784950 /nfs/dbraw/zinc/78/49/50/382784950.db2.gz DNBGQVQFIAZXGW-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1cc(N)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575717355 382795210 /nfs/dbraw/zinc/79/52/10/382795210.db2.gz ORLQGPGHODGZPE-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1cc(Br)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575687182 382788283 /nfs/dbraw/zinc/78/82/83/382788283.db2.gz RPAKUMRCLYLATE-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1ccc(OC(F)F)c(OC(F)(F)F)c1N ZINC000575716822 382795327 /nfs/dbraw/zinc/79/53/27/382795327.db2.gz FYLNEHHETHVEOY-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1c(F)ccc(I)c1F ZINC000575696554 382789870 /nfs/dbraw/zinc/78/98/70/382789870.db2.gz YFDXGDVSKNUFSM-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN Cc1cc(F)cc(CC#N)c1I ZINC000575705457 382792181 /nfs/dbraw/zinc/79/21/81/382792181.db2.gz MCIKNUFDELDJPY-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN COc1cc(I)cc(CC#N)c1F ZINC000575705458 382792355 /nfs/dbraw/zinc/79/23/55/382792355.db2.gz MDEHYAHZWPELPZ-UHFFFAOYSA-N 0 0 291.063 2.505 10 30 CFEERN COc1cc(I)c(C)cc1CC#N ZINC000575709491 382792946 /nfs/dbraw/zinc/79/29/46/382792946.db2.gz XTIQCKCTDIFFES-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1Br ZINC000575341627 382759315 /nfs/dbraw/zinc/75/93/15/382759315.db2.gz UXTLVKTWWMFYEV-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)c1cc(OC)c(C(F)F)cc1C#N ZINC000575343524 382759695 /nfs/dbraw/zinc/75/96/95/382759695.db2.gz DKGAQAOKUNURPJ-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1c(OC)ccc(C#N)c1C(F)F ZINC000575343510 382759771 /nfs/dbraw/zinc/75/97/71/382759771.db2.gz BMIUGJWSUWUJGF-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1c(C#N)cccc1OC(F)(F)F ZINC000575344837 382759979 /nfs/dbraw/zinc/75/99/79/382759979.db2.gz AJOREOPMSUYOHW-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)Cc1c(C)c(C#N)ccc1C(F)F ZINC000575344168 382760013 /nfs/dbraw/zinc/76/00/13/382760013.db2.gz SHAGDBJQPWUQNQ-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1OC ZINC000575343638 382760124 /nfs/dbraw/zinc/76/01/24/382760124.db2.gz UNXOYFLINVFRBA-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1c(F)ccc(C#N)c1C(F)(F)F ZINC000575345024 382760299 /nfs/dbraw/zinc/76/02/99/382760299.db2.gz PNACGVQUWOJIKL-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)ccc1C#N ZINC000575344994 382760394 /nfs/dbraw/zinc/76/03/94/382760394.db2.gz MVEMVZXMTYSXQK-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)Cc1c(F)cc(C(F)(F)F)cc1C#N ZINC000575345021 382760398 /nfs/dbraw/zinc/76/03/98/382760398.db2.gz PFKKIUMYNVZPRM-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(F)cc1C(F)(F)F ZINC000575344917 382760403 /nfs/dbraw/zinc/76/04/03/382760403.db2.gz ITYFGFLRPGXDTR-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C(F)(F)F)cc1C#N ZINC000575344978 382760448 /nfs/dbraw/zinc/76/04/48/382760448.db2.gz LMKOANDEKMBOCL-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CC[C@](C)(CCO)Nc1nc(Cl)c(C#N)s1 ZINC000228783650 382849097 /nfs/dbraw/zinc/84/90/97/382849097.db2.gz WGVOBXMPWJPXMI-SNVBAGLBSA-N 0 0 259.762 2.631 10 30 CFEERN N#Cc1sc(N[C@H]2CCCC[C@H]2CO)nc1Cl ZINC000227832963 382840960 /nfs/dbraw/zinc/84/09/60/382840960.db2.gz YOYDUKVXIZTCTJ-YUMQZZPRSA-N 0 0 271.773 2.631 10 30 CFEERN CCc1nnc(NCc2nc(C)c(C)o2)c(C#N)c1CC ZINC000229717301 382853027 /nfs/dbraw/zinc/85/30/27/382853027.db2.gz CBVQERGQYMSNGR-UHFFFAOYSA-N 0 0 285.351 2.690 10 30 CFEERN C=CC(=O)Cc1cc(Br)cc2c1OCC2 ZINC000232463527 382868838 /nfs/dbraw/zinc/86/88/38/382868838.db2.gz MJHNDQWQPGUKOK-UHFFFAOYSA-N 0 0 267.122 2.682 10 30 CFEERN CC1(C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232777413 382870098 /nfs/dbraw/zinc/87/00/98/382870098.db2.gz VTHOGJYRBMRUAE-NSHDSACASA-N 0 0 260.297 2.852 10 30 CFEERN Fc1ccc(C#CCN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000246580102 383083543 /nfs/dbraw/zinc/08/35/43/383083543.db2.gz ZGOPDSJEHWDRDJ-IAGOWNOFSA-N 0 0 273.351 2.821 10 30 CFEERN N#Cc1cc(OC(F)(F)F)ncc1C(F)(F)F ZINC000514256929 383154149 /nfs/dbraw/zinc/15/41/49/383154149.db2.gz YAAHTTCRKDVONP-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000248627982 383275307 /nfs/dbraw/zinc/27/53/07/383275307.db2.gz ONECXWGZWSHQNN-WOSRLPQWSA-N 0 0 288.391 2.861 10 30 CFEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1F ZINC000248837068 383296581 /nfs/dbraw/zinc/29/65/81/383296581.db2.gz KFWJNNUCYPTJCJ-CVEARBPZSA-N 0 0 274.339 2.841 10 30 CFEERN CSc1nnc(C(F)F)n1N=Cc1ccccc1F ZINC000254485153 383468180 /nfs/dbraw/zinc/46/81/80/383468180.db2.gz HHMHGSYFPQRICY-UHFFFAOYSA-N 0 0 286.282 2.959 10 30 CFEERN Cc1cc(C)n(N=C2CCCc3ccccc32)c(=O)c1C#N ZINC000254706149 383470431 /nfs/dbraw/zinc/47/04/31/383470431.db2.gz WDDULDOHQLCDSI-UHFFFAOYSA-N 0 0 291.354 2.926 10 30 CFEERN N#Cc1c(Br)cncc1C(F)(F)F ZINC000260282207 383505200 /nfs/dbraw/zinc/50/52/00/383505200.db2.gz SPBSTZCVFCNUJR-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN CO[C@@]1(C)CCCN(C(=O)NCCC2CCOCC2)CC1 ZINC000329976198 533020319 /nfs/dbraw/zinc/02/03/19/533020319.db2.gz YNBRJOZUHCYEQC-INIZCTEOSA-N 0 0 298.427 2.608 10 30 CFEERN Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)s1 ZINC000274242372 385746789 /nfs/dbraw/zinc/74/67/89/385746789.db2.gz UMEUTCUWZVQICP-SSDOTTSWSA-N 0 0 289.320 2.800 10 30 CFEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000191141708 262189663 /nfs/dbraw/zinc/18/96/63/262189663.db2.gz WNSWLULQXMCXRS-FZMZJTMJSA-N 0 0 258.321 2.506 10 30 CFEERN O=C(OCc1ccccc1)N1CC[C@H](F)[C@@H](S)C1 ZINC000095076838 184935253 /nfs/dbraw/zinc/93/52/53/184935253.db2.gz XSYJEAUZKRNRMR-RYUDHWBXSA-N 0 0 269.341 2.665 10 30 CFEERN Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)c(C#N)c(C)n1 ZINC000301751477 393477051 /nfs/dbraw/zinc/47/70/51/393477051.db2.gz AZQRKXNDQAGYOX-KBPBESRZSA-N 0 0 253.349 2.973 10 30 CFEERN C=CCCC[C@H](C)Nc1nn2c(nc(CC)cc2=O)s1 ZINC000301997588 393485284 /nfs/dbraw/zinc/48/52/84/393485284.db2.gz IBCGNSPJBKWSPL-JTQLQIEISA-N 0 0 292.408 2.870 10 30 CFEERN C=C(Br)CN1CCO[C@H]2CCCC[C@H]21 ZINC000306556151 393507967 /nfs/dbraw/zinc/50/79/67/393507967.db2.gz MNQLAJKRZKJPBY-MNOVXSKESA-N 0 0 260.175 2.538 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1F ZINC000061889035 393626217 /nfs/dbraw/zinc/62/62/17/393626217.db2.gz YYTBBASGOLXXLU-PRHODGIISA-N 0 0 266.703 2.901 10 30 CFEERN C=CCOCc1cccc(I)c1 ZINC000072191268 393642109 /nfs/dbraw/zinc/64/21/09/393642109.db2.gz RIQQBKXRBFJPMK-UHFFFAOYSA-N 0 0 274.101 2.994 10 30 CFEERN C#Cc1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)c1 ZINC000102926251 393853110 /nfs/dbraw/zinc/85/31/10/393853110.db2.gz CZBVMUVONLBKJE-UGFHNGPFSA-N 0 0 267.328 2.594 10 30 CFEERN CCCO[C@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000042421181 134889708 /nfs/dbraw/zinc/88/97/08/134889708.db2.gz TZLKKJKQTIMWDE-ZDUSSCGKSA-N 0 0 259.353 2.536 10 30 CFEERN N#CCc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000177927494 394385633 /nfs/dbraw/zinc/38/56/33/394385633.db2.gz UUCCNWSQEKVTGZ-WMZOPIPTSA-N 0 0 298.386 2.520 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000178535127 394388672 /nfs/dbraw/zinc/38/86/72/394388672.db2.gz UCCQNUDSCJWQJA-ZFWWWQNUSA-N 0 0 287.363 2.539 10 30 CFEERN C=C(C)C(=O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000406059028 543029344 /nfs/dbraw/zinc/02/93/44/543029344.db2.gz ZGQJFJQAJXHXAR-UHFFFAOYSA-N 0 0 253.342 2.827 10 30 CFEERN CCO[C@H](C#N)c1ccc(I)cc1 ZINC000307012248 397643232 /nfs/dbraw/zinc/64/32/32/397643232.db2.gz KRSWBCMDXPBOOF-SNVBAGLBSA-N 0 0 287.100 2.892 10 30 CFEERN C=CCOCC(=O)c1ccc(Br)cc1 ZINC000050160127 175510412 /nfs/dbraw/zinc/51/04/12/175510412.db2.gz XEVJLWYAJZZHQA-UHFFFAOYSA-N 0 0 255.111 2.834 10 30 CFEERN CCOC(=O)[C@@H](C#N)c1ccccc1Br ZINC000002530183 169803665 /nfs/dbraw/zinc/80/36/65/169803665.db2.gz TWVZHVARRDRHKV-VIFPVBQESA-N 0 0 268.110 2.619 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1F ZINC000005867429 170148832 /nfs/dbraw/zinc/14/88/32/170148832.db2.gz CBCJOEVPTWNGQU-UHFFFAOYSA-N 0 0 285.234 2.858 10 30 CFEERN Cc1cc(C)c(C#N)c(SCC(=O)C(F)(F)F)n1 ZINC000005895045 170151352 /nfs/dbraw/zinc/15/13/52/170151352.db2.gz YFZNBMZDBKVKGJ-UHFFFAOYSA-N 0 0 274.267 2.794 10 30 CFEERN C#C/C(C)=C/CN1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006488698 170205394 /nfs/dbraw/zinc/20/53/94/170205394.db2.gz PKYXXBMHZKYHSP-YQCJOKCJSA-N 0 0 281.359 2.526 10 30 CFEERN CCOc1cc(C#N)ccc1OCC(=O)NC(CC)CC ZINC000006540664 170211873 /nfs/dbraw/zinc/21/18/73/170211873.db2.gz QIZGYFRKNCGAPZ-UHFFFAOYSA-N 0 0 290.363 2.641 10 30 CFEERN N#Cc1cccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000007268429 170275132 /nfs/dbraw/zinc/27/51/32/170275132.db2.gz SAPDHBRBBZGYFV-UHFFFAOYSA-N 0 0 285.234 2.858 10 30 CFEERN C=CCNC(=S)NC(=O)CCC1CCCCC1 ZINC000008554551 170340277 /nfs/dbraw/zinc/34/02/77/170340277.db2.gz HSUUXXAVORCGLP-UHFFFAOYSA-N 0 0 254.399 2.524 10 30 CFEERN CC/N=c1\scc(C)n1/N=C/c1ccsc1 ZINC000012487905 170490802 /nfs/dbraw/zinc/49/08/02/170490802.db2.gz HAVRRKKHDQKNIX-CNZPJCCLSA-N 0 0 251.380 2.722 10 30 CFEERN C#CCOc1ccc2cccc(CCNC(C)=O)c2c1 ZINC000013781765 170593630 /nfs/dbraw/zinc/59/36/30/170593630.db2.gz HXGUNAZOQDGMJT-UHFFFAOYSA-N 0 0 267.328 2.530 10 30 CFEERN CCc1ccc(Oc2ccc(/C(N)=N/O)cn2)cc1 ZINC000019428417 170795834 /nfs/dbraw/zinc/79/58/34/170795834.db2.gz BDNLIVFPVMVLFX-UHFFFAOYSA-N 0 0 257.293 2.531 10 30 CFEERN N/C(COc1ccc(Oc2ccccc2)cc1)=N\O ZINC000019481466 170810064 /nfs/dbraw/zinc/81/00/64/170810064.db2.gz BHBIKPOEUACVBM-UHFFFAOYSA-N 0 0 258.277 2.604 10 30 CFEERN Cc1ccc(C)c(Oc2cc(/C(N)=N/O)ccn2)c1 ZINC000019486739 170812873 /nfs/dbraw/zinc/81/28/73/170812873.db2.gz OHZAGERHCDIMKR-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN C=C(C(=O)OCC)[C@H](O)c1ccc(Br)s1 ZINC000019835668 170884651 /nfs/dbraw/zinc/88/46/51/170884651.db2.gz FOCODJNSHJXUOZ-VIFPVBQESA-N 0 0 291.166 2.663 10 30 CFEERN N/C(=N\O)c1ccc(CSc2ccccn2)c(F)c1 ZINC000019847840 170897232 /nfs/dbraw/zinc/89/72/32/170897232.db2.gz ILYKOGNNFVOWHS-UHFFFAOYSA-N 0 0 277.324 2.608 10 30 CFEERN COCCCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175252 171041785 /nfs/dbraw/zinc/04/17/85/171041785.db2.gz OGSQGEJQXIJKRY-LLVKDONJSA-N 0 0 256.708 2.670 10 30 CFEERN C[C@@H](Nc1ccccc1C#N)C(=O)NC1CCCCC1 ZINC000020308304 171143674 /nfs/dbraw/zinc/14/36/74/171143674.db2.gz QXNFVBLZWFUIMN-GFCCVEGCSA-N 0 0 271.364 2.808 10 30 CFEERN C[C@@H](Oc1ccc(CC#N)cc1)C(=O)N1CCCCCC1 ZINC000020311137 171144581 /nfs/dbraw/zinc/14/45/81/171144581.db2.gz BDYFGMHTPPASRP-CQSZACIVSA-N 0 0 286.375 2.923 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020313341 171145098 /nfs/dbraw/zinc/14/50/98/171145098.db2.gz OHEJJCGTWVOLLF-SNVBAGLBSA-N 0 0 250.367 2.511 10 30 CFEERN C#Cc1cccc(N[C@H](C)C(=O)NC(C)(C)CC)c1 ZINC000020369711 171167388 /nfs/dbraw/zinc/16/73/88/171167388.db2.gz KGNBNSSHSKMYQP-GFCCVEGCSA-N 0 0 258.365 2.773 10 30 CFEERN CC(C)CCCOCc1ccccc1/C(N)=N/O ZINC000020516421 171232382 /nfs/dbraw/zinc/23/23/82/171232382.db2.gz HFVHIFANHWZEFD-UHFFFAOYSA-N 0 0 250.342 2.734 10 30 CFEERN Oc1ccc2ccccc2c1C=NNc1n[nH]c(=S)[nH]1 ZINC000020806602 171273285 /nfs/dbraw/zinc/27/32/85/171273285.db2.gz XLBJRUNHZQMUPE-VGOFMYFVSA-N 0 0 285.332 2.772 10 30 CFEERN N#Cc1c(Cl)nc2ccc(Br)cn12 ZINC000021949143 171338610 /nfs/dbraw/zinc/33/86/10/171338610.db2.gz WVMNAPADSFEKQD-UHFFFAOYSA-N 0 0 256.490 2.622 10 30 CFEERN CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C ZINC000033753849 171820017 /nfs/dbraw/zinc/82/00/17/171820017.db2.gz YDVXPJXUHRROBA-UHFFFAOYSA-N 0 0 250.342 2.596 10 30 in-vitro CFEERN N#CCc1ccc(OCCOCC(F)(F)F)cc1 ZINC000034674887 171861416 /nfs/dbraw/zinc/86/14/16/171861416.db2.gz ASPALNCJSNIOHY-UHFFFAOYSA-N 0 0 259.227 2.710 10 30 CFEERN N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000035206178 172050160 /nfs/dbraw/zinc/05/01/60/172050160.db2.gz ZWUZAHBFNAJBQS-UHFFFAOYSA-N 0 0 255.726 2.560 10 30 CFEERN N#CCCn1nc(-c2cccc(Br)c2)cc1N ZINC000035277023 172096927 /nfs/dbraw/zinc/09/69/27/172096927.db2.gz BJELQRDPUDRUJS-UHFFFAOYSA-N 0 0 291.152 2.808 10 30 CFEERN Cc1n[nH]c(=S)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035506757 172238868 /nfs/dbraw/zinc/23/88/68/172238868.db2.gz JGIUIBBBVLROOR-XGICHPGQSA-N 0 0 297.727 2.693 10 30 CFEERN COc1cccc(C(=O)/C=C\c2cnn(C)c2C)c1 ZINC000035678790 172349874 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285.368 2.583 10 30 CFEERN C[C@@H](NC(=O)c1cccs1)c1cccc(C#CCO)c1 ZINC000049588930 175490625 /nfs/dbraw/zinc/49/06/25/175490625.db2.gz LZGYRIRGPWWHCM-GFCCVEGCSA-N 0 0 285.368 2.583 10 30 CFEERN C=CC[NH2+][C@H](C(=O)[O-])c1c(OC)ccc2ccccc21 ZINC000051960494 175528703 /nfs/dbraw/zinc/52/87/03/175528703.db2.gz BRGBTNOYRKOGII-HNNXBMFYSA-N 0 0 271.316 2.750 10 30 CFEERN C=CCN[C@@](C)(C(=O)OCC)c1cccc(OC(F)F)c1 ZINC000051961776 175528986 /nfs/dbraw/zinc/52/89/86/175528986.db2.gz IFWVCJCLXGZEQZ-OAHLLOKOSA-N 0 0 299.317 2.842 10 30 CFEERN C=CCN[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000051961966 175529127 /nfs/dbraw/zinc/52/91/27/175529127.db2.gz XLNSGNRUIMUPEP-GFCCVEGCSA-N 0 0 253.729 2.720 10 30 CFEERN C#CCN[C@](C)(C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000051964616 175529146 /nfs/dbraw/zinc/52/91/46/175529146.db2.gz DNVAYZPBTVZSHE-KRWDZBQOSA-N 0 0 273.376 2.595 10 30 CFEERN O=C(Nc1ccc(C#CCO)cc1)c1cccc(F)c1F ZINC000054212701 175555617 /nfs/dbraw/zinc/55/56/17/175555617.db2.gz LQXLXYZMWMINDA-UHFFFAOYSA-N 0 0 287.265 2.561 10 30 CFEERN Oc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000056689427 175585349 /nfs/dbraw/zinc/58/53/49/175585349.db2.gz GRDLPUUYRVMQPX-GDNBJRDFSA-N 0 0 277.393 2.523 10 30 CFEERN OCC#Cc1ccc(CSC2CCOCC2)c(F)c1 ZINC000062056149 175661691 /nfs/dbraw/zinc/66/16/91/175661691.db2.gz CIWQKIKXEPWNBZ-UHFFFAOYSA-N 0 0 280.364 2.582 10 30 CFEERN C=CCN1C(=O)c2ccccc2[C@]1(CC=C)C(=O)OCC ZINC000064873809 175699217 /nfs/dbraw/zinc/69/92/17/175699217.db2.gz DKQYBMYRBJDZRM-QGZVFWFLSA-N 0 0 285.343 2.663 10 30 CFEERN C=CCSCCNC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000171600130 335072350 /nfs/dbraw/zinc/07/23/50/335072350.db2.gz HLGSSXNWXYVLPM-LBPRGKRZSA-N 0 0 279.405 2.834 10 30 CFEERN CN1C(=O)c2c(cccc2OCc2ccccc2)[C@H]1C#N ZINC000071682690 176245422 /nfs/dbraw/zinc/24/54/22/176245422.db2.gz CFDLYGFPHKJLTC-CQSZACIVSA-N 0 0 278.311 2.916 10 30 CFEERN C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1S ZINC000073655269 176483476 /nfs/dbraw/zinc/48/34/76/176483476.db2.gz GGCPTINZSYKSOB-CMPLNLGQSA-N 0 0 251.351 2.826 10 30 CFEERN CCC[C@@H]1CCC(=O)N(Cc2ccnc(C#N)c2)CC1 ZINC000079227452 177450890 /nfs/dbraw/zinc/45/08/90/177450890.db2.gz OUZPBCJLJACHCS-CYBMUJFWSA-N 0 0 271.364 2.882 10 30 CFEERN CC(C)[C@H]1CCC(=O)N(Cc2ccnc(C#N)c2)CC1 ZINC000079248984 177456781 /nfs/dbraw/zinc/45/67/81/177456781.db2.gz UAEGXGAWAUNUEY-AWEZNQCLSA-N 0 0 271.364 2.738 10 30 CFEERN N#CC1(C(=O)N2CCC(c3nccs3)CC2)CCC1 ZINC000336498457 227064426 /nfs/dbraw/zinc/06/44/26/227064426.db2.gz NNAJARXFGFJRKC-UHFFFAOYSA-N 0 0 275.377 2.543 10 30 CFEERN O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000329127685 227315307 /nfs/dbraw/zinc/31/53/07/227315307.db2.gz NBYVSDTUAWVSLG-LSDHHAIUSA-N 0 0 285.347 2.967 10 30 CFEERN O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H]2CCC[C@H]21 ZINC000329127684 227315630 /nfs/dbraw/zinc/31/56/30/227315630.db2.gz NBYVSDTUAWVSLG-HUUCEWRRSA-N 0 0 285.347 2.967 10 30 CFEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1CCC[C@@](F)(CO)C1 ZINC000329431272 227510382 /nfs/dbraw/zinc/51/03/82/227510382.db2.gz KIYJYPITOWJESC-NHIYQJMISA-N 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/nfs/dbraw/zinc/63/58/71/618635871.db2.gz UXBQUOWDSPMEOH-HNNXBMFYSA-N 0 0 291.416 2.654 10 30 CFEERN C[C@H]1CN(c2nc3ccccc3cc2C#N)C[C@H](C)O1 ZINC000070217981 625285448 /nfs/dbraw/zinc/28/54/48/625285448.db2.gz WHAUBSLIMCLCLI-RYUDHWBXSA-N 0 0 267.332 2.720 10 30 CFEERN C=CCN(CC(=O)OCC)Cc1ccc2ccccc2n1 ZINC000096731359 619183895 /nfs/dbraw/zinc/18/38/95/619183895.db2.gz NMNGGOJBENTKOV-UHFFFAOYSA-N 0 0 284.359 2.786 10 30 CFEERN COc1cccc(/C=C2/C(=O)ON=C2C)c1OC(C)C ZINC000224120122 622997822 /nfs/dbraw/zinc/99/78/22/622997822.db2.gz XAPYIDGOHMLMTJ-XYOKQWHBSA-N 0 0 275.304 2.799 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061890267 623240463 /nfs/dbraw/zinc/24/04/63/623240463.db2.gz MBSXGPTZHKJCDG-KCJUWKMLSA-N 0 0 293.710 2.670 10 30 CFEERN C#CCCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181362107 625125503 /nfs/dbraw/zinc/12/55/03/625125503.db2.gz QHDRIPXRVBCNRY-CZUORRHYSA-N 0 0 270.376 2.941 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000185994386 625813942 /nfs/dbraw/zinc/81/39/42/625813942.db2.gz XAQUWIXOSNWVKK-TYNCELHUSA-N 0 0 256.349 2.549 10 30 CFEERN C#CCOc1ccccc1NC(=O)N[C@H](C)C(C)C ZINC000188090837 650315255 /nfs/dbraw/zinc/31/52/55/650315255.db2.gz NCAFCAULKBBAHC-GFCCVEGCSA-N 0 0 260.337 2.865 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)C#Cc2ccccc2)o1 ZINC000080550540 650688082 /nfs/dbraw/zinc/68/80/82/650688082.db2.gz IZWGJWWOFJEUQT-CYBMUJFWSA-N 0 0 253.301 2.817 10 30 CFEERN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000125883183 642841970 /nfs/dbraw/zinc/84/19/70/642841970.db2.gz OUYUVUAHJNXITE-LLVKDONJSA-N 0 0 267.332 2.736 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)OCC#Cc2ccc(Cl)cc2)O1 ZINC000126116975 642978037 /nfs/dbraw/zinc/97/80/37/642978037.db2.gz NSGAFDWWUCJYHD-RISCZKNCSA-N 0 0 278.735 2.802 10 30 CFEERN CCCCCCCCC(=O)N1CC[C@H](CCO)C1 ZINC000126867135 643706170 /nfs/dbraw/zinc/70/61/70/643706170.db2.gz SLQHPAJCOQKLCT-CQSZACIVSA-N 0 0 255.402 2.968 10 30 CFEERN CC1=C(C(=O)OCCC#N)Sc2ccccc2N1 ZINC000082315903 177959901 /nfs/dbraw/zinc/95/99/01/177959901.db2.gz YFFNLLANWBDJDF-UHFFFAOYSA-N 0 0 260.318 2.893 10 30 CFEERN CC(C)(C)OC(=O)N=C(N)c1cccc(Cl)c1 ZINC000082556790 178094502 /nfs/dbraw/zinc/09/45/02/178094502.db2.gz FMGWPMUXCIEMGK-UHFFFAOYSA-N 0 0 254.717 2.980 10 30 CFEERN CCOC(=O)C(C#N)=NNc1ccc(Cl)cc1 ZINC000095861562 185029537 /nfs/dbraw/zinc/02/95/37/185029537.db2.gz XLDNAYMPMMJDGA-SJHSGFPMSA-N 0 0 251.673 2.879 10 30 CFEERN C#CCNc1c(C)cc(Br)cc1OC ZINC000068990893 346879232 /nfs/dbraw/zinc/87/92/32/346879232.db2.gz LUWYBDDGIJFRMC-UHFFFAOYSA-N 0 0 254.127 2.811 10 30 CFEERN Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)c(C)c1 ZINC000595690431 349701907 /nfs/dbraw/zinc/70/19/07/349701907.db2.gz RNNLVYWCGFEALO-GDBMZVCRSA-N 0 0 257.381 2.913 10 30 CFEERN CC[C@H](OC)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333806165 529714755 /nfs/dbraw/zinc/71/47/55/529714755.db2.gz HDYVMSMIHGRWLJ-HZMBPMFUSA-N 0 0 261.325 2.893 10 30 CFEERN CN(C)/C=C/C(=O)c1cc(Br)cs1 ZINC000117891942 539479055 /nfs/dbraw/zinc/47/90/55/539479055.db2.gz AAMGULGBDXTIDY-ONEGZZNKSA-N 0 0 260.156 2.769 10 30 CFEERN C#C[C@]1(O)C[C@@H]2c3ccc(OC)cc3CC[C@]2(C)C1 ZINC000017060259 346239520 /nfs/dbraw/zinc/23/95/20/346239520.db2.gz RGMQGPYAYKKFCZ-ZACQAIPSSA-N 0 0 256.345 2.889 10 30 CFEERN N#C[C@@]1(N2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000037355418 346330175 /nfs/dbraw/zinc/33/01/75/346330175.db2.gz WIRFRHCRPDGMHF-KRWDZBQOSA-N 0 0 269.392 2.641 10 30 CFEERN COc1ccc(NC(=NC#N)Oc2ccccc2)cc1OC ZINC000034067032 346314825 /nfs/dbraw/zinc/31/48/25/346314825.db2.gz LQFKNILTFGBLQE-UHFFFAOYSA-N 0 0 297.314 2.841 10 30 CFEERN CCO/C=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000034745711 346319062 /nfs/dbraw/zinc/31/90/62/346319062.db2.gz FZHOYNJTYKXPSU-ONEGZZNKSA-N 0 0 268.128 2.939 10 30 CFEERN N#CCCN(Cc1cccnc1)c1ccc(N)cc1F ZINC000034957396 346320176 /nfs/dbraw/zinc/32/01/76/346320176.db2.gz RUZMRKLURRBJIP-UHFFFAOYSA-N 0 0 270.311 2.723 10 30 CFEERN N#Cc1cccc([C@]23C[C@H]2CC2(CC3)OCCO2)c1 ZINC000036374104 346322850 /nfs/dbraw/zinc/32/28/50/346322850.db2.gz VFXNIMUXNIMRHT-GJZGRUSLSA-N 0 0 255.317 2.743 10 30 CFEERN C=C1CCN(C=O)[C@H](Cc2ccccc2OC)[C@H]1C ZINC000036406531 346323122 /nfs/dbraw/zinc/32/31/22/346323122.db2.gz IBWVEGFZPXRIDP-DZGCQCFKSA-N 0 0 259.349 2.661 10 30 CFEERN N#CCCn1ncc(Br)c1C(F)(F)F ZINC000036667461 346323935 /nfs/dbraw/zinc/32/39/35/346323935.db2.gz QCHULLYAKCYRLT-UHFFFAOYSA-N 0 0 268.036 2.578 10 30 CFEERN C#CCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000038241089 346337781 /nfs/dbraw/zinc/33/77/81/346337781.db2.gz CKJWLEMTYAEICI-UHFFFAOYSA-N 0 0 252.335 2.504 10 30 CFEERN C/C(=N\NC(=S)Nc1ccncc1)c1ccccc1 ZINC000038822141 346339603 /nfs/dbraw/zinc/33/96/03/346339603.db2.gz IEPRMZGADAWASI-GZTJUZNOSA-N 0 0 270.361 2.792 10 30 CFEERN COc1ccc([S@](=O)c2cccc(F)c2C#N)cc1 ZINC000039073939 346341516 /nfs/dbraw/zinc/34/15/16/346341516.db2.gz HJOJQFUWFBNYOM-LJQANCHMSA-N 0 0 275.304 2.873 10 30 CFEERN CCCCCCCCCCCC(=O)[C@H]1O[C@H]1C(N)=O ZINC000043394195 346383143 /nfs/dbraw/zinc/38/31/43/346383143.db2.gz NHNFAYXLXRTIFN-ZIAGYGMSSA-N 0 0 269.385 2.729 10 30 CFEERN C=C(Br)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052441737 346521520 /nfs/dbraw/zinc/52/15/20/346521520.db2.gz MNQLAJKRZKJPBY-QWRGUYRKSA-N 0 0 260.175 2.538 10 30 CFEERN CCC[C@@H](C#N)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000104073627 136553897 /nfs/dbraw/zinc/55/38/97/136553897.db2.gz ONPSKKPTXINIKZ-ZDUSSCGKSA-N 0 0 278.787 2.549 10 30 CFEERN CC[C@@H]1CCCN(c2ccc(F)cc2/C(N)=N/O)C1 ZINC000104232163 136554067 /nfs/dbraw/zinc/55/40/67/136554067.db2.gz MBDIRYAYKYQTBP-SNVBAGLBSA-N 0 0 265.332 2.547 10 30 CFEERN CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1noc(C)n1 ZINC000080679634 347374268 /nfs/dbraw/zinc/37/42/68/347374268.db2.gz QSHFQDWMRTYNRK-SNVBAGLBSA-N 0 0 287.279 2.721 10 30 CFEERN Cc1cnc(N(C)[C@@H](C)CC#N)c(Br)c1 ZINC000097844584 347711145 /nfs/dbraw/zinc/71/11/45/347711145.db2.gz UGEPBRPANGGIJF-VIFPVBQESA-N 0 0 268.158 2.891 10 30 CFEERN CC[C@@H](C)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000101154784 347714816 /nfs/dbraw/zinc/71/48/16/347714816.db2.gz HDXVNLIHACWOKE-MRVPVSSYSA-N 0 0 263.724 2.904 10 30 CFEERN CN(C)/C=C/C(=O)c1cn2c3c1cccc3CCC2 ZINC000117788977 347794151 /nfs/dbraw/zinc/79/41/51/347794151.db2.gz MWMCNIOUCKSJSW-CSKARUKUSA-N 0 0 254.333 2.846 10 30 CFEERN CCCCCCCCC(=O)N(C)CCC(=O)OC ZINC000103393039 185836100 /nfs/dbraw/zinc/83/61/00/185836100.db2.gz UBASIVXRZVRFEX-UHFFFAOYSA-N 0 0 257.374 2.759 10 30 CFEERN CCN[C@H](C#N)c1ccc(C)cc1Br ZINC000129642097 347863649 /nfs/dbraw/zinc/86/36/49/347863649.db2.gz ICTFVMSLKVUGLD-LLVKDONJSA-N 0 0 253.143 2.932 10 30 CFEERN C#C[C@@H](NCC)c1cc(F)ccc1Br ZINC000130170333 347867957 /nfs/dbraw/zinc/86/79/57/347867957.db2.gz ABWUUYHHIUXUQK-LLVKDONJSA-N 0 0 256.118 2.872 10 30 CFEERN O=C(C1=COCCC1)c1ncccc1Br ZINC000133055676 347889359 /nfs/dbraw/zinc/88/93/59/347889359.db2.gz HZXHHDKROCURDW-UHFFFAOYSA-N 0 0 268.110 2.721 10 30 CFEERN C=CC(=O)c1ncc(Br)cc1Br ZINC000133070849 347889506 /nfs/dbraw/zinc/88/95/06/347889506.db2.gz MRILBDCZSDANGA-UHFFFAOYSA-N 0 0 290.942 2.975 10 30 CFEERN C[C@@]1(c2ccc(Br)o2)CC(=O)C=CO1 ZINC000131854941 347881260 /nfs/dbraw/zinc/88/12/60/347881260.db2.gz XNUQRMDKBRBWAS-JTQLQIEISA-N 0 0 257.083 2.760 10 30 CFEERN CC1=C(I)C=CC(=O)[C@]1(C)F ZINC000143595144 347938283 /nfs/dbraw/zinc/93/82/83/347938283.db2.gz PRHGEDYFRABMIM-MRVPVSSYSA-N 0 0 266.053 2.563 10 30 CFEERN CC[C@](C)(O)C#C[C@@H](O)c1ccc(SC)cc1 ZINC000138260476 347915675 /nfs/dbraw/zinc/91/56/75/347915675.db2.gz RPYQXVHJQWHTIZ-KGLIPLIRSA-N 0 0 250.363 2.606 10 30 CFEERN C=CCN(CC(=O)c1ccns1)C(=O)OC(C)(C)C ZINC000150120512 347955042 /nfs/dbraw/zinc/95/50/42/347955042.db2.gz PRTRTQSNXKMGHK-UHFFFAOYSA-N 0 0 282.365 2.749 10 30 CFEERN C=CCN(CC=C)C/C(=N/O)c1ccc(F)s1 ZINC000150167656 347955740 /nfs/dbraw/zinc/95/57/40/347955740.db2.gz FOBFYLZEWDVGIC-UVTDQMKNSA-N 0 0 254.330 2.740 10 30 CFEERN Cc1ccncc1NC(=NC#N)Oc1ccccc1 ZINC000147628374 347948793 /nfs/dbraw/zinc/94/87/93/347948793.db2.gz VILSXEBFRXFIRG-UHFFFAOYSA-N 0 0 252.277 2.718 10 30 CFEERN C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086790673 179334763 /nfs/dbraw/zinc/33/47/63/179334763.db2.gz XLLWHJDAHWVYCV-SMDDNHRTSA-N 0 0 258.321 2.558 10 30 CFEERN C=C(C)[C@H](NN)c1cc(Br)ccc1C ZINC000158810370 348008683 /nfs/dbraw/zinc/00/86/83/348008683.db2.gz NFFHPQNSBKXLMK-NSHDSACASA-N 0 0 255.159 2.838 10 30 CFEERN Cc1cc(Br)cnc1-n1cccc1C#N ZINC000160442063 348017985 /nfs/dbraw/zinc/01/79/85/348017985.db2.gz FKKCNKFJHNIQPV-UHFFFAOYSA-N 0 0 262.110 2.815 10 30 CFEERN C[C@@H](CO)Sc1ccc(Br)cc1C#N ZINC000165282745 348039110 /nfs/dbraw/zinc/03/91/10/348039110.db2.gz GMFFFTSQUWYFNR-ZETCQYMHSA-N 0 0 272.167 2.794 10 30 CFEERN C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000086816009 179343685 /nfs/dbraw/zinc/34/36/85/179343685.db2.gz NRKIZALGMHMBDK-ABAIWWIYSA-N 0 0 258.321 2.558 10 30 CFEERN C#C[C@@H](C)Oc1ncc(Br)cc1Cl ZINC000235236011 348225679 /nfs/dbraw/zinc/22/56/79/348225679.db2.gz HRFAOFFBDZGCIV-ZCFIWIBFSA-N 0 0 260.518 2.898 10 30 CFEERN C#C[C@@H](C)Nc1ncc(Br)cc1Cl ZINC000235258996 348226127 /nfs/dbraw/zinc/22/61/27/348226127.db2.gz XHGURVRRNBXQIY-ZCFIWIBFSA-N 0 0 259.534 2.931 10 30 CFEERN CS(=O)(=O)OCc1cccc(Br)c1Cl ZINC000238375559 348245656 /nfs/dbraw/zinc/24/56/56/348245656.db2.gz MFKVLKNKOLIXFP-UHFFFAOYSA-N 0 0 299.573 2.579 10 30 CFEERN N#CCc1cnc(OC(F)(F)F)cc1Br ZINC000238523381 348246216 /nfs/dbraw/zinc/24/62/16/348246216.db2.gz XFMYZBZUHOHYJS-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1cc(Br)nc(OC(F)(F)F)c1 ZINC000238526176 348246444 /nfs/dbraw/zinc/24/64/44/348246444.db2.gz HAWBBEMARKMIOL-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#Cc1nc(OC(F)(F)F)ccc1Br ZINC000238532945 348246524 /nfs/dbraw/zinc/24/65/24/348246524.db2.gz VCDXCZRBOIBPCJ-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#Cc1cnc(OC(F)(F)F)cc1Br ZINC000238523182 348246596 /nfs/dbraw/zinc/24/65/96/348246596.db2.gz WUMVORSFLKKRNN-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN CCOc1cc(N(C)[C@@H](C)CC#N)c(N)cc1F ZINC000104127721 185900937 /nfs/dbraw/zinc/90/09/37/185900937.db2.gz MMKNRGPIFNETOY-VIFPVBQESA-N 0 0 251.305 2.545 10 30 CFEERN Cc1ccc(N[C@H](C)C#N)cc1I ZINC000300918085 348370686 /nfs/dbraw/zinc/37/06/86/348370686.db2.gz GKXNCPJIPBYYLW-MRVPVSSYSA-N 0 0 286.116 2.924 10 30 CFEERN C=C[C@H](N[C@@H](C)c1ccc(C)c(F)c1)C(=O)OC ZINC000302377707 348373305 /nfs/dbraw/zinc/37/33/05/348373305.db2.gz MJWSYBWPCQFVGP-GWCFXTLKSA-N 0 0 251.301 2.512 10 30 CFEERN C=C[C@H](N[C@H](C)c1ccccc1Br)C(=O)OC ZINC000304217232 348377789 /nfs/dbraw/zinc/37/77/89/348377789.db2.gz RFURCHIBBMMJIR-SKDRFNHKSA-N 0 0 298.180 2.827 10 30 CFEERN N#C[C@@]1(Cc2ccc(Br)o2)CCOC1 ZINC000306652990 348390530 /nfs/dbraw/zinc/39/05/30/348390530.db2.gz GSEOQHJZQJDQST-JTQLQIEISA-N 0 0 256.099 2.515 10 30 CFEERN C#CC[C@@H](O)c1cc(F)c(F)cc1Br ZINC000306736837 348391733 /nfs/dbraw/zinc/39/17/33/348391733.db2.gz XYPCBKWSFLHXQD-SNVBAGLBSA-N 0 0 261.065 2.784 10 30 CFEERN C[C@@H]1c2ccsc2CCN1C(=O)C#CBr ZINC000306807799 348392574 /nfs/dbraw/zinc/39/25/74/348392574.db2.gz NFJWJOXQTHCHDF-MRVPVSSYSA-N 0 0 284.178 2.550 10 30 CFEERN N#Cc1cc(Br)nc(C(F)(F)F)c1 ZINC000306822297 348393304 /nfs/dbraw/zinc/39/33/04/348393304.db2.gz NABOAORUQYLTFI-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN CCN(C(=O)C#CBr)c1cccc(F)c1 ZINC000307083264 348395811 /nfs/dbraw/zinc/39/58/11/348395811.db2.gz HZPNMPQZKACGBJ-UHFFFAOYSA-N 0 0 270.101 2.534 10 30 CFEERN O=C[C@H]1CC[C@@H](c2ccc(Br)cc2)O1 ZINC000307528518 348400156 /nfs/dbraw/zinc/40/01/56/348400156.db2.gz KEWLLNADVMJFOA-MNOVXSKESA-N 0 0 255.111 2.868 10 30 CFEERN CCc1nc(C#N)cc(N[C@H](C)COCc2ccccc2)n1 ZINC000308166341 348402609 /nfs/dbraw/zinc/40/26/09/348402609.db2.gz JFBZOVPVAMRWBE-CYBMUJFWSA-N 0 0 296.374 2.928 10 30 CFEERN Cc1cc(NC[C@@H](O)C(C)(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413135308 233022975 /nfs/dbraw/zinc/02/29/75/233022975.db2.gz JTWZFWTWZVFUEV-CYBMUJFWSA-N 0 0 277.324 2.594 10 30 CFEERN CC(=O)[C@@](C)(C#N)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087931327 179525808 /nfs/dbraw/zinc/52/58/08/179525808.db2.gz QEFXZNAYBZQXDN-GFCCVEGCSA-N 0 0 266.684 2.910 10 30 CFEERN N#C[C@]1(CCCOCC(F)(F)F)CCCCC1=O ZINC000087931026 179525826 /nfs/dbraw/zinc/52/58/26/179525826.db2.gz XJMOPNFNTJHJMO-LLVKDONJSA-N 0 0 263.259 2.999 10 30 CFEERN N#Cc1ccc(OC(F)(F)F)c(N)c1Br ZINC000396038329 348552739 /nfs/dbraw/zinc/55/27/39/348552739.db2.gz HAQMAHACRZKWBN-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN N#C[C@@]1(CC2CCOCC2)COc2ccccc2C1 ZINC000087997616 179533734 /nfs/dbraw/zinc/53/37/34/179533734.db2.gz IRNBYTODSXZFOY-INIZCTEOSA-N 0 0 257.333 2.948 10 30 CFEERN N#Cc1ccc(C(F)(F)F)c(C(N)=O)c1C(F)(F)F ZINC000514269375 348639833 /nfs/dbraw/zinc/63/98/33/348639833.db2.gz PSKLHJNFMNSIMW-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#Cc1cc(C(F)(F)F)c(C(N)=O)cc1C(F)(F)F ZINC000514269432 348639846 /nfs/dbraw/zinc/63/98/46/348639846.db2.gz VMASHFVXETWAKY-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#Cc1ccc(C(N)=O)c(C(F)(F)F)c1C(F)(F)F ZINC000514269455 348640168 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/nfs/dbraw/zinc/69/51/76/348695176.db2.gz IYQPEWLRYJPTOR-UHFFFAOYSA-N 0 0 275.445 2.682 10 30 CFEERN Cc1ccccc1C1=CC[C@H](OS(C)(=O)=O)CC1 ZINC000584631458 348696156 /nfs/dbraw/zinc/69/61/56/348696156.db2.gz RCXLDGGBDSVAJY-ZDUSSCGKSA-N 0 0 266.362 2.907 10 30 CFEERN N#C[C@@H](c1cccnc1Cl)S(=O)(=O)c1ccccc1 ZINC000584633640 348697128 /nfs/dbraw/zinc/69/71/28/348697128.db2.gz WYCQUSZYBRHLLW-LBPRGKRZSA-N 0 0 292.747 2.774 10 30 CFEERN Clc1ncnc(Cl)c1C=NNc1ccccn1 ZINC000584635713 348698051 /nfs/dbraw/zinc/69/80/51/348698051.db2.gz GKTVMOZNBMEFLK-FZSIALSZSA-N 0 0 268.107 2.624 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1ccnc(F)c1 ZINC000584636741 348698336 /nfs/dbraw/zinc/69/83/36/348698336.db2.gz AYSMZQPSPXSCNJ-CABCVRRESA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1c(F)cccc1F)[C@H](CCO)c1cnco1 ZINC000584638666 348699562 /nfs/dbraw/zinc/69/95/62/348699562.db2.gz STOQSEGOKIZYRI-VHSXEESVSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@H](c1cc(F)cc(F)c1)[C@H](CCO)c1cnco1 ZINC000584638704 348699750 /nfs/dbraw/zinc/69/97/50/348699750.db2.gz UAVRKMUXLHHFDF-QWHCGFSZSA-N 0 0 278.258 2.726 10 30 CFEERN C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CF)O1 ZINC000584640781 348700214 /nfs/dbraw/zinc/70/02/14/348700214.db2.gz WPTBOUKXAITFTJ-YPMHNXCESA-N 0 0 285.322 2.670 10 30 CFEERN COc1cccc([C@@H](C[N+](=O)[O-])[C@H](C=O)C(C)C)c1 ZINC000584654338 348702432 /nfs/dbraw/zinc/70/24/32/348702432.db2.gz XQQGSZDVPJETJP-ZIAGYGMSSA-N 0 0 265.309 2.527 10 30 CFEERN N#Cc1c(Cl)cccc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104269382 185949901 /nfs/dbraw/zinc/94/99/01/185949901.db2.gz OKDIHDPGVMWSJI-ZACCUICWSA-N 0 0 262.740 2.704 10 30 CFEERN CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1C#N ZINC000089194858 179750344 /nfs/dbraw/zinc/75/03/44/179750344.db2.gz UBXMQARTMWZVEP-UHFFFAOYSA-N 0 0 276.340 2.553 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc2ccncc21 ZINC000592772497 349165204 /nfs/dbraw/zinc/16/52/04/349165204.db2.gz LACUVMCJPPAERC-IUODEOHRSA-N 0 0 265.316 2.657 10 30 CFEERN COCc1csc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000597082941 350027122 /nfs/dbraw/zinc/02/71/22/350027122.db2.gz OPFRRXIKCSBLIZ-YPMHNXCESA-N 0 0 250.367 2.676 10 30 CFEERN N#C[C@@H]1CCCC[C@@H]1NCc1nc2c(s1)CCC2 ZINC000597199084 350053300 /nfs/dbraw/zinc/05/33/00/350053300.db2.gz RLSHVGLALYEBDO-QWRGUYRKSA-N 0 0 261.394 2.804 10 30 CFEERN CC(=O)c1ccc(C#Cc2cc(C)oc(=O)c2)cc1 ZINC000090411748 179982511 /nfs/dbraw/zinc/98/25/11/179982511.db2.gz WDRTXSBNMYMWED-UHFFFAOYSA-N 0 0 252.269 2.551 10 30 CFEERN N#Cc1ccc(N[C@H]2CCC[C@@H](O)C2)cc1Cl ZINC000609500908 351504456 /nfs/dbraw/zinc/50/44/56/351504456.db2.gz PONCOUUBKBXTML-CMPLNLGQSA-N 0 0 250.729 2.927 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000610496116 351571819 /nfs/dbraw/zinc/57/18/19/351571819.db2.gz QKSTXNSIMLPRCM-HOTGVXAUSA-N 0 0 293.370 2.958 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 ZINC000610499274 351573418 /nfs/dbraw/zinc/57/34/18/351573418.db2.gz RDHONBAJOHERQR-RISCZKNCSA-N 0 0 292.766 2.917 10 30 CFEERN N#Cc1cc2c(nc1N[C@H]1CCC[C@H](O)C1)CCCC2 ZINC000611227245 351653423 /nfs/dbraw/zinc/65/34/23/351653423.db2.gz UEVCCYZOFFRDCH-KBPBESRZSA-N 0 0 271.364 2.547 10 30 CFEERN N#Cc1cc(CN2CCC(c3nccs3)CC2)ccn1 ZINC000610992342 351629701 /nfs/dbraw/zinc/62/97/01/351629701.db2.gz WKRNMWVARMPQQL-UHFFFAOYSA-N 0 0 284.388 2.789 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1nc2c(s1)CCCC2 ZINC000612586457 351839460 /nfs/dbraw/zinc/83/94/60/351839460.db2.gz VVKQRCZTCJLXER-QWRGUYRKSA-N 0 0 261.394 2.804 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1nc2c(s1)CCCC2 ZINC000612586456 351839978 /nfs/dbraw/zinc/83/99/78/351839978.db2.gz VVKQRCZTCJLXER-MNOVXSKESA-N 0 0 261.394 2.804 10 30 CFEERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000122759875 187049933 /nfs/dbraw/zinc/04/99/33/187049933.db2.gz NGZKZHOULRXZPR-OAHLLOKOSA-N 0 0 284.363 2.839 10 30 CFEERN N#Cc1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)cc1 ZINC000124093344 187122141 /nfs/dbraw/zinc/12/21/41/187122141.db2.gz PJHPWWNLRSDUJT-MRXNPFEDSA-N 0 0 295.342 2.733 10 30 CFEERN Cc1ccc(S(=O)(=O)OCC#CCC(C)C)cc1 ZINC000616222587 352306641 /nfs/dbraw/zinc/30/66/41/352306641.db2.gz MCJOXOYMJDIPAK-UHFFFAOYSA-N 0 0 266.362 2.750 10 30 CFEERN CC#CCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000135017205 539847716 /nfs/dbraw/zinc/84/77/16/539847716.db2.gz GHSZDMQZKLDXKI-JTQLQIEISA-N 0 0 295.180 2.833 10 30 CFEERN C=CCN(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000153520515 188087075 /nfs/dbraw/zinc/08/70/75/188087075.db2.gz CCHLKABZCATSRH-SECBINFHSA-N 0 0 254.280 2.853 10 30 CFEERN C#CCCCCNC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000156290312 188252907 /nfs/dbraw/zinc/25/29/07/188252907.db2.gz UUSJPDXBNQTOCC-ZDUSSCGKSA-N 0 0 259.349 2.718 10 30 CFEERN C=C(C)CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000156363103 188257564 /nfs/dbraw/zinc/25/75/64/188257564.db2.gz KHLVPIRQBARXHD-CYBMUJFWSA-N 0 0 277.324 2.921 10 30 CFEERN C=CCN(C)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161942588 188551604 /nfs/dbraw/zinc/55/16/04/188551604.db2.gz MKSNUSSHQIBGPT-STQMWFEESA-N 0 0 296.411 2.714 10 30 CFEERN N#Cc1cc(N2CCn3ccnc3C2)ccc1C(F)(F)F ZINC000164462465 283108383 /nfs/dbraw/zinc/10/83/83/283108383.db2.gz QQJAWEPJRVGTOP-UHFFFAOYSA-N 0 0 292.264 2.794 10 30 CFEERN C[C@H]1C[C@@H](O)CN(c2ccc(Br)cc2C#N)C1 ZINC000335236632 291088778 /nfs/dbraw/zinc/08/87/78/291088778.db2.gz KGFJVBUXTNTPBI-JOYOIKCWSA-N 0 0 295.180 2.528 10 30 CFEERN N#Cc1sc(N2CCO[C@@H]3CCCC[C@H]32)nc1Cl ZINC000279546395 283260573 /nfs/dbraw/zinc/26/05/73/283260573.db2.gz WDUVKSGWKVXXGY-RKDXNWHRSA-N 0 0 283.784 2.816 10 30 CFEERN Nc1ccc(Br)c(C#CC(F)(F)F)c1 ZINC000675078639 540675672 /nfs/dbraw/zinc/67/56/72/540675672.db2.gz HUAGOHBTKZNNMO-UHFFFAOYSA-N 0 0 264.044 2.945 10 30 CFEERN COC(=O)c1cc2c(ncc(C#N)c2Cl)s1 ZINC000204383113 540772916 /nfs/dbraw/zinc/77/29/16/540772916.db2.gz GOXHVDFLRBTQQS-UHFFFAOYSA-N 0 0 252.682 2.608 10 30 CFEERN N#Cc1nccnc1NCC1(c2ccccc2F)CC1 ZINC000301266240 200957020 /nfs/dbraw/zinc/95/70/20/200957020.db2.gz HVCHLIIQHQVXQD-UHFFFAOYSA-N 0 0 268.295 2.631 10 30 CFEERN N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)c[nH]1 ZINC000181324673 189293910 /nfs/dbraw/zinc/29/39/10/189293910.db2.gz YIZWGJYVROSYTK-GFCCVEGCSA-N 0 0 286.360 2.710 10 30 CFEERN Cc1cc(NC[C@@H](C)CC2(C)OCCO2)c(C#N)c(C)n1 ZINC000301676591 201131683 /nfs/dbraw/zinc/13/16/83/201131683.db2.gz QEPCMGWEUNWSJN-NSHDSACASA-N 0 0 289.379 2.771 10 30 CFEERN N#Cc1ccc(NCCc2nc3cc(F)ccc3[nH]2)cn1 ZINC000301741310 201169774 /nfs/dbraw/zinc/16/97/74/201169774.db2.gz YAEVYCKONYKSPG-UHFFFAOYSA-N 0 0 281.294 2.623 10 30 CFEERN N#Cc1c(Cl)nsc1N(CCO)Cc1ccsc1 ZINC000301847017 201228839 /nfs/dbraw/zinc/22/88/39/201228839.db2.gz UONCLWFVYYCKPB-UHFFFAOYSA-N 0 0 299.808 2.729 10 30 CFEERN Nc1ncc(Br)cc1C#Cc1ccccc1 ZINC000095931338 283694566 /nfs/dbraw/zinc/69/45/66/283694566.db2.gz PGXQOWSVIDMNLS-UHFFFAOYSA-N 0 0 273.133 2.826 10 30 CFEERN N#Cc1ccc(N[C@H](Cc2ccccc2)C(F)(F)F)nn1 ZINC000301958748 201277062 /nfs/dbraw/zinc/27/70/62/201277062.db2.gz LRINQXFFMFQNQX-GFCCVEGCSA-N 0 0 292.264 2.934 10 30 CFEERN 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2.565 10 30 CFEERN CCOc1cc(OC(F)F)c(CC#N)c([N+](=O)[O-])c1 ZINC000575657735 382779983 /nfs/dbraw/zinc/77/99/83/382779983.db2.gz LRDPJINPDVGMRF-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c([N+](=O)[O-])ccc(CC#N)c1OC(F)F ZINC000575658860 382780566 /nfs/dbraw/zinc/78/05/66/382780566.db2.gz SPEBGWJRWJFVFZ-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(CC#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575659750 382780716 /nfs/dbraw/zinc/78/07/16/382780716.db2.gz XZHHMRRCYBITOT-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN N#CCc1cc(O)c(OC(F)(F)F)cc1OC(F)F ZINC000575661231 382780975 /nfs/dbraw/zinc/78/09/75/382780975.db2.gz BFYPKWSCFVEDPI-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#Cc1cc(OC(F)F)c(O)cc1OC(F)(F)F ZINC000575661321 382780990 /nfs/dbraw/zinc/78/09/90/382780990.db2.gz FCKBGOKGCJTVBB-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cc(OC(F)F)c1O ZINC000575661839 382781522 /nfs/dbraw/zinc/78/15/22/382781522.db2.gz NEHOARCRDGMCSL-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cc(O)c1OC(F)F ZINC000575661505 382781704 /nfs/dbraw/zinc/78/17/04/382781704.db2.gz HNHYNWWIGYQALY-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCOc1cc(C(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575666170 382782298 /nfs/dbraw/zinc/78/22/98/382782298.db2.gz KSQMKCLYWOFJKR-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#Cc1c(OC(F)F)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575665377 382782359 /nfs/dbraw/zinc/78/23/59/382782359.db2.gz CSZOUMFFZISVMC-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1cc(C)cc(C#N)c1I ZINC000575670472 382783579 /nfs/dbraw/zinc/78/35/79/382783579.db2.gz IKCPVFFFRBBMCV-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(C)c(C#N)cc1I ZINC000575670098 382783600 /nfs/dbraw/zinc/78/36/00/382783600.db2.gz DQLRSKWNHPIVOU-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(C#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575670101 382783643 /nfs/dbraw/zinc/78/36/43/382783643.db2.gz DURLOTRMXXDEAB-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OCC)cc1OC(F)F ZINC000575670500 382783686 /nfs/dbraw/zinc/78/36/86/382783686.db2.gz JSIOQBXWZBRZFM-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1c(C#N)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575670081 382783693 /nfs/dbraw/zinc/78/36/93/382783693.db2.gz COHBLNVIHQLFLH-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1c(C)ccc(I)c1C#N ZINC000575671741 382783860 /nfs/dbraw/zinc/78/38/60/382783860.db2.gz WIJSVXVKHCDCJA-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1ccc(I)c(C)c1C#N ZINC000575671276 382783946 /nfs/dbraw/zinc/78/39/46/382783946.db2.gz PWXRZHPIKRHASV-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575671442 382784002 /nfs/dbraw/zinc/78/40/02/382784002.db2.gz RXSUQPJAJINUKE-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN N#CCc1cc(Br)c(O)cc1OC(F)F ZINC000575682526 382786200 /nfs/dbraw/zinc/78/62/00/382786200.db2.gz VZEFEDBXSXARSA-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN CCc1cc(CC#N)c(N)cc1I ZINC000575718012 382795273 /nfs/dbraw/zinc/79/52/73/382795273.db2.gz NTSPFDWXIKSSAG-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#Cc1cc(OC(F)F)cc(Br)c1[N+](=O)[O-] ZINC000575684774 382787536 /nfs/dbraw/zinc/78/75/36/382787536.db2.gz HXDLHUQDEGHQHY-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1cc(OC(F)F)cc(C(F)(F)F)c1N ZINC000575716534 382795298 /nfs/dbraw/zinc/79/52/98/382795298.db2.gz FFWRTPZTWVEQNM-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1cc(Br)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575688228 382788664 /nfs/dbraw/zinc/78/86/64/382788664.db2.gz VSIZWPAGSLGRMM-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN Cc1ccc(I)c(F)c1CC#N ZINC000575705205 382792267 /nfs/dbraw/zinc/79/22/67/382792267.db2.gz KMBLJXBBGJREJT-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN Cc1cc(I)cc(CC#N)c1F ZINC000575705902 382792364 /nfs/dbraw/zinc/79/23/64/382792364.db2.gz RRFRTXQQPGAEFB-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN COC(=O)c1cc(Cl)c(OC(F)F)cc1C#N ZINC000575342977 382759303 /nfs/dbraw/zinc/75/93/03/382759303.db2.gz FFUPLJHXOJOOMI-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1Cl ZINC000575342991 382759324 /nfs/dbraw/zinc/75/93/24/382759324.db2.gz IYEJYZUZOCJVFY-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1OC(F)F ZINC000575343045 382759701 /nfs/dbraw/zinc/75/97/01/382759701.db2.gz XEDJBGAMLPBQHU-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(OC)c1C(F)F ZINC000575343599 382759724 /nfs/dbraw/zinc/75/97/24/382759724.db2.gz OPKMKTJHMYTSCF-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN COC(=O)c1cc(Cl)c(C#N)cc1OC(F)F ZINC000575343029 382759782 /nfs/dbraw/zinc/75/97/82/382759782.db2.gz UCPJFRGNSNYJLN-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)F)c1C#N ZINC000575344024 382759955 /nfs/dbraw/zinc/75/99/55/382759955.db2.gz MRHMVRFGHGBGOD-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc(C)c1C#N ZINC000575344164 382760097 /nfs/dbraw/zinc/76/00/97/382760097.db2.gz RZDMXZGVMGQEAV-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1 ZINC000575345202 382760301 /nfs/dbraw/zinc/76/03/01/382760301.db2.gz HFWBCEONBDAOMM-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)c1cc(F)c(C#N)c(C(F)(F)F)c1 ZINC000575345040 382760383 /nfs/dbraw/zinc/76/03/83/382760383.db2.gz QWLYRFVOCLQUKF-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)ccc1C#N ZINC000575344960 382760444 /nfs/dbraw/zinc/76/04/44/382760444.db2.gz KLYLEEVALDRDNJ-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN COC(=O)CCCCC(=O)c1ccc(C#N)c(F)c1 ZINC000575361849 382761402 /nfs/dbraw/zinc/76/14/02/382761402.db2.gz NNHIUKKLVPJBSV-UHFFFAOYSA-N 0 0 263.268 2.613 10 30 CFEERN C#C[C@H](C)Nc1ccc(OC)c(Br)c1 ZINC000229537213 382851797 /nfs/dbraw/zinc/85/17/97/382851797.db2.gz SWRAXFCNQFSBKN-QMMMGPOBSA-N 0 0 254.127 2.891 10 30 CFEERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000227760263 382840632 /nfs/dbraw/zinc/84/06/32/382840632.db2.gz CYPXJKKXYMVYMR-AAEUAGOBSA-N 0 0 275.308 2.836 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)c(F)cc1F ZINC000230686447 382862252 /nfs/dbraw/zinc/86/22/52/382862252.db2.gz BGRYUBABVFBTBX-AMIZOPFISA-N 0 0 254.255 2.886 10 30 CFEERN C=CC(=O)c1cccc(C)c1I ZINC000235776380 382888081 /nfs/dbraw/zinc/88/80/81/382888081.db2.gz HWLKHBSDCNQOJE-UHFFFAOYSA-N 0 0 272.085 2.968 10 30 CFEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)s1 ZINC000245513129 383003967 /nfs/dbraw/zinc/00/39/67/383003967.db2.gz BWVSACQWEQGTQK-KGLIPLIRSA-N 0 0 262.378 2.763 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248609520 383271010 /nfs/dbraw/zinc/27/10/10/383271010.db2.gz FMIKGNLLDLLZPO-DZKIICNBSA-N 0 0 265.397 2.742 10 30 CFEERN ON=C1COc2cc(OCc3ccccc3)ccc21 ZINC000252449676 383408336 /nfs/dbraw/zinc/40/83/36/383408336.db2.gz WZUNJPLWAMCCSP-UHFFFAOYSA-N 0 0 255.273 2.836 10 30 CFEERN CCCCCCCS(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000195280171 262248555 /nfs/dbraw/zinc/24/85/55/262248555.db2.gz ZPFQSPVKRHDNFI-OAHLLOKOSA-N 0 0 299.436 2.610 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)cn1)[C@H](C)C2 ZINC000181238463 413055418 /nfs/dbraw/zinc/05/54/18/413055418.db2.gz PXBSSYFCQMTOTA-SJKOYZFVSA-N 0 0 291.354 2.925 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000182341988 393508835 /nfs/dbraw/zinc/50/88/35/393508835.db2.gz JPBJGSOCKXFNRZ-UWVGGRQHSA-N 0 0 265.744 2.860 10 30 CFEERN CCN(C(=O)[C@H]1CCCO[C@@H]1C)c1ccc(C#N)cc1 ZINC000191910537 393611228 /nfs/dbraw/zinc/61/12/28/393611228.db2.gz XFQKZWSKLLXLNW-DOMZBBRYSA-N 0 0 272.348 2.726 10 30 CFEERN N#Cc1cc(C(F)(F)F)ccc1NCC1CC(O)C1 ZINC000091525523 393782901 /nfs/dbraw/zinc/78/29/01/393782901.db2.gz ZRDORTKHWRPUJE-UHFFFAOYSA-N 0 0 270.254 2.760 10 30 CFEERN COC[C@H](C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000130748315 394118367 /nfs/dbraw/zinc/11/83/67/394118367.db2.gz XROJSVGNQYYTLF-NSHDSACASA-N 0 0 276.336 2.566 10 30 CFEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000132829088 394164169 /nfs/dbraw/zinc/16/41/69/394164169.db2.gz SDADVHYSMXJQAK-PELKAZGASA-N 0 0 298.264 2.941 10 30 CFEERN N#Cc1ccc(N2CCC[C@@H](CO)C2)c2ccccc12 ZINC000038438300 134748050 /nfs/dbraw/zinc/74/80/50/134748050.db2.gz UVBKGEOSKSCVAA-CYBMUJFWSA-N 0 0 266.344 2.920 10 30 CFEERN C=CCC(CC=C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000150776358 394252987 /nfs/dbraw/zinc/25/29/87/394252987.db2.gz QRWIQSFSNGQEQI-UHFFFAOYSA-N 0 0 273.380 2.884 10 30 CFEERN N#Cc1cc(CN2CC[C@H](Oc3cccnc3)C2)ccc1F ZINC000152227800 394273414 /nfs/dbraw/zinc/27/34/14/394273414.db2.gz YWZNXEYWMRWAMI-INIZCTEOSA-N 0 0 297.333 2.746 10 30 CFEERN CCCO[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000042425020 134891655 /nfs/dbraw/zinc/89/16/55/134891655.db2.gz AZNZVPPYEIXQAM-CQSZACIVSA-N 0 0 273.380 2.966 10 30 CFEERN C[C@@H]1c2ccsc2CCN1c1ncc(N)cc1C#N ZINC000042740634 134896222 /nfs/dbraw/zinc/89/62/22/134896222.db2.gz WIYSKCMTBXLYRJ-SECBINFHSA-N 0 0 270.361 2.721 10 30 CFEERN CC(C)(C#N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174864749 394380016 /nfs/dbraw/zinc/38/00/16/394380016.db2.gz YUUKANWZJQRMBH-LSDHHAIUSA-N 0 0 286.375 2.651 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000178574967 394389376 /nfs/dbraw/zinc/38/93/76/394389376.db2.gz HCPRAENPLDMPCT-DZGCQCFKSA-N 0 0 287.363 2.539 10 30 CFEERN COC(=O)[C@H]1O[C@]1(C)c1c(Cl)cccc1Cl ZINC000400894961 542993389 /nfs/dbraw/zinc/99/33/89/542993389.db2.gz KLEYSHDKYFZBOY-MWLCHTKSSA-N 0 0 261.104 2.780 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000181097777 543019430 /nfs/dbraw/zinc/01/94/30/543019430.db2.gz BUXCKNSPHIJPFB-MJBXVCDLSA-N 0 0 268.401 2.582 10 30 CFEERN C=CC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405506999 543019843 /nfs/dbraw/zinc/01/98/43/543019843.db2.gz PZKKIHHTKFVDDB-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN C=C(C)CC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405560345 543021007 /nfs/dbraw/zinc/02/10/07/543021007.db2.gz FMHBTUHGTHRNAN-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000405660928 543021943 /nfs/dbraw/zinc/02/19/43/543021943.db2.gz XQTSRHYEAOQPBR-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000405693037 543022638 /nfs/dbraw/zinc/02/26/38/543022638.db2.gz RJGFCOUDCNSAGM-QWRGUYRKSA-N 0 0 253.342 2.825 10 30 CFEERN C#CC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000405908570 543026280 /nfs/dbraw/zinc/02/62/80/543026280.db2.gz HVEXGWUEVURTGC-NSHDSACASA-N 0 0 265.334 2.516 10 30 CFEERN C#CCCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406024259 543028836 /nfs/dbraw/zinc/02/88/36/543028836.db2.gz PKCVARHCTVKRAI-CYBMUJFWSA-N 0 0 273.332 2.674 10 30 CFEERN C=C(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406059375 543029443 /nfs/dbraw/zinc/02/94/43/543029443.db2.gz JOKOSICVLDSSOT-NSHDSACASA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406077450 543029567 /nfs/dbraw/zinc/02/95/67/543029567.db2.gz UTWDKSDZARTXRX-GHMZBOCLSA-N 0 0 253.342 2.825 10 30 CFEERN CCn1c(C)nnc1COc1ccc(C#N)cc1Cl ZINC000355907097 155132772 /nfs/dbraw/zinc/13/27/72/155132772.db2.gz WPSHYDWEQDYBHN-UHFFFAOYSA-N 0 0 276.727 2.711 10 30 CFEERN CCO/N=C/[C@](F)(Cc1ccccc1)C(=O)OCC ZINC000584596947 397585765 /nfs/dbraw/zinc/58/57/65/397585765.db2.gz UWFPIMAZLCHWBN-DSQDWWTGSA-N 0 0 267.300 2.523 10 30 CFEERN C=CC[C@@H]1CCC[N@@H+](Cc2ncccc2C(=O)[O-])C1 ZINC000656759365 413186112 /nfs/dbraw/zinc/18/61/12/413186112.db2.gz DPDIJUYXDGIZIC-GFCCVEGCSA-N 0 0 260.337 2.568 10 30 CFEERN N#Cc1cnccc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000373459716 156996927 /nfs/dbraw/zinc/99/69/27/156996927.db2.gz GLESKOFIQUSTJR-LBPRGKRZSA-N 0 0 295.346 2.598 10 30 CFEERN Cc1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1C#N ZINC000190089821 161529870 /nfs/dbraw/zinc/52/98/70/161529870.db2.gz LBJFQOGYAQCTJR-KBPBESRZSA-N 0 0 299.399 2.536 10 30 CFEERN C[C@@H](COCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352811140 163238630 /nfs/dbraw/zinc/23/86/30/163238630.db2.gz QWGXQBUGZSCAMV-LBPRGKRZSA-N 0 0 287.388 2.710 10 30 CFEERN CC(=O)N(C)c1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000004956461 170045123 /nfs/dbraw/zinc/04/51/23/170045123.db2.gz GZABSBJFHYNJEF-LICLKQGHSA-N 0 0 284.315 2.831 10 30 CFEERN CC1=C/C(=N\NC(=S)NCc2ccccc2)CC1 ZINC000005119850 170068096 /nfs/dbraw/zinc/06/80/96/170068096.db2.gz VRQNIXXYXDJWQS-SSZFMOIBSA-N 0 0 259.378 2.747 10 30 CFEERN CCCCNC(=S)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000005119835 170068105 /nfs/dbraw/zinc/06/81/05/170068105.db2.gz IKMSOJGHTWEURF-XNTDXEJSSA-N 0 0 294.380 2.583 10 30 CFEERN COc1ccc(OC)c(/N=C/c2ccc(O)cc2O)c1 ZINC000005513149 170106121 /nfs/dbraw/zinc/10/61/21/170106121.db2.gz WQCUWDPIRIHBSM-CXUHLZMHSA-N 0 0 273.288 2.866 10 30 CFEERN CC(=O)C(=NNc1ccccc1)NNc1ccc(C)cc1 ZINC000005541374 170110725 /nfs/dbraw/zinc/11/07/25/170110725.db2.gz XAXWLWBTTXHFEZ-UHFFFAOYSA-N 0 0 282.347 2.926 10 30 CFEERN N#Cc1cn(Cc2cccc(C(F)(F)F)c2)nc1[N+](=O)[O-] ZINC000005713932 170132216 /nfs/dbraw/zinc/13/22/16/170132216.db2.gz UABVHNCNXVVGMT-UHFFFAOYSA-N 0 0 296.208 2.730 10 30 CFEERN N#Cc1c(N)cccc1S(=O)(=O)c1cccc(Cl)c1 ZINC000005933077 170157171 /nfs/dbraw/zinc/15/71/71/170157171.db2.gz AJPMQLQIJVLDJP-UHFFFAOYSA-N 0 0 292.747 2.627 10 30 in-vivo CFEERN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000006201363 170182055 /nfs/dbraw/zinc/18/20/55/170182055.db2.gz MEWKCOKPARYUAZ-VXGBXAGGSA-N 0 0 278.377 2.510 10 30 CFEERN Fc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000006566324 170214363 /nfs/dbraw/zinc/21/43/63/170214363.db2.gz RHFAVFGZCFNGGQ-VGOFMYFVSA-N 0 0 250.664 2.715 10 30 CFEERN COc1cccc(C=NNc2ccc(F)cc2)c1O ZINC000006674985 170225233 /nfs/dbraw/zinc/22/52/33/170225233.db2.gz VIZKNAPBLQZEFS-CXUHLZMHSA-N 0 0 260.268 2.986 10 30 CFEERN Cc1nc(C#N)c(N=NCc2ccccc2Cl)o1 ZINC000006861438 170250761 /nfs/dbraw/zinc/25/07/61/170250761.db2.gz MVXSIGVTLJQDFK-VIZOYTHASA-N 0 0 260.684 2.954 10 30 CFEERN COc1ccc(O)c(C=NNc2ccc(F)cc2)c1 ZINC000007949143 170309175 /nfs/dbraw/zinc/30/91/75/170309175.db2.gz UFUFNIMBADJGFF-CXUHLZMHSA-N 0 0 260.268 2.986 10 30 CFEERN C=CCNC(=O)c1ccc(-c2c(C)noc2C)s1 ZINC000008536060 170338980 /nfs/dbraw/zinc/33/89/80/170338980.db2.gz VMLAVMFCLGBOSZ-UHFFFAOYSA-N 0 0 262.334 2.936 10 30 CFEERN C=C(C)CNC(=S)N=NC(C)c1ccc(OC)cc1 ZINC000008774713 170355147 /nfs/dbraw/zinc/35/51/47/170355147.db2.gz UMMYMWVAVAFBMI-LFIBNONCSA-N 0 0 277.393 2.871 10 30 CFEERN C=CCNC(=S)NC(=O)c1ccc(O[C@H](C)CC)cc1 ZINC000010293949 170403527 /nfs/dbraw/zinc/40/35/27/170403527.db2.gz YYDJEUREEHIKIY-LLVKDONJSA-N 0 0 292.404 2.654 10 30 CFEERN COc1cccc(CN=NC(=S)Nc2cccnc2)c1 ZINC000013636232 170571035 /nfs/dbraw/zinc/57/10/35/170571035.db2.gz CEBGMERQJUURQS-CXUHLZMHSA-N 0 0 286.360 2.822 10 30 CFEERN C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@@H](C)O)=CC[C@@H]12 ZINC000014620396 170639272 /nfs/dbraw/zinc/63/92/72/170639272.db2.gz KQEADOUDJYBGFC-GIFSMMMISA-N 0 0 250.338 2.602 10 30 CFEERN Cc1ccc(OCc2ccc(/C(N)=N/O)cc2F)cc1 ZINC000019473011 170806141 /nfs/dbraw/zinc/80/61/41/170806141.db2.gz FXUNNJMRMIHKQA-UHFFFAOYSA-N 0 0 274.295 2.808 10 30 CFEERN COc1ccc(N)cc1OCc1ccccc1C#N ZINC000019477927 170808657 /nfs/dbraw/zinc/80/86/57/170808657.db2.gz IXOUOVKVOKETLE-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN C[C@H]1Cc2ccccc2N1Cc1ccc(/C(N)=N/O)cc1 ZINC000019808317 170877245 /nfs/dbraw/zinc/87/72/45/170877245.db2.gz FSGCCEHLZSDMRZ-LBPRGKRZSA-N 0 0 281.359 2.732 10 30 CFEERN Cc1ccc(OCc2cccc(/C(N)=N/O)c2)c(C)c1 ZINC000019808463 170877264 /nfs/dbraw/zinc/87/72/64/170877264.db2.gz YMCLOKWKXCLLAK-UHFFFAOYSA-N 0 0 270.332 2.977 10 30 CFEERN CN(CCC#N)c1c(F)c(F)c(F)c(F)c1F ZINC000019834352 170883947 /nfs/dbraw/zinc/88/39/47/170883947.db2.gz HZMIYMLIKCVCCX-UHFFFAOYSA-N 0 0 250.170 2.732 10 30 CFEERN C#Cc1cccc(N[C@H]2COc3cc(O)ccc32)c1 ZINC000019876981 170905829 /nfs/dbraw/zinc/90/58/29/170905829.db2.gz WGHPTIFHZXVEIQ-HNNXBMFYSA-N 0 0 251.285 2.919 10 30 CFEERN CC(C)c1nccn1CCC(=O)Nc1ccccc1C#N ZINC000020030507 170973888 /nfs/dbraw/zinc/97/38/88/170973888.db2.gz WGOHLBPBLGUYFP-UHFFFAOYSA-N 0 0 282.347 2.907 10 30 CFEERN N#C[C@@H](NC1CCCCC1)c1ccc2c(c1)OCO2 ZINC000020175730 171041827 /nfs/dbraw/zinc/04/18/27/171041827.db2.gz MHFQVHJRWVGQGP-CYBMUJFWSA-N 0 0 258.321 2.902 10 30 CFEERN COCCCN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175250 171041843 /nfs/dbraw/zinc/04/18/43/171041843.db2.gz OGSQGEJQXIJKRY-NSHDSACASA-N 0 0 256.708 2.670 10 30 CFEERN C=CCN[C@@H](C#N)c1cccc(Br)c1 ZINC000020176147 171042426 /nfs/dbraw/zinc/04/24/26/171042426.db2.gz SDECNPYAOSEOED-NSHDSACASA-N 0 0 251.127 2.789 10 30 CFEERN COc1cc([C@@H](C#N)NC2CCCC2)cc(OC)c1OC ZINC000020176096 171042470 /nfs/dbraw/zinc/04/24/70/171042470.db2.gz QHSDOYBBVJATBX-CYBMUJFWSA-N 0 0 290.363 2.809 10 30 CFEERN N#C[C@H](NCCCO)c1c(Cl)cccc1Cl ZINC000020177126 171042885 /nfs/dbraw/zinc/04/28/85/171042885.db2.gz ZIJXIOCWORCOAK-JTQLQIEISA-N 0 0 259.136 2.530 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1cccc(Br)c1 ZINC000020312423 171144756 /nfs/dbraw/zinc/14/47/56/171144756.db2.gz GZBCSYKBZRTCCN-VIFPVBQESA-N 0 0 283.169 2.552 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1C ZINC000020316611 171147378 /nfs/dbraw/zinc/14/73/78/171147378.db2.gz ORHIFOMWKIRUFD-JTQLQIEISA-N 0 0 252.745 2.751 10 30 CFEERN C[C@H](C(=O)N1CCCCC1)N(CCC#N)c1ccccc1 ZINC000020358713 171157637 /nfs/dbraw/zinc/15/76/37/171157637.db2.gz YDOWZZUPVYCDTD-OAHLLOKOSA-N 0 0 285.391 2.808 10 30 CFEERN C=CCn1c(SCCC)nnc1C(F)(F)F ZINC000020839946 171275399 /nfs/dbraw/zinc/27/53/99/171275399.db2.gz ZOPOARKTWVZAGG-UHFFFAOYSA-N 0 0 251.277 2.985 10 30 CFEERN C[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1C#N ZINC000021810291 171328958 /nfs/dbraw/zinc/32/89/58/171328958.db2.gz PLUBSSAWRYMABA-SWLSCSKDSA-N 0 0 292.404 2.556 10 30 CFEERN N#Cc1ccccc1NCC(=O)N1CCc2sccc2C1 ZINC000035099798 171977564 /nfs/dbraw/zinc/97/75/64/171977564.db2.gz GYIRZICICDQHFM-UHFFFAOYSA-N 0 0 297.383 2.617 10 30 CFEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCC ZINC000035144402 172009870 /nfs/dbraw/zinc/00/98/70/172009870.db2.gz AZLMVCYXDYZHHQ-UHFFFAOYSA-N 0 0 271.364 2.681 10 30 CFEERN N#CCCn1nc(-c2ccccc2Br)cc1N ZINC000035277021 172097057 /nfs/dbraw/zinc/09/70/57/172097057.db2.gz LTDWVBREULTNRS-UHFFFAOYSA-N 0 0 291.152 2.808 10 30 CFEERN CC[C@@H](C/C(N)=N/O)Sc1ccccc1[N+](=O)[O-] ZINC000035286757 172105356 /nfs/dbraw/zinc/10/53/56/172105356.db2.gz RWAQLFJNDZVZMH-QMMMGPOBSA-N 0 0 269.326 2.602 10 30 CFEERN C[C@H]1CSC(Nc2ccc(C#N)c(Cl)c2)=N1 ZINC000035295304 172106991 /nfs/dbraw/zinc/10/69/91/172106991.db2.gz VPMAXNLNUDCIAZ-ZETCQYMHSA-N 0 0 251.742 2.924 10 30 CFEERN C=C(C)n1c2ccccc2n(CCCC(=O)OCC)c1=O ZINC000035644716 172322375 /nfs/dbraw/zinc/32/23/75/172322375.db2.gz OJACLUBSYIHTEB-UHFFFAOYSA-N 0 0 288.347 2.637 10 30 in-vitro CFEERN COc1ccccc1CNc1ccc(C#N)cc1N ZINC000035674324 172345178 /nfs/dbraw/zinc/34/51/78/172345178.db2.gz OFJHGSOYHTTYFF-UHFFFAOYSA-N 0 0 253.305 2.761 10 30 CFEERN N#CC1(S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC000035676799 172347920 /nfs/dbraw/zinc/34/79/20/172347920.db2.gz BRXVONGSYVVKNE-UHFFFAOYSA-N 0 0 271.288 2.575 10 30 CFEERN N#Cc1cccc(NC(=O)c2cc(F)ccc2N)c1 ZINC000037009682 172867917 /nfs/dbraw/zinc/86/79/17/172867917.db2.gz SIKFUXNTCFIXIX-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN C=CCN(CC=C)C(=O)CSc1ccc(N)cc1 ZINC000037182105 173014558 /nfs/dbraw/zinc/01/45/58/173014558.db2.gz IRKNYWZQUGYSDF-UHFFFAOYSA-N 0 0 262.378 2.562 10 30 CFEERN N#Cc1ccc(NCc2c[nH]nc2-c2cccnc2)cc1 ZINC000037212166 173033758 /nfs/dbraw/zinc/03/37/58/173033758.db2.gz YVMWPORTOVWWFV-UHFFFAOYSA-N 0 0 275.315 2.955 10 30 CFEERN C=CCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247271 173060363 /nfs/dbraw/zinc/06/03/63/173060363.db2.gz FVHSNTMYSQBQAF-UHFFFAOYSA-N 0 0 275.091 2.817 10 30 CFEERN CCOCCC(=O)[C@H](C#N)c1ccc(C)c(OC)c1 ZINC000037347277 173144207 /nfs/dbraw/zinc/14/42/07/173144207.db2.gz FFHAWNMZFXGSMA-CYBMUJFWSA-N 0 0 261.321 2.607 10 30 CFEERN Cc1ccc2c(c1)C(=O)N(c1ccccc1C#N)C2=O ZINC000037383235 173168141 /nfs/dbraw/zinc/16/81/41/173168141.db2.gz LKDAHLZIGHWLMU-UHFFFAOYSA-N 0 0 262.268 2.667 10 30 CFEERN N#Cc1cccc(NC[C@H](O)c2ccc(F)cc2)c1 ZINC000037857153 173807968 /nfs/dbraw/zinc/80/79/68/173807968.db2.gz FMSNWRKXUGBCOU-HNNXBMFYSA-N 0 0 256.280 2.843 10 30 CFEERN N#C[C@@H](Nc1cccc(F)c1)c1ccc(O)c(O)c1 ZINC000037936932 173877718 /nfs/dbraw/zinc/87/77/18/173877718.db2.gz BYKDMVHUXSEKHE-GFCCVEGCSA-N 0 0 258.252 2.914 10 30 CFEERN COc1ccc(N)cc1CNc1nc(C)cc(C)c1C#N ZINC000038033484 174031170 /nfs/dbraw/zinc/03/11/70/174031170.db2.gz LXNCILXJSZHZPE-UHFFFAOYSA-N 0 0 282.347 2.773 10 30 CFEERN CC[C@@H](C)N[C@@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000038064178 174075117 /nfs/dbraw/zinc/07/51/17/174075117.db2.gz PBTAAWYTIVXNBP-GDBMZVCRSA-N 0 0 257.381 2.543 10 30 CFEERN N#Cc1ccccc1NCCOc1ccccc1N ZINC000038080098 174089771 /nfs/dbraw/zinc/08/97/71/174089771.db2.gz FWGDTRAZSPCNHQ-UHFFFAOYSA-N 0 0 253.305 2.631 10 30 CFEERN Cc1cccc(Oc2cc(C#N)ccn2)c1[N+](=O)[O-] ZINC000038081835 174091321 /nfs/dbraw/zinc/09/13/21/174091321.db2.gz ZWTSOAJIMGQOCJ-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN Cc1sc(NC(=O)c2ccc(Cl)nn2)c(C#N)c1C ZINC000038102881 174118880 /nfs/dbraw/zinc/11/88/80/174118880.db2.gz VDSXABKOTAKDRJ-UHFFFAOYSA-N 0 0 292.751 2.932 10 30 CFEERN C=CC[C@H](O)c1ccccc1I ZINC000038303608 174138971 /nfs/dbraw/zinc/13/89/71/174138971.db2.gz SHLXZUHFKYBCMY-JTQLQIEISA-N 0 0 274.101 2.901 10 30 CFEERN C#CCSc1ccc(-c2sc(C)nc2C)nn1 ZINC000038719531 174153428 /nfs/dbraw/zinc/15/34/28/174153428.db2.gz IMBJCYIQSJGDDV-UHFFFAOYSA-N 0 0 261.375 2.942 10 30 CFEERN C#CCSc1ccc(-c2ccc(OC)cc2)nn1 ZINC000038718816 174153517 /nfs/dbraw/zinc/15/35/17/174153517.db2.gz GQPFCLOBGCNAPT-UHFFFAOYSA-N 0 0 256.330 2.878 10 30 CFEERN C=C(C)Cn1c(CNC(=O)C2CC2)nc2ccccc21 ZINC000040190708 174202872 /nfs/dbraw/zinc/20/28/72/174202872.db2.gz ZUZJFJSPTYRQIX-UHFFFAOYSA-N 0 0 269.348 2.639 10 30 CFEERN N#C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000040216168 174204676 /nfs/dbraw/zinc/20/46/76/174204676.db2.gz GOMCJEOYRJXRDQ-CQSZACIVSA-N 0 0 272.254 2.959 10 30 CFEERN COc1cccc(Nc2nnc(C)c(C)c2C#N)c1 ZINC000040217625 174205949 /nfs/dbraw/zinc/20/59/49/174205949.db2.gz HRYIDDOBTGHMLZ-UHFFFAOYSA-N 0 0 254.293 2.717 10 30 CFEERN Cc1nnc(N[C@@H](C)c2ccncc2)c(C#N)c1C ZINC000040217687 174206162 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GJAFTYVIGONTMT-UHFFFAOYSA-N 0 0 254.337 2.935 10 30 CFEERN COc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1N ZINC000040769920 174399402 /nfs/dbraw/zinc/39/94/02/174399402.db2.gz ZMZNORURHWDUEZ-UHFFFAOYSA-N 0 0 282.303 2.793 10 30 CFEERN N#Cc1c2c(sc1NC(=O)c1cn[nH]c1)CCCCC2 ZINC000040851634 174420252 /nfs/dbraw/zinc/42/02/52/174420252.db2.gz ISPYZLLYOIRHHO-UHFFFAOYSA-N 0 0 286.360 2.864 10 30 CFEERN N#Cc1ccc(NC2CCS(=O)CC2)cc1Cl ZINC000042336298 174689487 /nfs/dbraw/zinc/68/94/87/174689487.db2.gz IJZRFYWOOIPIMX-UHFFFAOYSA-N 0 0 268.769 2.535 10 30 CFEERN CCN(C[C@@H](C)C#N)c1cccc(F)c1[C@@H](C)O ZINC000042447581 174741311 /nfs/dbraw/zinc/74/13/11/174741311.db2.gz ZMUMWZINPRHERW-WDEREUQCSA-N 0 0 250.317 2.865 10 30 CFEERN CCCC[C@@H](CC)C(=O)N(CC/C(N)=N/O)C(C)C ZINC000042529426 174779678 /nfs/dbraw/zinc/77/96/78/174779678.db2.gz HKXFZBSMDBPSEH-GFCCVEGCSA-N 0 0 271.405 2.576 10 30 CFEERN CCCCCCCCCCCCS(=O)(=O)CC(N)=O ZINC000043356549 175023601 /nfs/dbraw/zinc/02/36/01/175023601.db2.gz AMNDVZSZNQTIAD-UHFFFAOYSA-N 0 0 291.457 2.807 10 30 CFEERN Cc1ccc(C#N)c(Oc2ccccc2[N+](=O)[O-])n1 ZINC000043400565 175036517 /nfs/dbraw/zinc/03/65/17/175036517.db2.gz KGYPVSURKGMAKB-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN Cc1ncsc1CCOc1nc(C)ccc1C#N ZINC000043400128 175036544 /nfs/dbraw/zinc/03/65/44/175036544.db2.gz MUWORZHJUSHQCX-UHFFFAOYSA-N 0 0 259.334 2.648 10 30 CFEERN COc1ccccc1COc1ccc(C)cc1C#CCO ZINC000043457877 175050422 /nfs/dbraw/zinc/05/04/22/175050422.db2.gz HBLVPLPERORPRG-UHFFFAOYSA-N 0 0 282.339 2.926 10 30 CFEERN C[C@H](C#N)NCc1cc(Br)ccc1F ZINC000043515312 175061447 /nfs/dbraw/zinc/06/14/47/175061447.db2.gz MMDKCAWYAOXRDU-SSDOTTSWSA-N 0 0 257.106 2.590 10 30 CFEERN CCOc1cc(C=O)cc(Br)c1O[C@@H](C)C#N ZINC000043516103 175061613 /nfs/dbraw/zinc/06/16/13/175061613.db2.gz WAAQSNLAHDTDHP-QMMMGPOBSA-N 0 0 298.136 2.951 10 30 CFEERN C[C@H](C#N)N(C)Cc1cc(Br)cs1 ZINC000043522234 175062102 /nfs/dbraw/zinc/06/21/02/175062102.db2.gz YUWSAYPPWZTHFR-SSDOTTSWSA-N 0 0 259.172 2.854 10 30 CFEERN N#Cc1ccc(Oc2nccnc2Cl)c([N+](=O)[O-])c1 ZINC000043536962 175063304 /nfs/dbraw/zinc/06/33/04/175063304.db2.gz FJEQZMATVRKJPS-UHFFFAOYSA-N 0 0 276.639 2.702 10 30 CFEERN CC[C@H](C#N)Oc1c(Br)cccc1CO ZINC000043543103 175064356 /nfs/dbraw/zinc/06/43/56/175064356.db2.gz OHDVOFWPLHEEDI-SECBINFHSA-N 0 0 270.126 2.622 10 30 CFEERN OCCC#Cc1ccc(COCC(F)(F)F)s1 ZINC000043682423 175091258 /nfs/dbraw/zinc/09/12/58/175091258.db2.gz GVMUVNYHWCSCMM-UHFFFAOYSA-N 0 0 264.268 2.561 10 30 CFEERN Cn1cc(SCc2cc(C#CCCO)cs2)cn1 ZINC000043699752 175097266 /nfs/dbraw/zinc/09/72/66/175097266.db2.gz KRPHRRRORQATTP-UHFFFAOYSA-N 0 0 278.402 2.508 10 30 CFEERN Cc1ccc(C#CCCO)cc1NC(=O)OC(C)C ZINC000044240961 175156129 /nfs/dbraw/zinc/15/61/29/175156129.db2.gz QPIMLGCMKNJYOR-UHFFFAOYSA-N 0 0 261.321 2.686 10 30 CFEERN COc1ccc(Br)cc1CN(C)[C@@H](C)C#N ZINC000044287310 175159312 /nfs/dbraw/zinc/15/93/12/175159312.db2.gz RBRCMGARWZHHQB-VIFPVBQESA-N 0 0 283.169 2.802 10 30 CFEERN C[C@H](NC(=O)C(C)(C)C)c1ccc(C#CCCO)cc1 ZINC000044389545 175170754 /nfs/dbraw/zinc/17/07/54/175170754.db2.gz MRLNRTDFUDUPNC-ZDUSSCGKSA-N 0 0 273.376 2.644 10 30 CFEERN Cc1cc(N)ccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000044748524 175244076 /nfs/dbraw/zinc/24/40/76/175244076.db2.gz QNPCSCNGJHPEMR-LBPRGKRZSA-N 0 0 279.343 2.940 10 30 CFEERN CC[C@H](NC(=O)c1cccc(C#CCO)c1)c1cccs1 ZINC000049533310 175486316 /nfs/dbraw/zinc/48/63/16/175486316.db2.gz FMFCJAOFDMIYSP-HNNXBMFYSA-N 0 0 299.395 2.973 10 30 CFEERN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(C#CCO)cc1 ZINC000049588421 175490558 /nfs/dbraw/zinc/49/05/58/175490558.db2.gz AQPXLCDDWZGSMR-CYBMUJFWSA-N 0 0 299.395 2.512 10 30 CFEERN N#Cc1ccccc1OCc1cccc(C#CCCO)c1 ZINC000049621253 175495444 /nfs/dbraw/zinc/49/54/44/175495444.db2.gz QVQMVALABNDSEL-UHFFFAOYSA-N 0 0 277.323 2.871 10 30 CFEERN Cc1ccccc1N(C)Cc1cccc(C#CCO)c1 ZINC000049988598 175506256 /nfs/dbraw/zinc/50/62/56/175506256.db2.gz JAEHCTYLOFMOHG-UHFFFAOYSA-N 0 0 265.356 2.975 10 30 CFEERN C=CCN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(C)C ZINC000050037748 175507253 /nfs/dbraw/zinc/50/72/53/175507253.db2.gz RJHUOQREUWPFAQ-UHFFFAOYSA-N 0 0 284.262 2.910 10 30 CFEERN OCC#Cc1ccc(OCc2ccc(F)cc2F)cc1 ZINC000050886295 175519814 /nfs/dbraw/zinc/51/98/14/175519814.db2.gz WXGSQPQDHLYDQK-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN CCN(CC(=O)NC(C)C)c1ccc(C#N)c(Cl)c1 ZINC000061851070 175656548 /nfs/dbraw/zinc/65/65/48/175656548.db2.gz PVCLSKWKTIMFKM-UHFFFAOYSA-N 0 0 279.771 2.563 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)COc1cccc(Cl)c1 ZINC000061888444 175657076 /nfs/dbraw/zinc/65/70/76/175657076.db2.gz UYDFZYNQHKRNME-MFKMUULPSA-N 0 0 278.739 2.527 10 30 CFEERN Cc1cc(C#CCCO)ccc1OCCc1cccnc1 ZINC000063223747 175686167 /nfs/dbraw/zinc/68/61/67/175686167.db2.gz KJEVODSNAPXEKR-UHFFFAOYSA-N 0 0 281.355 2.745 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@@H](C)c2nccn2C)cc1 ZINC000070445136 175937430 /nfs/dbraw/zinc/93/74/30/175937430.db2.gz NUPVGYARQMPEJP-LBPRGKRZSA-N 0 0 284.363 2.509 10 30 CFEERN Cc1sc(=O)n(Cc2cc(C#N)ccc2F)c1C ZINC000071351489 176135012 /nfs/dbraw/zinc/13/50/12/176135012.db2.gz HEXBJFHAGNZPJT-UHFFFAOYSA-N 0 0 262.309 2.586 10 30 CFEERN N#Cc1cccc(NC(=O)c2ccc3ncoc3c2)c1 ZINC000074956030 176641408 /nfs/dbraw/zinc/64/14/08/176641408.db2.gz CGXSKIWYCQJKRH-UHFFFAOYSA-N 0 0 263.256 2.952 10 30 CFEERN CC(=O)O[C@H](C#N)c1ccccc1Br ZINC000077607559 177284368 /nfs/dbraw/zinc/28/43/68/177284368.db2.gz JRWWYTDWDOIONY-SNVBAGLBSA-N 0 0 254.083 2.577 10 30 CFEERN CC(=O)O[C@H](C#N)c1ccc(Br)cc1 ZINC000077607552 177284445 /nfs/dbraw/zinc/28/44/45/177284445.db2.gz GCHNMUSSJFALMS-SNVBAGLBSA-N 0 0 254.083 2.577 10 30 CFEERN N#Cc1ccc(OC2CN(C(=O)NCC3CCCC3)C2)cc1 ZINC000329692745 226923279 /nfs/dbraw/zinc/92/32/79/226923279.db2.gz AOVOZYASNIMPFX-UHFFFAOYSA-N 0 0 299.374 2.725 10 30 CFEERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCC1CCOCC1 ZINC000329000388 227252776 /nfs/dbraw/zinc/25/27/76/227252776.db2.gz VPZKMZLMVRDMMH-RISCZKNCSA-N 0 0 267.369 2.765 10 30 CFEERN Cc1nnc(CC(=O)N[C@H]2CCCc3c(O)cccc32)o1 ZINC000330187317 228059669 /nfs/dbraw/zinc/05/96/69/228059669.db2.gz SWXGQUFOLMISKR-LBPRGKRZSA-N 0 0 287.319 2.660 10 30 CFEERN CCn1nc(NC(=O)N[C@@H](C)CC2CC2)cc1C1CC1 ZINC000330237272 228075644 /nfs/dbraw/zinc/07/56/44/228075644.db2.gz HOFCNDZKPAKVGC-JTQLQIEISA-N 0 0 276.384 2.717 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2cc[nH]c21 ZINC000088733375 260234587 /nfs/dbraw/zinc/23/45/87/260234587.db2.gz IGGPQTSBXKNBEC-AAEUAGOBSA-N 0 0 253.305 2.590 10 30 CFEERN Cc1ncc(CN[C@@H]2CCC[C@H]2C#N)n1-c1ccccc1 ZINC000092129042 260267596 /nfs/dbraw/zinc/26/75/96/260267596.db2.gz SEOVYFOCOOOELV-WMLDXEAASA-N 0 0 280.375 2.963 10 30 CFEERN N#Cc1cc(Br)cnc1NCc1cccnc1 ZINC000074370362 260287374 /nfs/dbraw/zinc/28/73/74/260287374.db2.gz BUROWXOPGSGFJO-UHFFFAOYSA-N 0 0 289.136 2.723 10 30 CFEERN C=CCN(CCO)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000128019924 260371194 /nfs/dbraw/zinc/37/11/94/260371194.db2.gz SQSHGFCZSALGSO-UHFFFAOYSA-N 0 0 270.254 2.562 10 30 CFEERN C=CCC(CC=C)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000153088344 260685425 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C=C[C@@](C)(CCOC)C(=O)O[C@H](C)C1CCOCC1 ZINC000187615885 618075143 /nfs/dbraw/zinc/07/51/43/618075143.db2.gz IDGGIWPNXHUMLV-DOMZBBRYSA-N 0 0 270.369 2.574 10 30 CFEERN N#Cc1ccc(OCCC2OCCCO2)c(Cl)c1 ZINC000091466651 618109433 /nfs/dbraw/zinc/10/94/33/618109433.db2.gz MLTIZZRXUCLZOE-UHFFFAOYSA-N 0 0 267.712 2.744 10 30 CFEERN C=CCN(C(=O)c1ccc(F)cc1N)C(C)(C)C ZINC000165578103 618257681 /nfs/dbraw/zinc/25/76/81/618257681.db2.gz HJFYNZCQJZEQMA-UHFFFAOYSA-N 0 0 250.317 2.835 10 30 CFEERN C#CCOc1ccccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979160 618264749 /nfs/dbraw/zinc/26/47/49/618264749.db2.gz VQJVFMRVYXOYKA-FUHWJXTLSA-N 0 0 285.387 2.842 10 30 CFEERN C#C[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC000179533555 618325353 /nfs/dbraw/zinc/32/53/53/618325353.db2.gz OZTKYWHQQOJRGX-MRXNPFEDSA-N 0 0 254.329 2.673 10 30 CFEERN Cc1sc(Cl)nc1C(=O)O[C@H]1CCC[C@H]1C#N ZINC000892898666 618765041 /nfs/dbraw/zinc/76/50/41/618765041.db2.gz CXVYEEYBZYBBMZ-YUMQZZPRSA-N 0 0 270.741 2.954 10 30 CFEERN C[C@H](C#N)Oc1ccccc1NCc1nnc(C2CC2)n1C ZINC000182549610 618897685 /nfs/dbraw/zinc/89/76/85/618897685.db2.gz YPYKRCLIESGAGR-LLVKDONJSA-N 0 0 297.362 2.595 10 30 CFEERN CC[C@H]1OCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000313467418 618989879 /nfs/dbraw/zinc/98/98/79/618989879.db2.gz PDBZTVVLVDHZIA-ZIAGYGMSSA-N 0 0 258.321 2.506 10 30 CFEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1cccs1 ZINC000140950277 619498126 /nfs/dbraw/zinc/49/81/26/619498126.db2.gz VLJRHNHGSHZNDO-SECBINFHSA-N 0 0 255.339 2.903 10 30 CFEERN CC(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094336399 620003325 /nfs/dbraw/zinc/00/33/25/620003325.db2.gz VXKPBZBPSFJFOJ-NSHDSACASA-N 0 0 297.280 2.777 10 30 CFEERN C[C@H](C#N)NC(=O)c1ccccc1NC(=O)OC(C)(C)C ZINC000163366972 620107613 /nfs/dbraw/zinc/10/76/13/620107613.db2.gz MGPAKGJHFVXZTE-SNVBAGLBSA-N 0 0 289.335 2.675 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(Br)n1 ZINC000164225553 622942258 /nfs/dbraw/zinc/94/22/58/622942258.db2.gz PJKJOYISNYCBOH-KOLCDFICSA-N 0 0 280.169 2.626 10 30 CFEERN 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/nfs/dbraw/zinc/76/92/28/529769228.db2.gz NIVDBGWIYJWSOY-UHFFFAOYSA-N 0 0 258.350 2.541 10 30 CFEERN CN(C)c1nc2ccc(NC(=O)[C@@]3(C)CCOC3)cc2o1 ZINC000329468717 529805625 /nfs/dbraw/zinc/80/56/25/529805625.db2.gz XAFAGRQPOBOBGD-HNNXBMFYSA-N 0 0 289.335 2.908 10 30 CFEERN C=CCCOCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000127168660 187287511 /nfs/dbraw/zinc/28/75/11/187287511.db2.gz GDDGOTIFHDTVLF-MRXNPFEDSA-N 0 0 288.391 2.956 10 30 CFEERN CC(=O)c1ccc(C#N)c(N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000273225582 192080136 /nfs/dbraw/zinc/08/01/36/192080136.db2.gz QDKJZOGIMFKTLY-INIZCTEOSA-N 0 0 294.358 2.836 10 30 CFEERN OC[C@H](Cc1ccccc1)/N=C/c1ccc(F)cc1 ZINC000003623351 346208841 /nfs/dbraw/zinc/20/88/41/346208841.db2.gz MNTNYBDTGMBVFB-GYKGCMEESA-N 0 0 257.308 2.848 10 30 CFEERN C=CCCCCCCCCC(=O)N[C@H]1CCCNC1=O ZINC000013558658 346232249 /nfs/dbraw/zinc/23/22/49/346232249.db2.gz DADASGTVISBBLD-AWEZNQCLSA-N 0 0 280.412 2.688 10 30 CFEERN CC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)ccc(C)c12 ZINC000034148651 346314962 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CFEERN CCOc1c(CC#N)cc(OC(F)F)cc1OC ZINC000575657573 382779965 /nfs/dbraw/zinc/77/99/65/382779965.db2.gz MPFIYGLQUVVBEQ-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1c(CC#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575658568 382780424 /nfs/dbraw/zinc/78/04/24/382780424.db2.gz QHGNQVUZMZYJEH-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCc1cc(OC(F)F)c(CC#N)c([N+](=O)[O-])c1 ZINC000575659976 382780701 /nfs/dbraw/zinc/78/07/01/382780701.db2.gz KHMQMDKYENRSBF-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1cc(OC(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575659952 382780801 /nfs/dbraw/zinc/78/08/01/382780801.db2.gz JWZKVOLUAUJNGI-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1c(N)c(Cl)ccc1I ZINC000575715416 382794856 /nfs/dbraw/zinc/79/48/56/382794856.db2.gz CBPACXYFBXMLGB-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#CCc1ccc(C(F)(F)F)c(OC(F)F)c1N ZINC000575716464 382794893 /nfs/dbraw/zinc/79/48/93/382794893.db2.gz BKDUPMWZLDNITI-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCOc1c(C#N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575671470 382783978 /nfs/dbraw/zinc/78/39/78/382783978.db2.gz SLBGGKPSNLSPQZ-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN Cc1c(OC(F)(F)F)ccc([N+](=O)[O-])c1CC#N ZINC000575675738 382784563 /nfs/dbraw/zinc/78/45/63/382784563.db2.gz XTGPSAOTRSNXBO-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1cc(Br)cc(OC(F)F)c1O ZINC000575682023 382786273 /nfs/dbraw/zinc/78/62/73/382786273.db2.gz JZXPDYVRSAQLBW-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#CCc1cc(Br)cc(OC(F)F)c1O ZINC000575682170 382786495 /nfs/dbraw/zinc/78/64/95/382786495.db2.gz NKKAUSMRLQZDNK-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(N)cc(Br)cc1Br ZINC000575716935 382795246 /nfs/dbraw/zinc/79/52/46/382795246.db2.gz YNRMZXAJHCHKEM-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#Cc1c(OC(F)F)cc(Br)cc1[N+](=O)[O-] ZINC000575684220 382787153 /nfs/dbraw/zinc/78/71/53/382787153.db2.gz FPZNMUCOFQTPSY-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1cc(Br)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575684448 382787397 /nfs/dbraw/zinc/78/73/97/382787397.db2.gz GOHVCURJPCRNJV-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cc(OC(F)F)c1N ZINC000575717855 382795283 /nfs/dbraw/zinc/79/52/83/382795283.db2.gz VVLNYSTYOHNOLV-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1cc(OC(F)F)c(N)c(C(F)(F)F)c1 ZINC000575716982 382795291 /nfs/dbraw/zinc/79/52/91/382795291.db2.gz KOBVMXXEAKFJFI-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN Cc1c(I)ccc(F)c1CC#N ZINC000575704609 382791790 /nfs/dbraw/zinc/79/17/90/382791790.db2.gz FGMSJPREGBBFPM-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(OC(F)F)c1C#N ZINC000575343021 382759731 /nfs/dbraw/zinc/75/97/31/382759731.db2.gz RSHDVIPPWVDUFQ-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)c(Cl)cc1C#N ZINC000575343022 382759761 /nfs/dbraw/zinc/75/97/61/382759761.db2.gz RUTZCSHHFZJHEJ-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)Cc1cc(Cl)c(C#N)cc1OC(F)F ZINC000575343002 382759800 /nfs/dbraw/zinc/75/98/00/382759800.db2.gz LRDLWGBOHBEVGO-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1C(F)F ZINC000575344177 382759996 /nfs/dbraw/zinc/75/99/96/382759996.db2.gz SUOOYEPHRNNXMO-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc([N+](=O)[O-])c1C#N ZINC000575344190 382760043 /nfs/dbraw/zinc/76/00/43/382760043.db2.gz UHGPLKASKYAXBA-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C)c1C(F)F ZINC000575343939 382760096 /nfs/dbraw/zinc/76/00/96/382760096.db2.gz KIXURBVDSJHHEB-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1OC ZINC000575343674 382760110 /nfs/dbraw/zinc/76/01/10/382760110.db2.gz ZLUXTBFYSWSPBO-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(F)c1C#N ZINC000575344679 382760119 /nfs/dbraw/zinc/76/01/19/382760119.db2.gz IFNABXXTEWCPFN-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)c(C(F)F)c1 ZINC000575344208 382760128 /nfs/dbraw/zinc/76/01/28/382760128.db2.gz VFZCZLVBWFHGOB-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cccc(OC(F)(F)F)c1C#N ZINC000575344869 382760372 /nfs/dbraw/zinc/76/03/72/382760372.db2.gz DRHJCJQYPJZLGQ-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1F ZINC000575345019 382760380 /nfs/dbraw/zinc/76/03/80/382760380.db2.gz PDNQWSYGJQKADU-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](CCO)C1 ZINC000228318267 382846305 /nfs/dbraw/zinc/84/63/05/382846305.db2.gz ZTUCAWKTAAXNCK-SNVBAGLBSA-N 0 0 284.281 2.786 10 30 CFEERN CCCCCCCCCCC(=O)N[C@H](O)C(=O)OCC ZINC000224190458 382809490 /nfs/dbraw/zinc/80/94/90/382809490.db2.gz WKGGNVKZPAKKHM-CQSZACIVSA-N 0 0 287.400 2.515 10 30 CFEERN Cc1cc(NCC[C@@H]2CCCCO2)c(C#N)c(C)n1 ZINC000227316629 382835236 /nfs/dbraw/zinc/83/52/36/382835236.db2.gz ILSIJJZHUQEYNL-ZDUSSCGKSA-N 0 0 259.353 2.941 10 30 CFEERN CO[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000227760343 382840636 /nfs/dbraw/zinc/84/06/36/382840636.db2.gz XPVMQEFLQKDXDQ-NEPJUHHUSA-N 0 0 275.308 2.836 10 30 CFEERN CC(C)C(C)(C)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232809943 382869963 /nfs/dbraw/zinc/86/99/63/382869963.db2.gz LQISSJFYCMUOOU-UHFFFAOYSA-N 0 0 262.313 2.956 10 30 CFEERN Cc1noc(C)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235259633 382878760 /nfs/dbraw/zinc/87/87/60/382878760.db2.gz AJOIKDINDZDTJT-SSDOTTSWSA-N 0 0 287.279 2.639 10 30 CFEERN C#CCC(=O)Nc1cc(Br)ccc1C ZINC000235777056 382887660 /nfs/dbraw/zinc/88/76/60/382887660.db2.gz JIMKJLAESUVGTB-UHFFFAOYSA-N 0 0 252.111 2.719 10 30 CFEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000248493438 383250191 /nfs/dbraw/zinc/25/01/91/383250191.db2.gz JYMOWMKPPHWHLF-RWMBFGLXSA-N 0 0 253.386 2.502 10 30 CFEERN C=C(Br)CN1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250527326 383377029 /nfs/dbraw/zinc/37/70/29/383377029.db2.gz QHAGCYXFCFRTJY-GHMZBOCLSA-N 0 0 272.186 2.729 10 30 CFEERN Cc1nc2cccc(C(=O)ON=C3C=CC(=O)C=C3C)c2o1 ZINC000254527965 383469194 /nfs/dbraw/zinc/46/91/94/383469194.db2.gz KUSKYXKKTSTTEO-UHFFFAOYSA-N 0 0 296.282 2.734 10 30 CFEERN Cc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)s1 ZINC000274242375 385746715 /nfs/dbraw/zinc/74/67/15/385746715.db2.gz UMEUTCUWZVQICP-ZETCQYMHSA-N 0 0 289.320 2.800 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1ccnc(C#N)c1 ZINC000288400079 197067323 /nfs/dbraw/zinc/06/73/23/197067323.db2.gz MSYMSQIYXLSBKM-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000191141677 262189593 /nfs/dbraw/zinc/18/95/93/262189593.db2.gz WNSWLULQXMCXRS-SMDDNHRTSA-N 0 0 258.321 2.506 10 30 CFEERN C=CCOc1ccc(/C=C2\C(=O)ON=C2C)cc1OCC ZINC000096193639 256818007 /nfs/dbraw/zinc/81/80/07/256818007.db2.gz TXIUVTCCUGKZRQ-LCYFTJDESA-N 0 0 287.315 2.966 10 30 CFEERN C#CCNC(=O)c1ccc(N2CC[C@H](C(CC)CC)C2)nc1 ZINC000301361686 393470904 /nfs/dbraw/zinc/47/09/04/393470904.db2.gz MNGZUCKHJMQQTQ-INIZCTEOSA-N 0 0 299.418 2.707 10 30 CFEERN C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc(Cl)s1 ZINC000182546035 393511809 /nfs/dbraw/zinc/51/18/09/393511809.db2.gz PUIRXFNAFNCZFT-HTQZYQBOSA-N 0 0 271.773 2.921 10 30 CFEERN Cc1nn(C)c(Cl)c1/C=C\C(=O)O/N=C\c1ccco1 ZINC000033374138 393517025 /nfs/dbraw/zinc/51/70/25/393517025.db2.gz UVNYQNOKUHEFLJ-KZZFBBJTSA-N 0 0 293.710 2.565 10 30 CFEERN N#Cc1ccncc1NCc1ccc2c(c1)CCCN2 ZINC000394581257 393596105 /nfs/dbraw/zinc/59/61/05/393596105.db2.gz ZCBPEOAGSRNWMN-UHFFFAOYSA-N 0 0 264.332 2.923 10 30 CFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc(C)c1F ZINC000334261039 393586958 /nfs/dbraw/zinc/58/69/58/393586958.db2.gz XIYIXLHODFMEMM-WCQYABFASA-N 0 0 260.312 2.865 10 30 CFEERN CN(C)c1c(C#N)cnc2ccc(Br)cc21 ZINC000053994985 393619070 /nfs/dbraw/zinc/61/90/70/393619070.db2.gz BKUWPPPHMHQFSV-UHFFFAOYSA-N 0 0 276.137 2.935 10 30 CFEERN C=CCSCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000194565458 393706503 /nfs/dbraw/zinc/70/65/03/393706503.db2.gz DWIPBTWCPCNZES-LLVKDONJSA-N 0 0 268.382 2.867 10 30 CFEERN Cc1cc(N2CC(C)(C)OC(C)(C)C2)c(C#N)c(C)n1 ZINC000226425117 393770771 /nfs/dbraw/zinc/77/07/71/393770771.db2.gz RLTBYUNMDGLASG-UHFFFAOYSA-N 0 0 273.380 2.964 10 30 CFEERN Cc1cc(C#N)nc(N2CCCC[C@@H]2c2nccs2)n1 ZINC000286045690 394183377 /nfs/dbraw/zinc/18/33/77/394183377.db2.gz BVAIHZULWDJFAM-GFCCVEGCSA-N 0 0 285.376 2.845 10 30 CFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000134863978 394205746 /nfs/dbraw/zinc/20/57/46/394205746.db2.gz QFMWTCHXLBWAJH-NOZJJQNGSA-N 0 0 264.275 2.695 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000151018656 394259206 /nfs/dbraw/zinc/25/92/06/394259206.db2.gz WOYGYXJULYIQNZ-GOEBONIOSA-N 0 0 273.376 2.811 10 30 CFEERN Cc1cc(C)c(C#N)c(N2CC(=O)Nc3ccccc32)n1 ZINC000040508902 134863438 /nfs/dbraw/zinc/86/34/38/134863438.db2.gz MFWABDCZHHUISM-UHFFFAOYSA-N 0 0 278.315 2.660 10 30 CFEERN C=CCCOCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000155451465 394317002 /nfs/dbraw/zinc/31/70/02/394317002.db2.gz UYFIBJMNYLWMSW-CABCVRRESA-N 0 0 265.397 2.912 10 30 CFEERN O=C(CS)Nc1ccc(N2CCCCC2)cc1 ZINC000084844296 135034778 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2.996 10 30 CFEERN CCNc1ccnc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000050742313 520348921 /nfs/dbraw/zinc/34/89/21/520348921.db2.gz GUNWRSSUTLQEGS-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CC1(C)COCCN1c1ccc(Cl)cc1C#N ZINC000052859657 520507999 /nfs/dbraw/zinc/50/79/99/520507999.db2.gz AXESUCBTJLWFDW-UHFFFAOYSA-N 0 0 250.729 2.827 10 30 CFEERN CCCN(CC(=O)OC)c1ccc(C#N)cc1Cl ZINC000062791621 521569265 /nfs/dbraw/zinc/56/92/65/521569265.db2.gz HHZLUBXJJKYKSL-UHFFFAOYSA-N 0 0 266.728 2.601 10 30 CFEERN CC[C@H](CC#N)NCc1ccc2c(c1)OCCCO2 ZINC000054183906 522087721 /nfs/dbraw/zinc/08/77/21/522087721.db2.gz LHSLIYHNHUFGEN-CYBMUJFWSA-N 0 0 260.337 2.630 10 30 CFEERN CN(C)[C@](C)(C#N)c1ccc(Br)cc1 ZINC000057539261 522107047 /nfs/dbraw/zinc/10/70/47/522107047.db2.gz VJEVEMLUVYYRDD-LLVKDONJSA-N 0 0 253.143 2.749 10 30 CFEERN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302706490 522214638 /nfs/dbraw/zinc/21/46/38/522214638.db2.gz GYFPJLLAXLZHBU-UHFFFAOYSA-N 0 0 297.318 2.540 10 30 CFEERN CNc1cc(C(=O)Nc2ccccc2C#N)cc(Cl)n1 ZINC000050728332 522562859 /nfs/dbraw/zinc/56/28/59/522562859.db2.gz UYLGKRLNYDWNCS-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CNc1ccc(Cl)cc1C(=O)N(C)C[C@H](C)C#N ZINC000050775876 522624752 /nfs/dbraw/zinc/62/47/52/522624752.db2.gz NQTGXRRUQCMIJM-SECBINFHSA-N 0 0 265.744 2.613 10 30 CFEERN COc1cc([N+](=O)[O-])ccc1Oc1nc(C)ccc1C#N ZINC000050505100 522985991 /nfs/dbraw/zinc/98/59/91/522985991.db2.gz CYPFXUHVRHGJDW-UHFFFAOYSA-N 0 0 285.259 2.971 10 30 CFEERN COC(=O)CN(c1cccc(Cl)c1C#N)C(C)C ZINC000052908408 523169474 /nfs/dbraw/zinc/16/94/74/523169474.db2.gz AHUUPBPFAOIZMD-UHFFFAOYSA-N 0 0 266.728 2.599 10 30 CFEERN COc1ccc(C#N)cc1CN[C@H](C)c1ncc(C)o1 ZINC000230646461 523526384 /nfs/dbraw/zinc/52/63/84/523526384.db2.gz FMFNITVKJXTZJN-LLVKDONJSA-N 0 0 271.320 2.714 10 30 CFEERN C[C@H]1CCC[C@@H](Sc2ncccc2/C(N)=N/O)C1 ZINC000054691132 524153590 /nfs/dbraw/zinc/15/35/90/524153590.db2.gz UZBBIEHIGHTVML-VHSXEESVSA-N 0 0 265.382 2.847 10 30 CFEERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000335476443 524415179 /nfs/dbraw/zinc/41/51/79/524415179.db2.gz WSKIDOJTFPLQMF-ZWNOBZJWSA-N 0 0 260.312 2.750 10 30 CFEERN COc1ccc(Nc2ccnc(C#N)c2)c(OC)c1 ZINC000061814779 524716330 /nfs/dbraw/zinc/71/63/30/524716330.db2.gz CLYYIMLKWIQMHB-UHFFFAOYSA-N 0 0 255.277 2.714 10 30 CFEERN C[C@H](Nc1ncc(N)cc1C#N)c1cccc(F)c1 ZINC000049528992 525680937 /nfs/dbraw/zinc/68/09/37/525680937.db2.gz XWFFDJILWOTYLU-VIFPVBQESA-N 0 0 256.284 2.848 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000069606961 526002964 /nfs/dbraw/zinc/00/29/64/526002964.db2.gz KTGKESXYCOSGIR-RISCZKNCSA-N 0 0 273.336 2.556 10 30 CFEERN Cc1cnc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)o1 ZINC000231745044 526129983 /nfs/dbraw/zinc/12/99/83/526129983.db2.gz ZNDOMGJOCLWPSA-SECBINFHSA-N 0 0 272.264 2.936 10 30 CFEERN C[C@@H](c1cccs1)N(C)c1ncc(N)cc1C#N ZINC000049727027 526147446 /nfs/dbraw/zinc/14/74/46/526147446.db2.gz DRYHLNORZNGMSU-VIFPVBQESA-N 0 0 258.350 2.794 10 30 CFEERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)o1 ZINC000226547252 526160004 /nfs/dbraw/zinc/16/00/04/526160004.db2.gz SKBVQHWBPSOSPG-VIFPVBQESA-N 0 0 272.264 2.936 10 30 CFEERN Cc1nnc(OCCc2cccs2)c(C#N)c1C ZINC000049585397 526377108 /nfs/dbraw/zinc/37/71/08/526377108.db2.gz UNTADXFANPXWTO-UHFFFAOYSA-N 0 0 259.334 2.648 10 30 CFEERN N#Cc1c(Cl)cccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000052908953 526518573 /nfs/dbraw/zinc/51/85/73/526518573.db2.gz ZEAZQJHBLRXHIY-UONOGXRCSA-N 0 0 262.740 2.969 10 30 CFEERN N#Cc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000061815433 526574714 /nfs/dbraw/zinc/57/47/14/526574714.db2.gz NHOGTQLKVLBSDK-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000050924591 526637438 /nfs/dbraw/zinc/63/74/38/526637438.db2.gz ROGBIVVAIKKVBH-AWEZNQCLSA-N 0 0 290.338 2.917 10 30 CFEERN N#Cc1ccc(N2CCC(c3nccs3)CC2)nc1 ZINC000364885315 526643430 /nfs/dbraw/zinc/64/34/30/526643430.db2.gz BWYFKLRKUHGHHI-UHFFFAOYSA-N 0 0 270.361 2.794 10 30 CFEERN N#Cc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000050454545 526678839 /nfs/dbraw/zinc/67/88/39/526678839.db2.gz HHPRVYNJUNIRMD-UHFFFAOYSA-N 0 0 276.639 2.702 10 30 CFEERN N#Cc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1F ZINC000300240822 526703163 /nfs/dbraw/zinc/70/31/63/526703163.db2.gz YRWUNVABOZGCLZ-HUUCEWRRSA-N 0 0 274.339 2.841 10 30 CFEERN N#Cc1ccccc1CN1C(=O)CNc2ccccc21 ZINC000057927305 526735264 /nfs/dbraw/zinc/73/52/64/526735264.db2.gz GLTPROBWQNOQLQ-UHFFFAOYSA-N 0 0 263.300 2.517 10 30 CFEERN N#Cc1ccccc1NC(=O)c1ccc2c(c1)CCO2 ZINC000050892213 526742646 /nfs/dbraw/zinc/74/26/46/526742646.db2.gz KQRUPVMIUVJLDP-UHFFFAOYSA-N 0 0 264.284 2.745 10 30 CFEERN N#Cc1ncccc1CNc1cccc(F)c1C#N ZINC000061657534 526789815 /nfs/dbraw/zinc/78/98/15/526789815.db2.gz KZOCVWLITJUERF-UHFFFAOYSA-N 0 0 252.252 2.576 10 30 CFEERN Cn1nccc1C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000171382705 527598849 /nfs/dbraw/zinc/59/88/49/527598849.db2.gz LFEDYMKGVWJVER-UHFFFAOYSA-N 0 0 298.365 2.810 10 30 CFEERN CCOC(=NC(=O)c1ccccc1F)NCc1ccco1 ZINC000004591053 528449848 /nfs/dbraw/zinc/44/98/48/528449848.db2.gz XUJABDRMJWQZRN-UHFFFAOYSA-N 0 0 290.294 2.741 10 30 CFEERN CCC1(CC)CN(c2ccc(C#N)cc2)CC[S@]1=O ZINC000302217401 535266826 /nfs/dbraw/zinc/26/68/26/535266826.db2.gz JRBIDEDTLAKQCG-IBGZPJMESA-N 0 0 276.405 2.686 10 30 CFEERN COC(=O)[C@H]1O[C@]1(C)c1cccc(Cl)c1Cl ZINC000234574773 545498646 /nfs/dbraw/zinc/49/86/46/545498646.db2.gz FTZVCXHNVWOEEV-MWLCHTKSSA-N 0 0 261.104 2.780 10 30 CFEERN C=C(C)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc21 ZINC000003594419 560124075 /nfs/dbraw/zinc/12/40/75/560124075.db2.gz BVMOMQJYQYBMKL-LBPRGKRZSA-N 0 0 286.283 2.855 10 30 endogenous,in-man CFEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccccc1Cl ZINC000234584668 567850873 /nfs/dbraw/zinc/85/08/73/567850873.db2.gz KMQNGXJFANVYEP-WDEREUQCSA-N 0 0 261.104 2.694 10 30 CFEERN C#CCOc1ccc(F)cc1NC[C@@H](C)COC ZINC000187509931 617701219 /nfs/dbraw/zinc/70/12/19/617701219.db2.gz XDOJKKGPXPYCSL-LLVKDONJSA-N 0 0 251.301 2.532 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000177698798 618041269 /nfs/dbraw/zinc/04/12/69/618041269.db2.gz YZYBEAVDBPXBFD-GIPNMCIBSA-N 0 0 270.288 2.572 10 30 CFEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1ccccc1F ZINC000238156163 618127180 /nfs/dbraw/zinc/12/71/80/618127180.db2.gz XKTYXYJLOIYAPV-GFCCVEGCSA-N 0 0 267.300 2.981 10 30 CFEERN C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000161557682 618134651 /nfs/dbraw/zinc/13/46/51/618134651.db2.gz PALWPEVESNFWIY-CZUORRHYSA-N 0 0 271.360 2.781 10 30 CFEERN C[C@@H](O)[C@@H](C)Nc1ccc(C#N)cc1Br ZINC000235234387 618214404 /nfs/dbraw/zinc/21/44/04/618214404.db2.gz XUEPSARTZNSGIQ-HTQZYQBOSA-N 0 0 269.142 2.502 10 30 CFEERN COC1CC(Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000310313519 618277787 /nfs/dbraw/zinc/27/77/87/618277787.db2.gz WZEKWETWAOPGDS-UHFFFAOYSA-N 0 0 251.717 2.504 10 30 CFEERN N#CCSc1ccccc1C(=O)Nc1ccc(=O)[nH]c1 ZINC000312692293 618445821 /nfs/dbraw/zinc/44/58/21/618445821.db2.gz OLUOCABKNAHBSC-UHFFFAOYSA-N 0 0 285.328 2.655 10 30 CFEERN COC[C@H](C)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177892016 618611000 /nfs/dbraw/zinc/61/10/00/618611000.db2.gz ALEPWHJZSFLIFX-NSHDSACASA-N 0 0 266.724 2.517 10 30 CFEERN C=CCN(CC=C)C(=O)CSC[C@@H](O)c1ccccc1 ZINC000247752146 618635771 /nfs/dbraw/zinc/63/57/71/618635771.db2.gz UXBQUOWDSPMEOH-OAHLLOKOSA-N 0 0 291.416 2.654 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cccc2c1NCCC2 ZINC000163347973 620069616 /nfs/dbraw/zinc/06/96/16/620069616.db2.gz WYWJTCWCPFXAKR-DZGCQCFKSA-N 0 0 255.365 2.827 10 30 CFEERN N#CC1(COC(=O)Cc2ccc3c(c2)CCC3)CCOCC1 ZINC000183932613 625560735 /nfs/dbraw/zinc/56/07/35/625560735.db2.gz PZYBPFJSNQQZSQ-UHFFFAOYSA-N 0 0 299.370 2.581 10 30 CFEERN C=C(C)COC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171857896 623246210 /nfs/dbraw/zinc/24/62/10/623246210.db2.gz LQCXDOHGAORTNS-HOCLYGCPSA-N 0 0 287.359 2.715 10 30 CFEERN C#CCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000174122951 623390474 /nfs/dbraw/zinc/39/04/74/623390474.db2.gz LBHPUJIDXXDUAW-GHMZBOCLSA-N 0 0 276.302 2.820 10 30 CFEERN C=CCOc1ccccc1C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000175263862 624942583 /nfs/dbraw/zinc/94/25/83/624942583.db2.gz KWOJTEARACJSNP-QWHCGFSZSA-N 0 0 276.332 2.833 10 30 CFEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000233947322 624961333 /nfs/dbraw/zinc/96/13/33/624961333.db2.gz YDGXXCNWULBEFA-KBPBESRZSA-N 0 0 258.321 2.506 10 30 CFEERN C=CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000069199227 625064953 /nfs/dbraw/zinc/06/49/53/625064953.db2.gz RUKARDHXORRUDP-JSGCOSHPSA-N 0 0 275.348 2.560 10 30 CFEERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](S)C[C@@H]2C1 ZINC000757159021 630872148 /nfs/dbraw/zinc/87/21/48/630872148.db2.gz BBYQLTRNXSHTDY-AXFHLTTASA-N 0 0 257.399 2.952 10 30 CFEERN C[C@H](C#N)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000120628129 638420830 /nfs/dbraw/zinc/42/08/30/638420830.db2.gz RSAWWXODPOEVLT-SECBINFHSA-N 0 0 278.402 2.807 10 30 CFEERN C[C@@H]1OCCC[C@H]1C(=O)OCC(C)(C)CCC#N ZINC000195046393 650736419 /nfs/dbraw/zinc/73/64/19/650736419.db2.gz JHQPHONPHXKJGM-NWDGAFQWSA-N 0 0 253.342 2.675 10 30 CFEERN C[C@H](C#N)NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000125941197 642868926 /nfs/dbraw/zinc/86/89/26/642868926.db2.gz PLVMJMDYLHGHBU-VQCYPWCPSA-N 0 0 285.734 2.930 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H](C#N)Cc2cccs2)O1 ZINC000246366645 650865847 /nfs/dbraw/zinc/86/58/47/650865847.db2.gz IZCDACGAXDUVSW-WZRBSPASSA-N 0 0 279.361 2.541 10 30 CFEERN C[C@H](C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000129908127 645426485 /nfs/dbraw/zinc/42/64/85/645426485.db2.gz JOGYWQCUGMUXEA-RKDXNWHRSA-N 0 0 291.401 2.805 10 30 CFEERN C#CCSCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000130392255 645491088 /nfs/dbraw/zinc/49/10/88/645491088.db2.gz COOZHUDIGPLNEB-VXGBXAGGSA-N 0 0 295.354 2.551 10 30 CFEERN C#CCNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000132775791 645964670 /nfs/dbraw/zinc/96/46/70/645964670.db2.gz DIYLWGAHJIGRAS-AWEZNQCLSA-N 0 0 256.349 2.633 10 30 CFEERN Cc1cc(Br)cn2c(C#N)c(Cl)nc12 ZINC000082693405 178187393 /nfs/dbraw/zinc/18/73/93/178187393.db2.gz RANFDJOBAQTPLV-UHFFFAOYSA-N 0 0 270.517 2.930 10 30 CFEERN CCc1nnc([C@H](C)NC(=O)C[C@H]2CCCCNC2=O)[nH]1 ZINC000329520731 529745634 /nfs/dbraw/zinc/74/56/34/529745634.db2.gz FMRAQUBMJIOPTK-VHSXEESVSA-N 0 0 293.371 2.531 10 30 CFEERN CCc1nnc(CSc2cccc(C#N)c2)n1C ZINC000177355781 529769252 /nfs/dbraw/zinc/76/92/52/529769252.db2.gz YKLAPHCKVLTGDX-UHFFFAOYSA-N 0 0 258.350 2.541 10 30 CFEERN N#Cc1cnc(NCCc2c(F)cccc2Cl)cn1 ZINC000127154039 187285993 /nfs/dbraw/zinc/28/59/93/187285993.db2.gz UMHXTOAXTZKMLY-UHFFFAOYSA-N 0 0 276.702 2.795 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086996768 260211155 /nfs/dbraw/zinc/21/11/55/260211155.db2.gz SDFRZGJOWYNFPH-HQJQHLMTSA-N 0 0 268.238 2.526 10 30 CFEERN CCC1(CC)C(=O)[C@H](C#N)CN1C(=O)OC(C)(C)C ZINC000049587197 282349032 /nfs/dbraw/zinc/34/90/32/282349032.db2.gz RPFCPMKSGTUNLP-SNVBAGLBSA-N 0 0 266.341 2.505 10 30 CFEERN COC(=O)C#Cc1cc(Br)ccc1Cl ZINC000070835075 539448671 /nfs/dbraw/zinc/44/86/71/539448671.db2.gz JUWJSLLAZDFAPV-UHFFFAOYSA-N 0 0 273.513 2.627 10 30 CFEERN N#Cc1cnc(N[C@@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000127412670 187303805 /nfs/dbraw/zinc/30/38/05/187303805.db2.gz GZXVRCHARCTHGC-LBPRGKRZSA-N 0 0 292.264 2.934 10 30 CFEERN C#CCOc1ccc(F)cc1NCC1=CCCOC1 ZINC000127544132 187315136 /nfs/dbraw/zinc/31/51/36/187315136.db2.gz XOFRAENLWPSDQO-UHFFFAOYSA-N 0 0 261.296 2.596 10 30 CFEERN CCC[C@@H](O)/C=C/C=C/C=C\C#CC#CCCCO ZINC000005759959 346212892 /nfs/dbraw/zinc/21/28/92/346212892.db2.gz FQVNSJQTSOVRKZ-AHBIEKGCSA-N 0 0 258.361 2.595 10 30 CFEERN COc1ccc(Br)cc1[C@H](C#N)N(C)C ZINC000037355026 346329690 /nfs/dbraw/zinc/32/96/90/346329690.db2.gz VZZJUVUTGUQUGO-JTQLQIEISA-N 0 0 269.142 2.584 10 30 CFEERN Cn1c2ccc([N+](=O)[O-])cc2nc1Cc1ccc(C#N)cc1 ZINC000034553265 346318176 /nfs/dbraw/zinc/31/81/76/346318176.db2.gz JOUQOAPNEZCZSF-UHFFFAOYSA-N 0 0 292.298 2.944 10 30 CFEERN C[C@@H](C#N)C(=O)c1ccc(I)cc1 ZINC000036931544 346324343 /nfs/dbraw/zinc/32/43/43/346324343.db2.gz JSDVOZCFRCCSLQ-ZETCQYMHSA-N 0 0 285.084 2.634 10 30 CFEERN CC1CCC(C#N)(NS(=O)(=O)c2ccccc2F)CC1 ZINC000040364668 346346010 /nfs/dbraw/zinc/34/60/10/346346010.db2.gz XQTHPSHMEZTHHF-UHFFFAOYSA-N 0 0 296.367 2.576 10 30 CFEERN C=CCc1c(OC(C)=O)c(C)cc2ccc(=O)oc21 ZINC000039477205 346343295 /nfs/dbraw/zinc/34/32/95/346343295.db2.gz RPPFWRGNKAZTHU-UHFFFAOYSA-N 0 0 258.273 2.755 10 30 CFEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828674 346577104 /nfs/dbraw/zinc/57/71/04/346577104.db2.gz HTDQOTSZSXMJSM-AAEUAGOBSA-N 0 0 259.309 2.767 10 30 CFEERN C[C@@](N)(C#N)CSc1cccc(Br)c1 ZINC000055309256 346586560 /nfs/dbraw/zinc/58/65/60/346586560.db2.gz KDTMOPQJSDYRCA-SNVBAGLBSA-N 0 0 271.183 2.782 10 30 CFEERN c1ccc(-c2ccccc2OC[C@H]2CO2)c(OC[C@H]2CO2)c1 ZINC000060192957 346660286 /nfs/dbraw/zinc/66/02/86/346660286.db2.gz GGIBUEPJJRWWNM-ZIAGYGMSSA-N 0 0 298.338 2.909 10 30 CFEERN N#Cc1nccnc1Oc1cccc(Cl)c1C#N ZINC000078591109 347264521 /nfs/dbraw/zinc/26/45/21/347264521.db2.gz PHJZCQYRTWKVEM-UHFFFAOYSA-N 0 0 256.652 2.666 10 30 CFEERN N#CCCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245526 539559848 /nfs/dbraw/zinc/55/98/48/539559848.db2.gz JVUQWCKXLBQRPT-UHFFFAOYSA-N 0 0 274.121 2.981 10 30 CFEERN CCOC(=O)CC[C@@H](C)Nc1ccc(C#N)cc1F ZINC000089652134 347525194 /nfs/dbraw/zinc/52/51/94/347525194.db2.gz IOZBHAZVNQRKDH-SNVBAGLBSA-N 0 0 264.300 2.841 10 30 CFEERN CC[C@H](Nc1snc(Cl)c1C#N)c1nnc(C)[nH]1 ZINC000092664604 347638650 /nfs/dbraw/zinc/63/86/50/347638650.db2.gz SLPKNCWUHQPESU-ZETCQYMHSA-N 0 0 282.760 2.658 10 30 CFEERN CCC[C@H](CC(=O)OC)Nc1ccc(Cl)c(C#N)n1 ZINC000092947188 347653613 /nfs/dbraw/zinc/65/36/13/347653613.db2.gz NXUIDBZATDMJBP-SECBINFHSA-N 0 0 281.743 2.750 10 30 CFEERN CCCCCCCCC/C=C/[C@H](O)[C@@H](N)C(=O)OCC ZINC000097977919 347711783 /nfs/dbraw/zinc/71/17/83/347711783.db2.gz KLGSSMZKPJPOGR-LTNMDHOVSA-N 0 0 285.428 2.935 10 30 CFEERN CC(C)(C)c1nn(-c2ccnc3[nH]ccc32)cc1C#N ZINC000113129879 347766147 /nfs/dbraw/zinc/76/61/47/347766147.db2.gz HBEDAPUPCFVERD-UHFFFAOYSA-N 0 0 265.320 2.918 10 30 CFEERN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000107545814 347736066 /nfs/dbraw/zinc/73/60/66/347736066.db2.gz JCYJLZKZJXUGGH-GHMZBOCLSA-N 0 0 297.280 2.804 10 30 CFEERN CC[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000111275987 347752784 /nfs/dbraw/zinc/75/27/84/347752784.db2.gz GXOOJQSKBZLYJR-CQSZACIVSA-N 0 0 265.316 2.834 10 30 CFEERN COc1ccc(-c2nnc(-c3ccc(C#N)s3)o2)cn1 ZINC000117838802 347794853 /nfs/dbraw/zinc/79/48/53/347794853.db2.gz LAZOMEXLSUCBGX-UHFFFAOYSA-N 0 0 284.300 2.740 10 30 CFEERN C[C@](C#N)([C@H]1CCCC(=O)C1)S(=O)(=O)c1ccccc1 ZINC000117941135 347795118 /nfs/dbraw/zinc/79/51/18/347795118.db2.gz HLHAZGAQVCIUAJ-WFASDCNBSA-N 0 0 291.372 2.502 10 30 CFEERN CS(=O)(=O)OCCCC#Cc1cccc2ccccc12 ZINC000118845690 347798828 /nfs/dbraw/zinc/79/88/28/347798828.db2.gz RMCDCXRIUGRTSI-UHFFFAOYSA-N 0 0 288.368 2.948 10 30 CFEERN C#CC[C@H](C)NC(=O)c1ccccc1Br ZINC000127749909 347843594 /nfs/dbraw/zinc/84/35/94/347843594.db2.gz IECZWSLFHUQPBD-VIFPVBQESA-N 0 0 266.138 2.591 10 30 CFEERN CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C1=O ZINC000144341744 347940717 /nfs/dbraw/zinc/94/07/17/347940717.db2.gz RRLQBWPEQZJIGH-UHFFFAOYSA-N 0 0 276.339 2.854 10 30 CFEERN CC1(C)Cc2c(C#N)c(N3CCOCC3)sc2C(=O)C1 ZINC000141985401 347932777 /nfs/dbraw/zinc/93/27/77/347932777.db2.gz VDMCWHFBKAGMOB-UHFFFAOYSA-N 0 0 290.388 2.611 10 30 CFEERN CC1(C)CC(=O)N(c2ccc(C#Cc3ccccc3)nn2)C1 ZINC000144444557 347941014 /nfs/dbraw/zinc/94/10/14/347941014.db2.gz LDPYGSGCEMTKOA-UHFFFAOYSA-N 0 0 291.354 2.639 10 30 CFEERN C=CCOc1cc2c(cc1C)c(COC)cc(=O)n2C ZINC000136973298 347911602 /nfs/dbraw/zinc/91/16/02/347911602.db2.gz ALGSRWROBPKAGH-UHFFFAOYSA-N 0 0 273.332 2.558 10 30 CFEERN CN[C@@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137176623 347912084 /nfs/dbraw/zinc/91/20/84/347912084.db2.gz CWUWHNXGSOBPQJ-VIFPVBQESA-N 0 0 259.534 2.887 10 30 CFEERN CCCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N ZINC000137070030 347912284 /nfs/dbraw/zinc/91/22/84/347912284.db2.gz BSKMVQCZYPAWBC-NWDGAFQWSA-N 0 0 291.399 2.691 10 30 CFEERN C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)NO ZINC000139371017 347920222 /nfs/dbraw/zinc/92/02/22/347920222.db2.gz XNFQLIYPPNITRA-LLVKDONJSA-N 0 0 257.289 2.626 10 30 CFEERN CCCCCCCCNC(=O)c1ccc(N)c(N)c1 ZINC000139542552 347920456 /nfs/dbraw/zinc/92/04/56/347920456.db2.gz PLFQLOKIMUBIFA-UHFFFAOYSA-N 0 0 263.385 2.941 10 30 CFEERN Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1 ZINC000150332605 347956714 /nfs/dbraw/zinc/95/67/14/347956714.db2.gz GWUDKYXQLUKTBG-UHFFFAOYSA-N 0 0 266.197 2.620 10 30 CFEERN COC(=O)CCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000145266774 347942853 /nfs/dbraw/zinc/94/28/53/347942853.db2.gz RGFYKHTYAZYXJZ-UHFFFAOYSA-N 0 0 272.222 2.890 10 30 CFEERN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086791694 179336524 /nfs/dbraw/zinc/33/65/24/179336524.db2.gz LJXOGEIBKBYWJN-SMDDNHRTSA-N 0 0 258.321 2.558 10 30 CFEERN C=C[C@@H](NN)c1ccc(Br)c(Cl)c1 ZINC000158437773 348006862 /nfs/dbraw/zinc/00/68/62/348006862.db2.gz AXKRUGUPPLUHMH-SECBINFHSA-N 0 0 261.550 2.793 10 30 CFEERN C=C[C@@H](NN)c1ccc(Br)cc1Cl ZINC000158447043 348007249 /nfs/dbraw/zinc/00/72/49/348007249.db2.gz MSBWHVITHKFJLZ-SECBINFHSA-N 0 0 261.550 2.793 10 30 CFEERN CC(C)[C@H](C)NC(=O)NCc1ccc(C#N)cc1F ZINC000171482579 348077101 /nfs/dbraw/zinc/07/71/01/348077101.db2.gz HXNHGOQPXFZJLK-JTQLQIEISA-N 0 0 263.316 2.541 10 30 CFEERN CN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccs1 ZINC000165281281 348038613 /nfs/dbraw/zinc/03/86/13/348038613.db2.gz UQKSGVVKGQUDQT-VAENJDROSA-N 0 0 287.455 2.637 10 30 CFEERN O=C(c1ccc(Br)s1)C1=CCCO1 ZINC000168091296 348047117 /nfs/dbraw/zinc/04/71/17/348047117.db2.gz GFEKQRZRVNKMAX-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN COc1c(Br)ccc(CC#N)c1OC ZINC000217836294 348165815 /nfs/dbraw/zinc/16/58/15/348165815.db2.gz IEUQKVGGCKQMRG-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN C#CC[C@@](C)(O)c1ccc(I)cc1 ZINC000235419132 348227320 /nfs/dbraw/zinc/22/73/20/348227320.db2.gz GFHAUFLIMJUKAX-LLVKDONJSA-N 0 0 286.112 2.522 10 30 CFEERN C#C[C@@H](NC)c1ccc(Cl)cc1Br ZINC000234448899 348220512 /nfs/dbraw/zinc/22/05/12/348220512.db2.gz PQJWSTNAORUUHJ-SNVBAGLBSA-N 0 0 258.546 2.996 10 30 CFEERN C#CCCC(=O)c1ccc(Br)cc1N ZINC000226681943 348184884 /nfs/dbraw/zinc/18/48/84/348184884.db2.gz ULCKUNPAZGVCNZ-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN CC#CCC(=O)c1ccc(Br)cc1N ZINC000226680384 348184963 /nfs/dbraw/zinc/18/49/63/348184963.db2.gz DYQIVGHFCNGXEB-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN C=C[C@H](C)Nc1ccc(I)cc1N ZINC000229314669 348200713 /nfs/dbraw/zinc/20/07/13/348200713.db2.gz RZYYJFUMNHCWLL-ZETCQYMHSA-N 0 0 288.132 2.860 10 30 CFEERN CC[C@H](C#N)Oc1cc(N)ccc1Br ZINC000230795488 348206960 /nfs/dbraw/zinc/20/69/60/348206960.db2.gz MRPUCJLQIOTPKH-MRVPVSSYSA-N 0 0 255.115 2.712 10 30 CFEERN C#CC(C)(C)Oc1ncc(Br)cc1F ZINC000232582426 348211938 /nfs/dbraw/zinc/21/19/38/348211938.db2.gz AKYLMIJXYHHJPG-UHFFFAOYSA-N 0 0 258.090 2.774 10 30 CFEERN C=CC[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 ZINC000238092621 348244882 /nfs/dbraw/zinc/24/48/82/348244882.db2.gz WMVSUBZDFSSOAU-CQSZACIVSA-N 0 0 255.358 2.572 10 30 CFEERN N#CCc1ccc(OC(F)(F)F)nc1Br ZINC000238534272 348247331 /nfs/dbraw/zinc/24/73/31/348247331.db2.gz WTEFMMDMPJMNBV-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C=C[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000301052787 348371460 /nfs/dbraw/zinc/37/14/60/348371460.db2.gz WWAPAKKYWAQPCL-JGVFFNPUSA-N 0 0 259.758 2.780 10 30 CFEERN O=C[C@@H]1CC[C@@H](c2ccccc2Br)O1 ZINC000306238547 348385313 /nfs/dbraw/zinc/38/53/13/348385313.db2.gz JDMLBCWWNMDUKB-KWQFWETISA-N 0 0 255.111 2.868 10 30 CFEERN N#Cc1cccn1Cc1cccc(Br)n1 ZINC000306657343 348390490 /nfs/dbraw/zinc/39/04/90/348390490.db2.gz HVPLEYMJNNPKML-UHFFFAOYSA-N 0 0 262.110 2.566 10 30 CFEERN Cc1cc([N+](=O)[O-])cc(Br)c1CC#N ZINC000306726200 348391918 /nfs/dbraw/zinc/39/19/18/348391918.db2.gz YTBGJIOWKMQAQA-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN CC[C@H]1CC[C@@](C#N)(CCCS(=O)(=O)CC)C1 ZINC000087996825 179533230 /nfs/dbraw/zinc/53/32/30/179533230.db2.gz RJEVGYYRGCZOCV-STQMWFEESA-N 0 0 257.399 2.921 10 30 CFEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(N)=O ZINC000514269351 348640003 /nfs/dbraw/zinc/64/00/03/348640003.db2.gz FVACWRVWVWJMOG-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN C=C[C@H](O)[C@@H](CO[C@H]1CCCCO1)Cc1ccccc1 ZINC000584596566 348683574 /nfs/dbraw/zinc/68/35/74/348683574.db2.gz KLGZXZKCFZMFBG-IKGGRYGDSA-N 0 0 276.376 2.935 10 30 CFEERN C[C@H]1C[C@@H]1C(=O)Nc1cnc(-c2ccc(C#N)c(F)c2)cn1 ZINC000584602047 348685645 /nfs/dbraw/zinc/68/56/45/348685645.db2.gz OIGJHJJQNSBGIJ-CABZTGNLSA-N 0 0 296.305 2.749 10 30 CFEERN C[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000584608152 348688616 /nfs/dbraw/zinc/68/86/16/348688616.db2.gz ZPMFDWLQSRWXIX-KWQFWETISA-N 0 0 275.226 2.901 10 30 CFEERN COc1ccc([C@H](CCO)[C@H](C#N)c2ccccn2)cc1 ZINC000584628752 348694784 /nfs/dbraw/zinc/69/47/84/348694784.db2.gz QZYUWVQZSOQBJG-HOTGVXAUSA-N 0 0 282.343 2.864 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1ncccc1F ZINC000584629250 348695085 /nfs/dbraw/zinc/69/50/85/348695085.db2.gz MESFMMGUSKFFER-KBPBESRZSA-N 0 0 270.307 2.994 10 30 CFEERN Cc1ccccc1C1=CC[C@@H](OS(C)(=O)=O)CC1 ZINC000584631457 348696042 /nfs/dbraw/zinc/69/60/42/348696042.db2.gz RCXLDGGBDSVAJY-CYBMUJFWSA-N 0 0 266.362 2.907 10 30 CFEERN N#C[C@H](c1cccnc1)[C@H](CCO)c1ccccc1F ZINC000584633342 348696372 /nfs/dbraw/zinc/69/63/72/348696372.db2.gz DJUNEYADWRPJNT-UKRRQHHQSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1cccnc1)[C@H](CCO)c1ccc([N+](=O)[O-])cc1 ZINC000584633363 348696564 /nfs/dbraw/zinc/69/65/64/348696564.db2.gz GTLBDWPVAUXXFW-CVEARBPZSA-N 0 0 297.314 2.763 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cccnc1F ZINC000584634002 348697144 /nfs/dbraw/zinc/69/71/44/348697144.db2.gz WTUIQLQFQKOXND-DZGCQCFKSA-N 0 0 270.307 2.994 10 30 CFEERN COc1cc([C@H](CCO)[C@@H](C#N)c2ccccc2)ccn1 ZINC000584637382 348698851 /nfs/dbraw/zinc/69/88/51/348698851.db2.gz SRFNTBPTAJHKAL-HOTGVXAUSA-N 0 0 282.343 2.864 10 30 CFEERN C=C(Br)[C@@H]1CN=C(c2ccc(C#N)cc2)O1 ZINC000584637166 348698860 /nfs/dbraw/zinc/69/88/60/348698860.db2.gz ZLGIHSKGZCEXAU-NSHDSACASA-N 0 0 277.121 2.612 10 30 CFEERN N#C[C@@H](c1ccc(F)cc1F)[C@H](CCO)c1cnco1 ZINC000584638573 348699549 /nfs/dbraw/zinc/69/95/49/348699549.db2.gz MFBSMZIMSBEKMT-RYUDHWBXSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@H](c1ccc(F)c(F)c1)[C@H](CCO)c1cnco1 ZINC000584638565 348699795 /nfs/dbraw/zinc/69/97/95/348699795.db2.gz LXXWKPOPDJQMLQ-WDEREUQCSA-N 0 0 278.258 2.726 10 30 CFEERN CC(C)(C)[S@](=O)/N=C/N1C=C(C(F)(F)F)C=CC1 ZINC000584644573 348700825 /nfs/dbraw/zinc/70/08/25/348700825.db2.gz CNXINBBUEACULS-KWJIGKFDSA-N 0 0 280.315 2.795 10 30 CFEERN C=CCOc1ccc(O[C@H]2CCCCO2)cc1O ZINC000584651027 348701931 /nfs/dbraw/zinc/70/19/31/348701931.db2.gz QDQFIXKEAVWJJP-AWEZNQCLSA-N 0 0 250.294 2.862 10 30 CFEERN CCC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1cccc(OC)c1 ZINC000584654367 348702472 /nfs/dbraw/zinc/70/24/72/348702472.db2.gz YYEQAOFJASBLIW-GXTWGEPZSA-N 0 0 265.309 2.671 10 30 CFEERN Cc1nn(C)c(N(Cc2ccsc2)C2CC2)c1C#N ZINC000104310985 185963225 /nfs/dbraw/zinc/96/32/25/185963225.db2.gz UHSQSOTWCTUXFO-UHFFFAOYSA-N 0 0 272.377 2.831 10 30 CFEERN CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000593450033 349273381 /nfs/dbraw/zinc/27/33/81/349273381.db2.gz IVVKDGUIUNCODP-QWRGUYRKSA-N 0 0 263.366 2.746 10 30 CFEERN C=CCN1C[C@@H](c2ccc(Br)cc2)OCC1=O ZINC000090750605 180035715 /nfs/dbraw/zinc/03/57/15/180035715.db2.gz JXBCSRRHKYEMOP-LBPRGKRZSA-N 0 0 296.164 2.535 10 30 CFEERN C=CCCOc1nc(Cl)cn(Cc2ccccc2)c1=O ZINC000090750527 180035847 /nfs/dbraw/zinc/03/58/47/180035847.db2.gz ZCDRZGARSCGBPE-UHFFFAOYSA-N 0 0 290.750 2.900 10 30 CFEERN N#Cc1c(Cl)cccc1N[C@H]1CCC[C@H](O)C1 ZINC000603865944 351187945 /nfs/dbraw/zinc/18/79/45/351187945.db2.gz VYPVJOWXSXUEHB-UWVGGRQHSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)cc1Cl ZINC000609500911 351504234 /nfs/dbraw/zinc/50/42/34/351504234.db2.gz PONCOUUBKBXTML-ZYHUDNBSSA-N 0 0 250.729 2.927 10 30 CFEERN Cc1cnn(CCNc2cc(Cl)ccc2C#N)c1 ZINC000122884899 187057620 /nfs/dbraw/zinc/05/76/20/187057620.db2.gz WHEQDWSUSJQXKT-UHFFFAOYSA-N 0 0 260.728 2.829 10 30 CFEERN N#Cc1ccccc1[C@@H]1c2ccccc2CCN1C(N)=O ZINC000616679404 352410121 /nfs/dbraw/zinc/41/01/21/352410121.db2.gz GYVRMZZMCYGHNP-INIZCTEOSA-N 0 0 277.327 2.584 10 30 CFEERN C=CCN(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000153520388 188087299 /nfs/dbraw/zinc/08/72/99/188087299.db2.gz CCHLKABZCATSRH-VIFPVBQESA-N 0 0 254.280 2.853 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)CC=C ZINC000160647027 188484305 /nfs/dbraw/zinc/48/43/05/188484305.db2.gz JMHIMJMTICRUMT-ZQDZILKHSA-N 0 0 292.423 2.564 10 30 CFEERN C[C@H]1C[C@@H](O)CN(c2ccc(C#N)cc2Br)C1 ZINC000334812697 291088597 /nfs/dbraw/zinc/08/85/97/291088597.db2.gz MPAGVORMHSGUAN-GXSJLCMTSA-N 0 0 295.180 2.528 10 30 CFEERN N#Cc1ccc(N2CCc3c(N)cccc3C2)c(F)c1 ZINC000038033008 283169576 /nfs/dbraw/zinc/16/95/76/283169576.db2.gz PYQCYADGKSNDFX-UHFFFAOYSA-N 0 0 267.307 2.842 10 30 CFEERN C[C@H]1C[C@@H]1Nc1ncc(Br)cc1C#N ZINC000297074274 200077919 /nfs/dbraw/zinc/07/79/19/200077919.db2.gz JOYHBMRFZSJTIA-RCOVLWMOSA-N 0 0 252.115 2.536 10 30 CFEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000176863243 189012355 /nfs/dbraw/zinc/01/23/55/189012355.db2.gz YGOKTBXEHYHWRZ-KGLIPLIRSA-N 0 0 276.380 2.856 10 30 CFEERN C#CCCCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000179647285 189209691 /nfs/dbraw/zinc/20/96/91/189209691.db2.gz HZLGAONIHGQABZ-CQSZACIVSA-N 0 0 257.333 2.820 10 30 CFEERN C[C@H]1C[C@H](C(=O)Nc2nn(C)cc2C#N)CC(C)(C)C1 ZINC000180850277 189279181 /nfs/dbraw/zinc/27/91/81/189279181.db2.gz IVDDDVDOHAIIMI-QWRGUYRKSA-N 0 0 274.368 2.693 10 30 CFEERN Cc1nc(CNc2nccc(C#N)c2[N+](=O)[O-])c(C)s1 ZINC000301828122 201220570 /nfs/dbraw/zinc/22/05/70/201220570.db2.gz GAXWHDVSZWWANE-UHFFFAOYSA-N 0 0 289.320 2.547 10 30 CFEERN CCc1cnc([C@@H](C)Nc2ccc(C#N)nn2)s1 ZINC000301955583 201275782 /nfs/dbraw/zinc/27/57/82/201275782.db2.gz KRTPSOQELRUDSF-MRVPVSSYSA-N 0 0 259.338 2.540 10 30 CFEERN CC(=O)c1ccc(C#N)cc1NC[C@@H](O)C(C)(C)C 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O=C(NOC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001048665 371657665 /nfs/dbraw/zinc/65/76/65/371657665.db2.gz MNEREIPPNVLVLZ-UHFFFAOYSA-N 0 0 275.691 2.842 10 30 CFEERN CCOCc1cc(/C(C)=N/N)ccc1OC(C)C ZINC000012650997 371979011 /nfs/dbraw/zinc/97/90/11/371979011.db2.gz IFEVHVDUYAQBQQ-LFIBNONCSA-N 0 0 250.342 2.693 10 30 CFEERN C[C@@H](NNC(=S)N1CCC(C)CC1)c1ccccn1 ZINC000027300723 372336644 /nfs/dbraw/zinc/33/66/44/372336644.db2.gz XORDLVNKKLPLMU-GFCCVEGCSA-N 0 0 278.425 2.665 10 30 CFEERN CCOC(=O)/C(=C\c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000033365414 372491880 /nfs/dbraw/zinc/49/18/80/372491880.db2.gz KFPZCHSGHBGUPC-JXMROGBWSA-N 0 0 255.657 2.521 10 30 CFEERN Cc1nn(C)c(C)c1/C=C\C(=O)c1ccc(O)cc1 ZINC000033523441 372496514 /nfs/dbraw/zinc/49/65/14/372496514.db2.gz RMXLVBGAJLITFE-HJWRWDBZSA-N 0 0 256.305 2.639 10 30 CFEERN CCNc1c(C#N)c(Cl)c(C#N)c(NCC)c1C#N ZINC000033855469 372501792 /nfs/dbraw/zinc/50/17/92/372501792.db2.gz ZWROEXSBSIUEIM-UHFFFAOYSA-N 0 0 273.727 2.819 10 30 CFEERN C=C(C)CN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000034955646 372520260 /nfs/dbraw/zinc/52/02/60/372520260.db2.gz DZJOUDLACDNVLI-UHFFFAOYSA-N 0 0 294.420 2.631 10 30 CFEERN C=CCO[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000036314497 372572218 /nfs/dbraw/zinc/57/22/18/372572218.db2.gz PPWQSFBRDPSYHK-INIZCTEOSA-N 0 0 273.376 2.813 10 30 CFEERN C[C@@H](C#N)Oc1cccc(I)c1 ZINC000044287017 372999613 /nfs/dbraw/zinc/99/96/13/372999613.db2.gz LPXDSQQUNCHHOM-ZETCQYMHSA-N 0 0 273.073 2.582 10 30 CFEERN C[C@H](NC(=O)CC#N)c1cccc(Br)c1 ZINC000049570131 373310229 /nfs/dbraw/zinc/31/02/29/373310229.db2.gz ITOMKQDKUFDIBE-QMMMGPOBSA-N 0 0 267.126 2.540 10 30 CFEERN COC(=O)[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000051814435 373413061 /nfs/dbraw/zinc/41/30/61/373413061.db2.gz MWNDRGXFTXFYOI-KRWDZBQOSA-N 0 0 279.339 2.542 10 30 CFEERN CCOc1cc(C#N)ccc1OCc1nccn1CC ZINC000052345223 373443104 /nfs/dbraw/zinc/44/31/04/373443104.db2.gz HNEZVEMCQGKPOR-UHFFFAOYSA-N 0 0 271.320 2.752 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1 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ZINC000126945163 377254840 /nfs/dbraw/zinc/25/48/40/377254840.db2.gz UQCIEDXUPSSAGZ-KBPBESRZSA-N 0 0 261.365 2.861 10 30 CFEERN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)O1 ZINC000127066689 377262853 /nfs/dbraw/zinc/26/28/53/377262853.db2.gz IXGLBYIXRHDDEE-HUUCEWRRSA-N 0 0 288.391 2.978 10 30 CFEERN Cn1cc([C@@H]2CCCN2Cc2ccc(C#N)s2)cn1 ZINC000131933979 377779981 /nfs/dbraw/zinc/77/99/81/377779981.db2.gz OCCWPXOFYPHBCQ-AWEZNQCLSA-N 0 0 272.377 2.690 10 30 CFEERN C=CCC[C@@H](O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000132049901 377796035 /nfs/dbraw/zinc/79/60/35/377796035.db2.gz ZHCKNGGQSOMJFR-CYBMUJFWSA-N 0 0 291.395 2.633 10 30 CFEERN C[C@@]1(CO)CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000132762102 377873953 /nfs/dbraw/zinc/87/39/53/377873953.db2.gz UUNMSIYTRBZOSB-CQSZACIVSA-N 0 0 264.756 2.810 10 30 CFEERN C=CC(=O)c1cccc(I)c1 ZINC000150315525 378269094 /nfs/dbraw/zinc/26/90/94/378269094.db2.gz LDOIIKPYUHQHMW-UHFFFAOYSA-N 0 0 258.058 2.660 10 30 CFEERN O=CCn1ncc2cc(Oc3ccc(F)cc3)ncc21 ZINC000141688675 378243054 /nfs/dbraw/zinc/24/30/54/378243054.db2.gz RFGMEQCZVMRFCD-UHFFFAOYSA-N 0 0 271.251 2.562 10 30 CFEERN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000152707607 378439037 /nfs/dbraw/zinc/43/90/37/378439037.db2.gz XHIGKEJSUSRGNM-OCCSQVGLSA-N 0 0 266.385 2.732 10 30 CFEERN CC#CCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000155338191 378622179 /nfs/dbraw/zinc/62/21/79/378622179.db2.gz MCQSGKLZYGYXIS-CQSZACIVSA-N 0 0 272.396 2.555 10 30 CFEERN C=C(Br)CN[C@H]1CCc2c1cccc2O ZINC000168223408 379083088 /nfs/dbraw/zinc/08/30/88/379083088.db2.gz YAOVXMVCAHZFIE-NSHDSACASA-N 0 0 268.154 2.878 10 30 CFEERN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CCS1 ZINC000171364614 379290161 /nfs/dbraw/zinc/29/01/61/379290161.db2.gz CIXJGJFIPLVHGU-NSHDSACASA-N 0 0 275.377 2.722 10 30 CFEERN C[C@@H]1CCCN(c2cc(NCCCCC#N)ncn2)C1 ZINC000171543985 379335178 /nfs/dbraw/zinc/33/51/78/379335178.db2.gz UJRSPGSVCZWSME-CYBMUJFWSA-N 0 0 273.384 2.819 10 30 CFEERN Cc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 ZINC000000006471 169505170 /nfs/dbraw/zinc/50/51/70/169505170.db2.gz SWGDXLAZBZDUBR-UHFFFAOYSA-N 0 0 286.356 2.590 10 30 in-vivo CFEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OCCCC#N)C1 ZINC000174220837 379845478 /nfs/dbraw/zinc/84/54/78/379845478.db2.gz NDGMOUKXULJNSM-NEPJUHHUSA-N 0 0 296.367 2.527 10 30 CFEERN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000176014416 380168606 /nfs/dbraw/zinc/16/86/06/380168606.db2.gz UKEVLUOSIAARKH-GFCCVEGCSA-N 0 0 286.360 2.710 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ncsc2c1 ZINC000336080245 380262354 /nfs/dbraw/zinc/26/23/54/380262354.db2.gz DBRXTRTYLJVLQJ-WDEREUQCSA-N 0 0 271.345 2.718 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000178021363 380401764 /nfs/dbraw/zinc/40/17/64/380401764.db2.gz YNWKYGUOUBFTEK-WBMJQRKESA-N 0 0 284.359 2.617 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000180548392 380674145 /nfs/dbraw/zinc/67/41/45/380674145.db2.gz IFDGXKZVUODNED-PWSUYJOCSA-N 0 0 299.296 2.619 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1cc(C#N)ccn1 ZINC000342301171 381260315 /nfs/dbraw/zinc/26/03/15/381260315.db2.gz ZGUYLXIPSPKLNC-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN N#Cc1cccc(NCCOCCc2ccccc2)n1 ZINC000301262356 382126826 /nfs/dbraw/zinc/12/68/26/382126826.db2.gz GNMGGLHRRQVWPW-UHFFFAOYSA-N 0 0 267.332 2.624 10 30 CFEERN CC(C)(C)c1nc(CNc2nccnc2C#N)cs1 ZINC000301182180 382099907 /nfs/dbraw/zinc/09/99/07/382099907.db2.gz NJKTWIBCTHGSGP-UHFFFAOYSA-N 0 0 273.365 2.714 10 30 CFEERN C=CCO[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000302142948 382210075 /nfs/dbraw/zinc/21/00/75/382210075.db2.gz JWGHMQVTPZNFIX-JTQLQIEISA-N 0 0 296.298 2.524 10 30 CFEERN C=CCO[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000302201803 382213123 /nfs/dbraw/zinc/21/31/23/382213123.db2.gz ZPRFHACRSWEUPD-SNVBAGLBSA-N 0 0 296.298 2.524 10 30 CFEERN C=CCO[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302199672 382213854 /nfs/dbraw/zinc/21/38/54/382213854.db2.gz YUKRYLGKMICICA-ZDUSSCGKSA-N 0 0 262.740 2.993 10 30 CFEERN Cc1ccc(NC(=O)[C@H](C#N)Cc2ccccc2)nc1 ZINC000000419813 169635839 /nfs/dbraw/zinc/63/58/39/169635839.db2.gz FVLMRQMJYGSSMA-AWEZNQCLSA-N 0 0 265.316 2.711 10 30 CFEERN CC[C@H]1CN(c2cc(C)nc(C)c2C#N)C[C@@H](C)O1 ZINC000301772715 382191277 /nfs/dbraw/zinc/19/12/77/382191277.db2.gz JYHVYQVWEZXEKR-YPMHNXCESA-N 0 0 259.353 2.574 10 30 CFEERN N#Cc1nc(Oc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000302726820 382302584 /nfs/dbraw/zinc/30/25/84/382302584.db2.gz OCYYWIVQIQULCS-UHFFFAOYSA-N 0 0 286.203 2.562 10 30 CFEERN CCC[C@@]1(COC)CCCN1c1ccc(C#N)cn1 ZINC000302804071 382323424 /nfs/dbraw/zinc/32/34/24/382323424.db2.gz DWMUWIZABRIFNQ-HNNXBMFYSA-N 0 0 259.353 2.739 10 30 CFEERN C#C[C@H](Nc1nc(C)ncc1Br)C(C)C ZINC000306488258 382457130 /nfs/dbraw/zinc/45/71/30/382457130.db2.gz JXJCHGSIDXZJKJ-JTQLQIEISA-N 0 0 268.158 2.617 10 30 CFEERN Cc1nc(I)c(Cl)cc1C#N ZINC000306702825 382460496 /nfs/dbraw/zinc/46/04/96/382460496.db2.gz BGNSIFOSAWEBQY-UHFFFAOYSA-N 0 0 278.480 2.520 10 30 CFEERN 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/nfs/dbraw/zinc/78/26/86/382782686.db2.gz GHBMXDVKGYLBIR-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#Cc1cc([N+](=O)[O-])cc(OC(F)F)c1OC(F)(F)F ZINC000575668969 382783289 /nfs/dbraw/zinc/78/32/89/382783289.db2.gz WEIMMLOITVFXNP-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1c(C#N)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575670479 382783506 /nfs/dbraw/zinc/78/35/06/382783506.db2.gz ISUUBSXGAHRYOE-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1OCC ZINC000575670434 382783587 /nfs/dbraw/zinc/78/35/87/382783587.db2.gz HOFMTANHTWCNLC-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOC(=O)c1cc(OCC)cc(C#N)c1OC(F)F ZINC000575669982 382783667 /nfs/dbraw/zinc/78/36/67/382783667.db2.gz AWYUUNWALOZPSX-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(I)c(C)cc1C#N ZINC000575670517 382783683 /nfs/dbraw/zinc/78/36/83/382783683.db2.gz KSNRIKAHWLXLNZ-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(C#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575671282 382783910 /nfs/dbraw/zinc/78/39/10/382783910.db2.gz PXQULHCWFQVASK-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN N#Cc1cc([N+](=O)[O-])c(Br)cc1Cl ZINC000575676726 382784651 /nfs/dbraw/zinc/78/46/51/382784651.db2.gz GAEGOBGJDRAHJL-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1c(Cl)c(Br)ccc1[N+](=O)[O-] ZINC000575677275 382784686 /nfs/dbraw/zinc/78/46/86/382784686.db2.gz ITZWWYCQWVHGFZ-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN C=CCC[C@@H](OCC=C)c1c([N+](=O)[O-])cnn1C ZINC000216873673 382784727 /nfs/dbraw/zinc/78/47/27/382784727.db2.gz OYPSPZXSYUDUDW-LLVKDONJSA-N 0 0 251.286 2.538 10 30 CFEERN N#Cc1cc(Cl)c(Br)c([N+](=O)[O-])c1 ZINC000575677722 382784917 /nfs/dbraw/zinc/78/49/17/382784917.db2.gz NUUXKOXUAZGCSU-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#CCc1cc(O)cc(Br)c1OC(F)F ZINC000575681972 382786159 /nfs/dbraw/zinc/78/61/59/382786159.db2.gz INNGYOJLBPBZCT-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(N)ccc(OC(F)F)c1C(F)(F)F ZINC000575716968 382795232 /nfs/dbraw/zinc/79/52/32/382795232.db2.gz KBKYQRFDXRVZRD-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1ccc(OC(F)(F)F)c(N)c1OC(F)F ZINC000575717789 382795239 /nfs/dbraw/zinc/79/52/39/382795239.db2.gz UPGVJPIDVOKDNI-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1c(O)ccc(OC(F)(F)F)c1Br ZINC000575691167 382789102 /nfs/dbraw/zinc/78/91/02/382789102.db2.gz JHYAMTPGYBYSGH-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#CCc1c(O)cc(Br)cc1Br ZINC000575696132 382789810 /nfs/dbraw/zinc/78/98/10/382789810.db2.gz ZDQQUEKCVZNBBH-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN Cc1cc(CC#N)cc(F)c1I ZINC000575705173 382792273 /nfs/dbraw/zinc/79/22/73/382792273.db2.gz JMYCWOCPMDJUOE-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1Br ZINC000575341604 382759345 /nfs/dbraw/zinc/75/93/45/382759345.db2.gz ILGXNTKHPZWOQX-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)c1cc(OC(F)F)c(C#N)cc1Cl ZINC000575342980 382759381 /nfs/dbraw/zinc/75/93/81/382759381.db2.gz FKSWDAXPBXZPOU-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN COC(=O)c1c(Cl)cc(C#N)cc1OC(F)F ZINC000575343037 382759667 /nfs/dbraw/zinc/75/96/67/382759667.db2.gz VYQRNHXZBVFXJO-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)cc1C ZINC000575344122 382760041 /nfs/dbraw/zinc/76/00/41/382760041.db2.gz PEYVGEFPYNOECP-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cc(C(F)F)cc([N+](=O)[O-])c1C#N ZINC000575344138 382760050 /nfs/dbraw/zinc/76/00/50/382760050.db2.gz QFHPPXWRLFPOMH-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1c(F)cc(C#N)cc1C(F)(F)F ZINC000575344852 382760359 /nfs/dbraw/zinc/76/03/59/382760359.db2.gz BRDBEVKHBKZGGE-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C#N)ccc1C(F)(F)F ZINC000575345193 382760370 /nfs/dbraw/zinc/76/03/70/382760370.db2.gz GCRROEGRYLLDPF-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN COC1=C/C(=C\N(O)c2ccc(C)cc2)C=CC1=O ZINC000575362680 382761390 /nfs/dbraw/zinc/76/13/90/382761390.db2.gz YWLLLVLMILDODI-BENRWUELSA-N 0 0 257.289 2.744 10 30 CFEERN C/N=C1/N=C2c3ccccc3CN2Cc2ccccc21 ZINC000226822752 382831385 /nfs/dbraw/zinc/83/13/85/382831385.db2.gz MJWMUFVZNHKNJL-FBMGVBCBSA-N 0 0 261.328 2.839 10 30 CFEERN C[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000230055148 382855144 /nfs/dbraw/zinc/85/51/44/382855144.db2.gz ONIARGWLDODXAW-DOMZBBRYSA-N 0 0 256.349 2.953 10 30 CFEERN CCS[C@@H]1CC[C@@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000230185777 382857218 /nfs/dbraw/zinc/85/72/18/382857218.db2.gz QWSBJBXUROGERU-GHMZBOCLSA-N 0 0 292.364 2.948 10 30 CFEERN N#Cc1nc(NCCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000236161969 382892916 /nfs/dbraw/zinc/89/29/16/382892916.db2.gz LNXKJRFKEMDMEG-UHFFFAOYSA-N 0 0 286.266 2.655 10 30 CFEERN C=CCC[C@H](O)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000245976505 383055197 /nfs/dbraw/zinc/05/51/97/383055197.db2.gz CBNFRXJWYNYJAK-QWHCGFSZSA-N 0 0 279.384 2.657 10 30 CFEERN COc1ccc(OC)c(C=Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000254400610 383466641 /nfs/dbraw/zinc/46/66/41/383466641.db2.gz RVYRRBYXSBBCMI-UHFFFAOYSA-N 0 0 297.314 2.624 10 30 CFEERN O=C1Nc2ccccc2/C1=N\N=Cc1cccs1 ZINC000254440896 383468387 /nfs/dbraw/zinc/46/83/87/383468387.db2.gz LSUZCDDXFIBSPH-UHFFFAOYSA-N 0 0 255.302 2.523 10 30 CFEERN COc1ccc(C=Nc2cccc(C(N)=O)c2)cc1OC ZINC000254826006 383471093 /nfs/dbraw/zinc/47/10/93/383471093.db2.gz CZYMRTWVHXNNBW-UHFFFAOYSA-N 0 0 284.315 2.553 10 30 CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@@H]23)c([N+](=O)[O-])c1 ZINC000005866398 285119541 /nfs/dbraw/zinc/11/95/41/285119541.db2.gz GCEQJUADWFNJDR-RFYJKVLUSA-N 0 0 288.263 2.867 10 30 CFEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H]1CCCCO1 ZINC000329240734 227374952 /nfs/dbraw/zinc/37/49/52/227374952.db2.gz MXRXMCJEPRYNKD-RYUDHWBXSA-N 0 0 268.357 2.659 10 30 CFEERN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCCC1 ZINC000000542129 169665171 /nfs/dbraw/zinc/66/51/71/169665171.db2.gz ZHWQCHYELLCGPN-UHFFFAOYSA-N 0 0 284.275 2.722 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061889406 262404981 /nfs/dbraw/zinc/40/49/81/262404981.db2.gz RCTHEIQNBNFMDT-KWQFWETISA-N 0 0 265.263 2.779 10 30 CFEERN C=CCN(C)c1ccc(I)cc1 ZINC000306589912 393508520 /nfs/dbraw/zinc/50/85/20/393508520.db2.gz UTYAHQCSYASLLR-UHFFFAOYSA-N 0 0 273.117 2.913 10 30 CFEERN Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000334191718 393578695 /nfs/dbraw/zinc/57/86/95/393578695.db2.gz HVJMLBXCQFLIIU-WCQYABFASA-N 0 0 267.332 2.898 10 30 CFEERN N#Cc1cccc(N[C@H]2CCOc3ccccc32)n1 ZINC000080117238 393723943 /nfs/dbraw/zinc/72/39/43/393723943.db2.gz SXNFSXZNNMFRHX-ZDUSSCGKSA-N 0 0 251.289 2.889 10 30 CFEERN C=CCN(Cc1cccs1)Cc1nnc(C2CC2)n1C ZINC000195030940 393728559 /nfs/dbraw/zinc/72/85/59/393728559.db2.gz SJNOAYGAAOKEKL-UHFFFAOYSA-N 0 0 288.420 2.942 10 30 CFEERN N#Cc1cccc2[nH]cc(I)c21 ZINC000089203815 393765360 /nfs/dbraw/zinc/76/53/60/393765360.db2.gz CJTMKWRWOZWUNQ-UHFFFAOYSA-N 0 0 268.057 2.644 10 30 CFEERN C[C@@H]1CN(C)c2ccccc2CN1c1ccc(C#N)cn1 ZINC000267896455 393989596 /nfs/dbraw/zinc/98/95/96/393989596.db2.gz WMAKSLFQUXHQJP-CYBMUJFWSA-N 0 0 278.359 2.798 10 30 CFEERN N#C[C@@H]1CCC[C@H]1N1CCN(c2ccccc2)CC1 ZINC000037145937 134832299 /nfs/dbraw/zinc/83/22/99/134832299.db2.gz ULTTVMVBZCKSQR-GOEBONIOSA-N 0 0 255.365 2.501 10 30 CFEERN C#CCNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151249426 394262001 /nfs/dbraw/zinc/26/20/01/394262001.db2.gz NYWNQKXBIHTKOE-CQSZACIVSA-N 0 0 284.359 2.755 10 30 CFEERN Fc1ccc(C#CCN2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000156208522 394330707 /nfs/dbraw/zinc/33/07/07/394330707.db2.gz ZGOPDSJEHWDRDJ-IRXDYDNUSA-N 0 0 273.351 2.821 10 30 CFEERN N#CCCn1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000156463550 394333754 /nfs/dbraw/zinc/33/37/54/394333754.db2.gz MDADRZWWBZRVSM-KBPBESRZSA-N 0 0 286.379 2.952 10 30 CFEERN C=CC(=O)C[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405470003 543018332 /nfs/dbraw/zinc/01/83/32/543018332.db2.gz YCLMRPHNHCDJAX-ZYHUDNBSSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000405449460 543018850 /nfs/dbraw/zinc/01/88/50/543018850.db2.gz NJAPEEAKPMNBDN-CQSZACIVSA-N 0 0 253.342 2.779 10 30 CFEERN C=C(C)C(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405527240 543019783 /nfs/dbraw/zinc/01/97/83/543019783.db2.gz YDBKMWDCDMMPMT-CQSZACIVSA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405601154 543021159 /nfs/dbraw/zinc/02/11/59/543021159.db2.gz MONYNIAWSOOEEO-QWRGUYRKSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000405597065 543021410 /nfs/dbraw/zinc/02/14/10/543021410.db2.gz JQTAJRIJJZHRHX-LLVKDONJSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405685443 543022735 /nfs/dbraw/zinc/02/27/35/543022735.db2.gz VTJUUNHKSNQDDA-MNOVXSKESA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000406004284 543028883 /nfs/dbraw/zinc/02/88/83/543028883.db2.gz RHJFCQAWEUBCNG-MNOVXSKESA-N 0 0 253.342 2.683 10 30 CFEERN C=CCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406039402 543029421 /nfs/dbraw/zinc/02/94/21/543029421.db2.gz BWBSWMLJYIVMMS-LBPRGKRZSA-N 0 0 261.321 2.837 10 30 CFEERN CC#CC[C@@H](O)Cc1cccc(Br)c1 ZINC000051664787 397589924 /nfs/dbraw/zinc/58/99/24/397589924.db2.gz MVAYLBHKVRJQSQ-GFCCVEGCSA-N 0 0 253.139 2.766 10 30 CFEERN Cc1cc(C)c(C#N)c(N2CCC(c3cc[nH]n3)CC2)n1 ZINC000110414636 397598959 /nfs/dbraw/zinc/59/89/59/397598959.db2.gz HNTUDIVXBVQLJP-UHFFFAOYSA-N 0 0 281.363 2.677 10 30 CFEERN N#Cc1cc(Br)cnc1OC1CCC1 ZINC000211564710 397617953 /nfs/dbraw/zinc/61/79/53/397617953.db2.gz USMXFXSJJMRBRB-UHFFFAOYSA-N 0 0 253.099 2.647 10 30 CFEERN COc1ccc2c(c1)CCC[C@@]2(C#N)NCC(F)(F)F ZINC000037971154 286393392 /nfs/dbraw/zinc/39/33/92/286393392.db2.gz XWVYASKPMVVXNZ-ZDUSSCGKSA-N 0 0 284.281 2.902 10 30 CFEERN C=CCOCC(CC)(COCC=C)COCC=C ZINC000005460663 170101316 /nfs/dbraw/zinc/10/13/16/170101316.db2.gz JPTSCQGFFOSLQE-UHFFFAOYSA-N 0 0 254.370 2.991 10 30 CFEERN COc1ccc(OC)c(NC(=N)c2ccccc2)c1 ZINC000005639803 170123179 /nfs/dbraw/zinc/12/31/79/170123179.db2.gz WPIAHWDIBXWUFQ-UHFFFAOYSA-N 0 0 256.305 2.741 10 30 CFEERN N#CCc1nc2ccccc2n1C(=O)c1ccc(F)cc1 ZINC000005729205 170133836 /nfs/dbraw/zinc/13/38/36/170133836.db2.gz PEDVXXMTEHOEGH-UHFFFAOYSA-N 0 0 279.274 2.930 10 30 CFEERN Cc1nc(SCCC2OCCO2)c(C#N)c(C)c1C ZINC000005881538 170149918 /nfs/dbraw/zinc/14/99/18/170149918.db2.gz KXAITKDRYOYXGC-UHFFFAOYSA-N 0 0 278.377 2.734 10 30 CFEERN O=[N+]([O-])c1ccc(C=NN=c2[nH]c3ccccc3o2)o1 ZINC000006244174 170185245 /nfs/dbraw/zinc/18/52/45/170185245.db2.gz VRGGKKOAYKKSEE-NTUHNPAUSA-N 0 0 272.220 2.775 10 30 CFEERN C=CC(=C)CN1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000006495346 170207033 /nfs/dbraw/zinc/20/70/33/170207033.db2.gz OCQQWRJYRKNKJW-LBPRGKRZSA-N 0 0 269.348 2.688 10 30 CFEERN CC(=O)C(=NNc1ccc(C)cc1)Nc1ccccn1 ZINC000006573445 170214808 /nfs/dbraw/zinc/21/48/08/170214808.db2.gz FCDBWFGFDMZULX-UHFFFAOYSA-N 0 0 268.320 2.626 10 30 CFEERN COC(=O)c1ccc(/C=N/N(C)c2ccccc2)cc1 ZINC000007351163 170278745 /nfs/dbraw/zinc/27/87/45/170278745.db2.gz WJBAORNHKFYQGA-SFQUDFHCSA-N 0 0 268.316 2.944 10 30 CFEERN CN(CC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000007589557 170291918 /nfs/dbraw/zinc/29/19/18/170291918.db2.gz FACVQXMXOXOUBN-UHFFFAOYSA-N 0 0 265.316 2.633 10 30 CFEERN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(N)cc1 ZINC000012582234 170498704 /nfs/dbraw/zinc/49/87/04/170498704.db2.gz CWBSAOGCTCWIJW-WOJGMQOQSA-N 0 0 284.388 2.979 10 30 CFEERN N#CC(C#N)(Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013470340 170552780 /nfs/dbraw/zinc/55/27/80/170552780.db2.gz DAHWEHBLTYHQCF-UHFFFAOYSA-N 0 0 264.284 2.625 10 30 CFEERN C=CCNC(=S)Nc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000014569300 170638005 /nfs/dbraw/zinc/63/80/05/170638005.db2.gz PESSYLQYNKVDKK-LLVKDONJSA-N 0 0 291.420 2.687 10 30 CFEERN O=C(c1cccc(Br)c1)N1CCC(=NO)CC1 ZINC000019470728 170804273 /nfs/dbraw/zinc/80/42/73/170804273.db2.gz NCFXVOFNRMSJES-UHFFFAOYSA-N 0 0 297.152 2.515 10 30 CFEERN CCc1cccc(Oc2ncccc2/C(N)=N/O)c1 ZINC000019487012 170812699 /nfs/dbraw/zinc/81/26/99/170812699.db2.gz JYFCHDIFWOMDPS-UHFFFAOYSA-N 0 0 257.293 2.531 10 30 CFEERN N#C[C@@H](NCCCc1ccccc1)c1ccncc1 ZINC000019986582 170961054 /nfs/dbraw/zinc/96/10/54/170961054.db2.gz LCOFYVAGLUEZSU-MRXNPFEDSA-N 0 0 251.333 2.869 10 30 CFEERN CS(=O)(=O)c1ccc(Nc2ccccc2C#N)cc1 ZINC000020077316 170985092 /nfs/dbraw/zinc/98/50/92/170985092.db2.gz KVVJMSVZBVEYJL-UHFFFAOYSA-N 0 0 272.329 2.705 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000020314091 171145681 /nfs/dbraw/zinc/14/56/81/171145681.db2.gz OMBWTVHLAAZVEM-JTQLQIEISA-N 0 0 252.745 2.751 10 30 CFEERN CCCCCNC(=O)[C@@H](C)Oc1ccc(CC#N)cc1 ZINC000020363358 171162551 /nfs/dbraw/zinc/16/25/51/171162551.db2.gz SNSADOBOIKBXEO-CYBMUJFWSA-N 0 0 274.364 2.826 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1ccccc1SC(F)F ZINC000020420240 171185467 /nfs/dbraw/zinc/18/54/67/171185467.db2.gz DWRXBFAKOXARCY-SECBINFHSA-N 0 0 284.331 2.551 10 30 CFEERN CC(C)CCCOCc1cccc(/C(N)=N/O)c1 ZINC000020516419 171232419 /nfs/dbraw/zinc/23/24/19/171232419.db2.gz UZKWSDMEVBAIQV-UHFFFAOYSA-N 0 0 250.342 2.734 10 30 CFEERN N#Cc1ccc(CS(=O)(=O)Nc2ccccc2F)cc1 ZINC000021056454 171296092 /nfs/dbraw/zinc/29/60/92/171296092.db2.gz OSKPKCYXOCFKOR-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN COCc1nn(-c2cccc(C)c2)c(Cl)c1C#N ZINC000021948640 171338937 /nfs/dbraw/zinc/33/89/37/171338937.db2.gz NSEXWHOBOUVSGC-UHFFFAOYSA-N 0 0 261.712 2.852 10 30 CFEERN COC(=O)/C(=C\c1ccc(F)cc1)C(=O)C(C)C ZINC000022054052 171351061 /nfs/dbraw/zinc/35/10/61/171351061.db2.gz YDAOZDSGRPENAG-WQLSENKSSA-N 0 0 250.269 2.607 10 30 CFEERN Cc1cc(N)ccc1NC(=O)c1ccc(C#N)cc1 ZINC000022168721 171367071 /nfs/dbraw/zinc/36/70/71/171367071.db2.gz GKXWOGMSZUHSRO-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN COc1ccc(/C=C\C(=O)c2ccc[nH]2)cc1OC ZINC000033470736 171804906 /nfs/dbraw/zinc/80/49/06/171804906.db2.gz ATVMRJLVVKGFSV-ALCCZGGFSA-N 0 0 257.289 2.928 10 30 CFEERN N#Cc1cccc(Oc2nc3sccn3c2C=O)c1 ZINC000035428500 172196799 /nfs/dbraw/zinc/19/67/99/172196799.db2.gz NUJFOPFJWUVOMR-UHFFFAOYSA-N 0 0 269.285 2.872 10 30 CFEERN COC(=O)C[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000035749134 172396972 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/nfs/dbraw/zinc/20/68/96/174206896.db2.gz GONGMHLEEIEBSN-UHFFFAOYSA-N 0 0 257.337 2.818 10 30 CFEERN Cc1sc(C(=O)Nc2ccccc2C#N)cc1N ZINC000040293810 174222810 /nfs/dbraw/zinc/22/28/10/174222810.db2.gz JTXCZVNKBQQDOI-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN Cc1sc(C(=O)Nc2sccc2C#N)cc1N ZINC000040310683 174230107 /nfs/dbraw/zinc/23/01/07/174230107.db2.gz FFNUFVVLWSNJFY-UHFFFAOYSA-N 0 0 263.347 2.824 10 30 CFEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(Cl)cc1N ZINC000040316439 174232149 /nfs/dbraw/zinc/23/21/49/174232149.db2.gz MLRSROVYYDXSRX-UHFFFAOYSA-N 0 0 288.800 2.509 10 30 CFEERN C=CCN(C(=O)c1cc(Cl)ccc1N)C(C)C ZINC000040329002 174238253 /nfs/dbraw/zinc/23/82/53/174238253.db2.gz JZNVAXYDQJJILJ-UHFFFAOYSA-N 0 0 252.745 2.959 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000040331549 174240126 /nfs/dbraw/zinc/24/01/26/174240126.db2.gz DAVRLHQPTYQJBP-UHFFFAOYSA-N 0 0 288.800 2.507 10 30 CFEERN C=CCNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040598768 174349551 /nfs/dbraw/zinc/34/95/51/174349551.db2.gz SDEBCGNZJQZZCH-UHFFFAOYSA-N 0 0 289.270 2.865 10 30 CFEERN C=CCNc1ncnc(Nc2cccc(C(C)=O)c2)c1N ZINC000040705165 174379704 /nfs/dbraw/zinc/37/97/04/174379704.db2.gz OJERLPGUABETNY-UHFFFAOYSA-N 0 0 283.335 2.603 10 30 CFEERN C=CCNc1ncnc(NCc2ccccc2Cl)c1N ZINC000040709163 174380645 /nfs/dbraw/zinc/38/06/45/174380645.db2.gz YJNHMYREBZBGGK-UHFFFAOYSA-N 0 0 289.770 2.922 10 30 CFEERN CCc1c(C)nn(CC(=O)c2ccc(C#N)cc2)c1C ZINC000040733297 174388604 /nfs/dbraw/zinc/38/86/04/174388604.db2.gz PZWSBYXCZNJYMA-UHFFFAOYSA-N 0 0 267.332 2.817 10 30 CFEERN COc1ccc(COc2ccc(N)cc2C#N)cc1OC ZINC000040887441 174428089 /nfs/dbraw/zinc/42/80/89/174428089.db2.gz QUNXKKWPQYDIGI-UHFFFAOYSA-N 0 0 284.315 2.737 10 30 CFEERN N#Cc1ccc(COC(=O)c2ccc(F)c(N)c2)c(F)c1 ZINC000041097397 174479431 /nfs/dbraw/zinc/47/94/31/174479431.db2.gz PBJKHVHCKRKUAG-UHFFFAOYSA-N 0 0 288.253 2.776 10 30 CFEERN C=C(C)CN1c2c(cccc2Br)C(=O)C1=O ZINC000042100490 174636996 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ZINC000043585361 175071164 /nfs/dbraw/zinc/07/11/64/175071164.db2.gz UEVNCHAERMDEPH-ZDUSSCGKSA-N 0 0 272.348 2.635 10 30 CFEERN CN(Cc1sccc1C#CCO)c1ccccc1 ZINC000043678852 175089574 /nfs/dbraw/zinc/08/95/74/175089574.db2.gz PPEPRVQDNABNHH-UHFFFAOYSA-N 0 0 257.358 2.728 10 30 CFEERN O=C1CCCCCCN1Cc1ccc(C#CCCO)s1 ZINC000043682210 175090915 /nfs/dbraw/zinc/09/09/15/175090915.db2.gz NYWIFHXYVXMOFQ-UHFFFAOYSA-N 0 0 291.416 2.775 10 30 CFEERN CN(C)c1cccc(OCc2sccc2C#CCO)c1 ZINC000043683067 175091338 /nfs/dbraw/zinc/09/13/38/175091338.db2.gz BLIZOJYJCSMXEK-UHFFFAOYSA-N 0 0 287.384 2.737 10 30 CFEERN OCC#Cc1ccc(COc2cccc(F)c2)s1 ZINC000043682560 175091356 /nfs/dbraw/zinc/09/13/56/175091356.db2.gz PANHYBGRPZENQJ-UHFFFAOYSA-N 0 0 262.305 2.810 10 30 CFEERN N#Cc1ccc(OCc2sccc2C#CCCO)cc1 ZINC000043682547 175091365 /nfs/dbraw/zinc/09/13/65/175091365.db2.gz GUTQBHYKNZRBRN-UHFFFAOYSA-N 0 0 283.352 2.933 10 30 CFEERN OCC#Cc1ccsc1COc1cccc(F)c1 ZINC000043682562 175091396 /nfs/dbraw/zinc/09/13/96/175091396.db2.gz SZTDCKXIGFTSFH-UHFFFAOYSA-N 0 0 262.305 2.810 10 30 CFEERN OCC#Cc1csc(CSc2ccccn2)c1 ZINC000043699594 175097195 /nfs/dbraw/zinc/09/71/95/175097195.db2.gz NRRGPNYXPOUCJT-UHFFFAOYSA-N 0 0 261.371 2.779 10 30 CFEERN COc1ccc(-c2cc(N)c(C#N)s2)c(OC)c1OC ZINC000044273462 175158962 /nfs/dbraw/zinc/15/89/62/175158962.db2.gz NYUIUXBTXDBHMI-UHFFFAOYSA-N 0 0 290.344 2.895 10 30 CFEERN C[C@H](C#N)N(C)CCOc1ccc(Br)cc1 ZINC000044287120 175159489 /nfs/dbraw/zinc/15/94/89/175159489.db2.gz KLTRITJPCSCQDM-SNVBAGLBSA-N 0 0 283.169 2.672 10 30 CFEERN N#C[C@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044808940 175257317 /nfs/dbraw/zinc/25/73/17/175257317.db2.gz WPRFKENYXOHYBS-HNNXBMFYSA-N 0 0 256.349 2.771 10 30 CFEERN CC1(NC(=O)c2ccc(C#CCO)c(F)c2)CCCCC1 ZINC000045047648 175297211 /nfs/dbraw/zinc/29/72/11/175297211.db2.gz YMYVXSDVIBYDAV-UHFFFAOYSA-N 0 0 289.350 2.622 10 30 CFEERN C#CCNCc1cc(Cl)cc(OC)c1OC(C)C ZINC000045945377 175388095 /nfs/dbraw/zinc/38/80/95/175388095.db2.gz 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CC[C@@H]1CCCC[C@@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813941 523208516 /nfs/dbraw/zinc/20/85/16/523208516.db2.gz UBHZVAVDCGHELQ-MFKMUULPSA-N 0 0 263.341 2.524 10 30 CFEERN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C#CCO ZINC000049124638 523221399 /nfs/dbraw/zinc/22/13/99/523221399.db2.gz QEWJXQISHACHNO-RHSMWYFYSA-N 0 0 285.387 2.729 10 30 CFEERN COc1ccc(C#CCCO)cc1COC1CCCC1 ZINC000049619845 523510162 /nfs/dbraw/zinc/51/01/62/523510162.db2.gz HHJICXBOWGMGPQ-UHFFFAOYSA-N 0 0 274.360 2.888 10 30 CFEERN COc1ccc(C#CCO)cc1COc1cccc(C)c1 ZINC000049620329 523520418 /nfs/dbraw/zinc/52/04/18/523520418.db2.gz ZXPUEEKTWLITBM-UHFFFAOYSA-N 0 0 282.339 2.926 10 30 CFEERN COc1ccc(COC2CCCC2)cc1C#CCCO ZINC000049619847 524112519 /nfs/dbraw/zinc/11/25/19/524112519.db2.gz YHMAUASLMZACCJ-UHFFFAOYSA-N 0 0 274.360 2.888 10 30 CFEERN COc1ccc(COc2ccccc2F)cc1C#CCO ZINC000049620188 524121150 /nfs/dbraw/zinc/12/11/50/524121150.db2.gz SFKAEYXJXZWIFX-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN Cc1ccc(CN(C)Cc2ccc(F)c(C#CCO)c2)o1 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525778193 /nfs/dbraw/zinc/77/81/93/525778193.db2.gz XWSUSKOGOIKUMQ-MRXNPFEDSA-N 0 0 252.317 2.878 10 30 CFEERN C[C@H](O)c1ccccc1NC(=O)C#Cc1ccccc1 ZINC000049549559 525858066 /nfs/dbraw/zinc/85/80/66/525858066.db2.gz XHIYEVCLPAGRCO-ZDUSSCGKSA-N 0 0 265.312 2.730 10 30 CFEERN COc1cccc(C=O)c1OCC#Cc1ccccc1 ZINC000051814507 525863586 /nfs/dbraw/zinc/86/35/86/525863586.db2.gz AXUCLBMXWVJBEB-UHFFFAOYSA-N 0 0 266.296 2.938 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1ccc(C#CCO)s1 ZINC000050436699 526004843 /nfs/dbraw/zinc/00/48/43/526004843.db2.gz CBPCNMNZAVKLAB-UHFFFAOYSA-N 0 0 296.351 2.524 10 30 CFEERN Cc1ccc(C#N)cc1N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000050430098 526009479 /nfs/dbraw/zinc/00/94/79/526009479.db2.gz JOLFUOMIILNEJD-OAHLLOKOSA-N 0 0 298.367 2.807 10 30 CFEERN Cc1cnc([C@@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])o1 ZINC000231779257 526129427 /nfs/dbraw/zinc/12/94/27/526129427.db2.gz HIQITUOWNOWXFV-SECBINFHSA-N 0 0 272.264 2.936 10 30 CFEERN Cc1cnc([C@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])o1 ZINC000231779261 526161706 /nfs/dbraw/zinc/16/17/06/526161706.db2.gz HIQITUOWNOWXFV-VIFPVBQESA-N 0 0 272.264 2.936 10 30 CFEERN Cc1ccc(C(=O)NCc2ccccc2C#CCCO)s1 ZINC000049589251 526186932 /nfs/dbraw/zinc/18/69/32/526186932.db2.gz BXGGLEUXJOJCQB-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN Cc1nn(Cc2cc(C#CCO)cs2)c(C)c1Cl ZINC000050587896 526287455 /nfs/dbraw/zinc/28/74/55/526287455.db2.gz KGLWBHHBYINUFB-UHFFFAOYSA-N 0 0 280.780 2.607 10 30 CFEERN N#C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000057576127 526500403 /nfs/dbraw/zinc/50/04/03/526500403.db2.gz RYFIHWSPVVPTKS-NSHDSACASA-N 0 0 279.137 2.577 10 30 CFEERN N#Cc1c(Cl)cccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000052908951 526519205 /nfs/dbraw/zinc/51/92/05/526519205.db2.gz ZEAZQJHBLRXHIY-KBPBESRZSA-N 0 0 262.740 2.969 10 30 CFEERN N#Cc1cc(N)cnc1N[C@@H]1CCc2ccccc2C1 ZINC000051630905 526565135 /nfs/dbraw/zinc/56/51/35/526565135.db2.gz UGSNPYSQMMWVBY-OAHLLOKOSA-N 0 0 264.332 2.505 10 30 CFEERN N#Cc1ccc(NC(=O)c2cc3c(s2)CCC3)nc1 ZINC000051953097 526657816 /nfs/dbraw/zinc/65/78/16/526657816.db2.gz KENGIGMLPDTNLB-UHFFFAOYSA-N 0 0 269.329 2.756 10 30 CFEERN C#CCC(C)(C)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000185625089 526662810 /nfs/dbraw/zinc/66/28/10/526662810.db2.gz VWIDMUCIEJOMQA-UHFFFAOYSA-N 0 0 287.407 2.659 10 30 CFEERN N#Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000230997216 526694390 /nfs/dbraw/zinc/69/43/90/526694390.db2.gz ZPXPDMJHUJAMJP-UHFFFAOYSA-N 0 0 253.183 2.713 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000185465973 526707441 /nfs/dbraw/zinc/70/74/41/526707441.db2.gz NVQIJMZHSHSXPG-GXTWGEPZSA-N 0 0 291.395 2.761 10 30 CFEERN N#Cc1cccc(Cn2c(N)cc3ccccc3c2=O)c1 ZINC000051667976 526713623 /nfs/dbraw/zinc/71/36/23/526713623.db2.gz OUIAFYBLTQFXMF-UHFFFAOYSA-N 0 0 275.311 2.504 10 30 CFEERN N#Cc1ccccc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518090 526743915 /nfs/dbraw/zinc/74/39/15/526743915.db2.gz IHZIHXBWEZNCPC-UHFFFAOYSA-N 0 0 266.091 2.794 10 30 CFEERN N#Cc1cnc2c(Cl)ccc(Br)c2c1NN ZINC000061692563 526776271 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UECSWHPRNHNDKO-LBPRGKRZSA-N 0 0 264.321 2.833 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)C#Cc2ccc3c(c2)OCO3)o1 ZINC000136102158 646740008 /nfs/dbraw/zinc/74/00/08/646740008.db2.gz IADCIAAEKMLUER-GFCCVEGCSA-N 0 0 297.310 2.546 10 30 CFEERN N#Cc1ccccc1/C=C\C(=O)N1CCCO[C@@H]2CCC[C@H]21 ZINC000886034110 646832546 /nfs/dbraw/zinc/83/25/46/646832546.db2.gz PGYIFTUNHJCKJL-CZDHMLMNSA-N 0 0 296.370 2.741 10 30 CFEERN N#Cc1ccccc1OS(=O)(=O)/C=C/c1ccccc1 ZINC000016093718 651238964 /nfs/dbraw/zinc/23/89/64/651238964.db2.gz NUGXFXYDELGRNA-ZHACJKMWSA-N 0 0 285.324 2.938 10 30 CFEERN CC(C)c1nc([C@H]2CCCN2Cc2ccc(C#N)o2)no1 ZINC000127798593 187333552 /nfs/dbraw/zinc/33/35/52/187333552.db2.gz YHXGTWSFZQZCOM-CYBMUJFWSA-N 0 0 286.335 2.995 10 30 CFEERN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000329877940 529464896 /nfs/dbraw/zinc/46/48/96/529464896.db2.gz JZCAXXXFRRSWSL-IHRRRGAJSA-N 0 0 296.411 2.549 10 30 CFEERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000126051281 187213487 /nfs/dbraw/zinc/21/34/87/187213487.db2.gz DFPYXVQVXOLKDA-WFASDCNBSA-N 0 0 295.390 2.898 10 30 CFEERN N#Cc1cnc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000151055624 136393626 /nfs/dbraw/zinc/39/36/26/136393626.db2.gz KUKTUSYDFHZPSC-IUODEOHRSA-N 0 0 291.782 2.738 10 30 CFEERN C[C@@]1(c2ccc(Br)cc2F)O[C@H]1C#N ZINC000307073530 539476667 /nfs/dbraw/zinc/47/66/67/539476667.db2.gz ABSLXOHIULFZHP-UWVGGRQHSA-N 0 0 256.074 2.726 10 30 CFEERN C[C@@]1(c2ccc(F)cc2Br)O[C@H]1C#N ZINC000307317762 539477080 /nfs/dbraw/zinc/47/70/80/539477080.db2.gz PEBNRFNLAKPPQF-UWVGGRQHSA-N 0 0 256.074 2.726 10 30 CFEERN Cc1c(O)cccc1NC(=O)c1ccc(C#N)cc1 ZINC000085203106 178971048 /nfs/dbraw/zinc/97/10/48/178971048.db2.gz VOCYRZHYWXYWIB-UHFFFAOYSA-N 0 0 252.273 2.825 10 30 CFEERN N#C[C@H](OS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000002043109 346207060 /nfs/dbraw/zinc/20/70/60/346207060.db2.gz YKDVEHLIKZSIDU-AWEZNQCLSA-N 0 0 273.313 2.657 10 30 CFEERN CC(N=NC(=S)N1CCC(C)CC1)c1ccccn1 ZINC000027308689 346268662 /nfs/dbraw/zinc/26/86/62/346268662.db2.gz NRVIJBMOQSORAQ-FOWTUZBSSA-N 0 0 276.409 2.823 10 30 CFEERN O=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000034563344 346318323 /nfs/dbraw/zinc/31/83/23/346318323.db2.gz FJYVNSRSFQGPBI-MRXNPFEDSA-N 0 0 267.328 2.617 10 30 CFEERN CN(C)c1ccc(C#C[C@@H](O)C#Cc2ccccc2)cc1 ZINC000039044636 346340602 /nfs/dbraw/zinc/34/06/02/346340602.db2.gz FNGZGJBKYSNWRO-IBGZPJMESA-N 0 0 275.351 2.517 10 30 CFEERN N#C[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829770 346577229 /nfs/dbraw/zinc/57/72/29/346577229.db2.gz VNVVUXXRBHZRGK-GXTWGEPZSA-N 0 0 259.309 2.767 10 30 CFEERN C=C(COC1CCN(C(C)=O)CC1)c1ccccc1 ZINC000059793765 346658039 /nfs/dbraw/zinc/65/80/39/346658039.db2.gz QMUDXAGHRLVDOH-UHFFFAOYSA-N 0 0 259.349 2.727 10 30 CFEERN N#Cc1cc(-n2ccnc2)nc2ccc(Cl)cc12 ZINC000092583357 347632998 /nfs/dbraw/zinc/63/29/98/347632998.db2.gz VCRQQFWQARMUNJ-UHFFFAOYSA-N 0 0 254.680 2.946 10 30 CFEERN N#Cc1c(Cl)nsc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000092666149 347639063 /nfs/dbraw/zinc/63/90/63/347639063.db2.gz YEOVKYWIGAUQQB-UWVGGRQHSA-N 0 0 283.784 2.816 10 30 CFEERN CCc1nn(C)cc1CNc1snc(Cl)c1C#N ZINC000092959188 347655019 /nfs/dbraw/zinc/65/50/19/347655019.db2.gz YJKOGGNTEPHFIO-UHFFFAOYSA-N 0 0 281.772 2.576 10 30 CFEERN Cn1c(/C=N/N)ccc1-c1ccc(Br)cc1 ZINC000257173205 282554829 /nfs/dbraw/zinc/55/48/29/282554829.db2.gz GOOPROAESRJDOP-OVCLIPMQSA-N 0 0 278.153 2.747 10 30 CFEERN CO[C@@H](c1ccc(CO)cc1)c1cccc(C#N)c1 ZINC000113924488 347769475 /nfs/dbraw/zinc/76/94/75/347769475.db2.gz TWCUNVOLBQPWLT-INIZCTEOSA-N 0 0 253.301 2.786 10 30 CFEERN CC(C)(C)OC(=O)N1CCC(CC(=O)CC#N)CC1 ZINC000114150277 347770784 /nfs/dbraw/zinc/77/07/84/347770784.db2.gz VUEYTTJBBJRYNN-UHFFFAOYSA-N 0 0 266.341 2.506 10 30 CFEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)c(Br)c1 ZINC000129819062 347865198 /nfs/dbraw/zinc/86/51/98/347865198.db2.gz AIGKIWZKIIFSPV-KWQFWETISA-N 0 0 254.127 2.951 10 30 CFEERN N#CN=C(Nc1ccc(C#N)cc1)Oc1ccccc1 ZINC000144360253 347940805 /nfs/dbraw/zinc/94/08/05/347940805.db2.gz MRWQSFZJCGBZIE-UHFFFAOYSA-N 0 0 262.272 2.886 10 30 CFEERN C=CCOc1ccnc2cc(Br)cnc21 ZINC000135557342 347907262 /nfs/dbraw/zinc/90/72/62/347907262.db2.gz NYZYQFIRTKQCJQ-UHFFFAOYSA-N 0 0 265.110 2.957 10 30 CFEERN CC#CCOc1ccc(SCC(=O)OCC)cc1 ZINC000135826078 347908231 /nfs/dbraw/zinc/90/82/31/347908231.db2.gz VZGMAJYXMRVMNO-UHFFFAOYSA-N 0 0 264.346 2.744 10 30 CFEERN C=CC(=O)c1ccc(I)cc1 ZINC000138916629 347918190 /nfs/dbraw/zinc/91/81/90/347918190.db2.gz SKZMKEPQPAURAH-UHFFFAOYSA-N 0 0 258.058 2.660 10 30 CFEERN CC(C)(C)OC(=O)/N=C/c1cccc([N+](=O)[O-])c1 ZINC000139407687 347919982 /nfs/dbraw/zinc/91/99/82/347919982.db2.gz UKBDVENCTSEOOE-MDWZMJQESA-N 0 0 250.254 2.949 10 30 CFEERN C=CCN(CC(=O)c1ccncc1)C(=O)OC(C)(C)C ZINC000146089338 347944501 /nfs/dbraw/zinc/94/45/01/347944501.db2.gz VQRHTPNTBGLENQ-UHFFFAOYSA-N 0 0 276.336 2.687 10 30 CFEERN O/N=C(\Cl)c1cc(C2OCCO2)c(F)c(F)c1F ZINC000145850435 347944593 /nfs/dbraw/zinc/94/45/93/347944593.db2.gz LMLRGLXMWHQUFJ-DHDCSXOGSA-N 0 0 281.617 2.524 10 30 CFEERN CC#CCC[C@@H](O)c1cncc(Br)c1 ZINC000161027894 348023104 /nfs/dbraw/zinc/02/31/04/348023104.db2.gz QPHHDJARWNPZBD-LLVKDONJSA-N 0 0 254.127 2.681 10 30 CFEERN CN(c1ccc(Br)cc1C#N)C1CC1 ZINC000165240752 348038609 /nfs/dbraw/zinc/03/86/09/348038609.db2.gz JNFNHJMCLJSPOZ-UHFFFAOYSA-N 0 0 251.127 2.919 10 30 CFEERN C=C(C)CNc1ccc(N)cc1I ZINC000167423933 348045258 /nfs/dbraw/zinc/04/52/58/348045258.db2.gz YODGKKPHWHMHQT-UHFFFAOYSA-N 0 0 288.132 2.861 10 30 CFEERN CC(C)(C)OC(=O)NCC#C[C@@H]1CCc2ccc(N)cc21 ZINC000167997959 348047240 /nfs/dbraw/zinc/04/72/40/348047240.db2.gz PPADGSTUJNBNPP-GFCCVEGCSA-N 0 0 286.375 2.827 10 30 CFEERN N#Cc1cnc2ccc(N)cc2c1Nc1cccnc1 ZINC000217979154 348165828 /nfs/dbraw/zinc/16/58/28/348165828.db2.gz NWRVDARSZWODJY-UHFFFAOYSA-N 0 0 261.288 2.827 10 30 CFEERN COC(=O)c1cc(C#Cc2ccc(C)cc2)ccn1 ZINC000218790294 348167425 /nfs/dbraw/zinc/16/74/25/348167425.db2.gz NEIGYECEAXIQQU-UHFFFAOYSA-N 0 0 251.285 2.576 10 30 CFEERN CCN(Cc1ccccc1)c1ccc(N)c(C#N)n1 ZINC000233466803 348217219 /nfs/dbraw/zinc/21/72/19/348217219.db2.gz CBQSALQKRRIFGF-UHFFFAOYSA-N 0 0 252.321 2.562 10 30 CFEERN CC#CCC(=O)c1cc(N)cc(Br)c1 ZINC000226771159 348184355 /nfs/dbraw/zinc/18/43/55/348184355.db2.gz FGLNWFHNUAZQOV-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN CC#CCCNc1cc(Br)nc(CC)n1 ZINC000229331018 348201174 /nfs/dbraw/zinc/20/11/74/348201174.db2.gz IBXGZYJQCWLXQX-UHFFFAOYSA-N 0 0 268.158 2.627 10 30 CFEERN COc1cc(C#N)ccc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000231753309 348208680 /nfs/dbraw/zinc/20/86/80/348208680.db2.gz HVZGQTUZNSNIQV-JQWIXIFHSA-N 0 0 258.321 2.942 10 30 CFEERN COc1cc(C#N)ccc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000231753305 348209026 /nfs/dbraw/zinc/20/90/26/348209026.db2.gz HVZGQTUZNSNIQV-CMPLNLGQSA-N 0 0 258.321 2.942 10 30 CFEERN N#CCNc1ccc(I)cc1Cl ZINC000232149624 348210697 /nfs/dbraw/zinc/21/06/97/348210697.db2.gz GXXADAROCNOKHS-UHFFFAOYSA-N 0 0 292.507 2.880 10 30 CFEERN Cc1ccc(I)cc1CC#N ZINC000238502564 348246408 /nfs/dbraw/zinc/24/64/08/348246408.db2.gz PHUMIJGXCNBRDK-UHFFFAOYSA-N 0 0 257.074 2.666 10 30 CFEERN N#CC1([C@H](O)c2occc2Br)CCC1 ZINC000236550413 348234427 /nfs/dbraw/zinc/23/44/27/348234427.db2.gz ZCOYONPSPPWVSQ-SECBINFHSA-N 0 0 256.099 2.769 10 30 CFEERN C#C[C@@H](O)c1ccc(Br)c(Br)c1 ZINC000236550731 348234763 /nfs/dbraw/zinc/23/47/63/348234763.db2.gz UBUXRPANNCOXHK-SECBINFHSA-N 0 0 289.954 2.878 10 30 CFEERN Cc1ccc(NCC#N)cc1I ZINC000300960456 348370943 /nfs/dbraw/zinc/37/09/43/348370943.db2.gz NMKCUHCETCSDKT-UHFFFAOYSA-N 0 0 272.089 2.535 10 30 CFEERN O=C[C@]1(Cc2ccc(Br)cn2)CCCS1 ZINC000306331066 348386493 /nfs/dbraw/zinc/38/64/93/348386493.db2.gz BYNVIMUUZZRJOJ-LLVKDONJSA-N 0 0 286.194 2.851 10 30 CFEERN C#CC[C@H](C)Nc1ncccc1I ZINC000306542049 348388784 /nfs/dbraw/zinc/38/87/84/348388784.db2.gz QITLYCWOJYGLPL-QMMMGPOBSA-N 0 0 286.116 2.510 10 30 CFEERN C[C@H](C#N)[C@@H](O)c1cccc(F)c1Br ZINC000306554787 348389443 /nfs/dbraw/zinc/38/94/43/348389443.db2.gz LOTXQKFSYQJFCZ-LHLIQPBNSA-N 0 0 258.090 2.781 10 30 CFEERN COC(=O)c1cc(C#N)c(Cl)cc1Br ZINC000306825205 348393060 /nfs/dbraw/zinc/39/30/60/348393060.db2.gz WEHYHXCRXITSIW-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN Cc1nc(C)c(C(=O)NC[C@@H]2CCn3ccnc3C2)s1 ZINC000328638823 348441754 /nfs/dbraw/zinc/44/17/54/348441754.db2.gz WNPCHWVMIQLNPD-LLVKDONJSA-N 0 0 290.392 2.524 10 30 CFEERN N#CCc1cc(Br)c(OC(F)(F)F)cc1N ZINC000396037539 348552477 /nfs/dbraw/zinc/55/24/77/348552477.db2.gz FJNPFNHZTWCIJT-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN CN(C)C=Nc1nc(C(Cl)(Cl)Cl)ns1 ZINC000394369697 348548720 /nfs/dbraw/zinc/54/87/20/348548720.db2.gz WFJHGUGVUSLMIQ-UHFFFAOYSA-N 0 0 273.576 2.586 10 30 CFEERN N#Cc1cc(Br)cc(OC(F)(F)F)c1N ZINC000396039037 348552440 /nfs/dbraw/zinc/55/24/40/348552440.db2.gz ILEZJKATDKPHTC-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN N#Cc1cc(Br)cnc1N1CCC2(CC2)C1 ZINC000400412616 348573394 /nfs/dbraw/zinc/57/33/94/348573394.db2.gz UYKALLMVUJRMCS-UHFFFAOYSA-N 0 0 278.153 2.706 10 30 CFEERN CN(C)c1cc(/C=C/c2cccc(C#N)c2)ncn1 ZINC000584598730 348684840 /nfs/dbraw/zinc/68/48/40/348684840.db2.gz GFEPMTORZAYPRL-VOTSOKGWSA-N 0 0 250.305 2.585 10 30 CFEERN CC[C@H]1CO[C@H](c2cc(F)c(C#N)c(F)c2)OC1 ZINC000584599677 348684915 /nfs/dbraw/zinc/68/49/15/348684915.db2.gz NRMJGVJTJVCXFE-XCSCGOTBSA-N 0 0 253.248 2.908 10 30 CFEERN CC[C@H](COc1cccc(Cl)c1)N=C(C)NC#N ZINC000584601592 348685558 /nfs/dbraw/zinc/68/55/58/348685558.db2.gz BMXYPGZZSLAQIQ-GFCCVEGCSA-N 0 0 265.744 2.986 10 30 CFEERN C#C[C@@](OC(C)=O)(c1ccc(C)cc1)C1(C#N)CC1 ZINC000584602891 348686321 /nfs/dbraw/zinc/68/63/21/348686321.db2.gz GYRBNOFJYGOWQF-MRXNPFEDSA-N 0 0 253.301 2.690 10 30 CFEERN C[C@@H](C#N)N(C)C(=O)N(C)c1cccc(Cl)c1 ZINC000584613528 348690027 /nfs/dbraw/zinc/69/00/27/348690027.db2.gz PAPAMPUBUCHAAW-VIFPVBQESA-N 0 0 251.717 2.740 10 30 CFEERN C#C[C@@H](CO)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000584614937 348690890 /nfs/dbraw/zinc/69/08/90/348690890.db2.gz UEWJECZSDIOHBX-WMLDXEAASA-N 0 0 258.361 2.696 10 30 CFEERN Cn1c(C(N)=O)cc2cc(C#N)cc(-c3ccc(F)cc3)c21 ZINC000584618855 348691532 /nfs/dbraw/zinc/69/15/32/348691532.db2.gz UKUHGXRTNYVHQS-UHFFFAOYSA-N 0 0 293.301 2.955 10 30 CFEERN Brc1ccccc1C#C[C@@H]1CCCO1 ZINC000584624208 348693576 /nfs/dbraw/zinc/69/35/76/348693576.db2.gz HRCNNAVZROKDKV-NSHDSACASA-N 0 0 251.123 2.980 10 30 CFEERN CCCCC[C@@H](C#CC(OCC)OCC)OC(C)=O ZINC000584626958 348694353 /nfs/dbraw/zinc/69/43/53/348694353.db2.gz UYXOXHVZUATWRO-AWEZNQCLSA-N 0 0 270.369 2.901 10 30 CFEERN N#C[C@@H](c1ncco1)[C@@H](CCO)c1c(F)cccc1F ZINC000584627409 348694655 /nfs/dbraw/zinc/69/46/55/348694655.db2.gz YHIANYOJRZTWBZ-NXEZZACHSA-N 0 0 278.258 2.726 10 30 CFEERN COc1cccc(C2=CC[C@@H](OS(C)(=O)=O)CC2)c1 ZINC000584631459 348696082 /nfs/dbraw/zinc/69/60/82/348696082.db2.gz RDURFTOSCNSLHP-CYBMUJFWSA-N 0 0 282.361 2.607 10 30 CFEERN COc1cc(C)nc(OCc2ccccc2)c1C#N ZINC000584633326 348696399 /nfs/dbraw/zinc/69/63/99/348696399.db2.gz CCETVJICMIGYBF-UHFFFAOYSA-N 0 0 254.289 2.849 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1ccnc(F)c1 ZINC000584636743 348698194 /nfs/dbraw/zinc/69/81/94/348698194.db2.gz AYSMZQPSPXSCNJ-LSDHHAIUSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1cnco1)[C@H](CCO)c1cc(F)ccc1F ZINC000584638570 348699472 /nfs/dbraw/zinc/69/94/72/348699472.db2.gz MERPHDSKEZAKEX-ZYHUDNBSSA-N 0 0 278.258 2.726 10 30 CFEERN C=CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000584644878 348700848 /nfs/dbraw/zinc/70/08/48/348700848.db2.gz LCXSNKXFPJJXAM-NSHDSACASA-N 0 0 289.253 2.829 10 30 CFEERN C=CC[C@H]1Cc2c(cccc2OC)CC12OCCO2 ZINC000584660400 348702889 /nfs/dbraw/zinc/70/28/89/348702889.db2.gz ZZHFKXNBSJVEFR-ZDUSSCGKSA-N 0 0 260.333 2.729 10 30 CFEERN CCn1nc(CC2(C#N)CCOCC2)c2ccccc21 ZINC000089180431 179744563 /nfs/dbraw/zinc/74/45/63/179744563.db2.gz ODFDCHGGCAXASN-UHFFFAOYSA-N 0 0 269.348 2.919 10 30 CFEERN CCCN[C@@](C)(C#N)CCCSCCCOC ZINC000104441819 186003347 /nfs/dbraw/zinc/00/33/47/186003347.db2.gz GMJYUUHUIABLHX-CYBMUJFWSA-N 0 0 258.431 2.818 10 30 CFEERN N#Cc1cnc(-c2ccccc2)nc1N1CCCC1 ZINC000090568230 180007998 /nfs/dbraw/zinc/00/79/98/180007998.db2.gz URYWUBWNGLSRAY-UHFFFAOYSA-N 0 0 250.305 2.615 10 30 CFEERN CCOC(=O)C(Cl)=NNc1ccc(CC)cc1 ZINC000606206188 351259897 /nfs/dbraw/zinc/25/98/97/351259897.db2.gz AGWZLPLBUZNFPE-UHFFFAOYSA-N 0 0 254.717 2.776 10 30 CFEERN N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H](O)C1 ZINC000609891453 351525995 /nfs/dbraw/zinc/52/59/95/351525995.db2.gz NWRLVUILQKVZIZ-NEPJUHHUSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1ccc(NCc2ccnc(O[C@H]3CCOC3)c2)cc1 ZINC000124093510 187122103 /nfs/dbraw/zinc/12/21/03/187122103.db2.gz PJHPWWNLRSDUJT-INIZCTEOSA-N 0 0 295.342 2.733 10 30 CFEERN CCOC(=O)N1CCC(c2ccccc2C#N)CC1 ZINC000616618963 352386308 /nfs/dbraw/zinc/38/63/08/352386308.db2.gz ASHZRGCAWFPHIA-UHFFFAOYSA-N 0 0 258.321 2.894 10 30 CFEERN N#Cc1cccc([C@@H]2CCN(C(N)=O)c3ccccc32)c1 ZINC000616674955 352408607 /nfs/dbraw/zinc/40/86/07/352408607.db2.gz LZBVWRWWOASXDS-AWEZNQCLSA-N 0 0 277.327 2.979 10 30 CFEERN N#Cc1ccccc1[C@@H]1CN(CCO)c2ccccc2N1 ZINC000616681844 352410885 /nfs/dbraw/zinc/41/08/85/352410885.db2.gz XDJBIPZNSPCCEZ-INIZCTEOSA-N 0 0 279.343 2.524 10 30 CFEERN N#Cc1cc(NCC(F)(F)CN)ccc1C(F)(F)F ZINC000162666107 188583525 /nfs/dbraw/zinc/58/35/25/188583525.db2.gz DZWIWXYNCTVOLU-UHFFFAOYSA-N 0 0 279.212 2.583 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000246010699 540045303 /nfs/dbraw/zinc/04/53/03/540045303.db2.gz YFYWBEPKLFDTNG-RWMBFGLXSA-N 0 0 254.374 2.598 10 30 CFEERN N#Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000166885158 283109370 /nfs/dbraw/zinc/10/93/70/283109370.db2.gz DMCJQDPLOQTQKA-VXGBXAGGSA-N 0 0 269.304 2.869 10 30 CFEERN N#Cc1ccc(C(F)(F)F)n2c(Br)cnc12 ZINC000675050883 540630123 /nfs/dbraw/zinc/63/01/23/540630123.db2.gz XMODVQFTPGJASV-UHFFFAOYSA-N 0 0 290.042 2.987 10 30 CFEERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ncc(C#N)cc1Cl ZINC000176822754 189010549 /nfs/dbraw/zinc/01/05/49/189010549.db2.gz IXBJZSPUHSDSLT-SECBINFHSA-N 0 0 295.770 2.773 10 30 CFEERN 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CCc1ccc(C(=O)OC)c(C#N)c1OC(F)F ZINC000575385537 382764101 /nfs/dbraw/zinc/76/41/01/382764101.db2.gz YOWLZYNJIFSKEO-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCc1cc(C#N)cc(OC(F)F)c1C(=O)OC ZINC000575385473 382764341 /nfs/dbraw/zinc/76/43/41/382764341.db2.gz TXXVDMWJTSGPCT-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(C)cc1C#N ZINC000575388634 382764827 /nfs/dbraw/zinc/76/48/27/382764827.db2.gz OUWARCRKXWEJIT-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1cc(CC(=O)OC)c(C#N)cc1OC(F)(F)F ZINC000575388973 382765300 /nfs/dbraw/zinc/76/53/00/382765300.db2.gz NXVNFFARHQTMHC-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1ccc(C(=O)OC)c(C(F)(F)F)c1C#N ZINC000575389258 382765396 /nfs/dbraw/zinc/76/53/96/382765396.db2.gz DFJFKSNNJMNDAL-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1c(C(F)F)ccc(C#N)c1CC(=O)OC ZINC000575389341 382765521 /nfs/dbraw/zinc/76/55/21/382765521.db2.gz AIPKXXPTUNAYDK-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCc1c(C(=O)OC)cc(C#N)cc1C(F)(F)F ZINC000575389136 382765541 /nfs/dbraw/zinc/76/55/41/382765541.db2.gz ACFFWWJBPJQEBT-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575389647 382765775 /nfs/dbraw/zinc/76/57/75/382765775.db2.gz WAELUUXZYFWUIW-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(F)cc1C#N ZINC000575389867 382766024 /nfs/dbraw/zinc/76/60/24/382766024.db2.gz SDYBMGOZCUTUAW-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1ccc(C(F)(F)F)c(C#N)c1CC(=O)OC ZINC000575389879 382766050 /nfs/dbraw/zinc/76/60/50/382766050.db2.gz UANHIHDOEWQKBF-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)Cc1cc(F)c(OC(F)(F)F)cc1C#N ZINC000575390433 382766489 /nfs/dbraw/zinc/76/64/89/382766489.db2.gz LNUQQKODYUPNLO-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1ccc(F)c(OC(F)(F)F)c1C#N ZINC000575390474 382766541 /nfs/dbraw/zinc/76/65/41/382766541.db2.gz OSZLYTYMOZYHNJ-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1c(O)c(C#N)ccc1SC(F)(F)F ZINC000575391706 382766708 /nfs/dbraw/zinc/76/67/08/382766708.db2.gz GWCCSZYUOQEXNC-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)Cc1c(O)ccc(SC(F)(F)F)c1C#N ZINC000575392209 382767089 /nfs/dbraw/zinc/76/70/89/382767089.db2.gz ONANOFLHICAFQX-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1ccc(OC)c(C#N)c1SC(F)(F)F ZINC000575394136 382767804 /nfs/dbraw/zinc/76/78/04/382767804.db2.gz FFTAOOZTEMZBLY-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1c(OC(F)(F)F)ccc(C#N)c1OC ZINC000575393957 382767900 /nfs/dbraw/zinc/76/79/00/382767900.db2.gz APBYCLXNZANYAR-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)(F)F)c1OC ZINC000575394056 382767915 /nfs/dbraw/zinc/76/79/15/382767915.db2.gz HNUFQCXMHBFISA-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1c(C)cc(C#N)cc1OC(F)(F)F ZINC000575394675 382768197 /nfs/dbraw/zinc/76/81/97/382768197.db2.gz JXNRXLPFJVCXFT-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)c(C#N)cc1C ZINC000575394578 382768274 /nfs/dbraw/zinc/76/82/74/382768274.db2.gz KOSBPLZGUVHFGN-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN COC(=O)Cc1ccc(C)c(C(F)(F)F)c1C#N ZINC000575394761 382768482 /nfs/dbraw/zinc/76/84/82/382768482.db2.gz NOLXHJDQACZIJQ-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1cc(OC)cc(C(F)(F)F)c1C#N ZINC000575394832 382768490 /nfs/dbraw/zinc/76/84/90/382768490.db2.gz PJHDODGUULZIJH-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(C)c1C(F)(F)F ZINC000575395147 382768504 /nfs/dbraw/zinc/76/85/04/382768504.db2.gz OYVNNLQNGUXRNR-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC(F)(F)F)c1OC ZINC000575394895 382768528 /nfs/dbraw/zinc/76/85/28/382768528.db2.gz RQFMEDOAURIDNX-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)c1ccc(OC(F)(F)F)c(C)c1C#N ZINC000575395043 382768535 /nfs/dbraw/zinc/76/85/35/382768535.db2.gz WBJMQFKEZIVBBJ-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1OC ZINC000575395134 382768536 /nfs/dbraw/zinc/76/85/36/382768536.db2.gz XSPWOKAXVHNPRW-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN C=C(C)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195513620 382768666 /nfs/dbraw/zinc/76/86/66/382768666.db2.gz FTAQXRPFWVGQCD-ZDUSSCGKSA-N 0 0 260.385 2.718 10 30 CFEERN C=C(Br)CN1CCC(c2cnn(CC)c2)CC1 ZINC000195513019 382768725 /nfs/dbraw/zinc/76/87/25/382768725.db2.gz AQXUDFLRCNPRAI-UHFFFAOYSA-N 0 0 298.228 2.991 10 30 CFEERN COC(=O)c1cc(C)c(C#N)cc1OC(F)(F)F ZINC000575395256 382768779 /nfs/dbraw/zinc/76/87/79/382768779.db2.gz UVFISFYNFSTDOD-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1C(F)(F)F ZINC000575395898 382768824 /nfs/dbraw/zinc/76/88/24/382768824.db2.gz VHQQUVNJKQONBD-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)c1c(C#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575395909 382768893 /nfs/dbraw/zinc/76/88/93/382768893.db2.gz VURQTYLXMCESQP-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN N#CCc1cc(C(F)(F)F)c(OC(F)F)cn1 ZINC000575396911 382769318 /nfs/dbraw/zinc/76/93/18/382769318.db2.gz JKYOCJLDGCITKQ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1c(N)ccc(OC(F)F)c1Br ZINC000575713996 382794519 /nfs/dbraw/zinc/79/45/19/382794519.db2.gz IMBWUFUENRUUFE-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1cc(CC#N)c(OC(F)F)cc1C#N ZINC000575639077 382776563 /nfs/dbraw/zinc/77/65/63/382776563.db2.gz NGCXUSYWJNESFW-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1cc(OC(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575658973 382780537 /nfs/dbraw/zinc/78/05/37/382780537.db2.gz UHZIJMNQNUSZMT-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN N#CCc1cc(I)cc(N)c1Cl ZINC000575715434 382794922 /nfs/dbraw/zinc/79/49/22/382794922.db2.gz DEVLLAJJJMXSLP-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc(OC(F)F)c(OC(F)(F)F)cc1O ZINC000575662401 382781963 /nfs/dbraw/zinc/78/19/63/382781963.db2.gz ZFHXFDYHIDSANV-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1cc(OC(F)F)c(C(F)(F)F)cc1O ZINC000575662356 382782048 /nfs/dbraw/zinc/78/20/48/382782048.db2.gz XNGXPKIVTOQCJG-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN CCOc1cc(OC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575670021 382783567 /nfs/dbraw/zinc/78/35/67/382783567.db2.gz BDPOFANWLYXAIN-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1c(C)c(C#N)ccc1I ZINC000575671035 382783914 /nfs/dbraw/zinc/78/39/14/382783914.db2.gz PFMBNNKKUPSPRJ-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)c1c(OCC)cc(C#N)cc1OC(F)F ZINC000575671506 382784019 /nfs/dbraw/zinc/78/40/19/382784019.db2.gz SMXFTZSZTKRBSP-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(C)c(I)c(C#N)c1 ZINC000575671810 382784032 /nfs/dbraw/zinc/78/40/32/382784032.db2.gz XOHNCIWZNSRGQS-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN Cc1cc(C)c(I)c(C#N)c1 ZINC000575671034 382784061 /nfs/dbraw/zinc/78/40/61/382784061.db2.gz GARDAJAWCSAZDD-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN COc1cc([N+](=O)[O-])c(CC#N)c(C(F)(F)F)c1 ZINC000575679528 382785651 /nfs/dbraw/zinc/78/56/51/382785651.db2.gz WBNDTQXQMPFMDP-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#Cc1cc(OC(F)F)c(O)cc1Br ZINC000575682154 382786434 /nfs/dbraw/zinc/78/64/34/382786434.db2.gz MJZVIIVGXQXROO-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#Cc1cc(Br)c(OC(F)F)cc1O ZINC000575682632 382786667 /nfs/dbraw/zinc/78/66/67/382786667.db2.gz ZFSSKTMATRLPHT-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#Cc1c(Br)ccc(O)c1OC(F)F ZINC000575682618 382786713 /nfs/dbraw/zinc/78/67/13/382786713.db2.gz ZAWAHLSUZBMQHG-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#CCc1cc(N)c(Br)cc1Br ZINC000575716936 382795278 /nfs/dbraw/zinc/79/52/78/382795278.db2.gz YOHBIFSHDIVBCT-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#Cc1cc(O)c(OC(F)(F)F)cc1Br ZINC000575692492 382789503 /nfs/dbraw/zinc/78/95/03/382789503.db2.gz XOIWJJITMMCWGH-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#CCc1c(O)ccc(Br)c1Br ZINC000575695563 382789902 /nfs/dbraw/zinc/78/99/02/382789902.db2.gz SSQMQMKBNYISSQ-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN N#CCc1ccc(N)c(OC(F)F)c1OC(F)(F)F ZINC000575718189 382795530 /nfs/dbraw/zinc/79/55/30/382795530.db2.gz ZTCABRCDRDNNBA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN COc1c(I)ccc(CC#N)c1F ZINC000575706085 382792222 /nfs/dbraw/zinc/79/22/22/382792222.db2.gz ULWKOPYWTCDKBD-UHFFFAOYSA-N 0 0 291.063 2.505 10 30 CFEERN Cc1c(F)cc(I)cc1CC#N ZINC000575706350 382792538 /nfs/dbraw/zinc/79/25/38/382792538.db2.gz YSVXBJCRBYRDIH-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN N#CCc1c([N+](=O)[O-])ccc(F)c1OC(F)(F)F ZINC000575709851 382792918 /nfs/dbraw/zinc/79/29/18/382792918.db2.gz BGBAIWVHLFQCSR-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN CCOC(=O)Cc1cc(Br)c(CC)cc1C#N ZINC000575341592 382759300 /nfs/dbraw/zinc/75/93/00/382759300.db2.gz CEJJQDOLMBDQCS-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1F ZINC000575339569 382759301 /nfs/dbraw/zinc/75/93/01/382759301.db2.gz DWGCDOLPLXIQSZ-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN COC(=O)Cc1cc(Cl)c(C#N)c(OC(F)F)c1 ZINC000575342985 382759333 /nfs/dbraw/zinc/75/93/33/382759333.db2.gz GVAMVFPQPKCFGE-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN N#CCc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1F ZINC000575711408 382793219 /nfs/dbraw/zinc/79/32/19/382793219.db2.gz SRBYUQQVHWWYRM-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1OC ZINC000575343589 382759665 /nfs/dbraw/zinc/75/96/65/382759665.db2.gz MHFYQXUWQSKPJZ-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1C(F)F ZINC000575343540 382759687 /nfs/dbraw/zinc/75/96/87/382759687.db2.gz GICGCJOFBLNQNC-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN COC(=O)Cc1cc(Cl)c(OC(F)F)cc1C#N ZINC000575343033 382759697 /nfs/dbraw/zinc/75/96/97/382759697.db2.gz UQJMGYZCULUDOZ-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)c1cc(OC)c(C#N)c(C(F)F)c1 ZINC000575343594 382759722 /nfs/dbraw/zinc/75/97/22/382759722.db2.gz NAMQCZAWGXULEQ-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(Cl)cc1C#N ZINC000575343049 382759769 /nfs/dbraw/zinc/75/97/69/382759769.db2.gz YJBFVNUMAKLMGY-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1OC ZINC000575343578 382759789 /nfs/dbraw/zinc/75/97/89/382759789.db2.gz LBNXWXLIJZYSNY-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)F)c(C)c1C#N ZINC000575343698 382760081 /nfs/dbraw/zinc/76/00/81/382760081.db2.gz BTLPDQCMWILUHF-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)cc1C(F)(F)F ZINC000575345179 382760250 /nfs/dbraw/zinc/76/02/50/382760250.db2.gz DCJSQRKQIZJPLG-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)Cc1cc(F)cc(C(F)(F)F)c1C#N ZINC000575344848 382760278 /nfs/dbraw/zinc/76/02/78/382760278.db2.gz BDINFDQKZWKRGK-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1cccc(C#N)c1OC(F)(F)F ZINC000575345149 382760308 /nfs/dbraw/zinc/76/03/08/382760308.db2.gz YLILVPWVMLKPBH-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)c1c(C#N)cc(F)cc1C(F)(F)F ZINC000575344993 382760316 /nfs/dbraw/zinc/76/03/16/382760316.db2.gz MTVSGGXPJQIZME-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)c1cc(F)cc(C#N)c1C(F)(F)F ZINC000575344875 382760348 /nfs/dbraw/zinc/76/03/48/382760348.db2.gz FGEZJUKTMQYVEV-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN C=CCOC(=O)c1ccc(OC)c(-n2cccc2)c1 ZINC000226244724 382825415 /nfs/dbraw/zinc/82/54/15/382825415.db2.gz JCPSRESJXOHTGJ-UHFFFAOYSA-N 0 0 257.289 2.829 10 30 CFEERN N#Cc1sc(N[C@@H]2CCCC[C@@H]2CO)nc1Cl ZINC000227832948 382841195 /nfs/dbraw/zinc/84/11/95/382841195.db2.gz YOYDUKVXIZTCTJ-HTQZYQBOSA-N 0 0 271.773 2.631 10 30 CFEERN CC1(C)CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232777396 382870094 /nfs/dbraw/zinc/87/00/94/382870094.db2.gz VTHOGJYRBMRUAE-LLVKDONJSA-N 0 0 260.297 2.852 10 30 CFEERN C#CCCC(=O)Nc1cc(C)c(Br)cn1 ZINC000235750500 382888073 /nfs/dbraw/zinc/88/80/73/382888073.db2.gz RLLKTRNFSWYNKF-UHFFFAOYSA-N 0 0 267.126 2.504 10 30 CFEERN Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000235888026 382889922 /nfs/dbraw/zinc/88/99/22/382889922.db2.gz GITNNNPRELLODA-UHFFFAOYSA-N 0 0 268.276 2.782 10 30 CFEERN N#Cc1nc(NCCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000236152903 382893009 /nfs/dbraw/zinc/89/30/09/382893009.db2.gz BPBKJMPQDFIOJV-UHFFFAOYSA-N 0 0 286.266 2.655 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000247448513 383173113 /nfs/dbraw/zinc/17/31/13/383173113.db2.gz JBZHBAGPMCYDQW-CVEARBPZSA-N 0 0 274.339 2.841 10 30 CFEERN CSc1nnc(C(F)F)n1N=Cc1cccc(F)c1 ZINC000254413918 383466690 /nfs/dbraw/zinc/46/66/90/383466690.db2.gz GMYVDINXTQLPRH-UHFFFAOYSA-N 0 0 286.282 2.959 10 30 CFEERN CSc1nnc(C(F)F)n1N=Cc1ccc(F)cc1 ZINC000254721561 383470311 /nfs/dbraw/zinc/47/03/11/383470311.db2.gz QFPGYQAVULQQKO-UHFFFAOYSA-N 0 0 286.282 2.959 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1OC ZINC000260201753 383505390 /nfs/dbraw/zinc/50/53/90/383505390.db2.gz QOLBUGJHNGCTEL-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN Cn1cc2c(n1)CCC[C@H]2Nc1ccc(C#N)cc1F ZINC000282359527 385292553 /nfs/dbraw/zinc/29/25/53/385292553.db2.gz XGVDWVPGFFDZQC-CYBMUJFWSA-N 0 0 270.311 2.920 10 30 CFEERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000191918960 130329292 /nfs/dbraw/zinc/32/92/92/130329292.db2.gz PLKYZKMWSKJTAK-GWCFXTLKSA-N 0 0 292.766 2.990 10 30 CFEERN CCc1csc([C@@H]2CCCN(c3nccnc3C#N)C2)n1 ZINC000263771797 131327625 /nfs/dbraw/zinc/32/76/25/131327625.db2.gz HHWREXSWVKOIHO-LLVKDONJSA-N 0 0 299.403 2.751 10 30 CFEERN Cn1cc([C@@H]2CCCN2c2ccc(F)cc2C#N)cn1 ZINC000266357168 131722701 /nfs/dbraw/zinc/72/27/01/131722701.db2.gz KDOIUVRUYPNONT-AWEZNQCLSA-N 0 0 270.311 2.772 10 30 CFEERN CC[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000181329500 393493539 /nfs/dbraw/zinc/49/35/39/393493539.db2.gz AJLQILBPDBVYAP-AWEZNQCLSA-N 0 0 298.302 2.676 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000182546003 393511231 /nfs/dbraw/zinc/51/12/31/393511231.db2.gz PUIRXFNAFNCZFT-SFYZADRCSA-N 0 0 271.773 2.921 10 30 CFEERN COC(=O)c1cc(Cl)cc(Br)c1C#N ZINC000307433240 393513584 /nfs/dbraw/zinc/51/35/84/393513584.db2.gz KCNGVVKAOFMIAG-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN CCCCCCOC(=O)N=C(N)c1ccc(N)cc1 ZINC000080018599 393723191 /nfs/dbraw/zinc/72/31/91/393723191.db2.gz QNEVYUOYQNDIEJ-UHFFFAOYSA-N 0 0 263.341 2.691 10 30 CFEERN CCc1ccc([C@@H](C)NC(=O)c2cc(C#N)cn2C)cc1 ZINC000080941955 393729195 /nfs/dbraw/zinc/72/91/95/393729195.db2.gz WJXRWAPSUOCZMG-GFCCVEGCSA-N 0 0 281.359 2.950 10 30 CFEERN N#Cc1cccnc1N[C@H]1CCN(c2ccccc2)C1 ZINC000264454332 393968434 /nfs/dbraw/zinc/96/84/34/393968434.db2.gz ZLDJOGKPWKYWJU-AWEZNQCLSA-N 0 0 264.332 2.644 10 30 CFEERN Fc1ccc(C#CCN2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000156208655 394330773 /nfs/dbraw/zinc/33/07/73/394330773.db2.gz ZGOPDSJEHWDRDJ-DLBZAZTESA-N 0 0 273.351 2.821 10 30 CFEERN C#CCCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000155018394 394307483 /nfs/dbraw/zinc/30/74/83/394307483.db2.gz QJEZJJRFIRVFLV-CYBMUJFWSA-N 0 0 260.337 2.930 10 30 CFEERN COC(=O)c1ccc(C#Cc2cc(F)ccc2N)cc1 ZINC000521402265 394381249 /nfs/dbraw/zinc/38/12/49/394381249.db2.gz ZJURONDVOMNEHC-UHFFFAOYSA-N 0 0 269.275 2.594 10 30 CFEERN CCCCCS(=O)(=O)c1ccccc1C(=O)CC#N ZINC000575601450 395091372 /nfs/dbraw/zinc/09/13/72/395091372.db2.gz AVJGASRJLONCPK-UHFFFAOYSA-N 0 0 279.361 2.747 10 30 CFEERN C=CC(=O)CN(C(=O)OC(C)(C)C)C1CCCC1 ZINC000405486467 543019104 /nfs/dbraw/zinc/01/91/04/543019104.db2.gz AUQOIGYXEQASLO-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405620397 543021281 /nfs/dbraw/zinc/02/12/81/543021281.db2.gz DSSGSGKOJDJFEU-CQSZACIVSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000405511573 543020325 /nfs/dbraw/zinc/02/03/25/543020325.db2.gz RMXYQXVEFZMXBI-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000406004281 543028658 /nfs/dbraw/zinc/02/86/58/543028658.db2.gz RHJFCQAWEUBCNG-GHMZBOCLSA-N 0 0 253.342 2.683 10 30 CFEERN C=CC(=O)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000406023821 543029086 /nfs/dbraw/zinc/02/90/86/543029086.db2.gz GLLQRRHQCUMHRN-UHFFFAOYSA-N 0 0 253.342 2.827 10 30 CFEERN C=CCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406039399 543029538 /nfs/dbraw/zinc/02/95/38/543029538.db2.gz BWBSWMLJYIVMMS-GFCCVEGCSA-N 0 0 261.321 2.837 10 30 CFEERN N#Cc1cc(C2(O)CCC2)ccc1Br ZINC000216016428 397619712 /nfs/dbraw/zinc/61/97/12/397619712.db2.gz PJLLCUNOQXUEDQ-UHFFFAOYSA-N 0 0 252.111 2.692 10 30 CFEERN CO[C@H]1C[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@H]1C2 ZINC000100401346 286102788 /nfs/dbraw/zinc/10/27/88/286102788.db2.gz YEYBRTMMOJKDHE-UQOMUDLDSA-N 0 0 296.388 2.514 10 30 CFEERN CC[C@@H](C#N)NCc1cc(Br)ccc1F ZINC000043540881 175063683 /nfs/dbraw/zinc/06/36/83/175063683.db2.gz FDCVJZPMOAIIPE-JTQLQIEISA-N 0 0 271.133 2.980 10 30 CFEERN N#Cc1cccc(N2CCC(c3nccs3)CC2)n1 ZINC000362776660 156083385 /nfs/dbraw/zinc/08/33/85/156083385.db2.gz WEPPBCRZCQUHTJ-UHFFFAOYSA-N 0 0 270.361 2.794 10 30 CFEERN C[C@@H](CC#N)N1CCN(c2ccccc2Cl)CC1 ZINC000048209015 286793572 /nfs/dbraw/zinc/79/35/72/286793572.db2.gz PMXKBMCPJYNYQS-LBPRGKRZSA-N 0 0 263.772 2.764 10 30 CFEERN N#Cc1sc(Br)nc1Br 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/nfs/dbraw/zinc/90/39/10/171903910.db2.gz CLXXXNHCUJPOMM-JQWIXIFHSA-N 0 0 277.368 2.770 10 30 CFEERN C=C(C)CN(CC)S(=O)(=O)c1sc(Cl)nc1C ZINC000035357111 172147764 /nfs/dbraw/zinc/14/77/64/172147764.db2.gz TVDYRTAXHJIQER-UHFFFAOYSA-N 0 0 294.829 2.692 10 30 CFEERN CCCCC1N=NC(=S)N1N=Cc1ccc(OC)cc1 ZINC000035418335 172190301 /nfs/dbraw/zinc/19/03/01/172190301.db2.gz GAOZOTOZXLMSSA-GDNBJRDFSA-N 0 0 290.392 2.800 10 30 CFEERN CCCOc1ccc(C=Nn2cn[nH]c2=S)cc1 ZINC000035455737 172206909 /nfs/dbraw/zinc/20/69/09/172206909.db2.gz DSUCGYANUARUIA-ZSOIEALJSA-N 0 0 262.338 2.612 10 30 CFEERN N#CCc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000035575471 172272185 /nfs/dbraw/zinc/27/21/85/172272185.db2.gz XUCVXSMEKDJDIV-UHFFFAOYSA-N 0 0 251.211 2.957 10 30 CFEERN COc1cccc(CC(=O)Nc2cccc(F)c2C#N)c1 ZINC000036139193 172463127 /nfs/dbraw/zinc/46/31/27/172463127.db2.gz FETYQXAJVFCQDE-UHFFFAOYSA-N 0 0 284.290 2.887 10 30 CFEERN CCOC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000036374141 172626246 /nfs/dbraw/zinc/62/62/46/172626246.db2.gz OGMSPCSXFYDAKK-JTQLQIEISA-N 0 0 257.211 2.876 10 30 CFEERN COc1ccc(N)cc1COc1ccc(C#N)cc1 ZINC000037011555 172869227 /nfs/dbraw/zinc/86/92/27/172869227.db2.gz DOLFZPHBEOOJGP-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN CC(C)(C)Oc1ccc(C(F)(F)F)cc1/C(N)=N/O ZINC000037334710 173135860 /nfs/dbraw/zinc/13/58/60/173135860.db2.gz FDDXJOATAFZZSP-UHFFFAOYSA-N 0 0 276.258 2.977 10 30 CFEERN COCCC(=O)[C@@H](C#N)c1ccc(OC(F)F)cc1 ZINC000037345400 173143154 /nfs/dbraw/zinc/14/31/54/173143154.db2.gz XNEXQTGYIYLBBP-NSHDSACASA-N 0 0 269.247 2.501 10 30 CFEERN COCCC(=O)[C@@H](C#N)c1cc(Cl)ccc1OC ZINC000037347101 173143708 /nfs/dbraw/zinc/14/37/08/173143708.db2.gz KLHCMFGNMOXGJQ-NSHDSACASA-N 0 0 267.712 2.561 10 30 CFEERN Cc1cc(NC(=O)CCC(C)C)ccc1C#CCO ZINC000037548933 173265952 /nfs/dbraw/zinc/26/59/52/173265952.db2.gz PLKKNGJJUDNUQJ-UHFFFAOYSA-N 0 0 259.349 2.714 10 30 CFEERN N#C[C@@H](NC[C@H]1CCCO1)c1ccccc1Br ZINC000037940218 173879724 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523206456 /nfs/dbraw/zinc/20/64/56/523206456.db2.gz GAOMNWKNBWMPIO-UHFFFAOYSA-N 0 0 269.319 2.806 10 30 CFEERN CN(Cc1ccc(C#CCO)s1)c1cccc(F)c1 ZINC000050006704 523208097 /nfs/dbraw/zinc/20/80/97/523208097.db2.gz UDFHADCBFHLDRB-UHFFFAOYSA-N 0 0 275.348 2.867 10 30 CFEERN CN(Cc1ccc(F)c(C#CCO)c1)c1ccccc1F ZINC000050006690 523239525 /nfs/dbraw/zinc/23/95/25/523239525.db2.gz BNXSNBUNYNOEJO-UHFFFAOYSA-N 0 0 287.309 2.945 10 30 CFEERN COc1ccc(C#CCO)cc1COc1ccccc1C ZINC000049620358 523519372 /nfs/dbraw/zinc/51/93/72/523519372.db2.gz OTXTXSHPKJKAOL-UHFFFAOYSA-N 0 0 282.339 2.926 10 30 CFEERN CCc1c(C)nn(Cc2ccc(F)c(C#CCO)c2)c1C ZINC000049619641 523716728 /nfs/dbraw/zinc/71/67/28/523716728.db2.gz AWCPVWQDTPSKME-UHFFFAOYSA-N 0 0 286.350 2.594 10 30 CFEERN COC(=O)[C@H](NCc1ccccc1C#N)c1ccccc1 ZINC000050508389 523928362 /nfs/dbraw/zinc/92/83/62/523928362.db2.gz KUQXBQXZTHZKKH-MRXNPFEDSA-N 0 0 280.327 2.562 10 30 CFEERN COc1ccc(COCc2ccccc2)cc1C#CCO ZINC000049619892 524118004 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525322338 /nfs/dbraw/zinc/32/23/38/525322338.db2.gz ASMANZIPYLKWOV-CQSZACIVSA-N 0 0 285.387 2.729 10 30 CFEERN C[C@@H](NC(=O)c1ccoc1)c1ccc(C#CCCO)cc1 ZINC000049589482 525367577 /nfs/dbraw/zinc/36/75/77/525367577.db2.gz OSBIKOFWLYTCFB-CYBMUJFWSA-N 0 0 283.327 2.505 10 30 CFEERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)o1 ZINC000311587797 525414395 /nfs/dbraw/zinc/41/43/95/525414395.db2.gz ZEGNQLHOHIJSLG-NSHDSACASA-N 0 0 254.289 2.951 10 30 CFEERN Cc1ccc(Oc2ccnc(C#N)c2)c([N+](=O)[O-])c1 ZINC000061815446 525478122 /nfs/dbraw/zinc/47/81/22/525478122.db2.gz VFLNEOZUNLHRRM-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN C[C@@H](Nc1ncc(N)cc1C#N)c1ccc(F)cc1 ZINC000049506030 525728900 /nfs/dbraw/zinc/72/89/00/525728900.db2.gz PLTFBQFUIPOAJC-SECBINFHSA-N 0 0 256.284 2.848 10 30 CFEERN Cc1ccsc1C(=O)N(C)Cc1ccc(C#CCO)cc1 ZINC000049588323 525816029 /nfs/dbraw/zinc/81/60/29/525816029.db2.gz LTHZWEYUKAEVJG-UHFFFAOYSA-N 0 0 299.395 2.673 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1cccc(N)c1 ZINC000050428719 526004504 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623240294 /nfs/dbraw/zinc/24/02/94/623240294.db2.gz MBSXGPTZHKJCDG-GZMMTYOYSA-N 0 0 293.710 2.670 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061890255 623240422 /nfs/dbraw/zinc/24/04/22/623240422.db2.gz QQFASFUIUFEZKY-KOLCDFICSA-N 0 0 293.710 2.670 10 30 CFEERN C=C(C)COC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171857890 623245899 /nfs/dbraw/zinc/24/58/99/623245899.db2.gz LQCXDOHGAORTNS-GOEBONIOSA-N 0 0 287.359 2.715 10 30 CFEERN C#CCN(C1CCCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000153094898 623837652 /nfs/dbraw/zinc/83/76/52/623837652.db2.gz FWKQKCCMFXVWTP-WYMLVPIESA-N 0 0 289.400 2.865 10 30 CFEERN CC(C)(C#N)COC(=O)Cc1ccc2c(c1)CCC2 ZINC000180161656 625001363 /nfs/dbraw/zinc/00/13/63/625001363.db2.gz ZBAXUNFVVCAPKA-UHFFFAOYSA-N 0 0 257.333 2.811 10 30 CFEERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@H](C)C#N ZINC000105597515 632277410 /nfs/dbraw/zinc/27/74/10/632277410.db2.gz HGHNWSWBBGJBSX-GBYBRZQVSA-N 0 0 272.348 2.905 10 30 CFEERN C#CCCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109185306 633903630 /nfs/dbraw/zinc/90/36/30/633903630.db2.gz ZYWGOUDMECMYPK-MNOVXSKESA-N 0 0 250.244 2.635 10 30 CFEERN C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccs2)c1 ZINC000048878927 650282024 /nfs/dbraw/zinc/28/20/24/650282024.db2.gz ANSGZKDZKZOZOE-NSHDSACASA-N 0 0 298.367 2.545 10 30 CFEERN Oc1ccc(/C=N/[C@@H]2CCOc3ccccc32)c(O)c1O ZINC000193062452 650619937 /nfs/dbraw/zinc/61/99/37/650619937.db2.gz RZEQZSXSBZVHFN-UDPFGDFPSA-N 0 0 285.299 2.746 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)c2ccccc2OCC#N)o1 ZINC000195476423 650755151 /nfs/dbraw/zinc/75/51/51/650755151.db2.gz WREVFXQBNSBUJK-LBPRGKRZSA-N 0 0 284.315 2.981 10 30 CFEERN COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C#N)C(C)C)c1 ZINC000245468446 650816605 /nfs/dbraw/zinc/81/66/05/650816605.db2.gz KSXGZLDXQBSLOA-SOUVJXGZSA-N 0 0 273.332 2.890 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)OC[C@@H](C#N)Cc2cccs2)O1 ZINC000246366630 650865739 /nfs/dbraw/zinc/86/57/39/650865739.db2.gz IZCDACGAXDUVSW-NQBHXWOUSA-N 0 0 279.361 2.541 10 30 CFEERN CCO[C@@]1(c2nnc(-c3ccc(C#N)cc3C)o2)CCOC1 ZINC000886082280 646859085 /nfs/dbraw/zinc/85/90/85/646859085.db2.gz SBRIAGYFBZDOMD-INIZCTEOSA-N 0 0 299.330 2.569 10 30 CFEERN Cc1ccc(C(=O)Cc2nc3cccnc3[nH]c2=O)cc1 ZINC000017780154 230371988 /nfs/dbraw/zinc/37/19/88/230371988.db2.gz WCBJXAFZXQHQHH-LCYFTJDESA-N 0 0 279.299 2.521 10 30 CFEERN C=C(C)OC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095627068 185016655 /nfs/dbraw/zinc/01/66/55/185016655.db2.gz PHANLLSJICRJIN-GFCCVEGCSA-N 0 0 298.383 2.893 10 30 CFEERN CC(=O)c1cc(C#N)cc(CNC(=O)OC(C)(C)C)c1 ZINC000095764630 185027036 /nfs/dbraw/zinc/02/70/36/185027036.db2.gz LYCAIVWDSLTLOH-UHFFFAOYSA-N 0 0 274.320 2.786 10 30 CFEERN COc1cc2ncc(C#N)c(Cl)c2cc1OC(C)=O ZINC000095937943 185035121 /nfs/dbraw/zinc/03/51/21/185035121.db2.gz XBLOCZDFWOFBNT-UHFFFAOYSA-N 0 0 276.679 2.694 10 30 CFEERN COCCOc1cc2c(Cl)c(C#N)cnc2cc1F ZINC000095937917 185035224 /nfs/dbraw/zinc/03/52/24/185035224.db2.gz KUZHHJMAZRISHC-UHFFFAOYSA-N 0 0 280.686 2.924 10 30 CFEERN N#Cc1cccc(N2CCC(c3noc(C4CC4)n3)CC2)n1 ZINC000329748132 136381715 /nfs/dbraw/zinc/38/17/15/136381715.db2.gz SSIIJLRZYASYLZ-UHFFFAOYSA-N 0 0 295.346 2.598 10 30 CFEERN N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccco2)cc1 ZINC000116290040 232194505 /nfs/dbraw/zinc/19/45/05/232194505.db2.gz JNTKIGXPMNHRCW-HNNXBMFYSA-N 0 0 295.342 2.927 10 30 CFEERN CN(C)/C=C1/Cc2ccc(Br)cc2C1=O ZINC000307288513 539477148 /nfs/dbraw/zinc/47/71/48/539477148.db2.gz CDEUDOSBQGGMRJ-CLFYSBASSA-N 0 0 266.138 2.633 10 30 CFEERN N#Cc1csc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000177479064 232362240 /nfs/dbraw/zinc/36/22/40/232362240.db2.gz DXNUOHAQBCTGDM-LBPRGKRZSA-N 0 0 286.360 2.710 10 30 CFEERN CCCCOc1ccc(/C=C/C(=O)NO)cc1F ZINC000005298794 346211193 /nfs/dbraw/zinc/21/11/93/346211193.db2.gz ZGPKYTBDNYEPJE-FNORWQNLSA-N 0 0 253.273 2.523 10 30 CFEERN CN1CCN(CC2(C=O)CCCC2)c2ccccc21 ZINC000104279788 136526262 /nfs/dbraw/zinc/52/62/62/136526262.db2.gz SALWHQMVWXDVNM-UHFFFAOYSA-N 0 0 258.365 2.702 10 30 CFEERN N#CCc1nc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000034337741 346315757 /nfs/dbraw/zinc/31/57/57/346315757.db2.gz OGTHCIVCSUBYSS-UHFFFAOYSA-N 0 0 269.260 2.635 10 30 CFEERN CCN[C@H](C#N)c1cc(Br)ccc1F ZINC000034939486 346319281 /nfs/dbraw/zinc/31/92/81/346319281.db2.gz YIRVPFRGYSKDTP-SNVBAGLBSA-N 0 0 257.106 2.762 10 30 CFEERN C[C@@H](C#N)C(=O)c1cc(F)ccc1Br ZINC000036935197 346324360 /nfs/dbraw/zinc/32/43/60/346324360.db2.gz BQGIWFWPRAAKJA-LURJTMIESA-N 0 0 256.074 2.931 10 30 CFEERN COc1cc(O)ccc1/C=C\C(=O)c1ccc(N)cc1 ZINC000098089081 185685740 /nfs/dbraw/zinc/68/57/40/185685740.db2.gz GTYJFYYDHLXILQ-UITAMQMPSA-N 0 0 269.300 2.879 10 30 CFEERN OCc1cn(Cc2ccccc2)c2c1/C(=N\O)CCC2 ZINC000100069609 185704768 /nfs/dbraw/zinc/70/47/68/185704768.db2.gz PQPAATDYPQUFIJ-VKAVYKQESA-N 0 0 270.332 2.543 10 30 CFEERN CCCCCCCCCCC1=C(O)C(=O)NC1=O ZINC000053684140 346551732 /nfs/dbraw/zinc/55/17/32/346551732.db2.gz LXIDJQZEXUQBGG-UHFFFAOYSA-N 0 0 253.342 2.986 10 30 in-vivo CFEERN CCCCCCCSC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000059568491 346657320 /nfs/dbraw/zinc/65/73/20/346657320.db2.gz WSQLTUVRGWRCRS-LLVKDONJSA-N 0 0 293.454 2.587 10 30 CFEERN Cc1cc(C#N)nc(N2CCCC[C@H]2c2nccs2)n1 ZINC000286045694 232569363 /nfs/dbraw/zinc/56/93/63/232569363.db2.gz BVAIHZULWDJFAM-LBPRGKRZSA-N 0 0 285.376 2.845 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1cc2c(c(Cl)c1)OCO2 ZINC000061891781 346685994 /nfs/dbraw/zinc/68/59/94/346685994.db2.gz YCZFPXNUDRAOCK-JQWIXIFHSA-N 0 0 278.739 2.851 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078371834 347247433 /nfs/dbraw/zinc/24/74/33/347247433.db2.gz ZRDCEVXBQJVTNX-RYUDHWBXSA-N 0 0 269.304 2.869 10 30 CFEERN CCOC(=O)CC[C@H](C)Nc1cc(C)nc(C)c1C#N ZINC000089656840 347525199 /nfs/dbraw/zinc/52/51/99/347525199.db2.gz KHWUWAMEIALPRQ-JTQLQIEISA-N 0 0 275.352 2.714 10 30 CFEERN C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1CCCO1 ZINC000092605896 347634555 /nfs/dbraw/zinc/63/45/55/347634555.db2.gz KSCYKSIOCIWJPI-XPUUQOCRSA-N 0 0 257.746 2.648 10 30 CFEERN CC#CCOc1ncnc(N2C[C@H](C)C[C@@H](C)C2)c1F ZINC000113078123 347766469 /nfs/dbraw/zinc/76/64/69/347766469.db2.gz XVSSMEWAXFOWCI-VXGBXAGGSA-N 0 0 277.343 2.500 10 30 CFEERN CC(C)(C)OC(=O)N1CC(F)(c2ccc(/C=N/O)cc2)C1 ZINC000114112784 347770894 /nfs/dbraw/zinc/77/08/94/347770894.db2.gz WENXQKLAAHOKHI-CAOOACKPSA-N 0 0 294.326 2.910 10 30 CFEERN CCC1CCC(NC(=O)c2ccc(C#N)cn2)CC1 ZINC000104225837 347724586 /nfs/dbraw/zinc/72/45/86/347724586.db2.gz BMINRYTXXYBVBU-UHFFFAOYSA-N 0 0 257.337 2.652 10 30 CFEERN C[C@H](c1ccc(C#Cc2ccccc2)cn1)N1CCOC1=O ZINC000116751309 347788390 /nfs/dbraw/zinc/78/83/90/347788390.db2.gz ORETUDFSHUZGBW-CQSZACIVSA-N 0 0 292.338 2.995 10 30 CFEERN C[C@@H](c1ccc(C#Cc2ccccc2)cn1)N1CCOC1=O ZINC000116751312 347788509 /nfs/dbraw/zinc/78/85/09/347788509.db2.gz ORETUDFSHUZGBW-AWEZNQCLSA-N 0 0 292.338 2.995 10 30 CFEERN CC(C)(C)OC(=O)N(CC=O)CCc1ccccc1 ZINC000117297316 347792091 /nfs/dbraw/zinc/79/20/91/347792091.db2.gz WXMLTLONHQQJRU-UHFFFAOYSA-N 0 0 263.337 2.665 10 30 CFEERN CCOC(C#CC[C@@H](O)c1ccc(F)cc1)OCC ZINC000725254024 539583921 /nfs/dbraw/zinc/58/39/21/539583921.db2.gz ASMNXDGUIFGPJM-CQSZACIVSA-N 0 0 266.312 2.652 10 30 CFEERN CCN(C[C@@H](C)C#N)c1ccc([C@H](C)O)cc1F ZINC000103921428 185861499 /nfs/dbraw/zinc/86/14/99/185861499.db2.gz JBKSSYOPAIVNNE-QWRGUYRKSA-N 0 0 250.317 2.865 10 30 CFEERN C#CCOc1ccc2c(c1)oc1ccccc1c2=O ZINC000136355142 347910071 /nfs/dbraw/zinc/91/00/71/347910071.db2.gz HFLHZPXBWTVDLR-UHFFFAOYSA-N 0 0 250.253 2.958 10 30 CFEERN CC(C)(C)OC(=O)N[C@@](C)(C=O)c1ccc(Cl)nc1 ZINC000139565607 347921360 /nfs/dbraw/zinc/92/13/60/347921360.db2.gz KMNLPFAOQHJNSP-ZDUSSCGKSA-N 0 0 284.743 2.674 10 30 CFEERN CNc1cc(N2CCC(C(F)(F)F)CC2)c(C#N)cc1N ZINC000149139513 347951918 /nfs/dbraw/zinc/95/19/18/347951918.db2.gz KMSCUXVDHDVRTB-UHFFFAOYSA-N 0 0 298.312 2.961 10 30 CFEERN N#Cc1nc(Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000144866952 347942124 /nfs/dbraw/zinc/94/21/24/347942124.db2.gz IQPPCENBKPZGQL-UHFFFAOYSA-N 0 0 276.202 2.883 10 30 CFEERN C#CC(=O)c1nc2ccccc2cc1Br ZINC000158185271 348005116 /nfs/dbraw/zinc/00/51/16/348005116.db2.gz XZSDJVFKWSNJIZ-UHFFFAOYSA-N 0 0 260.090 2.813 10 30 CFEERN C#C[C@@H](O)c1cc2cccc(Br)c2o1 ZINC000160555470 348018630 /nfs/dbraw/zinc/01/86/30/348018630.db2.gz JKTQRKIOBBHRQJ-SECBINFHSA-N 0 0 251.079 2.862 10 30 CFEERN CCCCCCCCNc1nc(N)nc(Cl)n1 ZINC000160693175 348019833 /nfs/dbraw/zinc/01/98/33/348019833.db2.gz YMWLHXMAWMKJNS-UHFFFAOYSA-N 0 0 257.769 2.880 10 30 CFEERN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000086787687 179333041 /nfs/dbraw/zinc/33/30/41/179333041.db2.gz OFINHJMAMCKHBC-TUKIKUTGSA-N 0 0 272.348 2.852 10 30 CFEERN CC#CCCNC(=O)c1cc(C)c(Br)s1 ZINC000164597857 348037253 /nfs/dbraw/zinc/03/72/53/348037253.db2.gz MBGPHUNEIDIALC-UHFFFAOYSA-N 0 0 286.194 2.962 10 30 CFEERN C[C@H](OS(C)(=O)=O)c1ccc(F)cc1Cl ZINC000166222103 348041505 /nfs/dbraw/zinc/04/15/05/348041505.db2.gz RBFKWQIJZGOYFO-LURJTMIESA-N 0 0 252.694 2.516 10 30 CFEERN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000086814868 179343368 /nfs/dbraw/zinc/34/33/68/179343368.db2.gz NPVQZXJANZSDLP-SWLSCSKDSA-N 0 0 272.348 2.948 10 30 CFEERN C=C(Br)CNc1nc(Cl)ccc1N ZINC000168185046 348047843 /nfs/dbraw/zinc/04/78/43/348047843.db2.gz HBSSPYGGPDZZGW-UHFFFAOYSA-N 0 0 262.538 2.638 10 30 CFEERN C/C(=N\NC(=S)N1CCCC[C@@H]1C)c1ccccn1 ZINC000168226756 348047889 /nfs/dbraw/zinc/04/78/89/348047889.db2.gz IDHNLZJVBCWHSX-NRMVZKHRSA-N 0 0 276.409 2.555 10 30 CFEERN COc1cc(Br)ccc1C(=O)[C@@H](C)C#N ZINC000169040802 348050026 /nfs/dbraw/zinc/05/00/26/348050026.db2.gz RBRDNNHHQPVWDH-ZETCQYMHSA-N 0 0 268.110 2.800 10 30 CFEERN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000086816752 179344961 /nfs/dbraw/zinc/34/49/61/179344961.db2.gz HQLITEZGGVWJIA-NHYWBVRUSA-N 0 0 258.321 2.558 10 30 CFEERN Cc1nnc(N[C@@H](C)COCc2ccccc2)c(C#N)c1C ZINC000172781465 348102608 /nfs/dbraw/zinc/10/26/08/348102608.db2.gz ANTYXCWVZRAZIO-LBPRGKRZSA-N 0 0 296.374 2.982 10 30 CFEERN CSC(=NC#N)Nc1ccc(C(F)(F)F)nc1 ZINC000215004471 348162302 /nfs/dbraw/zinc/16/23/02/348162302.db2.gz GHXPPMJBVLLAHF-UHFFFAOYSA-N 0 0 260.244 2.522 10 30 CFEERN CCNC(=O)N1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219246214 348168425 /nfs/dbraw/zinc/16/84/25/348168425.db2.gz YHJBZWVJMQPSQG-UHFFFAOYSA-N 0 0 285.391 2.954 10 30 CFEERN O=C(NC1CC1)c1ccc(C#Cc2cccc(F)c2)cn1 ZINC000223177717 348174315 /nfs/dbraw/zinc/17/43/15/348174315.db2.gz XIGOEWMFUHWQCL-UHFFFAOYSA-N 0 0 280.302 2.513 10 30 CFEERN CN[C@@H](C#N)c1cc(Br)ccc1Cl ZINC000234393842 348220441 /nfs/dbraw/zinc/22/04/41/348220441.db2.gz LVCVYSSMPROZJP-VIFPVBQESA-N 0 0 259.534 2.887 10 30 CFEERN N#Cc1ccnc(OC(F)(F)F)c1Br ZINC000238549153 348247157 /nfs/dbraw/zinc/24/71/57/348247157.db2.gz SKHQQSHBYIBXGS-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#Cc1c(Br)cncc1OC(F)(F)F ZINC000238542686 348247203 /nfs/dbraw/zinc/24/72/03/348247203.db2.gz JCQOFUSLOGSGHW-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN C#C[C@H](C)Oc1ccc(C=O)cc1Br ZINC000235572628 348228993 /nfs/dbraw/zinc/22/89/93/348228993.db2.gz PTHNKCFLCYJHCU-QMMMGPOBSA-N 0 0 253.095 2.662 10 30 CFEERN C#CC[C@](C)(O)c1ccc(I)cc1 ZINC000235716451 348229556 /nfs/dbraw/zinc/22/95/56/348229556.db2.gz GFHAUFLIMJUKAX-NSHDSACASA-N 0 0 286.112 2.522 10 30 CFEERN N#CC#Cc1cc(Cl)ccc1I ZINC000236048309 348231201 /nfs/dbraw/zinc/23/12/01/348231201.db2.gz HYUHDKOHORRUOW-UHFFFAOYSA-N 0 0 287.487 2.820 10 30 CFEERN C=C[C@H](N[C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000304224815 348377750 /nfs/dbraw/zinc/37/77/50/348377750.db2.gz YDHFMEKFRZQDIH-CABZTGNLSA-N 0 0 298.180 2.827 10 30 CFEERN N#Cc1cc(C(F)(F)F)cnc1Br ZINC000307040248 348394966 /nfs/dbraw/zinc/39/49/66/348394966.db2.gz LZBMUIIHROAGRF-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN C=C=CC(=O)c1sccc1I ZINC000307198246 348397336 /nfs/dbraw/zinc/39/73/36/348397336.db2.gz UWHSPAPHWKIEJU-UHFFFAOYSA-N 0 0 276.098 2.559 10 30 CFEERN COc1ccc(Cl)c(NC(=O)C#CBr)c1 ZINC000307308944 348398209 /nfs/dbraw/zinc/39/82/09/348398209.db2.gz DJUWDLSYBNKIPM-UHFFFAOYSA-N 0 0 288.528 2.643 10 30 CFEERN COC(=O)c1cc(Cl)c(Br)cc1C#N ZINC000307531610 348400233 /nfs/dbraw/zinc/40/02/33/348400233.db2.gz VQOOGKQCRUAWJO-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN COc1ccc(C[C@@]2(C#N)CCOC2)cc1Br ZINC000087930721 179525837 /nfs/dbraw/zinc/52/58/37/179525837.db2.gz HAMZPNMABISTDW-CYBMUJFWSA-N 0 0 296.164 2.930 10 30 CFEERN CCS(=O)(=O)CC[C@@]1(C#N)CCc2ccccc2C1 ZINC000087998218 179534552 /nfs/dbraw/zinc/53/45/52/179534552.db2.gz JDTWRSLAJUDZIU-HNNXBMFYSA-N 0 0 277.389 2.510 10 30 CFEERN COc1cccc(NC(=CC(N)=O)c2ccccc2)c1 ZINC000584595845 348683794 /nfs/dbraw/zinc/68/37/94/348683794.db2.gz DGBWPOCGHRNMIW-SDXDJHTJSA-N 0 0 268.316 2.691 10 30 CFEERN C#C[C@@](OC(C)=O)(c1ccc(F)cc1)C1(C#N)CC1 ZINC000584603380 348686277 /nfs/dbraw/zinc/68/62/77/348686277.db2.gz RPVGACOJFVXPHW-OAHLLOKOSA-N 0 0 257.264 2.521 10 30 CFEERN C=CCN1C(=O)C[C@@]2(CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000584624900 348693632 /nfs/dbraw/zinc/69/36/32/348693632.db2.gz LBILTNOKJWLSGE-SKDRFNHKSA-N 0 0 275.270 2.670 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1ccc(F)cn1 ZINC000584629489 348695465 /nfs/dbraw/zinc/69/54/65/348695465.db2.gz UGUQRNCTQGLFTF-GJZGRUSLSA-N 0 0 270.307 2.994 10 30 CFEERN C=CCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584632673 348695725 /nfs/dbraw/zinc/69/57/25/348695725.db2.gz LKULRMHSIIBNPJ-UHFFFAOYSA-N 0 0 272.279 2.509 10 30 CFEERN N#C[C@H](c1cccnc1)[C@H](CCO)c1ccc([N+](=O)[O-])cc1 ZINC000584633365 348696676 /nfs/dbraw/zinc/69/66/76/348696676.db2.gz GTLBDWPVAUXXFW-HZPDHXFCSA-N 0 0 297.314 2.763 10 30 CFEERN C=C(Br)[C@H]1CN=C(c2ccccc2)O1 ZINC000584637012 348699045 /nfs/dbraw/zinc/69/90/45/348699045.db2.gz GAYILTYFVJQUHM-SNVBAGLBSA-N 0 0 252.111 2.741 10 30 CFEERN C=C(Br)[C@H]1CN=C(c2cccs2)O1 ZINC000584637078 348699079 /nfs/dbraw/zinc/69/90/79/348699079.db2.gz QXLMEPHFDHPJAQ-SSDOTTSWSA-N 0 0 258.140 2.802 10 30 CFEERN N#C[C@H](c1cnco1)[C@H](CCO)c1c(F)cccc1F ZINC000584638649 348699628 /nfs/dbraw/zinc/69/96/28/348699628.db2.gz SKVVXZHRZXYURY-UWVGGRQHSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cncs1 ZINC000584639359 348699721 /nfs/dbraw/zinc/69/97/21/348699721.db2.gz VGFATDUQPGLXDJ-CHWSQXEVSA-N 0 0 258.346 2.916 10 30 CFEERN N#C[C@H](c1cc(F)cc(F)c1)[C@@H](CCO)c1cnco1 ZINC000584638701 348699877 /nfs/dbraw/zinc/69/98/77/348699877.db2.gz UAVRKMUXLHHFDF-CHWSQXEVSA-N 0 0 278.258 2.726 10 30 CFEERN C[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C)O1 ZINC000584640757 348700221 /nfs/dbraw/zinc/70/02/21/348700221.db2.gz ROBOGRVDICNRNY-RYUDHWBXSA-N 0 0 267.332 2.720 10 30 CFEERN N#Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000592712823 349155539 /nfs/dbraw/zinc/15/55/39/349155539.db2.gz MOGCKCYRWRCUPU-OPQQBVKSSA-N 0 0 276.286 2.755 10 30 CFEERN N#Cc1cnc(C#N)c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000090568394 180007627 /nfs/dbraw/zinc/00/76/27/180007627.db2.gz LKTHLEZFKPFICK-UHFFFAOYSA-N 0 0 289.220 2.982 10 30 CFEERN COC(=O)c1ccc(/C=C/C#Cc2cncs2)cc1 ZINC000091351949 180137521 /nfs/dbraw/zinc/13/75/21/180137521.db2.gz ABODXOKUUYRTNA-DUXPYHPUSA-N 0 0 269.325 2.995 10 30 CFEERN Cc1noc(NC2=CC(=O)C(=O)c3ccccc32)c1C ZINC000106121777 186102954 /nfs/dbraw/zinc/10/29/54/186102954.db2.gz VNVKTYUMZHBALO-UHFFFAOYSA-N 0 0 268.272 2.510 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cscc1Cl ZINC000601272869 350714666 /nfs/dbraw/zinc/71/46/66/350714666.db2.gz ANECGYMXFZSJEZ-OIBJUYFYSA-N 0 0 254.742 2.824 10 30 CFEERN N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000609149800 351488517 /nfs/dbraw/zinc/48/85/17/351488517.db2.gz SFIUVODGUAYTDC-RYUDHWBXSA-N 0 0 250.729 2.927 10 30 CFEERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000122465751 187033996 /nfs/dbraw/zinc/03/39/96/187033996.db2.gz NARCILSBOMPGBM-SECBINFHSA-N 0 0 265.338 2.654 10 30 CFEERN COC(=O)N1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616655413 352400638 /nfs/dbraw/zinc/40/06/38/352400638.db2.gz WBCMBRDQCVKSEO-CYBMUJFWSA-N 0 0 258.321 2.894 10 30 CFEERN CC(C)(C)OC(=O)N1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616644021 352396647 /nfs/dbraw/zinc/39/66/47/352396647.db2.gz BOBWDRBEKMWHKI-CQSZACIVSA-N 0 0 288.347 2.867 10 30 CFEERN C=CCCOCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000155203639 188190773 /nfs/dbraw/zinc/19/07/73/188190773.db2.gz WFZXADNEVLTFMD-OLZOCXBDSA-N 0 0 295.329 2.777 10 30 CFEERN C=C(C)CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000156739173 188278716 /nfs/dbraw/zinc/27/87/16/188278716.db2.gz AVYDJPWXSJNBFA-NXEZZACHSA-N 0 0 264.291 2.983 10 30 CFEERN C=C(C)CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000156739300 188279070 /nfs/dbraw/zinc/27/90/70/188279070.db2.gz AVYDJPWXSJNBFA-ZJUUUORDSA-N 0 0 264.291 2.983 10 30 CFEERN C=CCCC(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000161347334 188523280 /nfs/dbraw/zinc/52/32/80/188523280.db2.gz RUPMBAXTYUQPSX-NSHDSACASA-N 0 0 255.358 2.579 10 30 CFEERN N#Cc1ccc(N[C@H]2CCOc3ccccc32)cn1 ZINC000149335266 283181628 /nfs/dbraw/zinc/18/16/28/283181628.db2.gz NCWJFZSHTIFOKK-AWEZNQCLSA-N 0 0 251.289 2.889 10 30 CFEERN N#Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1 ZINC000054917645 283225524 /nfs/dbraw/zinc/22/55/24/283225524.db2.gz BLFJAOFSZBPELC-CYBMUJFWSA-N 0 0 251.289 2.889 10 30 CFEERN N#Cc1cnc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000246990715 283233969 /nfs/dbraw/zinc/23/39/69/283233969.db2.gz KUKTUSYDFHZPSC-WFASDCNBSA-N 0 0 291.782 2.738 10 30 CFEERN C=CCCCCCN(C)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177360260 189046226 /nfs/dbraw/zinc/04/62/26/189046226.db2.gz GDJULPWTCMVUAJ-CYBMUJFWSA-N 0 0 291.399 2.501 10 30 CFEERN CCS[C@H]1CC[C@@]1(O)CNc1cccc(F)c1C#N ZINC000301496993 201030460 /nfs/dbraw/zinc/03/04/60/201030460.db2.gz UKRAHOWLQIDMCU-UONOGXRCSA-N 0 0 280.368 2.756 10 30 CFEERN CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1c1ccccc1 ZINC000301922931 201265633 /nfs/dbraw/zinc/26/56/33/201265633.db2.gz GGEXYEYVGAPNBN-OAHLLOKOSA-N 0 0 278.359 2.978 10 30 CFEERN COc1ccc(C2(CNc3ccc(C#N)nn3)CC2)cc1 ZINC000301981171 201286752 /nfs/dbraw/zinc/28/67/52/201286752.db2.gz XWKCUNBZPGREBL-UHFFFAOYSA-N 0 0 280.331 2.501 10 30 CFEERN Cc1cc(NCCc2ccc(CO)cc2)c(C#N)c(C)n1 ZINC000302040403 201313645 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/nfs/dbraw/zinc/76/59/94/382765994.db2.gz JUNXQIFQRRMETP-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575390431 382766363 /nfs/dbraw/zinc/76/63/63/382766363.db2.gz LLKOAHDJYSRQNW-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575390579 382766377 /nfs/dbraw/zinc/76/63/77/382766377.db2.gz ZXHKSDRZJPUVJW-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1cc(C#N)cc(C=O)c1SC(F)(F)F ZINC000575391038 382766678 /nfs/dbraw/zinc/76/66/78/382766678.db2.gz FKWYYFBUQWZIKE-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(C#N)c(OC)c(SC(F)(F)F)c1 ZINC000575394090 382768025 /nfs/dbraw/zinc/76/80/25/382768025.db2.gz AISJTUAVKCYEAA-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN COC(=O)c1cc(C)c(OC(F)(F)F)cc1C#N ZINC000575394325 382768182 /nfs/dbraw/zinc/76/81/82/382768182.db2.gz CYELJFGCFDEIIA-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)cc(OC)c1C#N ZINC000575394502 382768248 /nfs/dbraw/zinc/76/82/48/382768248.db2.gz NSACBCJZVGFDKL-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)Cc1cc(C)cc(C(F)(F)F)c1C#N ZINC000575394672 382768261 /nfs/dbraw/zinc/76/82/61/382768261.db2.gz JKZKDNYMOJBJQY-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1OC ZINC000575394368 382768272 /nfs/dbraw/zinc/76/82/72/382768272.db2.gz IZYALHJUMZPBIV-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C)c1OC(F)(F)F ZINC000575394753 382768439 /nfs/dbraw/zinc/76/84/39/382768439.db2.gz NMTLNUVUTQLVDQ-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1OC ZINC000575395132 382768456 /nfs/dbraw/zinc/76/84/56/382768456.db2.gz XRZGRUSCFIQTKA-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN N#Cc1cccc(NC(=O)OCc2ccccc2)n1 ZINC000199814380 382772393 /nfs/dbraw/zinc/77/23/93/382772393.db2.gz SAAWTUCVOCYOOP-UHFFFAOYSA-N 0 0 253.261 2.702 10 30 CFEERN Cc1c(Br)c(C#N)nn1CC1CCC1 ZINC000575602735 382774869 /nfs/dbraw/zinc/77/48/69/382774869.db2.gz WANHQBNHBYGAOL-UHFFFAOYSA-N 0 0 254.131 2.626 10 30 CFEERN C[C@H]1CC[C@@H]1Cn1cc(Br)c(C#N)n1 ZINC000575602121 382774905 /nfs/dbraw/zinc/77/49/05/382774905.db2.gz IVBRYSHVGSSFGA-JGVFFNPUSA-N 0 0 254.131 2.563 10 30 CFEERN CCOc1cc(OC(F)F)c(C#N)cc1CC#N ZINC000575638404 382776431 /nfs/dbraw/zinc/77/64/31/382776431.db2.gz HUJMALSQQOCETI-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1ccc(CC#N)c(OC(F)F)c1C#N ZINC000575639382 382776502 /nfs/dbraw/zinc/77/65/02/382776502.db2.gz QVBILEZFLPMVEX-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(OC(F)F)cc(CC#N)cc1[N+](=O)[O-] ZINC000575656178 382779762 /nfs/dbraw/zinc/77/97/62/382779762.db2.gz DPWGSVHYKAFEJC-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(CC#N)c(C=O)cc1OC(F)F ZINC000575657388 382780008 /nfs/dbraw/zinc/78/00/08/382780008.db2.gz UMWGUSQCQZOZNE-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCc1cc(OC(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575659574 382780655 /nfs/dbraw/zinc/78/06/55/382780655.db2.gz JDFONFAHURYTTQ-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1cc(OC(F)F)c(O)c(OC(F)(F)F)c1 ZINC000575661229 382781036 /nfs/dbraw/zinc/78/10/36/382781036.db2.gz AZHHMXMZLGWWMA-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCc1c(CC#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575660760 382781062 /nfs/dbraw/zinc/78/10/62/382781062.db2.gz WHXNLYISBYZNNA-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#Cc1cc(OC(F)(F)F)cc(OC(F)F)c1O ZINC000575661328 382781090 /nfs/dbraw/zinc/78/10/90/382781090.db2.gz FFWBIIDVEJUVIJ-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#CCc1c(N)cc(I)cc1Cl ZINC000575715768 382794937 /nfs/dbraw/zinc/79/49/37/382794937.db2.gz QMCWRWFMCWLDES-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1c(O)cc(OC(F)F)cc1C(F)(F)F ZINC000575662422 382781809 /nfs/dbraw/zinc/78/18/09/382781809.db2.gz ZYBZEKARJCOHQA-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1cc(O)cc(OC(F)F)c1OC(F)(F)F ZINC000575662416 382782124 /nfs/dbraw/zinc/78/21/24/382782124.db2.gz ZPJDSCNKJFUBRA-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#Cc1c(OC(F)(F)F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575667104 382782735 /nfs/dbraw/zinc/78/27/35/382782735.db2.gz KMZQCNIZTNZUFO-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN N#CCc1cc(OC(F)F)c(N)cc1Br ZINC000575715050 382795033 /nfs/dbraw/zinc/79/50/33/382795033.db2.gz YYYILKLKGDSGSX-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1c(C#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575670458 382783594 /nfs/dbraw/zinc/78/35/94/382783594.db2.gz IARNEDSSGBIRCN-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1cc(I)c(C#N)cc1C ZINC000575670033 382783627 /nfs/dbraw/zinc/78/36/27/382783627.db2.gz BGVJGBRYFCQUGQ-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575670829 382783636 /nfs/dbraw/zinc/78/36/36/382783636.db2.gz NCOIAGKVGDUGGE-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN N#Cc1c(Br)c(Cl)ccc1[N+](=O)[O-] ZINC000575677378 382784503 /nfs/dbraw/zinc/78/45/03/382784503.db2.gz KWBPPCBBBAVTCC-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COC(=O)c1ccc2c(c1)[nH]c1cc(C#N)ccc12 ZINC000216861355 382784598 /nfs/dbraw/zinc/78/45/98/382784598.db2.gz KPWYOFCQPDUYBS-UHFFFAOYSA-N 0 0 250.257 2.979 10 30 CFEERN N#Cc1c(Br)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575684549 382787360 /nfs/dbraw/zinc/78/73/60/382787360.db2.gz HAIAXWPCRXHPOM-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN CS(=O)(=O)OCc1c2ccccc2ncc1C1CC1 ZINC000218158098 382789430 /nfs/dbraw/zinc/78/94/30/382789430.db2.gz KJHFPBQXWBVFBA-UHFFFAOYSA-N 0 0 277.345 2.588 10 30 CFEERN Cc1c(F)ccc(CC#N)c1I ZINC000575706206 382792323 /nfs/dbraw/zinc/79/23/23/382792323.db2.gz WLTRMQJRRXAEIZ-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN COc1c(I)cc(C)cc1CC#N ZINC000575708971 382792851 /nfs/dbraw/zinc/79/28/51/382792851.db2.gz QIGPSFUAHHKFJB-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1Cl ZINC000575343028 382759699 /nfs/dbraw/zinc/75/96/99/382759699.db2.gz SVVJRJBBHZKISX-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1c(C#N)c(OC)ccc1C(F)F ZINC000575343573 382759712 /nfs/dbraw/zinc/75/97/12/382759712.db2.gz KOYMWSYBHMQYGR-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(Cl)c(C#N)cc1OC(F)F ZINC000575343023 382759754 /nfs/dbraw/zinc/75/97/54/382759754.db2.gz RWMRIZQCWRRVRW-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(C)cc(C#N)c1C(F)F ZINC000575343959 382759958 /nfs/dbraw/zinc/75/99/58/382759958.db2.gz KVQDVSBAMLZCCI-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1c(C(F)F)ccc(C#N)c1OC ZINC000575343648 382760005 /nfs/dbraw/zinc/76/00/05/382760005.db2.gz VMPLAFLYQXJMOE-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1OC ZINC000575343661 382760058 /nfs/dbraw/zinc/76/00/58/382760058.db2.gz XMUNIVWJYQDNTH-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1c(C#N)c(F)ccc1C(F)(F)F ZINC000575344677 382760115 /nfs/dbraw/zinc/76/01/15/382760115.db2.gz HKSXMOWSIWPWQH-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(F)c(C(F)(F)F)c1 ZINC000575344877 382760252 /nfs/dbraw/zinc/76/02/52/382760252.db2.gz FJUYMJNMUMARFJ-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1cc(F)cc(C(F)(F)F)c1C#N ZINC000575344901 382760272 /nfs/dbraw/zinc/76/02/72/382760272.db2.gz HHLQISOJKCKEMU-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1F ZINC000575345065 382760338 /nfs/dbraw/zinc/76/03/38/382760338.db2.gz ULYBDBAMJAFAEI-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(F)c1C#N ZINC000575344982 382760429 /nfs/dbraw/zinc/76/04/29/382760429.db2.gz LRMULQJGQUFGSA-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN C#C[C@H](C)Oc1cc(Br)ccc1C=O ZINC000222081679 382800854 /nfs/dbraw/zinc/80/08/54/382800854.db2.gz PMVXOZIAIRDASP-QMMMGPOBSA-N 0 0 253.095 2.662 10 30 CFEERN O=C(CS)Nc1cc(Br)c(F)cc1F ZINC000228221510 382845572 /nfs/dbraw/zinc/84/55/72/382845572.db2.gz VDGOTVAJHPYICA-UHFFFAOYSA-N 0 0 282.109 2.596 10 30 CFEERN N#Cc1sc(NC[C@@H]2CCCC[C@@H]2O)nc1Cl ZINC000236554760 382894983 /nfs/dbraw/zinc/89/49/83/382894983.db2.gz LOAHIYHMFMAGEC-YUMQZZPRSA-N 0 0 271.773 2.631 10 30 CFEERN C=CC[C@](N)(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000584643248 383113266 /nfs/dbraw/zinc/11/32/66/383113266.db2.gz QEVBMDXKNLWPAX-INIZCTEOSA-N 0 0 261.365 2.844 10 30 CFEERN COC(=O)c1ccc(N=Cc2ccc(OC)c(O)c2)cc1 ZINC000254491882 383468096 /nfs/dbraw/zinc/46/80/96/383468096.db2.gz AGYPFELYSYMAOI-UHFFFAOYSA-N 0 0 285.299 2.938 10 30 CFEERN Fc1ccc(NC(=S)NN=Cc2ccncc2)c(F)c1 ZINC000254679032 383470028 /nfs/dbraw/zinc/47/00/28/383470028.db2.gz HTZDTFARDRGVMO-UHFFFAOYSA-N 0 0 292.314 2.680 10 30 CFEERN CC(C)(C)[C@@H](O)CNc1c(C#N)cnc2ccccc21 ZINC000266359150 384156897 /nfs/dbraw/zinc/15/68/97/384156897.db2.gz KLZJECMLDCYBDD-AWEZNQCLSA-N 0 0 269.348 2.925 10 30 CFEERN O=[N+]([O-])c1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000033391084 285108454 /nfs/dbraw/zinc/10/84/54/285108454.db2.gz BZYSETGTAMPLET-ZROIWOOFSA-N 0 0 286.247 2.949 10 30 CFEERN C[C@@H](Nc1cccc(C#N)n1)c1ccc2c(c1)OCCO2 ZINC000270011975 384941319 /nfs/dbraw/zinc/94/13/19/384941319.db2.gz BDEUWOZWZWVEBL-LLVKDONJSA-N 0 0 281.315 2.898 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000116856796 260003484 /nfs/dbraw/zinc/00/34/84/260003484.db2.gz SWAVSAUIHWFNMI-NWDGAFQWSA-N 0 0 284.400 2.761 10 30 CFEERN O=C(Nc1ccc2ccoc2c1)N1CCC[C@](F)(CO)C1 ZINC000329236789 227373294 /nfs/dbraw/zinc/37/32/94/227373294.db2.gz JUDUTPDMWCNDFX-OAHLLOKOSA-N 0 0 292.310 2.775 10 30 CFEERN C[C@@H]1OCCC[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000191918939 130329086 /nfs/dbraw/zinc/32/90/86/130329086.db2.gz PLKYZKMWSKJTAK-GXFFZTMASA-N 0 0 292.766 2.990 10 30 CFEERN Cc1cc(=O)c2cccc(C(F)(F)F)c2n1CC#N ZINC000040174227 393541161 /nfs/dbraw/zinc/54/11/61/393541161.db2.gz YIPKPOUUQMBYGO-UHFFFAOYSA-N 0 0 266.222 2.852 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000182400583 393510473 /nfs/dbraw/zinc/51/04/73/393510473.db2.gz VTTBWLCATLQFNT-UTLUCORTSA-N 0 0 277.290 2.566 10 30 CFEERN CC[C@@H](NC(=O)NC[C@H](C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000182702323 393512986 /nfs/dbraw/zinc/51/29/86/393512986.db2.gz KNCUDQBVZMPSET-ZWNOBZJWSA-N 0 0 290.323 2.505 10 30 CFEERN CC(C)[C@H](C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000046805055 393580577 /nfs/dbraw/zinc/58/05/77/393580577.db2.gz LHWKDZLIBVLELE-LBPRGKRZSA-N 0 0 276.405 2.952 10 30 CFEERN COC(=O)c1cc(F)cc(C#C[Si](C)(C)C)c1 ZINC000203253645 393749315 /nfs/dbraw/zinc/74/93/15/393749315.db2.gz KIKZIBIPEXTBKK-UHFFFAOYSA-N 0 0 250.345 2.841 10 30 CFEERN CN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(C#N)c1 ZINC000226280194 393770781 /nfs/dbraw/zinc/77/07/81/393770781.db2.gz MYGGOHMZFOSEJB-UHFFFAOYSA-N 0 0 297.280 2.684 10 30 CFEERN N#Cc1ccc(N2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000094593095 393809086 /nfs/dbraw/zinc/80/90/86/393809086.db2.gz SVPGANVXZNQGBE-DZGCQCFKSA-N 0 0 287.319 2.614 10 30 CFEERN COc1ccc(CN[C@H]2CCCC[C@@H]2C#N)c(OC)c1 ZINC000109554170 393879784 /nfs/dbraw/zinc/87/97/84/393879784.db2.gz MCDRAZZUJZJLJN-DOMZBBRYSA-N 0 0 274.364 2.876 10 30 CFEERN CCOc1ccc(C=Nc2ccc(C(N)=O)cc2)cc1 ZINC000263627013 393964317 /nfs/dbraw/zinc/96/43/17/393964317.db2.gz NNGWYUSCVVHGAR-UHFFFAOYSA-N 0 0 268.316 2.935 10 30 CFEERN CC[C@@H](CC#N)N1CCN(c2ccccc2F)CC1 ZINC000037746590 134848831 /nfs/dbraw/zinc/84/88/31/134848831.db2.gz RDNLMSYKMDLJPR-ZDUSSCGKSA-N 0 0 261.344 2.640 10 30 CFEERN N#Cc1cc(CN2CC[C@@H](Oc3cccnc3)C2)ccc1F ZINC000152227715 394272985 /nfs/dbraw/zinc/27/29/85/394272985.db2.gz YWZNXEYWMRWAMI-MRXNPFEDSA-N 0 0 297.333 2.746 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000178562198 394389446 /nfs/dbraw/zinc/38/94/46/394389446.db2.gz KEFADMAHKDSPAV-FZMZJTMJSA-N 0 0 273.336 2.556 10 30 CFEERN COC(=O)[C@@H]1O[C@]1(C)c1c(Cl)cccc1Cl ZINC000400894956 542993266 /nfs/dbraw/zinc/99/32/66/542993266.db2.gz KLEYSHDKYFZBOY-GXSJLCMTSA-N 0 0 261.104 2.780 10 30 CFEERN C=CC(=O)C[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405470001 543018345 /nfs/dbraw/zinc/01/83/45/543018345.db2.gz YCLMRPHNHCDJAX-PWSUYJOCSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000405452532 543018360 /nfs/dbraw/zinc/01/83/60/543018360.db2.gz GHPKSVBVNJXCCA-LLVKDONJSA-N 0 0 253.342 2.921 10 30 CFEERN C=CCC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405490580 543020130 /nfs/dbraw/zinc/02/01/30/543020130.db2.gz GJAFRFGVEXGWNM-AWEZNQCLSA-N 0 0 253.342 2.921 10 30 CFEERN C=CCCCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405724335 543023015 /nfs/dbraw/zinc/02/30/15/543023015.db2.gz QTFXCCCPMSSQLB-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405804063 543024440 /nfs/dbraw/zinc/02/44/40/543024440.db2.gz BULQLRAYXKKVBC-MNOVXSKESA-N 0 0 253.342 2.825 10 30 CFEERN CCO[C@@H](C#N)c1ccc(I)cc1 ZINC000307012247 397643153 /nfs/dbraw/zinc/64/31/53/397643153.db2.gz KRSWBCMDXPBOOF-JTQLQIEISA-N 0 0 287.100 2.892 10 30 CFEERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)C2 ZINC000181333499 292350165 /nfs/dbraw/zinc/35/01/65/292350165.db2.gz TWLPLPRQKVVPER-ZBEGNZNMSA-N 0 0 279.343 2.858 10 30 CFEERN N#CCSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000005410570 170095293 /nfs/dbraw/zinc/09/52/93/170095293.db2.gz FJTWZNKRXXCEIW-UHFFFAOYSA-N 0 0 272.289 2.667 10 30 CFEERN COc1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1O ZINC000005514869 170106918 /nfs/dbraw/zinc/10/69/18/170106918.db2.gz OTENDEJSBSEEAQ-OQLLNIDSSA-N 0 0 287.275 2.755 10 30 CFEERN COc1ccc(O)c(C=NN=c2[nH]c3ccccc3o2)c1 ZINC000005661254 170125123 /nfs/dbraw/zinc/12/51/23/170125123.db2.gz GBINMUMEPLQPSJ-CXUHLZMHSA-N 0 0 283.287 2.988 10 30 CFEERN O=C1c2ccccc2N=C1NNC(=S)Nc1ccccc1 ZINC000006269671 170187067 /nfs/dbraw/zinc/18/70/67/170187067.db2.gz WKNOMMZOXKLFNQ-UHFFFAOYSA-N 0 0 296.355 2.595 10 30 CFEERN Cc1ccc(NC(=S)N/N=C/c2ccncc2)cc1 ZINC000006332092 170192620 /nfs/dbraw/zinc/19/26/20/170192620.db2.gz YRAKUWACXBVLSB-MHWRWJLKSA-N 0 0 270.361 2.711 10 30 CFEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCc2ccccc21 ZINC000006401472 170198480 /nfs/dbraw/zinc/19/84/80/170198480.db2.gz UWFGTITUPZWIDS-CYBMUJFWSA-N 0 0 292.338 2.915 10 30 CFEERN CCOC(=O)/C(=N\Nc1ccc(C)cc1)N(CC)CC ZINC000006937371 170256737 /nfs/dbraw/zinc/25/67/37/170256737.db2.gz IJAZBMCJRIZZTP-SAPNQHFASA-N 0 0 277.368 2.625 10 30 CFEERN Cc1cccc2c1NC(=O)C2=NNc1ccc(F)cc1 ZINC000007949183 170309229 /nfs/dbraw/zinc/30/92/29/170309229.db2.gz RISZOTRWLHWVGU-UHFFFAOYSA-N 0 0 269.279 2.902 10 30 CFEERN Cc1cc(-n2ncc(C#N)c2N)nc2ccc(Cl)cc12 ZINC000008409911 170335408 /nfs/dbraw/zinc/33/54/08/170335408.db2.gz ZTYQPVDBPHXPLF-UHFFFAOYSA-N 0 0 283.722 2.836 10 30 CFEERN COc1cccc(C=O)c1OCc1ccccc1C#N ZINC000008495548 170338129 /nfs/dbraw/zinc/33/81/29/170338129.db2.gz WQIRUDWFIXKKGG-UHFFFAOYSA-N 0 0 267.284 2.958 10 30 CFEERN C(=N\n1cnnc1)\c1ccccc1OCc1ccccc1 ZINC000008779089 170355733 /nfs/dbraw/zinc/35/57/33/170355733.db2.gz VOCKZYWAAUUGLZ-GRSHGNNSSA-N 0 0 278.315 2.739 10 30 CFEERN C[C@H]1C[C@H](C)CN(CC(=O)c2ccc(C#N)cc2)C1 ZINC000009997502 170394245 /nfs/dbraw/zinc/39/42/45/170394245.db2.gz CUKZRHYWUDVKHJ-STQMWFEESA-N 0 0 256.349 2.719 10 30 CFEERN COc1cc(C#N)ccc1Oc1cc(C#N)ccn1 ZINC000019428734 170796496 /nfs/dbraw/zinc/79/64/96/170796496.db2.gz WCHXZMUKENTHPP-UHFFFAOYSA-N 0 0 251.245 2.626 10 30 CFEERN CC1CCC(OCc2cccc(/C(N)=N/O)c2)CC1 ZINC000019429585 170796626 /nfs/dbraw/zinc/79/66/26/170796626.db2.gz AMQDSRBIVQMLQT-UHFFFAOYSA-N 0 0 262.353 2.876 10 30 CFEERN N#Cc1ccc(CN2CCCCCCC2=O)c(F)c1 ZINC000019484864 170811844 /nfs/dbraw/zinc/81/18/44/170811844.db2.gz GVPUEDUARVOIGW-UHFFFAOYSA-N 0 0 260.312 2.990 10 30 CFEERN Cc1cccc(C)c1OCc1ccc(/C(N)=N/O)cc1 ZINC000019808452 170877505 /nfs/dbraw/zinc/87/75/05/170877505.db2.gz IKXWASXALBGWGD-UHFFFAOYSA-N 0 0 270.332 2.977 10 30 CFEERN N#CCCN(C(=O)c1ccccc1N)c1ccccc1 ZINC000019833367 170883380 /nfs/dbraw/zinc/88/33/80/170883380.db2.gz GPTBXJORVRBYLC-UHFFFAOYSA-N 0 0 265.316 2.829 10 30 CFEERN N#Cc1ccnc(Sc2nnc(C3CC3)n2C2CC2)c1 ZINC000019846583 170895043 /nfs/dbraw/zinc/89/50/43/170895043.db2.gz LTFNJLVIORDVQC-UHFFFAOYSA-N 0 0 283.360 2.908 10 30 CFEERN CC(C)C[C@@H](C)OCC(=O)Nc1cccc(C#N)c1 ZINC000019847506 170896832 /nfs/dbraw/zinc/89/68/32/170896832.db2.gz YIQZCQWJBNIKOK-GFCCVEGCSA-N 0 0 260.337 2.948 10 30 CFEERN N#Cc1ccc(NC(=O)N2CCc3cc(N)ccc32)cc1 ZINC000019874885 170904492 /nfs/dbraw/zinc/90/44/92/170904492.db2.gz QGJMOVGZGFKIDM-UHFFFAOYSA-N 0 0 278.315 2.735 10 30 CFEERN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000020261480 171118942 /nfs/dbraw/zinc/11/89/42/171118942.db2.gz PCZXTKGZHIVMNK-LBPRGKRZSA-N 0 0 296.326 2.973 10 30 CFEERN C[C@H](Nc1ccc(C#N)cc1)C(=O)NC1CCCCC1 ZINC000020308100 171143340 /nfs/dbraw/zinc/14/33/40/171143340.db2.gz QICTZKBUIOSTBG-LBPRGKRZSA-N 0 0 271.364 2.808 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020358599 171157709 /nfs/dbraw/zinc/15/77/09/171157709.db2.gz HFOXKZGHUASASW-SNVBAGLBSA-N 0 0 250.367 2.511 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366420 171165199 /nfs/dbraw/zinc/16/51/99/171165199.db2.gz YRLCWMOIOHZCLK-MRVPVSSYSA-N 0 0 271.147 2.543 10 30 CFEERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccccc1C#N ZINC000020367075 171166012 /nfs/dbraw/zinc/16/60/12/171166012.db2.gz CMDWSCPIMISEQN-NSHDSACASA-N 0 0 259.353 2.663 10 30 CFEERN C=C(C)COc1ccc(Br)cc1CO ZINC000020483164 171223792 /nfs/dbraw/zinc/22/37/92/171223792.db2.gz YKCIFLZMWYUXHQ-UHFFFAOYSA-N 0 0 257.127 2.896 10 30 CFEERN CC(C)CC(=O)NC(=S)Nc1ccc(CC#N)cc1 ZINC000020496840 171227089 /nfs/dbraw/zinc/22/70/89/171227089.db2.gz FTIPKEGEVXAJKB-UHFFFAOYSA-N 0 0 275.377 2.612 10 30 CFEERN CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1C#N ZINC000020558507 171250653 /nfs/dbraw/zinc/25/06/53/171250653.db2.gz UMZWGPKHWAAMHG-UHFFFAOYSA-N 0 0 292.404 2.653 10 30 CFEERN CC[C@@H](C)Sc1nnc(NN=Cc2ccccc2O)[nH]1 ZINC000020832495 171275267 /nfs/dbraw/zinc/27/52/67/171275267.db2.gz GKRLCFDVBCYCOL-MBBDXHFBSA-N 0 0 291.380 2.847 10 30 CFEERN COc1ccc(COc2cccc(C#N)c2)cc1N ZINC000021513467 171311289 /nfs/dbraw/zinc/31/12/89/171311289.db2.gz TVAGZBLPLPWZEG-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN COCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N ZINC000021948885 171338735 /nfs/dbraw/zinc/33/87/35/171338735.db2.gz FOIAIZRAEOVTCG-UHFFFAOYSA-N 0 0 265.675 2.683 10 30 CFEERN CC(=O)Nc1ccc(/N=C/c2cccc(O)c2O)cc1 ZINC000022726574 171397002 /nfs/dbraw/zinc/39/70/02/171397002.db2.gz AFXPGZOAJCFFSI-CXUHLZMHSA-N 0 0 270.288 2.807 10 30 CFEERN C[C@@H](NNC(=S)N(C)C)c1nccc2ccccc21 ZINC000027992962 171543178 /nfs/dbraw/zinc/54/31/78/171543178.db2.gz NUWUZHOZAGKMQH-SNVBAGLBSA-N 0 0 274.393 2.648 10 30 CFEERN C=CCOc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171572047 335071036 /nfs/dbraw/zinc/07/10/36/335071036.db2.gz QFVFHBUMLPSVDN-LBPRGKRZSA-N 0 0 277.389 2.829 10 30 CFEERN N/C(CCCSc1ccc2c(c1)CCC2)=N\O ZINC000034974392 171909831 /nfs/dbraw/zinc/90/98/31/171909831.db2.gz LBSFCTJSMNIISO-UHFFFAOYSA-N 0 0 250.367 2.794 10 30 CFEERN N#Cc1ccc(NC(=O)c2cc(F)ccc2N)cc1 ZINC000037009687 172868019 /nfs/dbraw/zinc/86/80/19/172868019.db2.gz YFMQKQGBUZJWNB-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN N#Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000037248170 173061071 /nfs/dbraw/zinc/06/10/71/173061071.db2.gz AZMTYIDVTDLVBP-UHFFFAOYSA-N 0 0 285.234 2.858 10 30 CFEERN Cc1cccc(N)c1NC(=O)c1ccc(C#N)cc1 ZINC000037331083 173132302 /nfs/dbraw/zinc/13/23/02/173132302.db2.gz JMVMTDRJHNLION-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN C=CCn1c(C(=O)N2CCOCC2)cc2sc(C)cc21 ZINC000037541311 173263137 /nfs/dbraw/zinc/26/31/37/173263137.db2.gz FWGLNQCMPCWIDG-UHFFFAOYSA-N 0 0 290.388 2.670 10 30 CFEERN CCC(CC)C(=O)Nc1ccc(C)cc1C#CCO ZINC000037549094 173266579 /nfs/dbraw/zinc/26/65/79/173266579.db2.gz BOJJXXHEBNEDDK-UHFFFAOYSA-N 0 0 259.349 2.714 10 30 CFEERN N#C[C@H](Nc1cccc(F)c1)c1ccc(O)c(O)c1 ZINC000037936931 173877683 /nfs/dbraw/zinc/87/76/83/173877683.db2.gz BYKDMVHUXSEKHE-LBPRGKRZSA-N 0 0 258.252 2.914 10 30 CFEERN CC(C)CN[C@@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000037939278 173878674 /nfs/dbraw/zinc/87/86/74/173878674.db2.gz BJZSGPKWFBRHEI-NSHDSACASA-N 0 0 266.728 2.879 10 30 CFEERN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(F)c1 ZINC000038027524 174013951 /nfs/dbraw/zinc/01/39/51/174013951.db2.gz JVGIFNDVBPHWEB-CYBMUJFWSA-N 0 0 276.311 2.527 10 30 CFEERN COc1cc(Br)cc(CC#N)c1OC ZINC000038777614 174154584 /nfs/dbraw/zinc/15/45/84/174154584.db2.gz YEGPNYDFMRHOMH-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN C=CCN(C(=O)c1cc(N)ccc1Cl)C(C)C ZINC000040328999 174238021 /nfs/dbraw/zinc/23/80/21/174238021.db2.gz QXGHBIFNEKAZAC-UHFFFAOYSA-N 0 0 252.745 2.959 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1N ZINC000040331564 174240131 /nfs/dbraw/zinc/24/01/31/174240131.db2.gz QORSVOSOQZNECI-UHFFFAOYSA-N 0 0 288.800 2.507 10 30 CFEERN C=C1C[C@@H](c2ccc(Br)cc2)N(C)C1=O ZINC000040402488 174253623 /nfs/dbraw/zinc/25/36/23/174253623.db2.gz ZLDWGTMFNDYPOX-NSHDSACASA-N 0 0 266.138 2.909 10 30 CFEERN C=CCNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040598909 174349818 /nfs/dbraw/zinc/34/98/18/174349818.db2.gz AJVDVYYAUGMMIR-UHFFFAOYSA-N 0 0 272.264 2.775 10 30 CFEERN C=CCNc1ncnc(Nc2ccccc2OCC)c1N ZINC000040709169 174380598 /nfs/dbraw/zinc/38/05/98/174380598.db2.gz RIFXPMKKHGUHLM-UHFFFAOYSA-N 0 0 285.351 2.799 10 30 CFEERN Cc1nn([C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1C ZINC000040729979 174388141 /nfs/dbraw/zinc/38/81/41/174388141.db2.gz WJCPYAVTGPNPON-CYBMUJFWSA-N 0 0 282.347 2.880 10 30 CFEERN Cc1nn([C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)c1C ZINC000040729976 174388324 /nfs/dbraw/zinc/38/83/24/174388324.db2.gz WJCPYAVTGPNPON-ZDUSSCGKSA-N 0 0 282.347 2.880 10 30 CFEERN N#Cc1cc(N)ccc1Nc1ccc2c(c1)OCO2 ZINC000041020442 174451904 /nfs/dbraw/zinc/45/19/04/174451904.db2.gz PQBSEYMAPIDHJL-UHFFFAOYSA-N 0 0 253.261 2.613 10 30 CFEERN COc1ccc(C(=O)C2=C(C)N3CCN=C3S2)cc1 ZINC000041104958 174480995 /nfs/dbraw/zinc/48/09/95/174480995.db2.gz FBZJTCGULJUIPQ-UHFFFAOYSA-N 0 0 274.345 2.528 10 30 CFEERN C=CC[NH2+][C@](C)(C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000041731423 174620027 /nfs/dbraw/zinc/62/00/27/174620027.db2.gz JNBQJUXQNVMHPS-LBPRGKRZSA-N 0 0 273.254 2.781 10 30 CFEERN Cc1c(C)n(CCOc2ccccc2)c(N)c1C#N ZINC000042255195 174667682 /nfs/dbraw/zinc/66/76/82/174667682.db2.gz YVCYNNPBORPJRT-UHFFFAOYSA-N 0 0 255.321 2.638 10 30 CFEERN CCOc1ccccc1C(=O)N(CCC#N)C1CC1 ZINC000042548772 174788810 /nfs/dbraw/zinc/78/88/10/174788810.db2.gz TXPSLNCRITUXDX-UHFFFAOYSA-N 0 0 258.321 2.604 10 30 CFEERN CC(C)CN(C(=O)c1ccc(C#CCO)s1)C(C)C ZINC000042597905 174815375 /nfs/dbraw/zinc/81/53/75/174815375.db2.gz TZFJQNMEWHYDQC-UHFFFAOYSA-N 0 0 279.405 2.599 10 30 CFEERN OCCC#Cc1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC000043299005 174999756 /nfs/dbraw/zinc/99/97/56/174999756.db2.gz GAWQDRDAJUINLC-UHFFFAOYSA-N 0 0 294.276 2.684 10 30 CFEERN Cc1ccc(C#N)c(Sc2nnnn2C2CCCC2)n1 ZINC000043400744 175036788 /nfs/dbraw/zinc/03/67/88/175036788.db2.gz IEQSUGYZKWGWKV-UHFFFAOYSA-N 0 0 286.364 2.515 10 30 CFEERN COCc1c(Br)cccc1N[C@H](C)C#N ZINC000043515236 175061770 /nfs/dbraw/zinc/06/17/70/175061770.db2.gz QJAQQIAMYFZTKH-MRVPVSSYSA-N 0 0 269.142 2.919 10 30 CFEERN C[C@H](C#N)OC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000043519029 175062152 /nfs/dbraw/zinc/06/21/52/175062152.db2.gz OZYKOFKBBHISOW-RXMQYKEDSA-N 0 0 259.092 2.644 10 30 CFEERN C=CCN(C(=O)c1ccc(N)cc1F)C1CCCC1 ZINC000043571465 175068984 /nfs/dbraw/zinc/06/89/84/175068984.db2.gz KMOCQGXQFMFGRB-UHFFFAOYSA-N 0 0 262.328 2.979 10 30 CFEERN CC[C@@H]1CCCCN1C(=O)c1ccc(C#CCO)c(F)c1 ZINC000043582126 175069802 /nfs/dbraw/zinc/06/98/02/175069802.db2.gz CXSGWRGVXOPTSF-OAHLLOKOSA-N 0 0 289.350 2.574 10 30 CFEERN O=C(NC1CCCCCC1)c1ccc(C#CCO)c(F)c1 ZINC000043582049 175070094 /nfs/dbraw/zinc/07/00/94/175070094.db2.gz HJVMFILTLYRLGI-UHFFFAOYSA-N 0 0 289.350 2.622 10 30 CFEERN CN(Cc1sccc1C#CCO)Cc1ccccc1F ZINC000043678357 175088830 /nfs/dbraw/zinc/08/88/30/175088830.db2.gz WSLAYYSTSMTHPL-UHFFFAOYSA-N 0 0 289.375 2.863 10 30 CFEERN CN(Cc1sccc1C#CCCO)Cc1ccncc1 ZINC000043677891 175089277 /nfs/dbraw/zinc/08/92/77/175089277.db2.gz FODTZOPDALUJST-UHFFFAOYSA-N 0 0 286.400 2.509 10 30 CFEERN OCC#Cc1ccc(CN2CCc3ccccc32)s1 ZINC000043679181 175089523 /nfs/dbraw/zinc/08/95/23/175089523.db2.gz MACQWSLCTPJLJR-UHFFFAOYSA-N 0 0 269.369 2.655 10 30 CFEERN N#Cc1cccc(OCc2sccc2C#CCCO)c1 ZINC000043682623 175091310 /nfs/dbraw/zinc/09/13/10/175091310.db2.gz MMZUOTALNYBNHF-UHFFFAOYSA-N 0 0 283.352 2.933 10 30 CFEERN Cc1nn(Cc2cc(C#CCCO)cs2)c(C)c1C ZINC000043698907 175096942 /nfs/dbraw/zinc/09/69/42/175096942.db2.gz YQMKPRGOHMUJAO-UHFFFAOYSA-N 0 0 274.389 2.652 10 30 CFEERN OCCC#Cc1csc(Cn2cnc3ccccc32)c1 ZINC000043698867 175096944 /nfs/dbraw/zinc/09/69/44/175096944.db2.gz FCJJFKCXLFFRPT-UHFFFAOYSA-N 0 0 282.368 2.880 10 30 CFEERN C[C@@H](C#N)N(C)CCOc1ccc(Br)cc1 ZINC000044287116 175159451 /nfs/dbraw/zinc/15/94/51/175159451.db2.gz KLTRITJPCSCQDM-JTQLQIEISA-N 0 0 283.169 2.672 10 30 CFEERN CCN(CCC#N)c1c(C#N)cnc2ccccc21 ZINC000044413383 175172315 /nfs/dbraw/zinc/17/23/15/175172315.db2.gz BBBFCZISGIEKOK-UHFFFAOYSA-N 0 0 250.305 2.846 10 30 CFEERN N#Cc1cccc(C[N@@H+]2CCc3sccc3[C@@H]2C(=O)[O-])c1 ZINC000044592261 175213397 /nfs/dbraw/zinc/21/33/97/175213397.db2.gz KQPRKURBJMTLRN-OAHLLOKOSA-N 0 0 298.367 2.804 10 30 CFEERN C=CCN(C1CCCC1)S(=O)(=O)c1c(N)cccc1F ZINC000045147905 175317625 /nfs/dbraw/zinc/31/76/25/175317625.db2.gz VWXJTMKGKASUMB-UHFFFAOYSA-N 0 0 298.383 2.527 10 30 CFEERN N#Cc1cccc(Cn2cc(C(F)(F)F)cn2)c1 ZINC000070466648 175946711 /nfs/dbraw/zinc/94/67/11/175946711.db2.gz ZESLHJBAZJPHAT-UHFFFAOYSA-N 0 0 251.211 2.822 10 30 CFEERN C=C(C)CC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000071571938 176197759 /nfs/dbraw/zinc/19/77/59/176197759.db2.gz APNOQJJGWFMKNR-UHFFFAOYSA-N 0 0 250.294 2.861 10 30 CFEERN Cc1ccc2c(c1)[C@@H](C#N)N(CCc1nccs1)C2=O ZINC000071678083 176242810 /nfs/dbraw/zinc/24/28/10/176242810.db2.gz LCOGOPSDPFANDQ-CYBMUJFWSA-N 0 0 283.356 2.715 10 30 CFEERN CSc1ccc(Oc2cc(/C(N)=N/O)ccn2)cc1 ZINC000072181152 176334628 /nfs/dbraw/zinc/33/46/28/176334628.db2.gz KANOOFKXDIPSOX-UHFFFAOYSA-N 0 0 275.333 2.690 10 30 CFEERN CC[C@@H](C)CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077302402 177250393 /nfs/dbraw/zinc/25/03/93/177250393.db2.gz DNNWUTZYPFHFCR-LQGZHCLWSA-N 0 0 266.257 2.947 10 30 in-vitro CFEERN CC(=O)O[C@@H](C#N)c1ccccc1Br ZINC000077607555 177284249 /nfs/dbraw/zinc/28/42/49/177284249.db2.gz JRWWYTDWDOIONY-JTQLQIEISA-N 0 0 254.083 2.577 10 30 CFEERN CC[C@@H]1CCC(=O)N(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000079225920 177450282 /nfs/dbraw/zinc/45/02/82/177450282.db2.gz QHDAQFLDNITKLQ-CYBMUJFWSA-N 0 0 284.359 2.780 10 30 CFEERN CC[C@H]1CCC(=O)N(CCOc2cccc(C#N)c2)CC1 ZINC000079225560 177450511 /nfs/dbraw/zinc/45/05/11/177450511.db2.gz FYLCRFWDQGUBLQ-AWEZNQCLSA-N 0 0 286.375 2.976 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000334631844 225171727 /nfs/dbraw/zinc/17/17/27/225171727.db2.gz WMSRCYGMRHDCBZ-XCBNKYQSSA-N 0 0 268.238 2.526 10 30 CFEERN C[C@]1(CNC(=O)C[C@H]2CCCCNC2=O)CCOC1 ZINC000329258066 227388903 /nfs/dbraw/zinc/38/89/03/227388903.db2.gz CELZVWSKFKETDM-BXUZGUMPSA-N 0 0 268.357 2.516 10 30 CFEERN O=C(C[C@@H]1CCCCNC1=O)NCc1noc(C2CC2)n1 ZINC000329531240 227579339 /nfs/dbraw/zinc/57/93/39/227579339.db2.gz JFNBZNYOPYKZCY-JTQLQIEISA-N 0 0 292.339 2.550 10 30 CFEERN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1OC[C@@H]2COCC[C@H]12 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C[C@H](C#N)NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000235175916 260242087 /nfs/dbraw/zinc/24/20/87/260242087.db2.gz GMDUMZHPPUQXPN-MRVPVSSYSA-N 0 0 259.696 2.530 10 30 CFEERN COc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)cc1OC ZINC000112531116 260662077 /nfs/dbraw/zinc/66/20/77/260662077.db2.gz ZHUGDJOJHLURDF-CHWSQXEVSA-N 0 0 287.363 2.798 10 30 CFEERN C[C@@H](C#N)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000109452323 261394518 /nfs/dbraw/zinc/39/45/18/261394518.db2.gz UZMUZNQTNOFKTL-NSHDSACASA-N 0 0 281.762 2.509 10 30 CFEERN CCc1ccc(CN2CCN(C(C)(C)C#N)CC2)s1 ZINC000109459751 261395167 /nfs/dbraw/zinc/39/51/67/261395167.db2.gz BJAMXEZISIZROW-UHFFFAOYSA-N 0 0 277.437 2.730 10 30 CFEERN CC[C@@H](C#N)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188886094 262163607 /nfs/dbraw/zinc/16/36/07/262163607.db2.gz QQXNDVXFKGDAQQ-ZETCQYMHSA-N 0 0 294.767 2.824 10 30 CFEERN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1O ZINC000188512451 262305171 /nfs/dbraw/zinc/30/51/71/262305171.db2.gz IDICZAIHBUHBSF-ZDUSSCGKSA-N 0 0 282.299 2.834 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000061888590 262405270 /nfs/dbraw/zinc/40/52/70/262405270.db2.gz MKMMPBJLASCBJT-JSGCOSHPSA-N 0 0 265.316 2.657 10 30 CFEERN O=C(C[C@@H]1CCCCC(=O)N1)NCC1(CCO)CCC1 ZINC000328651723 263833135 /nfs/dbraw/zinc/83/31/35/263833135.db2.gz JSFCPPMHVVUTKK-LBPRGKRZSA-N 0 0 282.384 2.785 10 30 CFEERN O=C(N[C@@H]1CCC(=O)NC1)c1cccc2c1CCC2 ZINC000328719783 263839074 /nfs/dbraw/zinc/83/90/74/263839074.db2.gz GLFYNTCVOQIYLW-LLVKDONJSA-N 0 0 258.321 2.599 10 30 CFEERN C[C@@H]1CCc2nc(NC(=O)NC3CCOCC3)sc2C1 ZINC000328835369 263876904 /nfs/dbraw/zinc/87/69/04/263876904.db2.gz XARLKFRMQMKIOH-SECBINFHSA-N 0 0 295.408 2.773 10 30 CFEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000129549750 264323671 /nfs/dbraw/zinc/32/36/71/264323671.db2.gz VOIYAYYKSPFBHO-LBPRGKRZSA-N 0 0 267.394 2.806 10 30 CFEERN C=CCCS(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119497028 267338451 /nfs/dbraw/zinc/33/84/51/267338451.db2.gz MIVYOXGGSZZFRV-NXEZZACHSA-N 0 0 285.331 2.603 10 30 CFEERN C=CC[C@H](CC)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000376419405 267975115 /nfs/dbraw/zinc/97/51/15/267975115.db2.gz ZMMGBYYHVBINSF-IJEWVQPXSA-N 0 0 280.412 2.678 10 30 CFEERN N#Cc1ccc(Cl)cc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399093202 268100725 /nfs/dbraw/zinc/10/07/25/268100725.db2.gz XJJYMHZRDQJIMS-SGMGOOAPSA-N 0 0 276.767 2.809 10 30 CFEERN N#Cc1ccc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1Cl ZINC000399067782 268127862 /nfs/dbraw/zinc/12/78/62/268127862.db2.gz PRXKRZPHGTXEFY-OUCADQQQSA-N 0 0 276.767 2.809 10 30 CFEERN C=CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000156632173 276901704 /nfs/dbraw/zinc/90/17/04/276901704.db2.gz XBPGXYNOJDOEJC-GFCCVEGCSA-N 0 0 260.337 2.774 10 30 CFEERN CC(=NO)[C@H]1COc2ccc(Br)cc21 ZINC000242495122 276932736 /nfs/dbraw/zinc/93/27/36/276932736.db2.gz FVMGXZXVZKQJRJ-SECBINFHSA-N 0 0 256.099 2.775 10 30 CFEERN CN1c2ccccc2C(=O)C(=CNc2ccccc2)C1=O ZINC000100422213 277217262 /nfs/dbraw/zinc/21/72/62/277217262.db2.gz COXZQGYYWPNXKI-SDNWHVSQSA-N 0 0 278.311 2.842 10 30 CFEERN C[C@@]1(O)CC(=O)C=C(c2ccccc2Br)C1 ZINC000040174878 278128029 /nfs/dbraw/zinc/12/80/29/278128029.db2.gz AMKDNUWTIOHCAG-ZDUSSCGKSA-N 0 0 281.149 2.946 10 30 CFEERN CC(C)(C#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334636706 278259503 /nfs/dbraw/zinc/25/95/03/278259503.db2.gz AGKIQCSKUPNNKI-LLVKDONJSA-N 0 0 290.329 2.970 10 30 CFEERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(C#N)cc1 ZINC000173624954 278365978 /nfs/dbraw/zinc/36/59/78/278365978.db2.gz JYRIPQYWYUPZGF-OLZOCXBDSA-N 0 0 295.390 2.898 10 30 CFEERN N#Cc1ccc(/N=c2/ssnc2Cl)cc1 ZINC000100404639 279509625 /nfs/dbraw/zinc/50/96/25/279509625.db2.gz UGVDRCWEAQHZQX-FMIVXFBMSA-N 0 0 253.739 2.962 10 30 CFEERN C[C@H]1OCC[C@@H]1Nc1ccc(Br)cc1C#N ZINC000134217442 280060655 /nfs/dbraw/zinc/06/06/55/280060655.db2.gz WCVIUFZHZGHNQR-KCJUWKMLSA-N 0 0 281.153 2.910 10 30 CFEERN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302751054 280255253 /nfs/dbraw/zinc/25/52/53/280255253.db2.gz VIIGLISWWNBABN-SNVBAGLBSA-N 0 0 260.297 2.630 10 30 CFEERN S=C(N/N=C/c1cccs1)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322246 280458731 /nfs/dbraw/zinc/45/87/31/280458731.db2.gz TVHNQUQTSHYCFQ-PKVQKYKBSA-N 0 0 277.418 2.511 10 30 CFEERN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(Cl)c1C#N ZINC000033376776 280583123 /nfs/dbraw/zinc/58/31/23/280583123.db2.gz RFUFJPWPYRARHR-AOOOYVTPSA-N 0 0 265.744 2.529 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)C2 ZINC000181333440 281113415 /nfs/dbraw/zinc/11/34/15/281113415.db2.gz TWLPLPRQKVVPER-BDJLRTHQSA-N 0 0 279.343 2.858 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)O1 ZINC000153279303 289864685 /nfs/dbraw/zinc/86/46/85/289864685.db2.gz TUTHREPSJNKOAK-PELKAZGASA-N 0 0 264.712 2.718 10 30 CFEERN Cc1cc(N2CCSC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000302717553 301340539 /nfs/dbraw/zinc/34/05/39/301340539.db2.gz KAQQGIWTYFHECW-JTQLQIEISA-N 0 0 261.394 2.759 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000168119309 303186190 /nfs/dbraw/zinc/18/61/90/303186190.db2.gz RHCAWUIFILEAMZ-GJZGRUSLSA-N 0 0 287.319 2.614 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1ncc(Br)s1 ZINC000308848022 327788617 /nfs/dbraw/zinc/78/86/17/327788617.db2.gz QCLXIPJJHVTYNR-SFYZADRCSA-N 0 0 286.198 2.687 10 30 CFEERN N#CC1(C(=O)N2CC[C@H](Oc3ccncc3)C2)CCCCC1 ZINC000121393980 328375645 /nfs/dbraw/zinc/37/56/45/328375645.db2.gz HTICDNWCHJPPMB-HNNXBMFYSA-N 0 0 299.374 2.535 10 30 CFEERN C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)O1 ZINC000178289563 323714950 /nfs/dbraw/zinc/71/49/50/323714950.db2.gz WFYCKSZKRALGMI-KWQFWETISA-N 0 0 276.361 2.614 10 30 CFEERN N#CCCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172121051 329081456 /nfs/dbraw/zinc/08/14/56/329081456.db2.gz WUENXZCWTIAKKA-LBPRGKRZSA-N 0 0 261.325 2.820 10 30 CFEERN C=C(C)CS(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000184343603 329259251 /nfs/dbraw/zinc/25/92/51/329259251.db2.gz SEDLKLZTRZBBGL-ZJUUUORDSA-N 0 0 285.331 2.603 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000185879959 329334460 /nfs/dbraw/zinc/33/44/60/329334460.db2.gz FMIKGNLLDLLZPO-SQWLQELKSA-N 0 0 265.397 2.742 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000062709001 329345537 /nfs/dbraw/zinc/34/55/37/329345537.db2.gz WZPUFRFMKYVASD-CABZTGNLSA-N 0 0 254.255 2.886 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000062708995 329345603 /nfs/dbraw/zinc/34/56/03/329345603.db2.gz WZPUFRFMKYVASD-BXKDBHETSA-N 0 0 254.255 2.886 10 30 CFEERN C=C(C)COCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000134992834 329662282 /nfs/dbraw/zinc/66/22/82/329662282.db2.gz PPLWOKRESSTCOU-NSHDSACASA-N 0 0 298.333 2.918 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000061888491 329681440 /nfs/dbraw/zinc/68/14/40/329681440.db2.gz OMWGFIZQNFTIND-DGCLKSJQSA-N 0 0 262.740 2.691 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248614326 329895756 /nfs/dbraw/zinc/89/57/56/329895756.db2.gz HWSGLHVUQWJQTL-MJBXVCDLSA-N 0 0 251.370 2.759 10 30 CFEERN C[C@H]1[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]1C=O ZINC000536956018 330383183 /nfs/dbraw/zinc/38/31/83/330383183.db2.gz WXADLARSPKPTBW-FVCCEPFGSA-N 0 0 267.369 2.715 10 30 CFEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)OCCCC#N)C1 ZINC000174220808 332994342 /nfs/dbraw/zinc/99/43/42/332994342.db2.gz NDGMOUKXULJNSM-RYUDHWBXSA-N 0 0 296.367 2.527 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000225123747 333231411 /nfs/dbraw/zinc/23/14/11/333231411.db2.gz SNCBYQIXOBLSOQ-WPRPVWTQSA-N 0 0 283.253 2.522 10 30 CFEERN C=C[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000249337293 334332095 /nfs/dbraw/zinc/33/20/95/334332095.db2.gz ILKUYCITUFZLHY-QJPTWQEYSA-N 0 0 283.368 2.798 10 30 CFEERN CCN[C@](C)(C#N)CCOc1cc(F)cc(F)c1 ZINC000054933872 520225354 /nfs/dbraw/zinc/22/53/54/520225354.db2.gz IPHNITIGFQINEX-ZDUSSCGKSA-N 0 0 254.280 2.625 10 30 CFEERN CCCC[C@@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000050889574 521006914 /nfs/dbraw/zinc/00/69/14/521006914.db2.gz WDGCYVQLFPCOHE-GFCCVEGCSA-N 0 0 280.393 2.556 10 30 CFEERN CCCN(c1cc(Cl)ccc1/C(N)=N/O)C1CC1 ZINC000062789340 521697254 /nfs/dbraw/zinc/69/72/54/521697254.db2.gz JIXHYAFPLIWXNU-UHFFFAOYSA-N 0 0 267.760 2.813 10 30 CFEERN C[C@@H]1OCC[C@]1(O)CNC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC000329084127 534206208 /nfs/dbraw/zinc/20/62/08/534206208.db2.gz FODGZCWTHNFWBD-QEWYBTABSA-N 0 0 289.375 2.677 10 30 CFEERN C/C(=N\O)c1cc(C)ccc1OCCOC(C)C ZINC000049259774 518468030 /nfs/dbraw/zinc/46/80/30/518468030.db2.gz BCQALFARCPHTJE-NTCAYCPXSA-N 0 0 251.326 2.997 10 30 CFEERN C=C1C(=O)O[C@@H]2C(=O)O[C@@H](CCCCCCCC)[C@H]12 ZINC000085745179 518657458 /nfs/dbraw/zinc/65/74/58/518657458.db2.gz GSTQYRQXFPSWSH-AVGNSLFASA-N 0 0 266.337 2.760 10 30 CFEERN C=CCCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000049510265 518695777 /nfs/dbraw/zinc/69/57/77/518695777.db2.gz SXMPTLRLDDVKNG-UHFFFAOYSA-N 0 0 286.375 2.756 10 30 CFEERN C=CCN[C@@](C)(C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC000051961237 518959101 /nfs/dbraw/zinc/95/91/01/518959101.db2.gz BWTZIQYQKQFFPV-CYBMUJFWSA-N 0 0 287.281 2.869 10 30 CFEERN C=CCN[C@@H](C#N)c1cc(Br)cs1 ZINC000051960303 518959878 /nfs/dbraw/zinc/95/98/78/518959878.db2.gz YOJVVNCQTSBEGJ-QMMMGPOBSA-N 0 0 257.156 2.851 10 30 CFEERN C=CCc1ccccc1OCC(=O)N[C@@H](C(C)=O)C(C)C ZINC000050161763 519143425 /nfs/dbraw/zinc/14/34/25/519143425.db2.gz SEWKCAFYONLNTR-QGZVFWFLSA-N 0 0 289.375 2.524 10 30 CFEERN CC(C)CCC(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000049588417 519636727 /nfs/dbraw/zinc/63/67/27/519636727.db2.gz HJNIRXREEAKRHA-CQSZACIVSA-N 0 0 273.376 2.644 10 30 CFEERN CC(C)CC[C@H](C)NC(=O)c1ccccc1C#CCCO ZINC000069235751 519691519 /nfs/dbraw/zinc/69/15/19/519691519.db2.gz YIVMCYHSHKVFLP-HNNXBMFYSA-N 0 0 287.403 2.975 10 30 CFEERN CC(C)COCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052456629 519755144 /nfs/dbraw/zinc/75/51/44/519755144.db2.gz FRKRZUSNSGLBAI-UHFFFAOYSA-N 0 0 263.297 2.551 10 30 CFEERN CCC1CCC(C#N)(N2C(=O)CC(C)CC2=O)CC1 ZINC000061828791 519850026 /nfs/dbraw/zinc/85/00/26/519850026.db2.gz DPIMUCQLWMYSJQ-UHFFFAOYSA-N 0 0 262.353 2.634 10 30 CFEERN CCC[C@H](CC)NC(=O)c1ccc(C#CCCO)cc1F ZINC000050398550 521081048 /nfs/dbraw/zinc/08/10/48/521081048.db2.gz PGRRVCXMICFSTR-AWEZNQCLSA-N 0 0 291.366 2.868 10 30 CFEERN CCN(CC[C@H](C#N)NC1CC1)c1cccc(C)c1 ZINC000062435524 521157240 /nfs/dbraw/zinc/15/72/40/521157240.db2.gz OITIRSQCXBJIPK-OAHLLOKOSA-N 0 0 257.381 2.856 10 30 CFEERN CCOC(=O)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049375490 521214293 /nfs/dbraw/zinc/21/42/93/521214293.db2.gz FTWLGDAPFPCFIW-QMMMGPOBSA-N 0 0 286.253 2.941 10 30 CFEERN CCC(C#N)(CC)NC(=O)CC[C@@H]1CCCCO1 ZINC000069393904 521263080 /nfs/dbraw/zinc/26/30/80/521263080.db2.gz RGRCSTIRPSCSTI-LBPRGKRZSA-N 0 0 252.358 2.534 10 30 CFEERN CCC(C)(C)N(C)C(=O)c1ccc(C#CCCO)s1 ZINC000069461376 521297024 /nfs/dbraw/zinc/29/70/24/521297024.db2.gz ZZQARVVZWQKIMH-UHFFFAOYSA-N 0 0 279.405 2.743 10 30 CFEERN CCN(Cc1ccccc1N)c1ccnc(C#N)c1 ZINC000061812620 521382316 /nfs/dbraw/zinc/38/23/16/521382316.db2.gz ZWORPEIJIINQHB-UHFFFAOYSA-N 0 0 252.321 2.562 10 30 CFEERN CCOc1cccc(OCc2cccnc2C#N)c1 ZINC000061664971 521404173 /nfs/dbraw/zinc/40/41/73/521404173.db2.gz JGBVNGNHSMVTAW-UHFFFAOYSA-N 0 0 254.289 2.931 10 30 CFEERN CCCn1c(Sc2cc(Cl)ccc2C#N)n[nH]c1=O ZINC000062790326 521635555 /nfs/dbraw/zinc/63/55/55/521635555.db2.gz CITJXOBUBQQLPP-UHFFFAOYSA-N 0 0 294.767 2.658 10 30 CFEERN CCCN(Cc1nnc(CC)n1C)Cc1ccc(C#N)cc1 ZINC000195080572 521695984 /nfs/dbraw/zinc/69/59/84/521695984.db2.gz SWMQJDRUIMHZQK-UHFFFAOYSA-N 0 0 297.406 2.661 10 30 CFEERN CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1C#CCCO ZINC000049105373 521817101 /nfs/dbraw/zinc/81/71/01/521817101.db2.gz LNQRGYSNJGKPLP-UONOGXRCSA-N 0 0 273.376 2.585 10 30 CFEERN CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000049589671 521919789 /nfs/dbraw/zinc/91/97/89/521919789.db2.gz MMBPTLAQKYSNOO-KGLIPLIRSA-N 0 0 273.376 2.644 10 30 CFEERN COC(=O)c1ccc(CNc2ccc(C#N)cc2F)o1 ZINC000083604615 522041012 /nfs/dbraw/zinc/04/10/12/522041012.db2.gz AVHTUNLRGMWTOW-UHFFFAOYSA-N 0 0 274.251 2.689 10 30 CFEERN CC[C@H](NC(=O)c1ccc(F)cc1C#CCCO)C(C)C ZINC000049148484 522533993 /nfs/dbraw/zinc/53/39/93/522533993.db2.gz HWBFCONLESZGKV-INIZCTEOSA-N 0 0 291.366 2.724 10 30 CFEERN CCc1nccn1[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000161295429 522592932 /nfs/dbraw/zinc/59/29/32/522592932.db2.gz TXOOKNNZJHLEPV-OAHLLOKOSA-N 0 0 295.390 2.862 10 30 CFEERN CNc1ccnc(C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000050746604 522669062 /nfs/dbraw/zinc/66/90/62/522669062.db2.gz ZNUGYCPXSGQNAN-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CCc1nnc(NCCC2=CCOCC2)c(C#N)c1CC ZINC000158153526 522777055 /nfs/dbraw/zinc/77/70/55/522777055.db2.gz CNSCAHPHJYVLIW-UHFFFAOYSA-N 0 0 286.379 2.622 10 30 CFEERN COC(=O)CCSc1ccc(C#N)cc1Cl ZINC000062794184 523108798 /nfs/dbraw/zinc/10/87/98/523108798.db2.gz RFWMLKOTQNNSKM-UHFFFAOYSA-N 0 0 255.726 2.867 10 30 CFEERN CN(Cc1ccc(C#CCO)s1)c1ccccc1F ZINC000050006678 523206420 /nfs/dbraw/zinc/20/64/20/523206420.db2.gz IVPXLZFYKZGNII-UHFFFAOYSA-N 0 0 275.348 2.867 10 30 CFEERN CC[C@@H]1CCCC[C@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813943 523227668 /nfs/dbraw/zinc/22/76/68/523227668.db2.gz UBHZVAVDCGHELQ-ZWNOBZJWSA-N 0 0 263.341 2.524 10 30 CFEERN CC[C@H]1CSC(Nc2cccc(COC)c2)=N1 ZINC000049510520 523354345 /nfs/dbraw/zinc/35/43/45/523354345.db2.gz PSWRESRQMIYGPR-NSHDSACASA-N 0 0 250.367 2.936 10 30 CFEERN CC[C@H](C)C(=O)N[C@H](C)c1ccc(C#CCCO)cc1 ZINC000049589490 523836006 /nfs/dbraw/zinc/83/60/06/523836006.db2.gz BFQCWYZNYKDKRM-UONOGXRCSA-N 0 0 273.376 2.644 10 30 CFEERN CC[C@H](C)N(C)c1ccc(/C(N)=N/O)cc1Cl ZINC000062794441 523924830 /nfs/dbraw/zinc/92/48/30/523924830.db2.gz WOMRPLNRJCSETP-QMMMGPOBSA-N 0 0 255.749 2.669 10 30 CFEERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(C#N)ccc1C ZINC000050430324 523986158 /nfs/dbraw/zinc/98/61/58/523986158.db2.gz FCKMTTYJWGXHPU-NWDGAFQWSA-N 0 0 259.353 2.582 10 30 CFEERN Cc1cc(C)nc(SCc2ccc(C#CCO)cc2)n1 ZINC000051608087 524600522 /nfs/dbraw/zinc/60/05/22/524600522.db2.gz HKROXVWXKLJDFB-UHFFFAOYSA-N 0 0 284.384 2.730 10 30 CFEERN C[C@H](Cn1cccn1)Nc1cccc(Cl)c1C#N ZINC000052904209 524781814 /nfs/dbraw/zinc/78/18/14/524781814.db2.gz PIMSVZNNOZGRPQ-SNVBAGLBSA-N 0 0 260.728 2.909 10 30 CFEERN C[C@@H](NC(=O)C1CCCC1)c1ccc(C#CCCO)cc1 ZINC000049589464 525067805 /nfs/dbraw/zinc/06/78/05/525067805.db2.gz XIIOOEHJFKUYAD-CQSZACIVSA-N 0 0 285.387 2.788 10 30 CFEERN C[C@@H](NC(=O)c1ccco1)c1cccc(C#CCCO)c1 ZINC000049589646 525357559 /nfs/dbraw/zinc/35/75/59/525357559.db2.gz ZFDWLUOPSCRZRW-CYBMUJFWSA-N 0 0 283.327 2.505 10 30 CFEERN Cc1ccnc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000051331568 525708703 /nfs/dbraw/zinc/70/87/03/525708703.db2.gz GXPNYYFCYPGIKR-NSHDSACASA-N 0 0 298.371 2.776 10 30 CFEERN C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])c1ccco1 ZINC000167487355 525730758 /nfs/dbraw/zinc/73/07/58/525730758.db2.gz YLTNVXJDZUKUKC-MRVPVSSYSA-N 0 0 258.237 2.628 10 30 CFEERN Cc1ccsc1C(=O)NCc1ccc(C#CCCO)cc1 ZINC000049589161 525823027 /nfs/dbraw/zinc/82/30/27/525823027.db2.gz JTBRPBJVDFVESM-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN C[C@@H](O)c1nc2cc(N)ccc2n1-c1ccc(C#N)cc1 ZINC000053735838 525880778 /nfs/dbraw/zinc/88/07/78/525880778.db2.gz CRETUGLYSIJGSD-SNVBAGLBSA-N 0 0 278.315 2.533 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1ccccc1N ZINC000050428723 526005520 /nfs/dbraw/zinc/00/55/20/526005520.db2.gz QSXUQCGOJBEHDC-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN Cc1cnc(Sc2cccc(Cl)c2/C(N)=N/O)nc1 ZINC000052908163 526102764 /nfs/dbraw/zinc/10/27/64/526102764.db2.gz IYKIQBUPDMEFCI-UHFFFAOYSA-N 0 0 294.767 2.684 10 30 CFEERN C[C@H]1CCCCN1c1cccc(Cl)c1/C(N)=N/O ZINC000052903975 526252431 /nfs/dbraw/zinc/25/24/31/526252431.db2.gz AJBZKHVLUCKRLE-VIFPVBQESA-N 0 0 267.760 2.813 10 30 CFEERN Cc1nn(Cc2ccccc2C#CCCO)c(C)c1Cl ZINC000050587903 526296226 /nfs/dbraw/zinc/29/62/26/526296226.db2.gz OJDKZRAOZDQSBN-UHFFFAOYSA-N 0 0 288.778 2.936 10 30 CFEERN C=C(Br)CN1CCC(Cn2cccn2)CC1 ZINC000105920067 526425572 /nfs/dbraw/zinc/42/55/72/526425572.db2.gz MOXNZYHBBYJATM-UHFFFAOYSA-N 0 0 284.201 2.504 10 30 CFEERN N#C[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1 ZINC000069393928 526495615 /nfs/dbraw/zinc/49/56/15/526495615.db2.gz FAXMOBWYPNXPRA-HUUCEWRRSA-N 0 0 272.348 2.717 10 30 CFEERN N#Cc1cc(N)ccc1NC[C@@H]1Cc2ccccc2O1 ZINC000051086736 526563943 /nfs/dbraw/zinc/56/39/43/526563943.db2.gz UABHVRXJTHPVIA-AWEZNQCLSA-N 0 0 265.316 2.556 10 30 CFEERN Cc1nc(C(=O)N(C)Cc2cccc(C#N)c2)cs1 ZINC000049308256 526635113 /nfs/dbraw/zinc/63/51/13/526635113.db2.gz RKGVFKNCEOXRMV-UHFFFAOYSA-N 0 0 271.345 2.595 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCC(c2cc[nH]n2)CC1 ZINC000159218065 526640120 /nfs/dbraw/zinc/64/01/20/526640120.db2.gz IYZBAXPSOAWZPG-UHFFFAOYSA-N 0 0 284.338 2.800 10 30 CFEERN N#Cc1ccc(NC(=O)c2cc(Cl)ccc2NN)cc1 ZINC000051096639 526657607 /nfs/dbraw/zinc/65/76/07/526657607.db2.gz YSEZNKBHOFSOJJ-UHFFFAOYSA-N 0 0 286.722 2.750 10 30 CFEERN O=C(c1ccc(C#CCCO)s1)N1Cc2ccccc2C1 ZINC000050913628 526663610 /nfs/dbraw/zinc/66/36/10/526663610.db2.gz KZSOSKOJLRHZFL-UHFFFAOYSA-N 0 0 297.379 2.638 10 30 CFEERN N#Cc1cccc(NC(=O)c2cc(Cl)ccc2NN)c1 ZINC000051096375 526722184 /nfs/dbraw/zinc/72/21/84/526722184.db2.gz GZNGNVBVPZXGAP-UHFFFAOYSA-N 0 0 286.722 2.750 10 30 CFEERN N#Cc1ccnc(Oc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000052065060 526762835 /nfs/dbraw/zinc/76/28/35/526762835.db2.gz PKRLLGQJNSPWFX-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#Cc1ncccc1CNc1cc(F)cc(F)c1F ZINC000061658950 526790197 /nfs/dbraw/zinc/79/01/97/526790197.db2.gz MIVBVYOJNQVLLL-UHFFFAOYSA-N 0 0 263.222 2.983 10 30 CFEERN N/C(=N/O)c1cc(Oc2cccc(Cl)c2)ccn1 ZINC000061813902 526801697 /nfs/dbraw/zinc/80/16/97/526801697.db2.gz VPMIOSSCKDAQTC-UHFFFAOYSA-N 0 0 263.684 2.622 10 30 CFEERN N/C(=N/O)c1c(Cl)cccc1Sc1ccccn1 ZINC000052907876 526801994 /nfs/dbraw/zinc/80/19/94/526801994.db2.gz GCJXCEUOSZUUON-UHFFFAOYSA-N 0 0 279.752 2.981 10 30 CFEERN N/C(=N/O)c1cc(Sc2cc(F)ccc2F)ccn1 ZINC000061814416 526802363 /nfs/dbraw/zinc/80/23/63/526802363.db2.gz JSNNDAMGHLLTRH-UHFFFAOYSA-N 0 0 281.287 2.606 10 30 CFEERN C=CCO[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000302142949 526820015 /nfs/dbraw/zinc/82/00/15/526820015.db2.gz JWGHMQVTPZNFIX-SNVBAGLBSA-N 0 0 296.298 2.524 10 30 CFEERN Cc1nc(N[C@H]2COc3ccccc32)ccc1C#N ZINC000311617122 527002853 /nfs/dbraw/zinc/00/28/53/527002853.db2.gz KZPPTAMCOQIBIK-ZDUSSCGKSA-N 0 0 251.289 2.807 10 30 CFEERN O=C(Nc1nc(C2CC2)cs1)c1ccccc1C#CCO ZINC000049239518 527506346 /nfs/dbraw/zinc/50/63/46/527506346.db2.gz LHARTCHNLRXDEK-UHFFFAOYSA-N 0 0 298.367 2.617 10 30 CFEERN OCC#Cc1cc(CN2CCc3ccccc32)ccc1F ZINC000049616599 527517452 /nfs/dbraw/zinc/51/74/52/527517452.db2.gz CKAHRZJCKOQIQV-UHFFFAOYSA-N 0 0 281.330 2.732 10 30 CFEERN OCC#Cc1cccc(COc2ccc(F)cc2F)c1 ZINC000049620040 527519481 /nfs/dbraw/zinc/51/94/81/527519481.db2.gz JYIAOXPGRWDSEQ-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCCC#Cc1cccc(CSC2CCOCC2)c1 ZINC000062056157 527531236 /nfs/dbraw/zinc/53/12/36/527531236.db2.gz LGHMENQPTPUOCM-UHFFFAOYSA-N 0 0 276.401 2.833 10 30 CFEERN CC(C)C(=O)SCC[C@@H](S)CCCCC(N)=O ZINC000004654636 571687109 /nfs/dbraw/zinc/68/71/09/571687109.db2.gz UEFURMXXHJCLJP-JTQLQIEISA-N 0 0 277.455 2.636 10 30 endogenous,in-man CFEERN CC(C)=CC(=O)C[C@@](C)(O)CCC(=O)c1ccoc1 ZINC000013374014 571698955 /nfs/dbraw/zinc/69/89/55/571698955.db2.gz GENURIBYATWERM-HNNXBMFYSA-N 0 0 264.321 2.919 10 30 endogenous,in-man CFEERN C[C@H](NC(=O)C#Cc1ccccc1)c1cccs1 ZINC000175935722 617654659 /nfs/dbraw/zinc/65/46/59/617654659.db2.gz WBKTZPAGWJTDDW-LBPRGKRZSA-N 0 0 255.342 2.977 10 30 CFEERN N#CCSCC(=O)O[C@H]1CCCc2ccccc21 ZINC000066522424 618620781 /nfs/dbraw/zinc/62/07/81/618620781.db2.gz VGDPGGSHDYIAGJ-ZDUSSCGKSA-N 0 0 261.346 2.864 10 30 CFEERN N#Cc1sc(N[C@@H]2CCC[C@@H]2C#N)nc1Cl ZINC000309504251 618891452 /nfs/dbraw/zinc/89/14/52/618891452.db2.gz MOJMPQWBJDDYAJ-RNFRBKRXSA-N 0 0 252.730 2.772 10 30 CFEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000313467416 618989934 /nfs/dbraw/zinc/98/99/34/618989934.db2.gz PDBZTVVLVDHZIA-UONOGXRCSA-N 0 0 258.321 2.506 10 30 CFEERN CCCCCCCCOCC(=O)N[C@H]1CCCC[C@H]1O ZINC000152086173 620000582 /nfs/dbraw/zinc/00/05/82/620000582.db2.gz WMACZINDMYQMQG-LSDHHAIUSA-N 0 0 285.428 2.783 10 30 CFEERN C=CCC(C)(C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000899085586 620520699 /nfs/dbraw/zinc/52/06/99/620520699.db2.gz KYWCGPRHWNCRPD-CYBMUJFWSA-N 0 0 288.395 2.531 10 30 CFEERN C[C@H]1OCC[C@H]1Nc1nc2ccccc2cc1C#N ZINC000149800735 622319320 /nfs/dbraw/zinc/31/93/20/622319320.db2.gz AODTZAPJIXILBQ-ZWNOBZJWSA-N 0 0 253.305 2.696 10 30 CFEERN C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C1CCOCC1 ZINC000151481421 622916625 /nfs/dbraw/zinc/91/66/25/622916625.db2.gz PQIHSJBBXVHORA-CYBMUJFWSA-N 0 0 287.359 2.849 10 30 CFEERN C#CCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000174122924 623390035 /nfs/dbraw/zinc/39/00/35/623390035.db2.gz LBHPUJIDXXDUAW-WDEREUQCSA-N 0 0 276.302 2.820 10 30 CFEERN C#CCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000174122963 623390505 /nfs/dbraw/zinc/39/05/05/623390505.db2.gz LBHPUJIDXXDUAW-MNOVXSKESA-N 0 0 276.302 2.820 10 30 CFEERN CC[C@@H](Cc1ccccc1)OC(=O)CSCC#N ZINC000174549152 623429662 /nfs/dbraw/zinc/42/96/62/623429662.db2.gz ACGMSVMSRWFLNA-ZDUSSCGKSA-N 0 0 263.362 2.808 10 30 CFEERN C#CCOc1ccc(C(=O)O[C@H](C)C2CCOCC2)cc1 ZINC000151544583 623485633 /nfs/dbraw/zinc/48/56/33/623485633.db2.gz JYIOTNYIJWQBSF-CYBMUJFWSA-N 0 0 288.343 2.671 10 30 CFEERN N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250066329 623921373 /nfs/dbraw/zinc/92/13/73/623921373.db2.gz XGQLEOSGIJXQMB-ZSBIGDGJSA-N 0 0 256.305 2.574 10 30 CFEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1Cc1ccccc1 ZINC000068925242 625037424 /nfs/dbraw/zinc/03/74/24/625037424.db2.gz SUOMDXHUEABAGO-GFCCVEGCSA-N 0 0 281.359 2.795 10 30 CFEERN C[C@H](C#N)NC(=O)c1ccccc1NC(=O)c1ccsc1 ZINC000068925212 625037760 /nfs/dbraw/zinc/03/77/60/625037760.db2.gz VOQLFZKKKNSPDE-SNVBAGLBSA-N 0 0 299.355 2.642 10 30 CFEERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](S)C[C@H]2C1 ZINC000757159071 630871714 /nfs/dbraw/zinc/87/17/14/630871714.db2.gz BBYQLTRNXSHTDY-GARJFASQSA-N 0 0 257.399 2.952 10 30 CFEERN CCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000124353746 641981325 /nfs/dbraw/zinc/98/13/25/641981325.db2.gz BMMFMUCJOQOMGX-QWHCGFSZSA-N 0 0 269.385 2.614 10 30 CFEERN CC(C)[C@H](C#N)OC(=O)Cc1ccccc1Cl ZINC000195528394 650755109 /nfs/dbraw/zinc/75/51/09/650755109.db2.gz JLGHYXHFNVJHTB-LBPRGKRZSA-N 0 0 251.713 2.974 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000248296650 650930470 /nfs/dbraw/zinc/93/04/70/650930470.db2.gz YZYBEAVDBPXBFD-GBIKHYSHSA-N 0 0 270.288 2.572 10 30 CFEERN N#C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1 ZINC000594683733 349474179 /nfs/dbraw/zinc/47/41/79/349474179.db2.gz AYJLBTBTRBXXNJ-UONOGXRCSA-N 0 0 257.337 2.568 10 30 CFEERN CC(C)(C)OC(=O)N=C(N)c1ccc(Cl)cc1 ZINC000082556792 178094562 /nfs/dbraw/zinc/09/45/62/178094562.db2.gz IPDOEMAIWGZWMV-UHFFFAOYSA-N 0 0 254.717 2.980 10 30 CFEERN COc1cc(NC=CC(=O)C(F)(F)F)cc(OC)c1 ZINC000095932534 185032640 /nfs/dbraw/zinc/03/26/40/185032640.db2.gz ZCMWXBUBYGDVKO-ARJAWSKDSA-N 0 0 275.226 2.761 10 30 CFEERN COC(=O)c1ccc(Oc2ccc(C#N)nc2)cc1 ZINC000096034629 185068422 /nfs/dbraw/zinc/06/84/22/185068422.db2.gz KMZUEOIEROZWMZ-UHFFFAOYSA-N 0 0 254.245 2.532 10 30 CFEERN C=CC[C@@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000083331983 178381230 /nfs/dbraw/zinc/38/12/30/178381230.db2.gz UFIGRANCXYGHPY-HUUCEWRRSA-N 0 0 275.348 2.725 10 30 CFEERN COc1ccc([C@](O)(CC#N)c2ccccc2)cc1 ZINC000071765725 346923072 /nfs/dbraw/zinc/92/30/72/346923072.db2.gz PKLQDZSREHZODP-INIZCTEOSA-N 0 0 253.301 2.845 10 30 CFEERN N#Cc1cnnc(N2CCCC[C@H]2c2nccs2)c1 ZINC000596107022 349796083 /nfs/dbraw/zinc/79/60/83/349796083.db2.gz UCMYZSQYXHDGJS-NSHDSACASA-N 0 0 271.349 2.536 10 30 CFEERN C=CCN1c2ccc(NC(=O)CC(C)C)cc2OCC1=O ZINC000012098231 136378795 /nfs/dbraw/zinc/37/87/95/136378795.db2.gz OAYDTKMKTZKYKE-UHFFFAOYSA-N 0 0 288.347 2.583 10 30 CFEERN CCCCCCCCc1cn([C@H]2CCOC2=O)nn1 ZINC000084727782 178922165 /nfs/dbraw/zinc/92/21/65/178922165.db2.gz VMISBMRRBNOZOF-ZDUSSCGKSA-N 0 0 265.357 2.669 10 30 CFEERN CCOC(OCC)n1c(CO)cc2ccc(C#N)cc21 ZINC000034488140 346317313 /nfs/dbraw/zinc/31/73/13/346317313.db2.gz UQJGILXLUVZBJT-UHFFFAOYSA-N 0 0 274.320 2.534 10 30 CFEERN C[C@H](C#N)CNc1cccc(I)c1 ZINC000036668926 346323731 /nfs/dbraw/zinc/32/37/31/346323731.db2.gz VMQDOOKRJRSBLV-MRVPVSSYSA-N 0 0 286.116 2.863 10 30 CFEERN COc1ccc(Br)c(C(=O)[C@H](C)C#N)c1 ZINC000036931597 346324822 /nfs/dbraw/zinc/32/48/22/346324822.db2.gz XIBHHBZAZKSSCZ-SSDOTTSWSA-N 0 0 268.110 2.800 10 30 CFEERN CCN(CCCC#N)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000039085035 346341487 /nfs/dbraw/zinc/34/14/87/346341487.db2.gz PBBCZOGEQOMQAK-UHFFFAOYSA-N 0 0 294.420 2.926 10 30 CFEERN CCCCCCCCCCC[C@H](O)[C@H]1O[C@H]1C(N)=O ZINC000043911391 346388712 /nfs/dbraw/zinc/38/87/12/346388712.db2.gz LQDNRNBVBFZOEC-BFHYXJOUSA-N 0 0 271.401 2.521 10 30 CFEERN N#CCc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000043220640 346380795 /nfs/dbraw/zinc/38/07/95/346380795.db2.gz UVEGHALODGFVGT-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825515 346577361 /nfs/dbraw/zinc/57/73/61/346577361.db2.gz HDNXGGJPENHPAZ-GXTWGEPZSA-N 0 0 259.309 2.767 10 30 CFEERN CCn1c2ccccc2nc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892696 346686072 /nfs/dbraw/zinc/68/60/72/346686072.db2.gz CWPALWTVGPUHKX-QWHCGFSZSA-N 0 0 268.364 2.838 10 30 CFEERN CC[C@@H](Nc1cccc(F)c1C#N)c1noc(C)n1 ZINC000080679624 347374173 /nfs/dbraw/zinc/37/41/73/347374173.db2.gz IANIPABKDNSMCB-LLVKDONJSA-N 0 0 260.272 2.952 10 30 CFEERN C=C[C@@H](NN)c1cc(C)c(Br)c(C)c1 ZINC000097671511 347710136 /nfs/dbraw/zinc/71/01/36/347710136.db2.gz RQJVZGVNMOUVNC-SNVBAGLBSA-N 0 0 255.159 2.756 10 30 CFEERN COc1cccc2c1c(N)nn2Cc1cccc(C#N)c1 ZINC000112955041 347765604 /nfs/dbraw/zinc/76/56/04/347765604.db2.gz OSRQWQRVNSTJBG-UHFFFAOYSA-N 0 0 278.315 2.547 10 30 CFEERN Cc1cc(C#N)cc(C)c1OC[C@@H]1COC(C)(C)O1 ZINC000113877098 347769175 /nfs/dbraw/zinc/76/91/75/347769175.db2.gz LSPYJBVBIYDARG-CYBMUJFWSA-N 0 0 261.321 2.705 10 30 CFEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)ON1C(=O)CCC1=O ZINC000106404978 347730920 /nfs/dbraw/zinc/73/09/20/347730920.db2.gz VDAHBRFGADNPPK-GRYCIOLGSA-N 0 0 297.351 2.664 10 30 CFEERN CCCCCC[C@H](C)OC(=O)ON1C(=O)CCC1=O ZINC000106404942 347730953 /nfs/dbraw/zinc/73/09/53/347730953.db2.gz YLAYVGJSSNYJMA-JTQLQIEISA-N 0 0 271.313 2.563 10 30 CFEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCC1=O ZINC000118069975 347794987 /nfs/dbraw/zinc/79/49/87/347794987.db2.gz GRVBKAOLVAATPH-NSHDSACASA-N 0 0 265.353 2.923 10 30 CFEERN CC1CC(C#N)(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000124137734 347822942 /nfs/dbraw/zinc/82/29/42/347822942.db2.gz DPHOWURUYYFORE-RYCVTPFZSA-N 0 0 270.332 2.566 10 30 CFEERN COC(=O)CCc1ccc(C#Cc2cccc(C)n2)cc1 ZINC000116496799 347787812 /nfs/dbraw/zinc/78/78/12/347787812.db2.gz QIZSUBVPPFYGQY-UHFFFAOYSA-N 0 0 279.339 2.895 10 30 CFEERN N/C(=N\O)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1 ZINC000117577157 347792759 /nfs/dbraw/zinc/79/27/59/347792759.db2.gz PQENWJOJAISMNW-UHFFFAOYSA-N 0 0 297.236 2.742 10 30 CFEERN C#CC[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000127653095 347842565 /nfs/dbraw/zinc/84/25/65/347842565.db2.gz MGXAIVRGQWHDKJ-VIFPVBQESA-N 0 0 266.138 2.591 10 30 CFEERN COc1ccc(C[C@@](C)(Br)C#N)cc1 ZINC000127597563 347842851 /nfs/dbraw/zinc/84/28/51/347842851.db2.gz UCZKGXCUXGTFKA-LLVKDONJSA-N 0 0 254.127 2.915 10 30 CFEERN C=C(C)[C@@H](NN)c1ccc(Br)cc1F ZINC000126519504 347835370 /nfs/dbraw/zinc/83/53/70/347835370.db2.gz YKXWOYRMKJSDEB-SNVBAGLBSA-N 0 0 259.122 2.669 10 30 CFEERN Cc1ccc([C@@H](C#N)N(C)C)c(Br)c1 ZINC000129703322 347864066 /nfs/dbraw/zinc/86/40/66/347864066.db2.gz ZSHXVWGQHMGFSP-LLVKDONJSA-N 0 0 253.143 2.884 10 30 CFEERN O=C1C=C(NCC2CCCCC2)c2ccccc2C1=O ZINC000136992592 347911969 /nfs/dbraw/zinc/91/19/69/347911969.db2.gz IHEADIAUWUJXJY-UHFFFAOYSA-N 0 0 269.344 2.963 10 30 CFEERN CSc1ccc([C@H](O)C#CC2(O)CCCC2)cc1 ZINC000138265501 347915591 /nfs/dbraw/zinc/91/55/91/347915591.db2.gz GWNJMFPBNVSBBT-CQSZACIVSA-N 0 0 262.374 2.750 10 30 CFEERN CC(C)(C)[S@@](=O)N[C@@](C)(C#N)COCc1ccccc1 ZINC000146307475 347945001 /nfs/dbraw/zinc/94/50/01/347945001.db2.gz DEXJMRNYBGYWGO-YWZLYKJASA-N 0 0 294.420 2.537 10 30 CFEERN C[C@](C#N)(c1ccc(-c2cnc(N)nc2)cc1)C1CC1 ZINC000146471467 347945870 /nfs/dbraw/zinc/94/58/70/347945870.db2.gz HNPZTDGIKKMDNU-INIZCTEOSA-N 0 0 264.332 2.917 10 30 CFEERN CCCC(=O)C(=CNc1ccccc1)C(=O)OCC ZINC000148505480 347950532 /nfs/dbraw/zinc/95/05/32/347950532.db2.gz LDASRBRUBCKXSI-QBFSEMIESA-N 0 0 261.321 2.915 10 30 CFEERN CCCC[C@H](Nc1ccc(C#N)nn1)C(=O)OC(C)(C)C ZINC000159977051 348015269 /nfs/dbraw/zinc/01/52/69/348015269.db2.gz LGJHZNORGSPPEM-LBPRGKRZSA-N 0 0 290.367 2.661 10 30 CFEERN C#CC(C)(C)Oc1cc(Br)nc(CC)n1 ZINC000160484638 348017998 /nfs/dbraw/zinc/01/79/98/348017998.db2.gz UWPLAMOKLMKVDK-UHFFFAOYSA-N 0 0 269.142 2.592 10 30 CFEERN C#CCN(CC)c1ncc(Br)cc1C ZINC000163479508 348034266 /nfs/dbraw/zinc/03/42/66/348034266.db2.gz ZSEWJOHZNSJZRF-UHFFFAOYSA-N 0 0 253.143 2.612 10 30 CFEERN O=C(C1=CCCO1)c1cccc(Br)c1 ZINC000168082399 348047181 /nfs/dbraw/zinc/04/71/81/348047181.db2.gz ATGOSIBHJWIKPT-UHFFFAOYSA-N 0 0 253.095 2.936 10 30 CFEERN COc1ccc(OC)c(CC#N)c1Br ZINC000217838792 348165835 /nfs/dbraw/zinc/16/58/35/348165835.db2.gz ZSYIHAGLJUWVIO-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN CC=CC(=O)Cc1ccc(I)cc1 ZINC000232472780 348212063 /nfs/dbraw/zinc/21/20/63/348212063.db2.gz SMXNHSQRKXLKQT-NSCUHMNNSA-N 0 0 286.112 2.979 10 30 CFEERN N#CCc1cc(Br)ncc1OC(F)(F)F ZINC000238539839 348247371 /nfs/dbraw/zinc/24/73/71/348247371.db2.gz JQQAVMWKZWQRCQ-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C#CC[C@@H](C)Nc1nccc(C)c1Br ZINC000235444728 348227945 /nfs/dbraw/zinc/22/79/45/348227945.db2.gz HWDYXDWSJUQUPM-SECBINFHSA-N 0 0 253.143 2.976 10 30 CFEERN C#CCCC(=O)Nc1ccc(Br)cc1F ZINC000236145770 348231760 /nfs/dbraw/zinc/23/17/60/348231760.db2.gz XYNUZBSXHBPNGY-UHFFFAOYSA-N 0 0 270.101 2.940 10 30 CFEERN C#CC[C@H](NN)c1cc(Cl)ccc1Br ZINC000236284262 348232960 /nfs/dbraw/zinc/23/29/60/348232960.db2.gz 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2.761 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000335757706 348449753 /nfs/dbraw/zinc/44/97/53/348449753.db2.gz MDEPQPOQIHERJF-SMDDNHRTSA-N 0 0 272.323 2.666 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000335757704 348449793 /nfs/dbraw/zinc/44/97/93/348449793.db2.gz MDEPQPOQIHERJF-FZMZJTMJSA-N 0 0 272.323 2.666 10 30 CFEERN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)s1 ZINC000391910237 348544943 /nfs/dbraw/zinc/54/49/43/348544943.db2.gz CRHWXAKSGHTOPC-JMJZKYOTSA-N 0 0 250.371 2.580 10 30 CFEERN CCS(=O)(=O)CCCC1(C#N)CCC(C)CC1 ZINC000087930616 179525770 /nfs/dbraw/zinc/52/57/70/179525770.db2.gz YYQMMPXENYESOB-UHFFFAOYSA-N 0 0 257.399 2.921 10 30 CFEERN COCCN(CCC#N)C[C@H]1CCCCC1(F)F ZINC000381613606 348527190 /nfs/dbraw/zinc/52/71/90/348527190.db2.gz JFVWIQFCTVNIKL-GFCCVEGCSA-N 0 0 260.328 2.674 10 30 CFEERN CC(=O)Nc1ccccc1/C=C/[C@@](C)(O)C1(C#N)CC1 ZINC000584591033 348681636 /nfs/dbraw/zinc/68/16/36/348681636.db2.gz MBRFPRFSZXGHPC-MVGZEHJDSA-N 0 0 270.332 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275.348 2.703 10 30 CFEERN COc1c(N)c(C#N)ccc1OCc1ccccc1 ZINC000091692494 180227933 /nfs/dbraw/zinc/22/79/33/180227933.db2.gz CAQROJOOMXZTPL-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN COc1ccc2c(c1C)CCC/C2=N/OC(=O)N(C)C ZINC000105422068 186057001 /nfs/dbraw/zinc/05/70/01/186057001.db2.gz BSFKDIXRUDILRY-SSZFMOIBSA-N 0 0 276.336 2.742 10 30 CFEERN COC(=O)N1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616629199 352391709 /nfs/dbraw/zinc/39/17/09/352391709.db2.gz MKWZRLUHSXKNTQ-LBPRGKRZSA-N 0 0 258.321 2.894 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000135018550 187789351 /nfs/dbraw/zinc/78/93/51/187789351.db2.gz TYLAEDXPIJNKCQ-CZUORRHYSA-N 0 0 291.395 2.761 10 30 CFEERN C=CCN(C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000155159617 188187840 /nfs/dbraw/zinc/18/78/40/188187840.db2.gz VQIMZLIOBRQYDS-CYBMUJFWSA-N 0 0 284.363 2.761 10 30 CFEERN C=CCCOCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000155203529 188190676 /nfs/dbraw/zinc/19/06/76/188190676.db2.gz WFZXADNEVLTFMD-CHWSQXEVSA-N 0 0 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CFEERN Cc1cc(Oc2cccc(-n3ccnn3)c2)c(C#N)c(C)n1 ZINC000302157704 201373343 /nfs/dbraw/zinc/37/33/43/201373343.db2.gz NLLHGDQFZBPVSY-UHFFFAOYSA-N 0 0 291.314 2.943 10 30 CFEERN Cc1nc(CN(C)c2ccc(C#N)c(C(F)(F)F)c2)no1 ZINC000302134557 201358160 /nfs/dbraw/zinc/35/81/60/201358160.db2.gz CWEYLAYWFYTLDW-UHFFFAOYSA-N 0 0 296.252 2.905 10 30 CFEERN N#Cc1cc(Br)cnc1OCC1CCOCC1 ZINC000211488904 189687529 /nfs/dbraw/zinc/68/75/29/189687529.db2.gz LVOVOLRUQWQYNJ-UHFFFAOYSA-N 0 0 297.152 2.521 10 30 CFEERN C=CC[C@@H](C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685962214 541477619 /nfs/dbraw/zinc/47/76/19/541477619.db2.gz YTDXBTXUAYYNMU-SNVBAGLBSA-N 0 0 253.342 2.825 10 30 CFEERN C=CCC1(C(=O)C=C)CN(C(=O)OC(C)(C)C)C1 ZINC000685958242 541470560 /nfs/dbraw/zinc/47/05/60/541470560.db2.gz AVFIGEIPABRBIS-UHFFFAOYSA-N 0 0 251.326 2.555 10 30 CFEERN C=CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000685959588 541474367 /nfs/dbraw/zinc/47/43/67/541474367.db2.gz BYVLZYVFNDJTQD-SNVBAGLBSA-N 0 0 253.342 2.635 10 30 CFEERN 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CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(C#N)c1 ZINC000181881906 380925834 /nfs/dbraw/zinc/92/58/34/380925834.db2.gz SYMQBWHZCCLOIB-IUODEOHRSA-N 0 0 295.390 2.898 10 30 CFEERN Cc1ccc2c(c1)[C@@H](NC(=O)CSCC#N)[C@@H](C)C2 ZINC000182188145 381014286 /nfs/dbraw/zinc/01/42/86/381014286.db2.gz ABMWAYDGWFIMAA-NHYWBVRUSA-N 0 0 274.389 2.601 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000182316303 381059469 /nfs/dbraw/zinc/05/94/69/381059469.db2.gz SVZPGNJZWGUUKI-SMDDNHRTSA-N 0 0 257.337 2.523 10 30 CFEERN CCO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C)C#N)C12CCCC2 ZINC000182808745 381163404 /nfs/dbraw/zinc/16/34/04/381163404.db2.gz YLVVVDVZRFNPHR-MELADBBJSA-N 0 0 293.411 2.525 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)CCCOc1ccccc1 ZINC000359679020 381551449 /nfs/dbraw/zinc/55/14/49/381551449.db2.gz QTRNVBGZDKNNIA-UKRRQHHQSA-N 0 0 272.348 2.654 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccccc1Br ZINC000186056811 381814998 /nfs/dbraw/zinc/81/49/98/381814998.db2.gz FHRRSPXOFHUBND-VHSXEESVSA-N 0 0 295.180 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CFEERN Cn1cc(Sc2nc3c(cc2C#N)CCCC3)cn1 ZINC000043410351 184559634 /nfs/dbraw/zinc/55/96/34/184559634.db2.gz BNJLYHQNYXMLOZ-UHFFFAOYSA-N 0 0 270.361 2.717 10 30 CFEERN CCN(c1nc2c(cc1C#N)CCCC2)[C@@H](C)COC ZINC000043410253 184559726 /nfs/dbraw/zinc/55/97/26/184559726.db2.gz CCMSCNUFBNJNLM-LBPRGKRZSA-N 0 0 273.380 2.693 10 30 CFEERN N#Cc1ccc(NC[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000089166670 184615895 /nfs/dbraw/zinc/61/58/95/184615895.db2.gz YPYSETOFLPKIKY-ZWNOBZJWSA-N 0 0 250.729 2.785 10 30 CFEERN N#Cc1c(C(N)=O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000575379252 382762370 /nfs/dbraw/zinc/76/23/70/382762370.db2.gz AZBJPMGOUPVRAQ-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)F)c1Cl ZINC000575382399 382762970 /nfs/dbraw/zinc/76/29/70/382762970.db2.gz IXFAGRFJTWCTRH-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1Cl ZINC000575382391 382762993 /nfs/dbraw/zinc/76/29/93/382762993.db2.gz GUDYZILTHDJYNG-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)c1c(Cl)c(C#N)ccc1OC(F)F ZINC000575382314 382763003 /nfs/dbraw/zinc/76/30/03/382763003.db2.gz BAAFYIMNTJVSCC-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN COC(=O)c1ccc(Cl)c(OC(F)F)c1C#N ZINC000575382547 382763122 /nfs/dbraw/zinc/76/31/22/382763122.db2.gz YVPDRVRNNKKFCG-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN COC(=O)Cc1c(OC(F)F)ccc(C(F)F)c1C#N ZINC000575385501 382764093 /nfs/dbraw/zinc/76/40/93/382764093.db2.gz VYBNTRPPWHVEHF-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)Cc1c(OC(F)F)ccc(C#N)c1CC ZINC000575385504 382764323 /nfs/dbraw/zinc/76/43/23/382764323.db2.gz WANJPERTLGSJTG-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1OC(F)F ZINC000575386869 382764537 /nfs/dbraw/zinc/76/45/37/382764537.db2.gz MBHBZTQXMTULLI-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1c(C)ccc(OC(F)F)c1C#N ZINC000575388378 382764822 /nfs/dbraw/zinc/76/48/22/382764822.db2.gz HKJYUMVPBRUHRE-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)c1ccc(C)c(C#N)c1OC(F)F 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382765857 /nfs/dbraw/zinc/76/58/57/382765857.db2.gz JGKBEDAJKJPJGI-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1cc(C#N)c(C(F)(F)F)cc1CC(=O)OC ZINC000575389546 382765865 /nfs/dbraw/zinc/76/58/65/382765865.db2.gz HQPAPRRZLUZBPB-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575389651 382765894 /nfs/dbraw/zinc/76/58/94/382765894.db2.gz WMKUSTYLFBQCBP-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C(F)F)c1C#N ZINC000575389421 382765900 /nfs/dbraw/zinc/76/59/00/382765900.db2.gz MABJGYCVYRIPCE-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1c(F)ccc(C(F)F)c1C#N ZINC000575389945 382765989 /nfs/dbraw/zinc/76/59/89/382765989.db2.gz VMMKLKLQAHXHBM-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(F)c1OC(F)(F)F ZINC000575390400 382766108 /nfs/dbraw/zinc/76/61/08/382766108.db2.gz IVNZFCIJAXVWJH-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1C=O ZINC000575391024 382766419 /nfs/dbraw/zinc/76/64/19/382766419.db2.gz DGWSVLKQPBTBHJ-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1O ZINC000575391660 382766745 /nfs/dbraw/zinc/76/67/45/382766745.db2.gz CAKDEOKMTYRMPN-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C=O)c1C(F)(F)F ZINC000575391523 382766830 /nfs/dbraw/zinc/76/68/30/382766830.db2.gz PMLQBTBBXOCFCA-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1C=O ZINC000575391291 382766853 /nfs/dbraw/zinc/76/68/53/382766853.db2.gz SMZJLISQTUFHIS-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1c(O)cc(SC(F)(F)F)cc1C#N ZINC000575392058 382767237 /nfs/dbraw/zinc/76/72/37/382767237.db2.gz NNRXRQKMGMOFKQ-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN CCOC(=O)c1ccc(OC)c(C(F)(F)F)c1C#N ZINC000575393967 382767967 /nfs/dbraw/zinc/76/79/67/382767967.db2.gz AXBZNKZHPLOFSH-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1cc(C)c(C#N)c(OC(F)(F)F)c1 ZINC000575394638 382768156 /nfs/dbraw/zinc/76/81/56/382768156.db2.gz PTDSWXPWGJBPLF-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC(F)(F)F)c1C ZINC000575394566 382768194 /nfs/dbraw/zinc/76/81/94/382768194.db2.gz JRPBCOOMFDKITC-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC)c1C(F)(F)F ZINC000575394362 382768202 /nfs/dbraw/zinc/76/82/02/382768202.db2.gz ISPBUYUBMRDTQN-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1c(OC(F)(F)F)ccc(OC)c1C#N ZINC000575394479 382768219 /nfs/dbraw/zinc/76/82/19/382768219.db2.gz MNWZFAHHFAGTGR-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1c(OC)ccc(C(F)(F)F)c1C#N ZINC000575394943 382768471 /nfs/dbraw/zinc/76/84/71/382768471.db2.gz VCZNMFSDZQALEB-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1OC ZINC000575395006 382768475 /nfs/dbraw/zinc/76/84/75/382768475.db2.gz SNWTZOOTTABQIW-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1OC ZINC000575394793 382768480 /nfs/dbraw/zinc/76/84/80/382768480.db2.gz OCQVIVOBNYLMSC-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1C ZINC000575395206 382768726 /nfs/dbraw/zinc/76/87/26/382768726.db2.gz RWSPKPGJWDFMMJ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN Cc1cc2[nH]cc(I)c2c(C#N)c1 ZINC000575440974 382771772 /nfs/dbraw/zinc/77/17/72/382771772.db2.gz CPBHALJSURHSBY-UHFFFAOYSA-N 0 0 282.084 2.953 10 30 CFEERN N#CCNc1cc(Cl)ccc1I ZINC000575478187 382772617 /nfs/dbraw/zinc/77/26/17/382772617.db2.gz AIHUWXJJAZGEKF-UHFFFAOYSA-N 0 0 292.507 2.880 10 30 CFEERN N#CCc1ccc(N)c(OC(F)F)c1Br ZINC000575714834 382794588 /nfs/dbraw/zinc/79/45/88/382794588.db2.gz SVVGMXWFEKOUBE-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1ccc(CC#N)c([N+](=O)[O-])c1OC(F)F ZINC000575656183 382779709 /nfs/dbraw/zinc/77/97/09/382779709.db2.gz DVGLNJHEZFHYCE-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCc1c(CC#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575660601 382781050 /nfs/dbraw/zinc/78/10/50/382781050.db2.gz UPWLUGPOHUUFAH-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1c(I)ccc(N)c1Cl ZINC000575715767 382794923 /nfs/dbraw/zinc/79/49/23/382794923.db2.gz QMCORFLLXNZPEC-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc(OC(F)F)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575664770 382782356 /nfs/dbraw/zinc/78/23/56/382782356.db2.gz AARUVLYWYAMQOO-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN N#Cc1cc(OC(F)F)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575667999 382782755 /nfs/dbraw/zinc/78/27/55/382782755.db2.gz PRFZRIVPDWFXLR-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1ccc(F)c(C#N)c1I ZINC000575670345 382783475 /nfs/dbraw/zinc/78/34/75/382783475.db2.gz KCHKXRHLOHTSNP-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1OCC ZINC000575670518 382783517 /nfs/dbraw/zinc/78/35/17/382783517.db2.gz KUODVERYKSLZGJ-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OCC)c1OC(F)F ZINC000575670105 382783527 /nfs/dbraw/zinc/78/35/27/382783527.db2.gz FBPVVXUUYUQUDW-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1ccc(C#N)c(I)c1F ZINC000575670024 382783584 /nfs/dbraw/zinc/78/35/84/382783584.db2.gz CTWZHOLGENBLFS-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c(I)ccc(C)c1C#N ZINC000575670119 382783593 /nfs/dbraw/zinc/78/35/93/382783593.db2.gz FOMRGSXMDUXIKN-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)c1cc(OCC)cc(OC(F)F)c1C#N ZINC000575670531 382783625 /nfs/dbraw/zinc/78/36/25/382783625.db2.gz LAXYWSDUWVDTAH-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(OC(F)F)cc1OCC ZINC000575670889 382783645 /nfs/dbraw/zinc/78/36/45/382783645.db2.gz NSHKCMNLXFTAFN-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1cc(I)c(C#N)cc1F ZINC000575670983 382783651 /nfs/dbraw/zinc/78/36/51/382783651.db2.gz RKHFBUVZQHJRJO-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(C#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575670454 382783690 /nfs/dbraw/zinc/78/36/90/382783690.db2.gz HZDMZVGZTZELOZ-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1cc(C#N)c(I)cc1C ZINC000575671760 382784057 /nfs/dbraw/zinc/78/40/57/382784057.db2.gz WTCQXMPGWFYBKR-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN N#CCc1c(N)cc(OC(F)(F)F)cc1OC(F)F ZINC000575716358 382795066 /nfs/dbraw/zinc/79/50/66/382795066.db2.gz AAVMBECTOUWLLU-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN COc1cc(C(F)(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575679130 382785190 /nfs/dbraw/zinc/78/51/90/382785190.db2.gz MPRKSGAYPKZNJM-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1c(N)c(OC(F)F)ccc1C(F)(F)F ZINC000575717218 382795216 /nfs/dbraw/zinc/79/52/16/382795216.db2.gz LEXDXNZOAARLLJ-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1c(N)c(OC(F)F)ccc1OC(F)(F)F ZINC000575717329 382795237 /nfs/dbraw/zinc/79/52/37/382795237.db2.gz NAKNDJVRMULPFY-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1c(Br)ccc(O)c1OC(F)(F)F ZINC000575690746 382788974 /nfs/dbraw/zinc/78/89/74/382788974.db2.gz AJMWJAWLUDMJCK-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#CCc1c(F)cc(I)cc1F ZINC000575694375 382789425 /nfs/dbraw/zinc/78/94/25/382789425.db2.gz GRICDEGVBDLLCT-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN N#CCc1cc(O)c(Br)cc1Br ZINC000575694057 382789641 /nfs/dbraw/zinc/78/96/41/382789641.db2.gz HSRBKVLHBOKDEF-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN N#CCc1cc(Br)c(O)cc1Br ZINC000575693827 382789645 /nfs/dbraw/zinc/78/96/45/382789645.db2.gz FUFRULHOUPIMTA-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN N#CCc1cc(F)c(I)cc1F ZINC000575696573 382789784 /nfs/dbraw/zinc/78/97/84/382789784.db2.gz ZGQWAFYENYDXET-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN CCc1cc(N)cc(CC#N)c1I ZINC000575718142 382795510 /nfs/dbraw/zinc/79/55/10/382795510.db2.gz QGYKMWSOPJOVHK-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN CCc1ccc(I)c(N)c1CC#N ZINC000575718479 382795527 /nfs/dbraw/zinc/79/55/27/382795527.db2.gz VFEYVOQUHFLYGG-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(OC(F)F)cc(N)c1C(F)(F)F ZINC000575718190 382795555 /nfs/dbraw/zinc/79/55/55/382795555.db2.gz ZTZVBRGSGVVGEB-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN COc1ccc(CC#N)c(I)c1C ZINC000575708945 382792922 /nfs/dbraw/zinc/79/29/22/382792922.db2.gz PPGWYTHADKENDR-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1c(Br)cc(CC)cc1C#N ZINC000575341640 382759366 /nfs/dbraw/zinc/75/93/66/382759366.db2.gz YMANRYOSNJIZEX-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1Br ZINC000575341589 382759465 /nfs/dbraw/zinc/75/94/65/382759465.db2.gz BIEARPDXBZQTGX-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)Cc1cc(C#N)c(Cl)cc1OC(F)F ZINC000575343053 382759709 /nfs/dbraw/zinc/75/97/09/382759709.db2.gz YYIVXDUNVCHAIV-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(OC(F)F)cc1C#N ZINC000575343055 382759765 /nfs/dbraw/zinc/75/97/65/382759765.db2.gz ZCFPZTPYYCPLGZ-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1ccc(OC)c(C(F)F)c1C#N ZINC000575343631 382759965 /nfs/dbraw/zinc/75/99/65/382759965.db2.gz TYKBCVSNMBSXNZ-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1C ZINC000575344010 382759987 /nfs/dbraw/zinc/75/99/87/382759987.db2.gz MGUGCURLKUYFNY-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C#N)c(C(F)F)c1 ZINC000575344185 382760052 /nfs/dbraw/zinc/76/00/52/382760052.db2.gz TYQZPJNGIWTDBF-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN C#CCOC(=O)c1ccc(-n2cccc2)cc1Cl ZINC000226244826 382825665 /nfs/dbraw/zinc/82/56/65/382825665.db2.gz LXXAAOWQPDCILO-UHFFFAOYSA-N 0 0 259.692 2.921 10 30 CFEERN N#Cc1ccccc1OCCN1CCO[C@H]2CCCC[C@H]21 ZINC000227131759 382834276 /nfs/dbraw/zinc/83/42/76/382834276.db2.gz JWLQRGSUYMAYAR-WBVHZDCISA-N 0 0 286.375 2.580 10 30 CFEERN CCC[C@@H](CCO)CNc1cc(C)nc(C)c1C#N ZINC000227594084 382838018 /nfs/dbraw/zinc/83/80/18/382838018.db2.gz NQWFICMYJGWSBP-ZDUSSCGKSA-N 0 0 261.369 2.781 10 30 CFEERN CCS[C@@H]1CC[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000230185784 382857208 /nfs/dbraw/zinc/85/72/08/382857208.db2.gz QWSBJBXUROGERU-WDEREUQCSA-N 0 0 292.364 2.948 10 30 CFEERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C#N)n2)o1 ZINC000235540679 382883498 /nfs/dbraw/zinc/88/34/98/382883498.db2.gz RHMLFMVIZCEWDA-VIFPVBQESA-N 0 0 272.264 2.936 10 30 CFEERN Cc1cccc(C(=O)CC#N)c1I ZINC000235776578 382887868 /nfs/dbraw/zinc/88/78/68/382887868.db2.gz FTFNGPCJZVTBQK-UHFFFAOYSA-N 0 0 285.084 2.696 10 30 CFEERN N#Cc1nc(N[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000236416830 382894239 /nfs/dbraw/zinc/89/42/39/382894239.db2.gz OOOWXWMVPQODJT-RYUDHWBXSA-N 0 0 280.287 2.829 10 30 CFEERN N#Cc1nc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000236600345 382897271 /nfs/dbraw/zinc/89/72/71/382897271.db2.gz GNOAHLOKPURANX-UHFFFAOYSA-N 0 0 273.273 2.718 10 30 CFEERN C[C@H]1C[C@H](CCN2CCO[C@H](C#N)C2)C[C@@H](C)C1 ZINC000246137670 383063617 /nfs/dbraw/zinc/06/36/17/383063617.db2.gz ASKVDBGXKBGGOC-CBBWQLFWSA-N 0 0 250.386 2.673 10 30 CFEERN CCOP(=O)(Cc1cccc([C@@H](N)C#N)c1)OCC ZINC000584643297 383113264 /nfs/dbraw/zinc/11/32/64/383113264.db2.gz VNHJZTXKXMGSQL-ZDUSSCGKSA-N 0 0 282.280 2.976 10 30 CFEERN NC(=S)NN=Cc1ccccc1Nc1ccccc1 ZINC000254520142 383468157 /nfs/dbraw/zinc/46/81/57/383468157.db2.gz AOONCDNCCBNKAD-UHFFFAOYSA-N 0 0 270.361 2.597 10 30 CFEERN CCOC=Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000254874658 383472020 /nfs/dbraw/zinc/47/20/20/383472020.db2.gz OAKOGQGICWUILD-UHFFFAOYSA-N 0 0 266.322 2.801 10 30 CFEERN COC(=O)c1ccc(/N=C\c2cccc(OC)c2O)cc1 ZINC000096515539 256839376 /nfs/dbraw/zinc/83/93/76/256839376.db2.gz KDVYPSRCDMNXQP-YVLHZVERSA-N 0 0 285.299 2.938 10 30 CFEERN C[C@@H](CC1CC1)NC(=O)c1csc(NC2CC2)n1 ZINC000330233729 533499079 /nfs/dbraw/zinc/49/90/79/533499079.db2.gz SFDVGQMTKSKSIS-QMMMGPOBSA-N 0 0 265.382 2.633 10 30 CFEERN CCC[C@@H]1CN(c2cc(C)nc(C)c2C#N)CCO1 ZINC000301832744 393478274 /nfs/dbraw/zinc/47/82/74/393478274.db2.gz JIXWHBFOJCSVLE-CYBMUJFWSA-N 0 0 259.353 2.575 10 30 CFEERN Cc1cc(C#N)ccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000186227734 393541728 /nfs/dbraw/zinc/54/17/28/393541728.db2.gz GTJAFHZJNQXQQT-OAHLLOKOSA-N 0 0 299.399 2.897 10 30 CFEERN C=CCO[C@H]1CCN(c2ncnc3sc(C)cc32)C1 ZINC000302121265 393488346 /nfs/dbraw/zinc/48/83/46/393488346.db2.gz DMKMITCMXXLIJQ-NSHDSACASA-N 0 0 275.377 2.781 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(s1)CCC2 ZINC000061889025 393626276 /nfs/dbraw/zinc/62/62/76/393626276.db2.gz FLPFDJWRFTZNCP-WDEREUQCSA-N 0 0 260.362 2.659 10 30 CFEERN N#Cc1ccc(NCC2CC(O)C2)cc1C(F)(F)F ZINC000091525525 393783228 /nfs/dbraw/zinc/78/32/28/393783228.db2.gz YZULXCVVFIMSRX-UHFFFAOYSA-N 0 0 270.254 2.760 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1Cl ZINC000093655728 393801962 /nfs/dbraw/zinc/80/19/62/393801962.db2.gz FWNZGASATWJJGW-LDYMZIIASA-N 0 0 266.703 2.901 10 30 CFEERN Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000085346109 134505614 /nfs/dbraw/zinc/50/56/14/134505614.db2.gz CDCBVJIPGIVETB-UHFFFAOYSA-N 0 0 285.322 2.540 10 30 CFEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(F)cc1F ZINC000134863997 394205164 /nfs/dbraw/zinc/20/51/64/394205164.db2.gz QFMWTCHXLBWAJH-RNCFNFMXSA-N 0 0 264.275 2.695 10 30 CFEERN N#Cc1cc2c(nc1N1CCO[C@@H]3CCC[C@@H]31)CCCC2 ZINC000043427683 134902897 /nfs/dbraw/zinc/90/28/97/134902897.db2.gz XQBHDVJYLXYAGE-JKSUJKDBSA-N 0 0 283.375 2.590 10 30 CFEERN CC(C)n1ccnc1CS(=O)(=O)CCCC(C)(C)C#N ZINC000178165003 394386551 /nfs/dbraw/zinc/38/65/51/394386551.db2.gz AXGOLXFMWDHTBX-UHFFFAOYSA-N 0 0 297.424 2.709 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000178562234 394389300 /nfs/dbraw/zinc/38/93/00/394389300.db2.gz KEFADMAHKDSPAV-BXUZGUMPSA-N 0 0 273.336 2.556 10 30 CFEERN COC(=O)[C@@H]1O[C@@]1(C)c1c(Cl)cccc1Cl ZINC000400894963 542993005 /nfs/dbraw/zinc/99/30/05/542993005.db2.gz KLEYSHDKYFZBOY-ONGXEEELSA-N 0 0 261.104 2.780 10 30 CFEERN C=CC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405507000 543019955 /nfs/dbraw/zinc/01/99/55/543019955.db2.gz PZKKIHHTKFVDDB-NSHDSACASA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000405804061 543024172 /nfs/dbraw/zinc/02/41/72/543024172.db2.gz BULQLRAYXKKVBC-GHMZBOCLSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000406000926 543029020 /nfs/dbraw/zinc/02/90/20/543029020.db2.gz NHWZHIJOXRNGJE-LLVKDONJSA-N 0 0 253.342 2.921 10 30 CFEERN C=CCCC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406062920 543029457 /nfs/dbraw/zinc/02/94/57/543029457.db2.gz LJMRVJDFHCXAGD-LBPRGKRZSA-N 0 0 253.342 2.825 10 30 CFEERN C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000406070508 543029554 /nfs/dbraw/zinc/02/95/54/543029554.db2.gz DJCBJHUEQKPCKC-LLVKDONJSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000199749754 397614401 /nfs/dbraw/zinc/61/44/01/397614401.db2.gz RZYBVTBIWWSVJN-RYUDHWBXSA-N 0 0 257.374 2.863 10 30 CFEERN CCOC(=O)N[C@@H](c1ccc(OC)cc1)[C@@H](C=O)C(C)C ZINC000215152625 397619116 /nfs/dbraw/zinc/61/91/16/397619116.db2.gz VEKULCRPYMVBTR-GJZGRUSLSA-N 0 0 293.363 2.954 10 30 CFEERN COC1=CC(=O)C=C(OC)C12CC(C)(C)N=C2SC ZINC000000354294 292150855 /nfs/dbraw/zinc/15/08/55/292150855.db2.gz DWQPQEVHYZKJOG-UHFFFAOYSA-N 0 0 281.377 2.560 10 30 CFEERN CCCOC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000002021443 169768047 /nfs/dbraw/zinc/76/80/47/169768047.db2.gz LHRLRJXHMDGYQJ-UHFFFAOYSA-N 0 0 250.681 2.943 10 30 CFEERN CC(=O)c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 ZINC000003216947 169868631 /nfs/dbraw/zinc/86/86/31/169868631.db2.gz DBGREIOAZISMQN-UHFFFAOYSA-N 0 0 292.338 2.606 10 30 CFEERN O=[N+]([O-])c1ccc(CN=Nc2nncc3ccccc32)o1 ZINC000005119683 170068100 /nfs/dbraw/zinc/06/81/00/170068100.db2.gz NHCUAKZFALGTJF-OVCLIPMQSA-N 0 0 283.247 2.577 10 30 CFEERN COc1ccc(C(=O)COc2ccc(C#N)cc2)cc1F ZINC000005183598 170074387 /nfs/dbraw/zinc/07/43/87/170074387.db2.gz AMQLYXUCBWMRRY-UHFFFAOYSA-N 0 0 285.274 2.968 10 30 CFEERN C=CCNC(=O)c1ccc2ccc(C(=O)NCC=C)cc2c1 ZINC000005283087 170082538 /nfs/dbraw/zinc/08/25/38/170082538.db2.gz CEWMRHRFDAHLLE-UHFFFAOYSA-N 0 0 294.354 2.671 10 30 CFEERN Cc1ccccc1[S@](=O)c1cccc(N)c1C#N ZINC000005931414 170157173 /nfs/dbraw/zinc/15/71/73/170157173.db2.gz KKORPTDYKFQNQB-GOSISDBHSA-N 0 0 256.330 2.616 10 30 CFEERN COC(=O)/C=C/C(=O)c1ccc2cc(OC)ccc2c1 ZINC000006018984 170169106 /nfs/dbraw/zinc/16/91/06/170169106.db2.gz CCEWOEABHCOAEZ-BQYQJAHWSA-N 0 0 270.284 2.760 10 30 CFEERN COC(=O)c1sccc1NC=CC(=O)C(F)(F)F ZINC000006179744 170180774 /nfs/dbraw/zinc/18/07/74/170180774.db2.gz HDABUFKRZWXZQN-RQOWECAXSA-N 0 0 279.239 2.592 10 30 CFEERN CC(C)c1nc(C#N)c(N=NCc2ccncc2)o1 ZINC000006633922 170220451 /nfs/dbraw/zinc/22/04/51/170220451.db2.gz PSEZQEICDVDVNL-LZYBPNLTSA-N 0 0 255.281 2.511 10 30 CFEERN CCN(CC)/C(=N/Nc1ccccc1Cl)C(=O)OC ZINC000006937430 170256792 /nfs/dbraw/zinc/25/67/92/170256792.db2.gz DTMRVHDXHLHINX-FOWTUZBSSA-N 0 0 283.759 2.580 10 30 CFEERN Cc1cc(C)nc(N=NCc2cc(Cl)ccc2O)n1 ZINC000007890828 170306428 /nfs/dbraw/zinc/30/64/28/170306428.db2.gz BXRSNGXVDCHWAD-VIZOYTHASA-N 0 0 276.727 2.898 10 30 CFEERN C=C[C@H](c1ccccc1)C1=CC(=O)C(OC)=C(OC)C1=O ZINC000008214933 170324760 /nfs/dbraw/zinc/32/47/60/170324760.db2.gz LJEJBLOFFDLRIH-GFCCVEGCSA-N 0 0 284.311 2.539 10 30 in-vitro CFEERN CCOc1ccc(NN=C(C#N)C2=NC(=O)CS2)cc1 ZINC000008324159 170330793 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/nfs/dbraw/zinc/99/83/17/170998317.db2.gz GROHDOGBJYUTIX-OQLLNIDSSA-N 0 0 287.275 2.842 10 30 CFEERN CC(C)c1ccc(S(=O)(=O)C[C@H](C)C#N)cc1 ZINC000020223346 171086082 /nfs/dbraw/zinc/08/60/82/171086082.db2.gz XAYMWFZZZSMABE-LLVKDONJSA-N 0 0 251.351 2.743 10 30 CFEERN C[C@@H](Nc1ccccc1C#N)C(=O)Nc1ccccc1 ZINC000020304168 171141269 /nfs/dbraw/zinc/14/12/69/171141269.db2.gz GYUDYHMLUFIRRE-GFCCVEGCSA-N 0 0 265.316 2.997 10 30 CFEERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccccc1C#N ZINC000020367072 171165830 /nfs/dbraw/zinc/16/58/30/171165830.db2.gz CMDWSCPIMISEQN-LLVKDONJSA-N 0 0 259.353 2.663 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1ccccc1-c1ccccc1 ZINC000020368257 171166500 /nfs/dbraw/zinc/16/65/00/171166500.db2.gz LUSRSLSJYIWHPQ-CQSZACIVSA-N 0 0 278.355 2.903 10 30 CFEERN COc1cc(CO)cc(Cl)c1OCCCC#N ZINC000020377350 171171714 /nfs/dbraw/zinc/17/17/14/171171714.db2.gz KFJVVSRXAIFHGG-UHFFFAOYSA-N 0 0 255.701 2.523 10 30 CFEERN CN[C@@](C)(C#N)CCc1ccc(OC(F)F)cc1 ZINC000020378092 171171817 /nfs/dbraw/zinc/17/18/17/171171817.db2.gz QTKCFOPXLXKKEC-CYBMUJFWSA-N 0 0 254.280 2.722 10 30 CFEERN C=CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1N ZINC000020422529 171189188 /nfs/dbraw/zinc/18/91/88/171189188.db2.gz ZZAMRXSWMPOQEI-MRVPVSSYSA-N 0 0 270.785 2.705 10 30 CFEERN C=CCn1c(COC)nnc1SC1CCCC1 ZINC000020426285 171192561 /nfs/dbraw/zinc/19/25/61/171192561.db2.gz YDUCIOXMFDROEQ-UHFFFAOYSA-N 0 0 253.371 2.645 10 30 CFEERN C=CCn1c(S[C@H](C)C(=O)OCC)nnc1C(C)(C)C ZINC000020839262 171275521 /nfs/dbraw/zinc/27/55/21/171275521.db2.gz XWAMNCRJJNQZPE-SNVBAGLBSA-N 0 0 297.424 2.805 10 30 CFEERN Cc1cccc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC000021015282 171289652 /nfs/dbraw/zinc/28/96/52/171289652.db2.gz SHNRENSSBLSFHZ-UHFFFAOYSA-N 0 0 286.356 2.809 10 30 CFEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccc(F)cc1 ZINC000021050316 171294950 /nfs/dbraw/zinc/29/49/50/171294950.db2.gz BUKULGCYPUGRAI-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN N#Cc1ccc(OCCC(=O)Nc2ccccc2N)cc1 ZINC000022213741 171374855 /nfs/dbraw/zinc/37/48/55/171374855.db2.gz WVHNOMBOVDFPNX-UHFFFAOYSA-N 0 0 281.315 2.548 10 30 CFEERN C=CCCCCC/C=C/[C@H](O)C#CC#C[C@@H](O)C=C ZINC000031260208 171634538 /nfs/dbraw/zinc/63/45/38/171634538.db2.gz OLUQMFYBNOJBQQ-ONPHEMOESA-N 0 0 258.361 2.594 10 30 CFEERN CCOc1ccc(-c2cc(C)nc(N)c2C#N)cc1 ZINC000035278878 172097287 /nfs/dbraw/zinc/09/72/87/172097287.db2.gz CJOXQRYUSFTZQM-UHFFFAOYSA-N 0 0 253.305 2.910 10 30 CFEERN C[C@@H]1CSC(Nc2ccc(C#N)c(Cl)c2)=N1 ZINC000035295303 172107012 /nfs/dbraw/zinc/10/70/12/172107012.db2.gz VPMAXNLNUDCIAZ-SSDOTTSWSA-N 0 0 251.742 2.924 10 30 CFEERN CCOc1ccc(C=Nn2c(C)n[nH]c2=S)cc1 ZINC000035455578 172206899 /nfs/dbraw/zinc/20/68/99/172206899.db2.gz UHYUTDLNQACCFN-JYRVWZFOSA-N 0 0 262.338 2.530 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)c1cccnc1Cl ZINC000036158197 172478874 /nfs/dbraw/zinc/47/88/74/172478874.db2.gz KVQKRTWLLNALAS-UHFFFAOYSA-N 0 0 275.670 2.998 10 30 CFEERN CCOc1nc(Nc2cccc(C#N)c2)ccc1N ZINC000037067526 172930516 /nfs/dbraw/zinc/93/05/16/172930516.db2.gz OPPMSMBUARZODV-UHFFFAOYSA-N 0 0 254.293 2.678 10 30 CFEERN N#Cc1ccc(F)c(CSc2ccncc2N)c1 ZINC000037190217 173019672 /nfs/dbraw/zinc/01/96/72/173019672.db2.gz MNYHLCLUVGBTPP-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN N#Cc1ccc(CSc2ccncc2N)c(F)c1 ZINC000037190253 173019925 /nfs/dbraw/zinc/01/99/25/173019925.db2.gz WQZFSWMEGFQKRO-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN N#Cc1ccc(-n2nc(-c3ccco3)cc2N)cc1 ZINC000037295125 173099574 /nfs/dbraw/zinc/09/95/74/173099574.db2.gz PLEFILZYNQDRKE-UHFFFAOYSA-N 0 0 250.261 2.586 10 30 CFEERN CCOCCC(=O)[C@@H](C#N)c1ccc(C)c(OC)c1 ZINC000037347275 173144233 /nfs/dbraw/zinc/14/42/33/173144233.db2.gz FFHAWNMZFXGSMA-ZDUSSCGKSA-N 0 0 261.321 2.607 10 30 CFEERN CCCNC(=O)[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000037393428 173173550 /nfs/dbraw/zinc/17/35/50/173173550.db2.gz BPSXVLFNTGFSPW-SECBINFHSA-N 0 0 265.744 2.538 10 30 CFEERN CCC[C@H](C)C(=O)Nc1ccc(C#CCO)c(C)c1 ZINC000037548939 173266002 /nfs/dbraw/zinc/26/60/02/173266002.db2.gz RDRQBTIOZAURCF-LBPRGKRZSA-N 0 0 259.349 2.714 10 30 CFEERN CCC[C@H](C)C(=O)Nc1cc(C#CCO)ccc1C ZINC000037549258 173266866 /nfs/dbraw/zinc/26/68/66/173266866.db2.gz DCRNJSMEQGWCLT-ZDUSSCGKSA-N 0 0 259.349 2.714 10 30 CFEERN O=C(Nc1ccc(C#CCCO)cc1)c1cccs1 ZINC000037549945 173267931 /nfs/dbraw/zinc/26/79/31/173267931.db2.gz FXDPFZALGCTXAV-UHFFFAOYSA-N 0 0 271.341 2.734 10 30 CFEERN N#C[C@]1(Nc2ccccc2)COc2cc(O)ccc21 ZINC000037935283 173876040 /nfs/dbraw/zinc/87/60/40/173876040.db2.gz JBEQJZAVOLLLRE-HNNXBMFYSA-N 0 0 252.273 2.616 10 30 CFEERN N#CCCN(Cc1cccnc1)c1c(F)cc(N)cc1F ZINC000038039841 174039895 /nfs/dbraw/zinc/03/98/95/174039895.db2.gz JSPFWCRRLNUVHV-UHFFFAOYSA-N 0 0 288.301 2.862 10 30 CFEERN C[C@H](C(=O)Nc1cccc(C#N)c1)n1cc(Cl)cn1 ZINC000038053479 174065295 /nfs/dbraw/zinc/06/52/95/174065295.db2.gz CSEHYDSLXGHDHD-SECBINFHSA-N 0 0 274.711 2.608 10 30 CFEERN C#CCSc1ccc(-c2ccc3c(c2)OCO3)nn1 ZINC000038718872 174153472 /nfs/dbraw/zinc/15/34/72/174153472.db2.gz GGUSPZONEODADT-UHFFFAOYSA-N 0 0 270.313 2.598 10 30 CFEERN CCN[C@@](C)(C#N)c1ccc(Br)cc1 ZINC000040176566 174201285 /nfs/dbraw/zinc/20/12/85/174201285.db2.gz YVCAUZRPZAOXPC-NSHDSACASA-N 0 0 253.143 2.797 10 30 CFEERN N#C[C@@H](NC(=O)CCOc1ccccc1)c1ccccc1 ZINC000040215259 174204518 /nfs/dbraw/zinc/20/45/18/174204518.db2.gz CKIZELWJEBCHNJ-MRXNPFEDSA-N 0 0 280.327 2.837 10 30 CFEERN COc1ccccc1Oc1nnc(C)c(C)c1C#N ZINC000040217635 174206115 /nfs/dbraw/zinc/20/61/15/174206115.db2.gz DVOYYPDUFDBTFM-UHFFFAOYSA-N 0 0 255.277 2.766 10 30 CFEERN N#CC1(NC(=O)c2ccccc2O)CCCCCC1 ZINC000040221532 174206700 /nfs/dbraw/zinc/20/67/00/174206700.db2.gz XTYCUSJXGJHAQF-UHFFFAOYSA-N 0 0 258.321 2.739 10 30 CFEERN Cc1cc(C)c(C#N)c(OCc2ccc3c(c2)OCO3)n1 ZINC000040509056 174303436 /nfs/dbraw/zinc/30/34/36/174303436.db2.gz ZFZUNFCASOLZKG-UHFFFAOYSA-N 0 0 282.299 2.878 10 30 CFEERN C=CCNc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000040597870 174349632 /nfs/dbraw/zinc/34/96/32/174349632.db2.gz LVYPOUNBRGDONM-UHFFFAOYSA-N 0 0 277.328 2.727 10 30 CFEERN C=CCNc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040598650 174349764 /nfs/dbraw/zinc/34/97/64/174349764.db2.gz DCCPIVBCUUYDSQ-UHFFFAOYSA-N 0 0 285.307 2.751 10 30 CFEERN C=CCNc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040708927 174380178 /nfs/dbraw/zinc/38/01/78/174380178.db2.gz JNNCGAJBEGNOQS-UHFFFAOYSA-N 0 0 292.346 2.949 10 30 CFEERN C=CCNc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040709085 174380930 /nfs/dbraw/zinc/38/09/30/174380930.db2.gz DUPXPHYVAZMKDY-UHFFFAOYSA-N 0 0 256.309 2.757 10 30 CFEERN N#Cc1ccc(NCCc2ccc(O)cc2)c(N)c1 ZINC000040735581 174389021 /nfs/dbraw/zinc/38/90/21/174389021.db2.gz WHWHHTNXYUADOG-UHFFFAOYSA-N 0 0 253.305 2.501 10 30 CFEERN COc1ccc(N)cc1C(=O)OCc1ccc(C#N)cc1 ZINC000041093558 174478527 /nfs/dbraw/zinc/47/85/27/174478527.db2.gz GVTFHORSUYGRMY-UHFFFAOYSA-N 0 0 282.299 2.506 10 30 CFEERN C=CCNC(=O)[C@@H](c1ccccc1)c1ccccn1 ZINC000041455982 174554391 /nfs/dbraw/zinc/55/43/91/174554391.db2.gz MWNFVGYDLQNZIM-HNNXBMFYSA-N 0 0 252.317 2.516 10 30 CFEERN N#Cc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c32)cc1 ZINC000042111477 174637892 /nfs/dbraw/zinc/63/78/92/174637892.db2.gz CFSVWHYGCULCOO-UHFFFAOYSA-N 0 0 296.713 2.941 10 30 CFEERN CC(C)N(CC(F)(F)F)c1ccc(C#N)cc1N ZINC000042741523 174862632 /nfs/dbraw/zinc/86/26/32/174862632.db2.gz PLOOYCWWLWSFEZ-UHFFFAOYSA-N 0 0 257.259 2.918 10 30 CFEERN CC1(C)C[C@H](O)c2ccc(OCCCC#N)cc2O1 ZINC000043460700 175051499 /nfs/dbraw/zinc/05/14/99/175051499.db2.gz XWGQMVXYTAHWEP-ZDUSSCGKSA-N 0 0 261.321 2.964 10 30 CFEERN C[C@H](C#N)Nc1ccc(I)cc1 ZINC000043514766 175061725 /nfs/dbraw/zinc/06/17/25/175061725.db2.gz MNZMOBGEGZSZFI-SSDOTTSWSA-N 0 0 272.089 2.615 10 30 CFEERN C[C@H](C#N)Oc1c(N)cc(Cl)cc1Br ZINC000043513244 175061743 /nfs/dbraw/zinc/06/17/43/175061743.db2.gz UDKOYTQIFDKDFR-RXMQYKEDSA-N 0 0 275.533 2.976 10 30 CFEERN CC[C@H](C#N)NCc1ccc(Br)s1 ZINC000043540597 175064094 /nfs/dbraw/zinc/06/40/94/175064094.db2.gz 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348232604 /nfs/dbraw/zinc/23/26/04/348232604.db2.gz HVMBFGBCIRANAC-AATRIKPKSA-N 0 0 274.057 2.546 10 30 CFEERN COc1cc2c(cc1CN[C@@H]1CCC[C@H]1C#N)O[C@H](C)C2 ZINC000252718387 348297481 /nfs/dbraw/zinc/29/74/81/348297481.db2.gz DWJYXIIOWAYCOR-TYNCELHUSA-N 0 0 286.375 2.800 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000300292300 348367303 /nfs/dbraw/zinc/36/73/03/348367303.db2.gz NANHSNXLIOAEMD-HRCADAONSA-N 0 0 268.360 2.600 10 30 CFEERN C[C@](O)(C=O)c1c(Cl)cccc1Br ZINC000306360858 348386866 /nfs/dbraw/zinc/38/68/66/348386866.db2.gz NNZUJZKHYFHMHE-VIFPVBQESA-N 0 0 263.518 2.509 10 30 CFEERN Cc1ccc(CC#N)c([N+](=O)[O-])c1Br ZINC000306583174 348389932 /nfs/dbraw/zinc/38/99/32/348389932.db2.gz CWZUTSKLLURASP-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN COC(=O)c1c(C#N)ccc(Cl)c1Br ZINC000306739012 348391900 /nfs/dbraw/zinc/39/19/00/348391900.db2.gz BEWCRXBFEHHIGC-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN Cc1c(CC#N)c(Br)ccc1[N+](=O)[O-] ZINC000306792834 348392736 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/nfs/dbraw/zinc/07/69/15/378076915.db2.gz GRBIHQFPRAADEU-CYBMUJFWSA-N 0 0 278.352 2.719 10 30 CFEERN Cc1ccc(S(=O)(=O)OCC[C@@H]2CCCCO2)cc1 ZINC000143078143 378242583 /nfs/dbraw/zinc/24/25/83/378242583.db2.gz ARLMEMATTRYURD-ZDUSSCGKSA-N 0 0 284.377 2.660 10 30 CFEERN C#Cc1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000158343324 378666125 /nfs/dbraw/zinc/66/61/25/378666125.db2.gz MTDWFMMROHSRMH-CRAIPNDOSA-N 0 0 298.386 2.827 10 30 CFEERN C=CCCOCCNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000161520755 378852834 /nfs/dbraw/zinc/85/28/34/378852834.db2.gz PWRYRRNXBLKLKD-CQSZACIVSA-N 0 0 290.411 2.718 10 30 CFEERN CC(C)COCCNc1nc2c(cc1C#N)CCCC2 ZINC000161609125 378859991 /nfs/dbraw/zinc/85/99/91/378859991.db2.gz HTRPSKAQGSLUOI-UHFFFAOYSA-N 0 0 273.380 2.917 10 30 CFEERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(C#N)cc2)cn1 ZINC000171449128 379311618 /nfs/dbraw/zinc/31/16/18/379311618.db2.gz SVBSREKJTQJPRO-HNNXBMFYSA-N 0 0 295.346 2.661 10 30 CFEERN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)COC ZINC000171458215 379313267 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C[C@@H](C#N)CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000182722013 381144588 /nfs/dbraw/zinc/14/45/88/381144588.db2.gz XKXYLIMMHXGNPO-AAEUAGOBSA-N 0 0 287.363 2.748 10 30 CFEERN C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCO1 ZINC000182875504 381176911 /nfs/dbraw/zinc/17/69/11/381176911.db2.gz SFMIWDDDADJROV-WFASDCNBSA-N 0 0 284.359 2.539 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000185625421 381686161 /nfs/dbraw/zinc/68/61/61/381686161.db2.gz SYLVKDOZEWSWBH-CYBMUJFWSA-N 0 0 275.396 2.728 10 30 CFEERN N#Cc1ccc(NCC2(O)CCSCC2)cc1Cl ZINC000301560822 382176933 /nfs/dbraw/zinc/17/69/33/382176933.db2.gz UNIQTPDHGMCCCI-UHFFFAOYSA-N 0 0 282.796 2.882 10 30 CFEERN CN(CCC#N)c1nccc(Oc2ccc(F)cc2)n1 ZINC000301598247 382178673 /nfs/dbraw/zinc/17/86/73/382178673.db2.gz HFBHQEKMXQUXCQ-UHFFFAOYSA-N 0 0 272.283 2.758 10 30 CFEERN N#Cc1nccnc1N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000301375064 382161604 /nfs/dbraw/zinc/16/16/04/382161604.db2.gz VORBZQMFFXIHMJ-VXGBXAGGSA-N 0 0 270.723 2.970 10 30 CFEERN C=CCO[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000302165404 382212148 /nfs/dbraw/zinc/21/21/48/382212148.db2.gz OSSWIOAHXVRNML-OAHLLOKOSA-N 0 0 283.375 2.613 10 30 CFEERN COc1ccc(OC)c(CN(C)c2ccc(C)c(C#N)n2)c1 ZINC000302660804 382284855 /nfs/dbraw/zinc/28/48/55/382284855.db2.gz OXWSVGUGJFYVTB-UHFFFAOYSA-N 0 0 297.358 2.915 10 30 CFEERN Cc1cccc(OCCNc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302670468 382287748 /nfs/dbraw/zinc/28/77/48/382287748.db2.gz DIUYTJNHMFLTSS-UHFFFAOYSA-N 0 0 298.302 2.661 10 30 CFEERN Cc1ccc([C@@H](O)CNc2c(C#N)cccc2C#N)cc1 ZINC000302824980 382327900 /nfs/dbraw/zinc/32/79/00/382327900.db2.gz GNYCRASHZRSGDV-INIZCTEOSA-N 0 0 277.327 2.884 10 30 CFEERN N#Cc1cccc(C#N)c1NCCCOCC(F)(F)F ZINC000302857393 382335418 /nfs/dbraw/zinc/33/54/18/382335418.db2.gz SLHGXEPENBDNOD-UHFFFAOYSA-N 0 0 283.253 2.811 10 30 CFEERN N#Cc1cccnc1N(CCO)Cc1cccc(Cl)c1 ZINC000302712864 382299444 /nfs/dbraw/zinc/29/94/44/382299444.db2.gz IMZBEISCSDKMEH-UHFFFAOYSA-N 0 0 287.750 2.606 10 30 CFEERN Cc1ccnc(SCc2ccc(F)c(C#CCO)c2)n1 ZINC000051332193 184565860 /nfs/dbraw/zinc/56/58/60/184565860.db2.gz GOVPMYKSCGHJMG-UHFFFAOYSA-N 0 0 288.347 2.560 10 30 CFEERN N#Cc1cc2c(nc1-n1cnc3ccccc31)CCC2 ZINC000043407337 184558649 /nfs/dbraw/zinc/55/86/49/184558649.db2.gz WWBWSYJORRTNBS-UHFFFAOYSA-N 0 0 260.300 2.781 10 30 CFEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190484396 382670570 /nfs/dbraw/zinc/67/05/70/382670570.db2.gz GHQBKWYNDAVTIR-WMLDXEAASA-N 0 0 298.386 2.888 10 30 CFEERN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191285073 382697695 /nfs/dbraw/zinc/69/76/95/382697695.db2.gz SUBVWIZZOAXYSL-HIFRSBDPSA-N 0 0 280.412 2.980 10 30 CFEERN N#Cc1ccc(N[C@@H](CO)c2ccc(Cl)c(F)c2)cn1 ZINC000092701843 184621755 /nfs/dbraw/zinc/62/17/55/184621755.db2.gz OYMLJOJTJNAPAZ-AWEZNQCLSA-N 0 0 291.713 2.891 10 30 CFEERN COC(=O)c1c(Cl)ccc(C#N)c1OC(F)F ZINC000575382413 382763011 /nfs/dbraw/zinc/76/30/11/382763011.db2.gz JPCYBSHBNPFXEI-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN COC(=O)c1ccc(Cl)c(C#N)c1OC(F)(F)F ZINC000575383077 382763114 /nfs/dbraw/zinc/76/31/14/382763114.db2.gz FSPQBRJCUCOBBS-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)Cc1c(Cl)ccc(C#N)c1OC(F)F ZINC000575382498 382763142 /nfs/dbraw/zinc/76/31/42/382763142.db2.gz QYBDGPDBMSTTPP-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1Cl ZINC000575382905 382763272 /nfs/dbraw/zinc/76/32/72/382763272.db2.gz QALVZGXIYHQRPX-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)Cc1c(Cl)cc(C#N)cc1C(F)(F)F ZINC000575383523 382763437 /nfs/dbraw/zinc/76/34/37/382763437.db2.gz YEGAGBSJSAFAFH-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1cc(C#N)c(Cl)cc1OC(F)(F)F ZINC000575383434 382763596 /nfs/dbraw/zinc/76/35/96/382763596.db2.gz VNVZQFIPDFVTLH-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)c1ccc(C(F)F)c(C#N)c1OC(F)F ZINC000575385231 382763933 /nfs/dbraw/zinc/76/39/33/382763933.db2.gz DWWNKTIJBANHTO-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1CC ZINC000575385548 382764150 /nfs/dbraw/zinc/76/41/50/382764150.db2.gz ZLLDJHRHNORWEX-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)c1cc(C(F)F)c(C#N)cc1OC(F)F ZINC000575385530 382764294 /nfs/dbraw/zinc/76/42/94/382764294.db2.gz YFULHFVDGGOCKW-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1OC(F)F ZINC000575386744 382764391 /nfs/dbraw/zinc/76/43/91/382764391.db2.gz DPABUUMYJBUADM-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(C)cc1OC(F)F ZINC000575387719 382764612 /nfs/dbraw/zinc/76/46/12/382764612.db2.gz JLFNEAQPYHUGBB-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)Cc1c(C)c(C#N)ccc1OC(F)F ZINC000575388498 382764811 /nfs/dbraw/zinc/76/48/11/382764811.db2.gz WEBLMSKTLFTKGQ-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCc1c(C(=O)OC)ccc(OC(F)(F)F)c1C#N ZINC000575388940 382765133 /nfs/dbraw/zinc/76/51/33/382765133.db2.gz LZZVZKWVUGLOFT-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(OC(F)(F)F)c(C#N)cc1C(=O)OC ZINC000575388782 382765196 /nfs/dbraw/zinc/76/51/96/382765196.db2.gz FGZQFKZEOKDEPF-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1C(F)F ZINC000575389467 382765744 /nfs/dbraw/zinc/76/57/44/382765744.db2.gz NWIMJTFPFHPZDX-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1ccc(CC(=O)OC)c(C(F)F)c1C#N ZINC000575389709 382765754 /nfs/dbraw/zinc/76/57/54/382765754.db2.gz LHGSGMOACLMAEJ-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1cc(F)cc(C(F)F)c1C#N ZINC000575389717 382765806 /nfs/dbraw/zinc/76/58/06/382765806.db2.gz LXIOZXNQSMKGLM-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc(F)c1C#N ZINC000575389696 382765842 /nfs/dbraw/zinc/76/58/42/382765842.db2.gz KBHVMUVTTHTQOL-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1cc(C#N)c(F)c(OC(F)(F)F)c1 ZINC000575390488 382766468 /nfs/dbraw/zinc/76/64/68/382766468.db2.gz PRHJTLQKTUAVLX-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(F)c1OC(F)(F)F ZINC000575390529 382766483 /nfs/dbraw/zinc/76/64/83/382766483.db2.gz UEWITXBMJHPOHH-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1C=O ZINC000575391638 382766705 /nfs/dbraw/zinc/76/67/05/382766705.db2.gz ZCPJLELEKLYZBV-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)Cc1cc(SC(F)(F)F)c(C#N)cc1O ZINC000575391988 382767278 /nfs/dbraw/zinc/76/72/78/382767278.db2.gz JTRGHGKFCQFINO-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1c(C)cc(C#N)cc1OC(F)(F)F ZINC000575394720 382768149 /nfs/dbraw/zinc/76/81/49/382768149.db2.gz MLJQHINDSTYYBT-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(OC)c1C(F)(F)F ZINC000575394408 382768200 /nfs/dbraw/zinc/76/82/00/382768200.db2.gz JZTCVGAXGVZREB-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1ccc(OC)c(C#N)c1OC(F)(F)F ZINC000575394448 382768246 /nfs/dbraw/zinc/76/82/46/382768246.db2.gz KXPBKIBMCQMMBF-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)c1cc(OC)cc(C#N)c1OC(F)(F)F ZINC000575394489 382768256 /nfs/dbraw/zinc/76/82/56/382768256.db2.gz NIWZMFOGZMVEOR-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC)cc1C(F)(F)F ZINC000575395129 382768509 /nfs/dbraw/zinc/76/85/09/382768509.db2.gz XMZFAWDNGDEDIN-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1c(C)cc(C#N)cc1C(F)(F)F ZINC000575395169 382768523 /nfs/dbraw/zinc/76/85/23/382768523.db2.gz QBOIZADFXDGURP-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)c1cc(C)c(OC(F)(F)F)c(C#N)c1 ZINC000575395048 382768555 /nfs/dbraw/zinc/76/85/55/382768555.db2.gz WLJMTFBDJXXZNN-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395871 382768939 /nfs/dbraw/zinc/76/89/39/382768939.db2.gz UEMRSNINBSZSJY-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN C=C[C@H](C)n1nc(Br)nc1Br ZINC000575451771 382772169 /nfs/dbraw/zinc/77/21/69/382772169.db2.gz PNVSZUZIRCDDPW-BYPYZUCNSA-N 0 0 280.951 2.550 10 30 CFEERN C#CCNc1cc(Cl)ccc1I ZINC000575478255 382772607 /nfs/dbraw/zinc/77/26/07/382772607.db2.gz UCVLZEGZDXLHSE-UHFFFAOYSA-N 0 0 291.519 2.990 10 30 CFEERN Cc1cc(I)cc(NCC#N)c1 ZINC000575487630 382772973 /nfs/dbraw/zinc/77/29/73/382772973.db2.gz CXQOSDPJWYYFLV-UHFFFAOYSA-N 0 0 272.089 2.535 10 30 CFEERN C[C@H]1CC[C@H]1Cn1cc(Br)c(C#N)n1 ZINC000575602123 382774904 /nfs/dbraw/zinc/77/49/04/382774904.db2.gz IVBRYSHVGSSFGA-YUMQZZPRSA-N 0 0 254.131 2.563 10 30 CFEERN COc1c(C#N)cc(CC#N)cc1OC(F)(F)F ZINC000575650894 382778373 /nfs/dbraw/zinc/77/83/73/382778373.db2.gz WONABEALNVUBMZ-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN N#CCc1c(Br)c(N)ccc1OC(F)F ZINC000575715006 382794715 /nfs/dbraw/zinc/79/47/15/382794715.db2.gz XDPWLSJYYUTCCE-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1cc(OC(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575655984 382779396 /nfs/dbraw/zinc/77/93/96/382779396.db2.gz BLFUXZCWXSZXQD-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(OC(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575656845 382779629 /nfs/dbraw/zinc/77/96/29/382779629.db2.gz GZMTUANAXGSHAI-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c(CC#N)cc(OC)cc1OC(F)F ZINC000575657061 382780012 /nfs/dbraw/zinc/78/00/12/382780012.db2.gz KOGYPUHTMUEJNG-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1cc(C=O)c(CC#N)cc1OC(F)F ZINC000575657401 382780066 /nfs/dbraw/zinc/78/00/66/382780066.db2.gz URRKTAUPIIFFEM-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1c(CC#N)ccc(OC)c1OC(F)F ZINC000575658433 382780331 /nfs/dbraw/zinc/78/03/31/382780331.db2.gz UQQQBHJLSDEAFG-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1cc(Cl)cc(N)c1I ZINC000575715541 382794845 /nfs/dbraw/zinc/79/48/45/382794845.db2.gz JKFRKFMENYHKTQ-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCc1cc(OC(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575659477 382780690 /nfs/dbraw/zinc/78/06/90/382780690.db2.gz GTDUSWZJPAHFEJ-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1c(N)cc(Cl)cc1I ZINC000575715878 382794873 /nfs/dbraw/zinc/79/48/73/382794873.db2.gz 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2.860 10 30 CFEERN CCOc1c(C#N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575670365 382783551 /nfs/dbraw/zinc/78/35/51/382783551.db2.gz GIXVTHMEOSBNRO-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1OCC ZINC000575670967 382783591 /nfs/dbraw/zinc/78/35/91/382783591.db2.gz OKFMJAGEKNBJPP-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOC(=O)Cc1c(OCC)cc(C#N)cc1OC(F)F ZINC000575670097 382783669 /nfs/dbraw/zinc/78/36/69/382783669.db2.gz DPBUCJXNIIOODB-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN N#Cc1ccc(Cl)c([N+](=O)[O-])c1Br ZINC000575676612 382784542 /nfs/dbraw/zinc/78/45/42/382784542.db2.gz CEDBHHIPFBBTMU-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COC(=O)c1ccc(-c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000216866742 382784791 /nfs/dbraw/zinc/78/47/91/382784791.db2.gz QNSOQCZOFFKMIE-UHFFFAOYSA-N 0 0 282.255 2.920 10 30 CFEERN COc1cc(C(F)(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575678804 382785318 /nfs/dbraw/zinc/78/53/18/382785318.db2.gz MBDCFDNEZPRYIZ-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1ccc(OC(F)F)c(N)c1C(F)(F)F ZINC000575716842 382795286 /nfs/dbraw/zinc/79/52/86/382795286.db2.gz GQEZNDFMAYQTFT-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1c(F)ccc(F)c1I ZINC000575694254 382789395 /nfs/dbraw/zinc/78/93/95/382789395.db2.gz FLAKJLQKEWHCRI-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN N#CCc1c(Br)cc(O)cc1Br ZINC000575693616 382789619 /nfs/dbraw/zinc/78/96/19/382789619.db2.gz BIBTUWPJDFVOCJ-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN COc1cc(C)c(I)cc1CC#N ZINC000575708064 382792656 /nfs/dbraw/zinc/79/26/56/382792656.db2.gz GZIJCXBQUBHQDK-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN COc1cc(I)cc(CC#N)c1C ZINC000575709661 382792848 /nfs/dbraw/zinc/79/28/48/382792848.db2.gz ZCCJXOOJEAOMGV-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN COc1c(C)c(CC#N)ccc1I ZINC000575708934 382793023 /nfs/dbraw/zinc/79/30/23/382793023.db2.gz PGZFRJUMXAMITE-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(OC(F)F)c(C#N)c1 ZINC000575342965 382759312 /nfs/dbraw/zinc/75/93/12/382759312.db2.gz BAVXYBCIIJZQJX-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(C#N)c(OC(F)F)c1 ZINC000575342975 382759476 /nfs/dbraw/zinc/75/94/76/382759476.db2.gz DSBDHTJSTIQERA-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1Cl ZINC000575342989 382759497 /nfs/dbraw/zinc/75/94/97/382759497.db2.gz ILJTYGVCULLIMB-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1c(C#N)cc(C(F)F)cc1OC ZINC000575343521 382759671 /nfs/dbraw/zinc/75/96/71/382759671.db2.gz DFLFSMOQWBIVSW-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1c(C)ccc(C#N)c1C(F)F ZINC000575344073 382760048 /nfs/dbraw/zinc/76/00/48/382760048.db2.gz OCXITKYQVFKVOH-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c([N+](=O)[O-])cc1C#N ZINC000575344054 382760064 /nfs/dbraw/zinc/76/00/64/382760064.db2.gz NPMJPKGBVVRRFG-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C#N)cc1C(F)F ZINC000575344189 382760101 /nfs/dbraw/zinc/76/01/01/382760101.db2.gz UFLYPWHZHGYZFL-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1c(C#N)c(C)ccc1C(F)F ZINC000575344155 382760103 /nfs/dbraw/zinc/76/01/03/382760103.db2.gz RDUJSFSLYDILGA-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)c(C#N)cc1F ZINC000575344920 382760355 /nfs/dbraw/zinc/76/03/55/382760355.db2.gz JAMPDQKOKZKJGH-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)c1cc(F)c(C(F)(F)F)cc1C#N ZINC000575345050 382760426 /nfs/dbraw/zinc/76/04/26/382760426.db2.gz RWQQWJDPLGGHBG-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CC(=O)N1C=C(Br)c2ccccc2[C@@H]1C#N ZINC000223905523 382807483 /nfs/dbraw/zinc/80/74/83/382807483.db2.gz ZFPLVTLJOFEYEZ-LBPRGKRZSA-N 0 0 277.121 2.807 10 30 CFEERN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)NO)o1 ZINC000226290464 382826018 /nfs/dbraw/zinc/82/60/18/382826018.db2.gz WLWYAMSVMKUWAY-FNORWQNLSA-N 0 0 288.259 2.682 10 30 CFEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCCC1 ZINC000235259055 382878805 /nfs/dbraw/zinc/87/88/05/382878805.db2.gz FQRHUAMAZRPXIE-SECBINFHSA-N 0 0 260.297 2.852 10 30 CFEERN C#CC(C)(C)Nc1nccc(C)c1Br ZINC000235786906 382888741 /nfs/dbraw/zinc/88/87/41/382888741.db2.gz NMQWGAJMWFNCML-UHFFFAOYSA-N 0 0 253.143 2.976 10 30 CFEERN CC(C)(C)[C@H](O)CNc1c(C#N)cnc2ccccc21 ZINC000266359152 384156915 /nfs/dbraw/zinc/15/69/15/384156915.db2.gz KLZJECMLDCYBDD-CQSZACIVSA-N 0 0 269.348 2.925 10 30 CFEERN Cc1cc(C#N)nc(N[C@@H](C)COCc2ccccc2)n1 ZINC000288331409 197053289 /nfs/dbraw/zinc/05/32/89/197053289.db2.gz JMGKXENFRGGQOK-ZDUSSCGKSA-N 0 0 282.347 2.674 10 30 CFEERN C=CCCO[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047351 260016337 /nfs/dbraw/zinc/01/63/37/260016337.db2.gz WATKWAYDDWFUIH-OLZOCXBDSA-N 0 0 263.337 2.924 10 30 CFEERN COC(=O)c1ccc(C#Cc2ccc(N)c(F)c2)cc1 ZINC000521401898 256845390 /nfs/dbraw/zinc/84/53/90/256845390.db2.gz QWVRZYZPUFHSIP-UHFFFAOYSA-N 0 0 269.275 2.594 10 30 CFEERN CSc1n[nH]c(-c2cccc([N+](=O)[O-])c2)c1C#N ZINC000001037566 169686891 /nfs/dbraw/zinc/68/68/91/169686891.db2.gz BZLTYHPMSIBXBG-UHFFFAOYSA-N 0 0 260.278 2.578 10 30 CFEERN N#CC(=CC1NN=C2CCCCCN21)C(=O)c1ccccc1 ZINC000094992705 184912716 /nfs/dbraw/zinc/91/27/16/184912716.db2.gz ZUKUIPDQLSWKND-VQCBNXJZSA-N 0 0 294.358 2.643 10 30 CFEERN C=CCN1C(=O)CS/C1=N/N=C(/C)c1ccccc1 ZINC000001504397 169710211 /nfs/dbraw/zinc/71/02/11/169710211.db2.gz URVZKTHOEIMRKY-RONYGQJDSA-N 0 0 273.361 2.528 10 30 CFEERN C=CCOc1ccccc1CNC(=O)[C@H]1CCCO[C@@H]1C ZINC000191574743 130256934 /nfs/dbraw/zinc/25/69/34/130256934.db2.gz ODTAWFGZRCWFFP-HIFRSBDPSA-N 0 0 289.375 2.683 10 30 CFEERN CN(C)c1ccc(C=CC(O)=CC(=O)C(F)(F)F)cc1 ZINC000217020666 130758328 /nfs/dbraw/zinc/75/83/28/130758328.db2.gz ANGLCYNXVUVQEP-VMPITWQZSA-N 0 0 285.265 2.856 10 30 CFEERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(C#N)cc1F ZINC000301503411 393473841 /nfs/dbraw/zinc/47/38/41/393473841.db2.gz YLCYLCMMHCTOEU-KGLIPLIRSA-N 0 0 280.368 2.756 10 30 CFEERN C=C[C@@H](C)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000306553921 393508034 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393641080 /nfs/dbraw/zinc/64/10/80/393641080.db2.gz JXENOBQPECPVTN-UHFFFAOYSA-N 0 0 255.358 2.836 10 30 CFEERN C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000193216289 393645304 /nfs/dbraw/zinc/64/53/04/393645304.db2.gz NAJCIASKZOKUAZ-GXTWGEPZSA-N 0 0 275.348 2.549 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CCC[C@H]21 ZINC000336000113 393713700 /nfs/dbraw/zinc/71/37/00/393713700.db2.gz YFKUJUFYUPGUBF-VHSXEESVSA-N 0 0 267.254 2.961 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111399677 393885645 /nfs/dbraw/zinc/88/56/45/393885645.db2.gz VAPXGBFWRJGWHE-GXTWGEPZSA-N 0 0 253.305 2.590 10 30 CFEERN C=C(Br)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000121809602 393960233 /nfs/dbraw/zinc/96/02/33/393960233.db2.gz LOIBDUSQRJKFCF-NSHDSACASA-N 0 0 270.174 2.845 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000124905001 393999491 /nfs/dbraw/zinc/99/94/91/393999491.db2.gz LMJBFNYYIAMBPB-XJKSGUPXSA-N 0 0 266.348 2.654 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)CCSc1ccccc1 ZINC000360337096 394149122 /nfs/dbraw/zinc/14/91/22/394149122.db2.gz LFIGRLMRYFPSJF-TZMCWYRMSA-N 0 0 274.389 2.977 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)N2CCC(C#N)CC2)o1 ZINC000144225055 394247211 /nfs/dbraw/zinc/24/72/11/394247211.db2.gz PVGWWQMPEDABSF-LLVKDONJSA-N 0 0 261.325 2.594 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 ZINC000152117637 394271382 /nfs/dbraw/zinc/27/13/82/394271382.db2.gz UFEPYOGCBCNSGV-PRHODGIISA-N 0 0 296.273 2.666 10 30 CFEERN N#Cc1ccccc1N1C(=O)CC2(CCCC2)CC1=O ZINC000040216284 134857569 /nfs/dbraw/zinc/85/75/69/134857569.db2.gz VUPDTTYUBMKUCI-UHFFFAOYSA-N 0 0 268.316 2.772 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000178562210 394389567 /nfs/dbraw/zinc/38/95/67/394389567.db2.gz KEFADMAHKDSPAV-RISCZKNCSA-N 0 0 273.336 2.556 10 30 CFEERN C=C(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000231227271 543000457 /nfs/dbraw/zinc/00/04/57/543000457.db2.gz OWPMFBOHCOUZQU-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1CO 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C[C@H]1CN(Cc2cccc(C#N)c2F)CCS1 ZINC000223532680 524623434 /nfs/dbraw/zinc/62/34/34/524623434.db2.gz AOAUBGQNSVOGPR-JTQLQIEISA-N 0 0 250.342 2.635 10 30 CFEERN COc1ccccc1OCc1ccc(C#CCO)cc1 ZINC000049620500 524686299 /nfs/dbraw/zinc/68/62/99/524686299.db2.gz LSFVCJHPIGLYOD-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN C[C@H](NC(=O)C(C)(C)C)c1cccc(C#CCCO)c1 ZINC000049589635 524895987 /nfs/dbraw/zinc/89/59/87/524895987.db2.gz KJAYLEBGFORXRZ-ZDUSSCGKSA-N 0 0 273.376 2.644 10 30 CFEERN Cc1ccc(N)c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000053000438 524904190 /nfs/dbraw/zinc/90/41/90/524904190.db2.gz TYKZIMCFHTXGQN-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN C[C@](O)(CNc1ccccc1C#N)c1ccccc1 ZINC000052097452 525181208 /nfs/dbraw/zinc/18/12/08/525181208.db2.gz XWSUSKOGOIKUMQ-INIZCTEOSA-N 0 0 252.317 2.878 10 30 CFEERN Cc1ccccc1OCc1ccccc1C#CCO ZINC000049620355 525316891 /nfs/dbraw/zinc/31/68/91/525316891.db2.gz PEIWRVMWGIYJFE-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN Cc1cc(Oc2ccc(CCO)cc2)c(C#N)c(C)n1 ZINC000157308051 525384251 /nfs/dbraw/zinc/38/42/51/525384251.db2.gz NZXJCZHBJIJGBK-UHFFFAOYSA-N 0 0 268.316 2.897 10 30 CFEERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1C#CCCO ZINC000050568466 525636934 /nfs/dbraw/zinc/63/69/34/525636934.db2.gz IBTYSPICAWEPNK-LSDHHAIUSA-N 0 0 285.387 2.681 10 30 CFEERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CCCO)s1 ZINC000050568483 525637275 /nfs/dbraw/zinc/63/72/75/525637275.db2.gz IBHITSYRNJDRHH-QWHCGFSZSA-N 0 0 291.416 2.743 10 30 CFEERN C[C@H](Nc1cc(Cl)ccc1C#N)c1nncn1C ZINC000062785563 525645111 /nfs/dbraw/zinc/64/51/11/525645111.db2.gz PCMJHMUIDWAMCY-QMMMGPOBSA-N 0 0 261.716 2.513 10 30 CFEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)s2)o1 ZINC000230337179 525739338 /nfs/dbraw/zinc/73/93/38/525739338.db2.gz UJPSQBAZEQEFKC-SECBINFHSA-N 0 0 296.373 2.561 10 30 CFEERN Cc1cnc([C@H](C)NCc2ccc(C#N)c(F)c2)o1 ZINC000361763757 526157676 /nfs/dbraw/zinc/15/76/76/526157676.db2.gz GASFOJYJVRHVHT-JTQLQIEISA-N 0 0 259.284 2.845 10 30 CFEERN Cc1cc(C#N)nc(Nc2ccc(F)c(F)c2F)n1 ZINC000049657945 526197266 /nfs/dbraw/zinc/19/72/66/526197266.db2.gz YWDXTJGEBPICDT-UHFFFAOYSA-N 0 0 264.210 2.818 10 30 CFEERN Cc1csc([C@H]2CN(Cc3ccccc3C#N)CCO2)n1 ZINC000157068704 526444988 /nfs/dbraw/zinc/44/49/88/526444988.db2.gz IWWHYHZBGLDTKB-OAHLLOKOSA-N 0 0 299.399 2.897 10 30 CFEERN N#C[C@H](NCc1cccs1)c1ccc2c(c1)OCO2 ZINC000054347435 526509606 /nfs/dbraw/zinc/50/96/06/526509606.db2.gz RLVHDHDKRVNRSA-LBPRGKRZSA-N 0 0 272.329 2.831 10 30 CFEERN N#C[C@H](c1ccc2c(c1)OCCO2)N1CCCCC1 ZINC000049786131 526511392 /nfs/dbraw/zinc/51/13/92/526511392.db2.gz ZTZRJFGKMHQKPL-CYBMUJFWSA-N 0 0 258.321 2.508 10 30 CFEERN N#C[C@](N)(COCC1CCCCC1)c1ccccc1 ZINC000052156868 526514256 /nfs/dbraw/zinc/51/42/56/526514256.db2.gz WYDUPSKMNSSEDJ-INIZCTEOSA-N 0 0 258.365 2.961 10 30 CFEERN N#Cc1ccc(CNc2nc(Cl)nc(Cl)n2)cc1 ZINC000061519152 526629569 /nfs/dbraw/zinc/62/95/69/526629569.db2.gz NDXNIUIPYZXCBO-UHFFFAOYSA-N 0 0 280.118 2.662 10 30 CFEERN Cc1nc(C(=O)Nc2ccccc2[C@H](C)O)ccc1C#N ZINC000049549642 526658239 /nfs/dbraw/zinc/65/82/39/526658239.db2.gz NRGQXKJCWGUIQW-NSHDSACASA-N 0 0 281.315 2.567 10 30 CFEERN N#Cc1ccc(OCc2cc([N+](=O)[O-])ccc2N)cc1 ZINC000050831096 526677547 /nfs/dbraw/zinc/67/75/47/526677547.db2.gz YDOCONJRZSQJEM-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000185517898 526695895 /nfs/dbraw/zinc/69/58/95/526695895.db2.gz HURFFKLFSOFDFO-VXGBXAGGSA-N 0 0 280.393 2.645 10 30 CFEERN N#Cc1ncccc1CNCc1ccc(F)cc1F ZINC000061658774 526790608 /nfs/dbraw/zinc/79/06/08/526790608.db2.gz CLKJPNFCQKHSHS-UHFFFAOYSA-N 0 0 259.259 2.521 10 30 CFEERN N#Cc1ncccc1COc1cc(Cl)ccc1N ZINC000061656332 526791001 /nfs/dbraw/zinc/79/10/01/526791001.db2.gz PUQUTSVUESBXLY-UHFFFAOYSA-N 0 0 259.696 2.768 10 30 CFEERN Cc1occc1CN(C)Cc1ccc(C#CCO)cc1F ZINC000049614951 526822599 /nfs/dbraw/zinc/82/25/99/526822599.db2.gz HSPFHTNDPFVRKA-UHFFFAOYSA-N 0 0 287.334 2.703 10 30 CFEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000330232227 526836489 /nfs/dbraw/zinc/83/64/89/526836489.db2.gz RKMDXWNEYUAWBT-QJPTWQEYSA-N 0 0 264.325 2.982 10 30 CFEERN Cc1nc(CNc2ccc(C#N)cc2[N+](=O)[O-])oc1C ZINC000048837322 526897844 /nfs/dbraw/zinc/89/78/44/526897844.db2.gz VGBFKQNMBFNACU-UHFFFAOYSA-N 0 0 272.264 2.683 10 30 CFEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1ccoc1 ZINC000061691747 527102693 /nfs/dbraw/zinc/10/26/93/527102693.db2.gz YDXHHUZBQGHYHY-UHFFFAOYSA-N 0 0 289.718 2.919 10 30 CFEERN O=C(C=Cc1ccc(F)c(Cl)c1)Nc1nc[nH]n1 ZINC000058386756 527504188 /nfs/dbraw/zinc/50/41/88/527504188.db2.gz HZZNFSLJYUNWNH-DUXPYHPUSA-N 0 0 266.663 2.899 10 30 CFEERN OCC#Cc1cc(COCc2ccccc2)ccc1F ZINC000049619899 527517509 /nfs/dbraw/zinc/51/75/09/527517509.db2.gz IEESUNXDRDNWGO-UHFFFAOYSA-N 0 0 270.303 2.886 10 30 CFEERN OCC#Cc1cc(F)ccc1COc1ccccc1 ZINC000049620425 527517783 /nfs/dbraw/zinc/51/77/83/527517783.db2.gz GDLCFOKHLYKGLA-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN OCC#Cc1cc(F)ccc1COCc1ccccc1 ZINC000049619897 527517936 /nfs/dbraw/zinc/51/79/36/527517936.db2.gz ISTTVRRFTYMDNR-UHFFFAOYSA-N 0 0 270.303 2.886 10 30 CFEERN OCC#Cc1cccc(OCCOC2CCCCC2)c1 ZINC000049619816 527520462 /nfs/dbraw/zinc/52/04/62/527520462.db2.gz AALIMMLUXZAXFG-UHFFFAOYSA-N 0 0 274.360 2.759 10 30 CFEERN OCCC#Cc1cccc(CN2Cc3ccccc3C2)c1 ZINC000050911933 527531215 /nfs/dbraw/zinc/53/12/15/527531215.db2.gz GLCCHPWUOACPBW-UHFFFAOYSA-N 0 0 277.367 2.936 10 30 CFEERN OCCC#Cc1ccc(Cn2ncc3ccccc32)cc1 ZINC000050527436 527531729 /nfs/dbraw/zinc/53/17/29/527531729.db2.gz TYWRLXCKWPZGNR-UHFFFAOYSA-N 0 0 276.339 2.819 10 30 CFEERN Cc1nn(-c2nc(C)ccc2C#N)c(C)c1Br ZINC000050593173 527568620 /nfs/dbraw/zinc/56/86/20/527568620.db2.gz GOPZEYMLXLKMPO-UHFFFAOYSA-N 0 0 291.152 2.827 10 30 CFEERN Cc1nn(-c2nc3c(cc2C#N)CCC3)c(C)c1Cl ZINC000050586597 527570269 /nfs/dbraw/zinc/57/02/69/527570269.db2.gz VBHSPGNEGVMYNV-UHFFFAOYSA-N 0 0 272.739 2.898 10 30 CFEERN CC1(C)C[C@H](NC(=O)NCCC2CCOCC2)C(C)(C)O1 ZINC000329256236 527729959 /nfs/dbraw/zinc/72/99/59/527729959.db2.gz XMASRDNOJBWMPF-ZDUSSCGKSA-N 0 0 298.427 2.653 10 30 CFEERN CC(C)n1nnnc1CSCc1ccccc1C#N ZINC000176893483 528702695 /nfs/dbraw/zinc/70/26/95/528702695.db2.gz MNFFNHGIJJUQPD-UHFFFAOYSA-N 0 0 273.365 2.559 10 30 CFEERN CCc1cc(C#N)c(NC(=O)[C@H]2CCCO[C@H]2C)s1 ZINC000191882415 536097435 /nfs/dbraw/zinc/09/74/35/536097435.db2.gz VHTHPXPMNNMNQG-CABZTGNLSA-N 0 0 278.377 2.936 10 30 CFEERN CC[C@@]1(c2cccc(Br)c2)O[C@@H]1C(=O)OC ZINC000233973919 570411902 /nfs/dbraw/zinc/41/19/02/570411902.db2.gz CFLWXYKNCLNTBA-PWSUYJOCSA-N 0 0 285.137 2.626 10 30 CFEERN CCOc1ccccc1[C@@H](C)OC(=O)CSCC#N ZINC000064794476 617624098 /nfs/dbraw/zinc/62/40/98/617624098.db2.gz PSIKFZPTXUHXNJ-LLVKDONJSA-N 0 0 279.361 2.946 10 30 CFEERN C[C@H](OC(=O)c1cc(C#N)cn1C)c1nc2ccccc2[nH]1 ZINC000176120377 617792501 /nfs/dbraw/zinc/79/25/01/617792501.db2.gz ZJGMUXUQKYEFIP-JTQLQIEISA-N 0 0 294.314 2.691 10 30 CFEERN N#C[C@H](COC(=O)[C@@H]1C[C@@H]1C1CC1)Cc1ccccc1 ZINC000176192904 617868797 /nfs/dbraw/zinc/86/87/97/617868797.db2.gz SMCXVAIVNIHBFR-FVQBIDKESA-N 0 0 269.344 2.958 10 30 CFEERN COC(=O)c1ccccc1N(C)Cc1cccc(C#N)c1 ZINC000049857634 617998343 /nfs/dbraw/zinc/99/83/43/617998343.db2.gz NPYURLDEPUTBTJ-UHFFFAOYSA-N 0 0 280.327 2.981 10 30 CFEERN C[C@H](C#N)NC(=O)c1cnc(Cl)c2ccccc12 ZINC000235194951 618156285 /nfs/dbraw/zinc/15/62/85/618156285.db2.gz YYVQRDIGZYIIPT-MRVPVSSYSA-N 0 0 259.696 2.530 10 30 CFEERN C#CCOc1ccccc1OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000177265037 618387310 /nfs/dbraw/zinc/38/73/10/618387310.db2.gz BSNCWKLNFDFEFM-STQMWFEESA-N 0 0 256.301 2.650 10 30 CFEERN CC(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094336398 619109578 /nfs/dbraw/zinc/10/95/78/619109578.db2.gz VXKPBZBPSFJFOJ-LLVKDONJSA-N 0 0 297.280 2.777 10 30 CFEERN COc1ccc2nc(Cl)c(C(=O)N[C@H](C)C#N)cc2c1 ZINC000151115963 622835545 /nfs/dbraw/zinc/83/55/45/622835545.db2.gz MDNKWFUWPMXTII-MRVPVSSYSA-N 0 0 289.722 2.539 10 30 CFEERN N#Cc1cnc2ccc(F)cc2c1NCCCn1ccnc1 ZINC000223150711 622980675 /nfs/dbraw/zinc/98/06/75/622980675.db2.gz UGULEEOJIQPPDG-UHFFFAOYSA-N 0 0 295.321 2.944 10 30 CFEERN C=CCOC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000058800844 623064618 /nfs/dbraw/zinc/06/46/18/623064618.db2.gz FZPCSMHWQQDBLB-CYBMUJFWSA-N 0 0 295.766 2.824 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061890266 623239848 /nfs/dbraw/zinc/23/98/48/623239848.db2.gz MBSXGPTZHKJCDG-LDYMZIIASA-N 0 0 293.710 2.670 10 30 CFEERN N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000061892881 623240244 /nfs/dbraw/zinc/24/02/44/623240244.db2.gz QBCOGWRAEPDADM-JOYOIKCWSA-N 0 0 295.180 2.937 10 30 CFEERN COC1CC(Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000230593052 623284985 /nfs/dbraw/zinc/28/49/85/623284985.db2.gz FCQVEZUCXMDVNB-UHFFFAOYSA-N 0 0 271.242 2.561 10 30 CFEERN COC1CC(Nc2c(C#N)cnc3ccccc32)C1 ZINC000230596898 623285590 /nfs/dbraw/zinc/28/55/90/623285590.db2.gz LCZHWRUCGYXNIF-UHFFFAOYSA-N 0 0 253.305 2.696 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1occc1Br ZINC000230686744 623294007 /nfs/dbraw/zinc/29/40/07/623294007.db2.gz FQUDBCJIMDUIDM-PSASIEDQSA-N 0 0 269.142 2.824 10 30 CFEERN C#Cc1cccc(N(C(=O)[C@@H]2CC[C@H](C)O2)C(C)C)c1 ZINC000154754346 624451383 /nfs/dbraw/zinc/45/13/83/624451383.db2.gz KHJKYJUIOUVGGK-BBRMVZONSA-N 0 0 271.360 2.977 10 30 CFEERN CCCCCCCCCNC(=O)N1CCC[C@H]1C(=O)NC ZINC000155197558 624687898 /nfs/dbraw/zinc/68/78/98/624687898.db2.gz ZXNAGSLBQXDNOU-AWEZNQCLSA-N 0 0 297.443 2.657 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000186016863 625818878 /nfs/dbraw/zinc/81/88/78/625818878.db2.gz SVLDJSKIZHIXCB-SLEUVZQESA-N 0 0 256.349 2.946 10 30 CFEERN C#CCOCCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000161542124 626177679 /nfs/dbraw/zinc/17/76/79/626177679.db2.gz IMUGMWLJKCASQN-QGZVFWFLSA-N 0 0 285.387 2.856 10 30 CFEERN Cc1cc(Br)cc2c1NC(=O)[C@@H]2S ZINC000757161101 630871743 /nfs/dbraw/zinc/87/17/43/630871743.db2.gz XAJNFMZTNBGRLQ-MRVPVSSYSA-N 0 0 258.140 2.681 10 30 CFEERN C=CCOc1ccc(OC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000158024949 650220555 /nfs/dbraw/zinc/22/05/55/650220555.db2.gz VBRSAIKZVNOUFH-BXUZGUMPSA-N 0 0 262.305 2.724 10 30 CFEERN N#C[C@@H](C(=O)Cc1cccc(F)c1)c1ccccn1 ZINC000046705803 650221408 /nfs/dbraw/zinc/22/14/08/650221408.db2.gz HHIWPHRCARBSNF-CYBMUJFWSA-N 0 0 254.264 2.640 10 30 CFEERN C=CC[C@@H](C)NS(=O)(=O)/C=C/c1ccccc1 ZINC000116905862 636655613 /nfs/dbraw/zinc/65/56/13/636655613.db2.gz APDNBBARYATZBK-HCRIHEDKSA-N 0 0 251.351 2.541 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ncc1Cl ZINC000129305795 645147644 /nfs/dbraw/zinc/14/76/44/645147644.db2.gz GNUKBXDYASPSAX-OIBJUYFYSA-N 0 0 284.146 2.810 10 30 CFEERN N#Cc1cc(F)c(-c2nnc([C@@H]3CCCOC3)o2)c(F)c1 ZINC000886084584 646860114 /nfs/dbraw/zinc/86/01/14/646860114.db2.gz MLRPUFGOSCLIRG-SECBINFHSA-N 0 0 291.257 2.780 10 30 CFEERN CN(C)/C=N/c1nc(C(Cl)(Cl)Cl)ns1 ZINC000002570339 169811082 /nfs/dbraw/zinc/81/10/82/169811082.db2.gz WFJHGUGVUSLMIQ-XCVCLJGOSA-N 0 0 273.576 2.586 10 30 CFEERN N#Cc1c(Cl)nc2cc(Br)ccn12 ZINC000082694884 178190642 /nfs/dbraw/zinc/19/06/42/178190642.db2.gz JNZYQLFMRVPRCN-UHFFFAOYSA-N 0 0 256.490 2.622 10 30 CFEERN N#Cc1cnc(NCc2ccnc3ccccc23)cn1 ZINC000126330325 187233074 /nfs/dbraw/zinc/23/30/74/187233074.db2.gz QKTCTNPQUJEYBD-UHFFFAOYSA-N 0 0 261.288 2.509 10 30 CFEERN C=CCN1c2ccc(NC(=O)CCC)cc2O[C@H](C)C1=O ZINC000012295949 136378782 /nfs/dbraw/zinc/37/87/82/136378782.db2.gz HBPKZMOGVIYNRP-LLVKDONJSA-N 0 0 288.347 2.725 10 30 CFEERN C=CCN1c2cc(NC(=O)C(C)C)ccc2O[C@@H](C)C1=O ZINC000012118657 136378808 /nfs/dbraw/zinc/37/88/08/136378808.db2.gz UHJIFWLJDCODOG-NSHDSACASA-N 0 0 288.347 2.581 10 30 CFEERN C[C@]1(CO)CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000132831861 136389907 /nfs/dbraw/zinc/38/99/07/136389907.db2.gz PZSZMCIHEZGRNI-AWEZNQCLSA-N 0 0 264.756 2.810 10 30 CFEERN O=C(NO)c1cc(Cl)c(Br)c(Cl)c1 ZINC000226289804 295702588 /nfs/dbraw/zinc/70/25/88/295702588.db2.gz HKBUTWDDQJWYER-UHFFFAOYSA-N 0 0 284.924 2.875 10 30 CFEERN N#Cc1cnc(N[C@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000127412870 187304012 /nfs/dbraw/zinc/30/40/12/187304012.db2.gz GZXVRCHARCTHGC-GFCCVEGCSA-N 0 0 292.264 2.934 10 30 CFEERN C#CC(=O)CSc1cccc(Br)c1 ZINC000085219410 178979878 /nfs/dbraw/zinc/97/98/78/178979878.db2.gz PNJWJZMLIXTIPO-UHFFFAOYSA-N 0 0 255.136 2.744 10 30 CFEERN C=CCOCC(CC)(COCC=C)COC(=O)C(=C)C ZINC000005460613 346211162 /nfs/dbraw/zinc/21/11/62/346211162.db2.gz DDZCXKJJOQTKQP-UHFFFAOYSA-N 0 0 282.380 2.907 10 30 CFEERN CN(C)[C@@H](C#N)c1cc(Br)ccc1F ZINC000037354910 346328767 /nfs/dbraw/zinc/32/87/67/346328767.db2.gz JRPUWMXKUGFOMU-JTQLQIEISA-N 0 0 257.106 2.714 10 30 CFEERN C[C@@H](C#N)CNc1ccc(I)cc1 ZINC000036668920 346323504 /nfs/dbraw/zinc/32/35/04/346323504.db2.gz ULEWBQMYAHLMNH-QMMMGPOBSA-N 0 0 286.116 2.863 10 30 CFEERN CCCCCCCCCC(=O)[C@H]1O[C@H]1C(=O)N(C)C ZINC000043967940 346388729 /nfs/dbraw/zinc/38/87/29/346388729.db2.gz GIVBICLTPXNRPH-ZIAGYGMSSA-N 0 0 269.385 2.552 10 30 CFEERN COC(=O)c1ccc(NC(=O)C/N=C/CC(C)(C)C)cc1 ZINC000114333034 347771290 /nfs/dbraw/zinc/77/12/90/347771290.db2.gz SQKCKYMTCYTWAM-LICLKQGHSA-N 0 0 290.363 2.919 10 30 CFEERN N#Cc1ccc(-c2cc(N3CCCCC3)nc(N)n2)cc1F ZINC000115839941 347782243 /nfs/dbraw/zinc/78/22/43/347782243.db2.gz JUZYCBZLDACSOX-UHFFFAOYSA-N 0 0 297.337 2.727 10 30 CFEERN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C#N)cn1 ZINC000107433468 347735673 /nfs/dbraw/zinc/73/56/73/347735673.db2.gz ZSZFSKGOAZLTIA-GFCCVEGCSA-N 0 0 265.316 2.753 10 30 CFEERN C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)CO1 ZINC000115606468 347780536 /nfs/dbraw/zinc/78/05/36/347780536.db2.gz RUKXTOPGAGVDRL-LLVKDONJSA-N 0 0 262.227 2.891 10 30 CFEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000111275861 347752945 /nfs/dbraw/zinc/75/29/45/347752945.db2.gz VGPLKUSIPRJCHF-SECBINFHSA-N 0 0 257.318 2.506 10 30 CFEERN CCCCCCCCCCn1ccc(=O)[nH]c1=O ZINC000111548134 347755106 /nfs/dbraw/zinc/75/51/06/347755106.db2.gz SEFRTTQATJLFLL-UHFFFAOYSA-N 0 0 252.358 2.677 10 30 CFEERN COc1ccccc1NC(=NC#N)Oc1ccccc1 ZINC000117993091 347795285 /nfs/dbraw/zinc/79/52/85/347795285.db2.gz USTFUYCZIUTHML-UHFFFAOYSA-N 0 0 267.288 2.832 10 30 CFEERN O=C1CCCCN1Cc1ccc(C#Cc2ccccc2)cn1 ZINC000116750058 347788548 /nfs/dbraw/zinc/78/85/48/347788548.db2.gz PQOYSAIYMOZVHA-UHFFFAOYSA-N 0 0 290.366 2.994 10 30 CFEERN CO[C@@]1(C#N)CCc2cc(Br)ccc21 ZINC000128023421 347847239 /nfs/dbraw/zinc/84/72/39/347847239.db2.gz QGHBHPBUCXCSHW-LLVKDONJSA-N 0 0 252.111 2.761 10 30 CFEERN C#CC[C@@H](NN)c1cc(Br)ccc1Cl ZINC000126634267 347836621 /nfs/dbraw/zinc/83/66/21/347836621.db2.gz LDIDQBRDIKDZTP-SNVBAGLBSA-N 0 0 273.561 2.630 10 30 CFEERN CC1CN(c2ccc(Br)cc2C#N)C1 ZINC000132728937 347886830 /nfs/dbraw/zinc/88/68/30/347886830.db2.gz TYFDTZADMQUQMK-UHFFFAOYSA-N 0 0 251.127 2.777 10 30 CFEERN C[C@]1(c2ccc(Br)o2)CC(=O)C=CO1 ZINC000131854742 347881586 /nfs/dbraw/zinc/88/15/86/347881586.db2.gz XNUQRMDKBRBWAS-SNVBAGLBSA-N 0 0 257.083 2.760 10 30 CFEERN CN[C@@](C)(C#N)c1ccc(Br)cc1F ZINC000131936056 347882266 /nfs/dbraw/zinc/88/22/66/347882266.db2.gz FGBYHPPVXHIAAY-JTQLQIEISA-N 0 0 257.106 2.546 10 30 CFEERN C=CCN(C(=O)C(=O)OC)c1ccccc1C(C)(C)C ZINC000142105353 347932392 /nfs/dbraw/zinc/93/23/92/347932392.db2.gz JYZOFGRNBADICS-UHFFFAOYSA-N 0 0 275.348 2.676 10 30 CFEERN C=CCN(CC(=O)c1cccnc1)C(=O)OC(C)(C)C ZINC000142805015 347935469 /nfs/dbraw/zinc/93/54/69/347935469.db2.gz BELYXJBTRGEAJY-UHFFFAOYSA-N 0 0 276.336 2.687 10 30 CFEERN CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)N1 ZINC000144011910 347939201 /nfs/dbraw/zinc/93/92/01/347939201.db2.gz TUQKPEKCBXAHHP-UHFFFAOYSA-N 0 0 291.354 2.790 10 30 CFEERN O=C1C=C(NC2CCCCC2)c2ccccc2C1=O ZINC000137188391 347913035 /nfs/dbraw/zinc/91/30/35/347913035.db2.gz GXRAKMOJBSKOGJ-UHFFFAOYSA-N 0 0 255.317 2.715 10 30 CFEERN N#Cc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000138814776 347917513 /nfs/dbraw/zinc/91/75/13/347917513.db2.gz SOXQRGBTLAZCNC-UHFFFAOYSA-N 0 0 267.244 2.719 10 30 CFEERN N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)nc1 ZINC000153156983 347972121 /nfs/dbraw/zinc/97/21/21/347972121.db2.gz FIEMPWXXGQOTFZ-HNNXBMFYSA-N 0 0 295.317 2.900 10 30 CFEERN CC(C)(C)[S@](=O)N[C@@](C)(C#N)COCc1ccccc1 ZINC000146307665 347945250 /nfs/dbraw/zinc/94/52/50/347945250.db2.gz DEXJMRNYBGYWGO-MGPUTAFESA-N 0 0 294.420 2.537 10 30 CFEERN CC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000086780308 179329682 /nfs/dbraw/zinc/32/96/82/179329682.db2.gz ZLVFRIMMZNZQAA-BLLLJJGKSA-N 0 0 272.348 2.806 10 30 CFEERN CO[C@@]1(c2ccc(C)cc2)CC[C@@H](OS(C)(=O)=O)CC1 ZINC000146969695 347946374 /nfs/dbraw/zinc/94/63/74/347946374.db2.gz FMUJCLIXWPBSFW-SHTZXODSSA-N 0 0 298.404 2.756 10 30 CFEERN N#Cc1ccc2[nH]c(Cc3nc4cc(C#N)ccc4[nH]3)nc2c1 ZINC000147858504 347948759 /nfs/dbraw/zinc/94/87/59/347948759.db2.gz NRFBBLUILPGPRY-UHFFFAOYSA-N 0 0 298.309 2.773 10 30 CFEERN CC(=O)[C@H](C)Oc1ccc(Br)cc1C#N ZINC000157513827 348000833 /nfs/dbraw/zinc/00/08/33/348000833.db2.gz NWAGHQDALQKMAU-QMMMGPOBSA-N 0 0 268.110 2.677 10 30 CFEERN CC[C@H](C#N)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000160818843 348021245 /nfs/dbraw/zinc/02/12/45/348021245.db2.gz LJULYBYCJUFWGQ-CQSZACIVSA-N 0 0 294.420 2.809 10 30 CFEERN O=CCCSCCCOCCc1ccccc1 ZINC000165192340 348038826 /nfs/dbraw/zinc/03/88/26/348038826.db2.gz PLZRFVKFOLOPTI-UHFFFAOYSA-N 0 0 252.379 2.958 10 30 CFEERN N#Cc1nnc2c(Br)cccc2c1Cl ZINC000167245755 348045363 /nfs/dbraw/zinc/04/53/63/348045363.db2.gz SYGMLWILFGVSCV-UHFFFAOYSA-N 0 0 268.501 2.917 10 30 CFEERN N#Cc1ccc(OCC(F)F)c(Br)c1 ZINC000169190531 348049785 /nfs/dbraw/zinc/04/97/85/348049785.db2.gz JZDYVYYKTFWUMV-UHFFFAOYSA-N 0 0 262.053 2.965 10 30 CFEERN COc1ccc(/C(=C\N(C)C)C(=O)c2ccncc2)cc1 ZINC000201900878 348153799 /nfs/dbraw/zinc/15/37/99/348153799.db2.gz KSAPRCRCOQPKCC-FOWTUZBSSA-N 0 0 282.343 2.876 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@@H]2CCCOCC2)cc1 ZINC000086873811 179364482 /nfs/dbraw/zinc/36/44/82/179364482.db2.gz QMEFCHFWBRAUCA-CQSZACIVSA-N 0 0 274.364 2.583 10 30 CFEERN C=C[C@@](C)(O)c1ccc(I)cc1 ZINC000235418015 348227186 /nfs/dbraw/zinc/22/71/86/348227186.db2.gz MQXWFMDOLIRHIL-SNVBAGLBSA-N 0 0 274.101 2.685 10 30 CFEERN Cc1cccc(C(=O)[C@@H](C)C#N)c1I ZINC000235072646 348224360 /nfs/dbraw/zinc/22/43/60/348224360.db2.gz HYQZFNHRMBBGIT-QMMMGPOBSA-N 0 0 299.111 2.942 10 30 CFEERN C#C[C@@H](C)Oc1ccc(Br)cc1C=O ZINC000235259445 348225868 /nfs/dbraw/zinc/22/58/68/348225868.db2.gz KKEGUBVGIGKTKD-MRVPVSSYSA-N 0 0 253.095 2.662 10 30 CFEERN C=C[C@H](C)Nc1ncnc(Cl)c1Br ZINC000229319413 348200710 /nfs/dbraw/zinc/20/07/10/348200710.db2.gz OUZRRRILVRAKLB-YFKPBYRVSA-N 0 0 262.538 2.879 10 30 CFEERN CC#CCCNc1nc(Cl)ncc1Br ZINC000229331339 348200841 /nfs/dbraw/zinc/20/08/41/348200841.db2.gz PJGDVBBDDYFZED-UHFFFAOYSA-N 0 0 274.549 2.718 10 30 CFEERN C=C[C@@H](C)Nc1ccc(N)cc1I ZINC000229314683 348201121 /nfs/dbraw/zinc/20/11/21/348201121.db2.gz RDLXWUSUHVTZLD-SSDOTTSWSA-N 0 0 288.132 2.860 10 30 CFEERN C[C@H](C=O)Cc1ccc(I)cc1 ZINC000238407378 348245490 /nfs/dbraw/zinc/24/54/90/348245490.db2.gz SVKDQRFNKXIRQN-QMMMGPOBSA-N 0 0 274.101 2.669 10 30 CFEERN C=C[C@@H](N[C@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000301052786 348371395 /nfs/dbraw/zinc/37/13/95/348371395.db2.gz WWAPAKKYWAQPCL-HTQZYQBOSA-N 0 0 259.758 2.780 10 30 CFEERN C=C(CC)CNc1cc(Br)nc(C)n1 ZINC000306182363 348384337 /nfs/dbraw/zinc/38/43/37/348384337.db2.gz XCLWVSZKRSQZCH-UHFFFAOYSA-N 0 0 256.147 2.926 10 30 CFEERN COC(=O)c1cc(Br)cc(Cl)c1C#N ZINC000306237230 348385280 /nfs/dbraw/zinc/38/52/80/348385280.db2.gz LQDDZOHXPLBBIL-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN O=C[C@@H]1CC[C@H](c2ccccc2Br)O1 ZINC000306238543 348385378 /nfs/dbraw/zinc/38/53/78/348385378.db2.gz JDMLBCWWNMDUKB-GZMMTYOYSA-N 0 0 255.111 2.868 10 30 CFEERN COC(=O)c1cc(C#N)cc(Br)c1Cl ZINC000306373028 348387349 /nfs/dbraw/zinc/38/73/49/348387349.db2.gz NHQILOOEAJAILT-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN COC(=O)c1cc(Br)cc(C#N)c1Cl ZINC000306826522 348393189 /nfs/dbraw/zinc/39/31/89/348393189.db2.gz ZPTRURGUACRWAV-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN N#Cc1c(Br)ccnc1C(F)(F)F ZINC000306819604 348393337 /nfs/dbraw/zinc/39/33/37/348393337.db2.gz HFUVUUOEXVVTSH-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN Cc1c(CC#N)cc(Br)cc1[N+](=O)[O-] ZINC000307114059 348395866 /nfs/dbraw/zinc/39/58/66/348395866.db2.gz SAVNWKLFEXRDFM-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN Cc1cc(Br)cc(CC#N)c1[N+](=O)[O-] ZINC000307090382 348395927 /nfs/dbraw/zinc/39/59/27/348395927.db2.gz WHFLZPYZRGQRDE-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN CC(C)(C=O)Oc1ccc(Br)c(F)c1 ZINC000307162592 348396756 /nfs/dbraw/zinc/39/67/56/348396756.db2.gz LKWZVGWIBZWRDU-UHFFFAOYSA-N 0 0 261.090 2.945 10 30 CFEERN CC(C)[C@@H](NC(=O)C#CBr)c1cccs1 ZINC000307148410 348396833 /nfs/dbraw/zinc/39/68/33/348396833.db2.gz PHUPZSYGBCIXTP-LLVKDONJSA-N 0 0 286.194 2.917 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000335757703 348449761 /nfs/dbraw/zinc/44/97/61/348449761.db2.gz MDEPQPOQIHERJF-BXUZGUMPSA-N 0 0 272.323 2.666 10 30 CFEERN N#C[C@]1(Cc2ccccc2[N+](=O)[O-])CCCCC1=O ZINC000087930991 179525800 /nfs/dbraw/zinc/52/58/00/179525800.db2.gz UTPMNDOPEGOOGX-CQSZACIVSA-N 0 0 258.277 2.790 10 30 CFEERN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cc1F ZINC000404174607 348590471 /nfs/dbraw/zinc/59/04/71/348590471.db2.gz XDAYWKJGPMSVNY-UKRRQHHQSA-N 0 0 257.312 2.869 10 30 CFEERN N#Cc1cc(OC(F)(F)F)cc(N)c1Br ZINC000396041678 348553137 /nfs/dbraw/zinc/55/31/37/348553137.db2.gz PJWDDIBKWWMFPA-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN Cc1ccc(C)c(N2CCC[C@@H](C(=O)CC#N)C2=O)c1 ZINC000536951125 348651468 /nfs/dbraw/zinc/65/14/68/348651468.db2.gz OZJBPWBLMXMHJV-ZDUSSCGKSA-N 0 0 270.332 2.529 10 30 CFEERN O=[N+]([O-])c1ccc(S(=O)(=O)OC=C2CCCC2)cc1 ZINC000584602823 348686250 /nfs/dbraw/zinc/68/62/50/348686250.db2.gz CZMVTNSMHIUTEA-UHFFFAOYSA-N 0 0 283.305 2.758 10 30 CFEERN Cc1cc2ccc(/C=N/CCO)nc2c(C)c1Cl ZINC000584603367 348686363 /nfs/dbraw/zinc/68/63/63/348686363.db2.gz ZYUMTOZSQAHUII-LZYBPNLTSA-N 0 0 262.740 2.916 10 30 CFEERN C#CCN(C(C)=O)c1ccc(F)cc1Br ZINC000584607767 348688628 /nfs/dbraw/zinc/68/86/28/348688628.db2.gz AVBBZTJGKZWUSY-UHFFFAOYSA-N 0 0 270.101 2.574 10 30 CFEERN CCO/C=N/c1ccnc(C(F)(F)F)c1C(C)=O ZINC000584630895 348695077 /nfs/dbraw/zinc/69/50/77/348695077.db2.gz IRACHFUXVFMTRX-OMCISZLKSA-N 0 0 260.215 2.999 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cccc(F)n1 ZINC000584629093 348695213 /nfs/dbraw/zinc/69/52/13/348695213.db2.gz ASLNWABHXXZTLM-KGLIPLIRSA-N 0 0 270.307 2.994 10 30 CFEERN Fc1cc(F)cc(C#CI)c1 ZINC000584630677 348695286 /nfs/dbraw/zinc/69/52/86/348695286.db2.gz VDRBDQVUIPJGEL-UHFFFAOYSA-N 0 0 264.012 2.709 10 30 CFEERN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC000584632291 348695982 /nfs/dbraw/zinc/69/59/82/348695982.db2.gz JOKRXWJGFREPSL-INIZCTEOSA-N 0 0 266.344 2.999 10 30 CFEERN N#C[C@@H](c1cccnc1)[C@H](CCO)c1ccccc1F ZINC000584633341 348696588 /nfs/dbraw/zinc/69/65/88/348696588.db2.gz DJUNEYADWRPJNT-HIFRSBDPSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cnccc1F ZINC000584633845 348697345 /nfs/dbraw/zinc/69/73/45/348697345.db2.gz PELNHCOIBUPWSD-KGLIPLIRSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@H](c1cocn1)[C@H](CCO)c1cc(F)ccc1F ZINC000584635980 348698141 /nfs/dbraw/zinc/69/81/41/348698141.db2.gz AMOSBECFKGJTLN-PWSUYJOCSA-N 0 0 278.258 2.726 10 30 CFEERN C=CCSc1snnc1C(=O)c1ccco1 ZINC000584637651 348699074 /nfs/dbraw/zinc/69/90/74/348699074.db2.gz WYVXPYQWDDEPNK-UHFFFAOYSA-N 0 0 252.320 2.640 10 30 CFEERN N#C[C@H](c1cccc(F)c1F)[C@@H](CCO)c1cnco1 ZINC000584638659 348699902 /nfs/dbraw/zinc/69/99/02/348699902.db2.gz SQUIAYYAEHEERP-KOLCDFICSA-N 0 0 278.258 2.726 10 30 CFEERN C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C)O1 ZINC000584640758 348700218 /nfs/dbraw/zinc/70/02/18/348700218.db2.gz ROBOGRVDICNRNY-TXEJJXNPSA-N 0 0 267.332 2.720 10 30 CFEERN CCOC(=O)CCON=C1C2CC3CC(C2)CC1C3 ZINC000584644172 348700834 /nfs/dbraw/zinc/70/08/34/348700834.db2.gz FRIVQQVWSFFGHY-UHFFFAOYSA-N 0 0 265.353 2.768 10 30 CFEERN CCOC(=O)/C=C/c1ccc(N2CCCC2)c(C#N)c1 ZINC000584660185 348703243 /nfs/dbraw/zinc/70/32/43/348703243.db2.gz NXPYHXNOAYSJNZ-SOFGYWHQSA-N 0 0 270.332 2.735 10 30 CFEERN Cc1cc(NCC[C@@H]2CCCO2)c(C#N)cc1[N+](=O)[O-] ZINC000591138442 348991644 /nfs/dbraw/zinc/99/16/44/348991644.db2.gz RJUKKKKEMBPXQX-LBPRGKRZSA-N 0 0 275.308 2.756 10 30 CFEERN N#CCc1nc2ccccc2n1[C@@H]1CCCC[C@@H]1O ZINC000104342232 185976718 /nfs/dbraw/zinc/97/67/18/185976718.db2.gz MAVDBEJLQKZVEX-KGLIPLIRSA-N 0 0 255.321 2.578 10 30 CFEERN N#CCc1nc2ccccc2n1[C@H]1CCCC[C@H]1O ZINC000104342243 185976989 /nfs/dbraw/zinc/97/69/89/185976989.db2.gz MAVDBEJLQKZVEX-UONOGXRCSA-N 0 0 255.321 2.578 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2ccncc2c1 ZINC000593504699 349285921 /nfs/dbraw/zinc/28/59/21/349285921.db2.gz VDMDQNRCYSDRJZ-UKRRQHHQSA-N 0 0 265.316 2.657 10 30 CFEERN N#Cc1c(F)cccc1Nc1ncc(Br)cn1 ZINC000104385898 185987842 /nfs/dbraw/zinc/98/78/42/185987842.db2.gz FXHFVAFAZGBYSG-UHFFFAOYSA-N 0 0 293.099 2.993 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000597083589 350027646 /nfs/dbraw/zinc/02/76/46/350027646.db2.gz SSMFSUDVQGPTTM-KCJUWKMLSA-N 0 0 254.255 2.886 10 30 CFEERN COc1ccc(CNc2ncnc(Cl)c2C#N)cc1 ZINC000090547685 180001556 /nfs/dbraw/zinc/00/15/56/180001556.db2.gz DTWUMBIFQDJVQF-UHFFFAOYSA-N 0 0 274.711 2.622 10 30 CFEERN C(#Cc1cccc(-c2cnccn2)c1)c1ccncc1 ZINC000090755336 180036298 /nfs/dbraw/zinc/03/62/98/180036298.db2.gz IGZZHAZXSWCQGY-UHFFFAOYSA-N 0 0 257.296 2.938 10 30 CFEERN COC(=O)c1ccccc1/N=C1/c2ccccc2N(C)C1=O ZINC000105426997 186056391 /nfs/dbraw/zinc/05/63/91/186056391.db2.gz IANSWROLAQUUAX-SDXDJHTJSA-N 0 0 294.310 2.570 10 30 CFEERN Cc1nn(C)c(N[C@@H](C)Cc2ccccc2)c1C#N ZINC000111350333 186403112 /nfs/dbraw/zinc/40/31/12/186403112.db2.gz LBFBQAVOYVATBZ-NSHDSACASA-N 0 0 254.337 2.643 10 30 CFEERN N#CC1(CO)CC(OCc2ccccc2Br)C1 ZINC000606302156 351261299 /nfs/dbraw/zinc/26/12/99/351261299.db2.gz FEULPZNVVLIDIP-UHFFFAOYSA-N 0 0 296.164 2.630 10 30 CFEERN N#Cc1cc(F)c(N[C@@H]2CCC[C@H](O)C2)c(F)c1 ZINC000604531498 351217032 /nfs/dbraw/zinc/21/70/32/351217032.db2.gz UWMGQONQJLWOQV-ZJUUUORDSA-N 0 0 252.264 2.552 10 30 CFEERN N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H](O)C1 ZINC000609891456 351526280 /nfs/dbraw/zinc/52/62/80/351526280.db2.gz NWRLVUILQKVZIZ-VXGBXAGGSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H](O)C1)CCCC2 ZINC000611227248 351653456 /nfs/dbraw/zinc/65/34/56/351653456.db2.gz UEVCCYZOFFRDCH-ZIAGYGMSSA-N 0 0 271.364 2.547 10 30 CFEERN CCC[C@@H]1C[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000122150827 187017864 /nfs/dbraw/zinc/01/78/64/187017864.db2.gz HJZKHPMFCDLFQE-SKDRFNHKSA-N 0 0 264.275 2.755 10 30 CFEERN COC(=O)N1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616628948 352390513 /nfs/dbraw/zinc/39/05/13/352390513.db2.gz JHSAPGSUUNILLA-ZDUSSCGKSA-N 0 0 258.321 2.894 10 30 CFEERN COC(=O)N1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616630368 352391756 /nfs/dbraw/zinc/39/17/56/352391756.db2.gz WBCMBRDQCVKSEO-ZDUSSCGKSA-N 0 0 258.321 2.894 10 30 CFEERN COC(=O)N1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616629941 352391884 /nfs/dbraw/zinc/39/18/84/352391884.db2.gz MKWZRLUHSXKNTQ-GFCCVEGCSA-N 0 0 258.321 2.894 10 30 CFEERN COC(=O)N1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616650477 352398560 /nfs/dbraw/zinc/39/85/60/352398560.db2.gz FDYFGXHEDFWDKA-CQSZACIVSA-N 0 0 258.321 2.894 10 30 CFEERN N#Cc1cccc([C@H]2CN(CCO)c3ccccc3N2)c1 ZINC000616685720 352413086 /nfs/dbraw/zinc/41/30/86/352413086.db2.gz UIAVYGYHUWHBSU-MRXNPFEDSA-N 0 0 279.343 2.524 10 30 CFEERN N#Cc1ccccc1[C@H]1c2ccccc2CCN1C(N)=O ZINC000616691096 352414725 /nfs/dbraw/zinc/41/47/25/352414725.db2.gz GYVRMZZMCYGHNP-MRXNPFEDSA-N 0 0 277.327 2.584 10 30 CFEERN C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CCCO1 ZINC000133589204 187695122 /nfs/dbraw/zinc/69/51/22/187695122.db2.gz BWVUCARFAOBTQW-PELKAZGASA-N 0 0 252.264 2.816 10 30 CFEERN N#Cc1ccccc1[C@@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616673561 352407854 /nfs/dbraw/zinc/40/78/54/352407854.db2.gz OLTITWXTRSEELD-CQSZACIVSA-N 0 0 277.327 2.783 10 30 CFEERN C#CCOc1ccc(F)cc1NCc1c(C)nn(C)c1C ZINC000172925316 188834136 /nfs/dbraw/zinc/83/41/36/188834136.db2.gz QHVKXBMUJQOKEL-UHFFFAOYSA-N 0 0 287.338 2.800 10 30 CFEERN CCOC(=O)C#Cc1ccc(F)c(Br)c1 ZINC000675078783 540676153 /nfs/dbraw/zinc/67/61/53/540676153.db2.gz LNFNRNXGFSOCPU-UHFFFAOYSA-N 0 0 271.085 2.503 10 30 CFEERN Nc1cc(Br)ccc1C#CC(F)(F)F ZINC000675078736 540676213 /nfs/dbraw/zinc/67/62/13/540676213.db2.gz KLHYQAHDJYBUEO-UHFFFAOYSA-N 0 0 264.044 2.945 10 30 CFEERN C#CCCCCC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000179890977 189226323 /nfs/dbraw/zinc/22/63/23/189226323.db2.gz KETDJJWDVIXGLE-CYBMUJFWSA-N 0 0 296.411 2.600 10 30 CFEERN C#Cc1cccc(N(C)C(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000180166754 189240507 /nfs/dbraw/zinc/24/05/07/189240507.db2.gz MFJRBLNCPOXUIG-UHFFFAOYSA-N 0 0 299.370 2.610 10 30 CFEERN C#CCCCCC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000180209729 189243699 /nfs/dbraw/zinc/24/36/99/189243699.db2.gz HHSPFNJBJRCUSM-UHFFFAOYSA-N 0 0 287.407 2.803 10 30 CFEERN CO[C@@H]1CCC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000301770763 201186957 /nfs/dbraw/zinc/18/69/57/201186957.db2.gz JMBITOXLFCRNCO-QWHCGFSZSA-N 0 0 259.353 2.940 10 30 CFEERN N#Cc1ccc(Sc2nnc(C3CCCCC3)o2)nn1 ZINC000301932204 201266707 /nfs/dbraw/zinc/26/67/07/201266707.db2.gz PEVSLWRHGRJHBO-UHFFFAOYSA-N 0 0 287.348 2.930 10 30 CFEERN C=CC(=O)C[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000685960567 541474780 /nfs/dbraw/zinc/47/47/80/541474780.db2.gz SAYINVZPSHAEHA-LLVKDONJSA-N 0 0 253.342 2.683 10 30 CFEERN c1cc(-c2ccc(OC[C@@H]3CO3)cc2)ccc1OC[C@@H]1CO1 ZINC000003075545 371771119 /nfs/dbraw/zinc/77/11/19/371771119.db2.gz OZRVXYJWUUMVOW-QZTJIDSGSA-N 0 0 298.338 2.909 10 30 CFEERN CCCCCCCCNC(=O)[C@H](CC(C)C)C(=O)NO ZINC000014113739 372060799 /nfs/dbraw/zinc/06/07/99/372060799.db2.gz QAPOPAUODGASKO-ZDUSSCGKSA-N 0 0 286.416 2.631 10 30 CFEERN N#Cc1csc(NC(=S)NCCc2ccccc2)n1 ZINC000013744901 372046811 /nfs/dbraw/zinc/04/68/11/372046811.db2.gz BZAWZCHHJAFXDY-UHFFFAOYSA-N 0 0 288.401 2.544 10 30 in-vivo CFEERN C[C@H](C#N)CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000047979439 373137677 /nfs/dbraw/zinc/13/76/77/373137677.db2.gz QVAPYTRGUDKWED-OLZOCXBDSA-N 0 0 254.337 2.683 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCCc1ccccc1 ZINC000061888792 373734132 /nfs/dbraw/zinc/73/41/32/373734132.db2.gz HAYFMMKTVNYXFF-CABCVRRESA-N 0 0 256.349 2.818 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000061888791 373734260 /nfs/dbraw/zinc/73/42/60/373734260.db2.gz HAYFMMKTVNYXFF-HUUCEWRRSA-N 0 0 256.349 2.818 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000061888588 373734310 /nfs/dbraw/zinc/73/43/10/373734310.db2.gz MKMMPBJLASCBJT-OCCSQVGLSA-N 0 0 265.316 2.657 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)s1 ZINC000061888642 373734919 /nfs/dbraw/zinc/73/49/19/373734919.db2.gz JOYKQHQXTVBXTF-YUMQZZPRSA-N 0 0 299.193 2.933 10 30 CFEERN CCOc1cc(CN[C@@H]2CCC[C@@H]2C#N)ccc1OC ZINC000061891658 373736240 /nfs/dbraw/zinc/73/62/40/373736240.db2.gz HEFYATZVESEFJC-ZIAGYGMSSA-N 0 0 274.364 2.876 10 30 CFEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000061892181 373736263 /nfs/dbraw/zinc/73/62/63/373736263.db2.gz ZDXHAPGUTJKMAA-STQMWFEESA-N 0 0 259.309 2.685 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccccc12 ZINC000061890846 373736299 /nfs/dbraw/zinc/73/62/99/373736299.db2.gz JMCRUSVHABDBEC-BXUZGUMPSA-N 0 0 267.332 2.519 10 30 CFEERN COc1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889354 373736463 /nfs/dbraw/zinc/73/64/63/373736463.db2.gz TWRMFBXQIRXLDA-GWCFXTLKSA-N 0 0 259.309 2.509 10 30 CFEERN CC(C)(C)OC(=O)N1CCC(C[C@H](F)C=O)CC1 ZINC000066339484 373925564 /nfs/dbraw/zinc/92/55/64/373925564.db2.gz MTEDBHASQVIZCT-NSHDSACASA-N 0 0 259.321 2.561 10 30 CFEERN N#CCN(CCc1ccncc1)Cc1ccccc1 ZINC000069618223 374078387 /nfs/dbraw/zinc/07/83/87/374078387.db2.gz RFZFHOSKQQMZGO-UHFFFAOYSA-N 0 0 251.333 2.650 10 30 CFEERN Cc1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1F ZINC000094956802 375397633 /nfs/dbraw/zinc/39/76/33/375397633.db2.gz VGZWHMPURXZQGZ-JTQLQIEISA-N 0 0 256.284 2.969 10 30 CFEERN N#C[C@@H](C(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000095082357 375408094 /nfs/dbraw/zinc/40/80/94/375408094.db2.gz YQVNMKQWRDWBNV-LLVKDONJSA-N 0 0 258.227 2.850 10 30 CFEERN CC(=O)Nc1ccc(/N=C\c2ccc(O)cc2O)cc1 ZINC000100207553 375615713 /nfs/dbraw/zinc/61/57/13/375615713.db2.gz PDHPRRDZQOOVCM-SXGWCWSVSA-N 0 0 270.288 2.807 10 30 CFEERN CCOC(=O)c1cnc(SC)nc1C#Cc1ccccc1 ZINC000098179785 375608120 /nfs/dbraw/zinc/60/81/20/375608120.db2.gz DZLBEQUXMIAXDL-UHFFFAOYSA-N 0 0 298.367 2.775 10 30 CFEERN N#CCCOCCC(F)(F)C(F)(F)Br ZINC000098210912 375611025 /nfs/dbraw/zinc/61/10/25/375611025.db2.gz OJCCXTHSTHCGIJ-UHFFFAOYSA-N 0 0 278.043 2.930 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(C)c(OCC(F)F)c1 ZINC000102662877 375685718 /nfs/dbraw/zinc/68/57/18/375685718.db2.gz IYMVEBINKALNIK-NSHDSACASA-N 0 0 298.333 2.742 10 30 CFEERN CCCCCCCC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114865837 376092160 /nfs/dbraw/zinc/09/21/60/376092160.db2.gz IYHPSTPMRSTBIV-ZDUSSCGKSA-N 0 0 292.427 2.632 10 30 CFEERN N#Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccco2)c1 ZINC000116288565 376178609 /nfs/dbraw/zinc/17/86/09/376178609.db2.gz NRMZOXLLDISFGX-HNNXBMFYSA-N 0 0 295.342 2.927 10 30 CFEERN C=C[C@@H](CC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000123338606 376952654 /nfs/dbraw/zinc/95/26/54/376952654.db2.gz DWTAEYNWFJSNHO-DZGCQCFKSA-N 0 0 296.374 2.589 10 30 CFEERN Cn1cc([C@@H]2CCCN2c2ccc(C#N)cc2)cn1 ZINC000264278406 383720013 /nfs/dbraw/zinc/72/00/13/383720013.db2.gz HUELBPDZTRWMQK-HNNXBMFYSA-N 0 0 252.321 2.633 10 30 CFEERN COc1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1C#N ZINC000135039712 378076568 /nfs/dbraw/zinc/07/65/68/378076568.db2.gz VWQVFLZCCAMBTB-INIZCTEOSA-N 0 0 296.374 2.637 10 30 CFEERN C=CCCCN(C)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000135663278 378155165 /nfs/dbraw/zinc/15/51/65/378155165.db2.gz JPUDDHIIUMPTFH-CYBMUJFWSA-N 0 0 296.411 2.811 10 30 CFEERN C=CCCCCCN(C)Cc1nnc(CC)n1C ZINC000150884559 378278788 /nfs/dbraw/zinc/27/87/88/378278788.db2.gz SZQBWJCREKQDQB-UHFFFAOYSA-N 0 0 250.390 2.556 10 30 CFEERN CS(=O)(=O)OCc1ccc(Br)c(Cl)c1 ZINC000145426499 378249845 /nfs/dbraw/zinc/24/98/45/378249845.db2.gz XQBDWGCGEHJYDW-UHFFFAOYSA-N 0 0 299.573 2.579 10 30 CFEERN C[C@@H]1COC[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC000151504456 378331899 /nfs/dbraw/zinc/33/18/99/378331899.db2.gz HAUOVWQNTZDGJA-BETUJISGSA-N 0 0 263.768 2.801 10 30 CFEERN C#CCOCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000153276756 378484282 /nfs/dbraw/zinc/48/42/82/378484282.db2.gz MEBIQPJTPQHFGZ-CQSZACIVSA-N 0 0 275.348 2.682 10 30 CFEERN Cc1cc(Br)nc(C#N)c1Br ZINC000156748799 378644649 /nfs/dbraw/zinc/64/46/49/378644649.db2.gz KHOMLTOZERHKKW-UHFFFAOYSA-N 0 0 275.931 2.787 10 30 CFEERN Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c(C#N)c(C)n1 ZINC000160391039 378767855 /nfs/dbraw/zinc/76/78/55/378767855.db2.gz WJSOHQRDQPFREQ-BBRMVZONSA-N 0 0 271.364 2.940 10 30 CFEERN N#Cc1c(Br)cccc1N1CC[C@@H](CCO)C1 ZINC000168607504 379091688 /nfs/dbraw/zinc/09/16/88/379091688.db2.gz DLFJXDDAFCUURY-JTQLQIEISA-N 0 0 295.180 2.529 10 30 CFEERN C#Cc1cccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171510011 379327125 /nfs/dbraw/zinc/32/71/25/379327125.db2.gz WFQYMBHUWMEHBG-INIZCTEOSA-N 0 0 294.358 2.770 10 30 CFEERN C[C@H]1CCCN(c2cc(NCCCCC#N)ncn2)C1 ZINC000171543989 379335559 /nfs/dbraw/zinc/33/55/59/379335559.db2.gz UJRSPGSVCZWSME-ZDUSSCGKSA-N 0 0 273.384 2.819 10 30 CFEERN C#Cc1cccc(N(CC)Cc2nnc(C3CC3)n2C)c1 ZINC000171395804 379299253 /nfs/dbraw/zinc/29/92/53/379299253.db2.gz FRJZLMHALIEWFL-UHFFFAOYSA-N 0 0 280.375 2.700 10 30 CFEERN C=CC[C@@H](C)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000172059632 379480008 /nfs/dbraw/zinc/48/00/08/379480008.db2.gz ABASCLFLYJSNCP-YPMHNXCESA-N 0 0 260.337 2.774 10 30 CFEERN C=CC[C@H](C)NC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000172067589 379481122 /nfs/dbraw/zinc/48/11/22/379481122.db2.gz CYPMLHOAEMRSEN-NWDGAFQWSA-N 0 0 299.415 2.554 10 30 CFEERN CNC(=S)NCCc1cccc2ccc(OC)cc21 ZINC000000008269 169505862 /nfs/dbraw/zinc/50/58/62/169505862.db2.gz WWOWZEWWGVWZFW-UHFFFAOYSA-N 0 0 274.389 2.896 10 30 CFEERN C[C@@H]1C[C@@H](O)CN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000335240165 380064263 /nfs/dbraw/zinc/06/42/63/380064263.db2.gz VTUZXRUMCBJESV-BXKDBHETSA-N 0 0 284.281 2.784 10 30 CFEERN C[C@H]1C[C@H](O)CN(c2cccc(Br)c2C#N)C1 ZINC000336275532 380305747 /nfs/dbraw/zinc/30/57/47/380305747.db2.gz UMCLITJDZXCOBI-UWVGGRQHSA-N 0 0 295.180 2.528 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N1CCS[C@@H](C)C1 ZINC000178545082 380463627 /nfs/dbraw/zinc/46/36/27/380463627.db2.gz KKRHCBXMXPJPAS-JTQLQIEISA-N 0 0 275.377 2.836 10 30 CFEERN C#CCCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180369120 380649309 /nfs/dbraw/zinc/64/93/09/380649309.db2.gz AFQOLGQHMRVNSW-HUUCEWRRSA-N 0 0 289.375 2.888 10 30 CFEERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(C#N)c1 ZINC000181835553 380909182 /nfs/dbraw/zinc/90/91/82/380909182.db2.gz YOEDXEFGXRIEJP-OLZOCXBDSA-N 0 0 295.390 2.898 10 30 CFEERN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000181835570 380909687 /nfs/dbraw/zinc/90/96/87/380909687.db2.gz YOEDXEFGXRIEJP-QWHCGFSZSA-N 0 0 295.390 2.898 10 30 CFEERN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000181835535 380910208 /nfs/dbraw/zinc/91/02/08/380910208.db2.gz YOEDXEFGXRIEJP-STQMWFEESA-N 0 0 295.390 2.898 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000182316281 381059808 /nfs/dbraw/zinc/05/98/08/381059808.db2.gz SVZPGNJZWGUUKI-BXUZGUMPSA-N 0 0 257.337 2.523 10 30 CFEERN CC[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000183816288 381324878 /nfs/dbraw/zinc/32/48/78/381324878.db2.gz NACAPRGEHYECPA-UTUOFQBUSA-N 0 0 278.302 2.877 10 30 CFEERN N#CCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000184849535 381487597 /nfs/dbraw/zinc/48/75/97/381487597.db2.gz HTQGKWKIRZNNGD-CYBMUJFWSA-N 0 0 270.332 2.853 10 30 CFEERN COc1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1OC ZINC000000288270 169597964 /nfs/dbraw/zinc/59/79/64/169597964.db2.gz DVOXCJLPISYKNP-VCHYOVAHSA-N 0 0 284.315 2.553 10 30 CFEERN C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCOC[C@@H]1C ZINC000301268977 382130422 /nfs/dbraw/zinc/13/04/22/382130422.db2.gz JAEXKKVLRRIHDC-RYUDHWBXSA-N 0 0 293.798 2.733 10 30 CFEERN Cc1ccc(NC(=O)CCNc2ccc(C#N)cc2F)nc1 ZINC000301279016 382134036 /nfs/dbraw/zinc/13/40/36/382134036.db2.gz ZOJTWQLBPYVBQZ-UHFFFAOYSA-N 0 0 298.321 2.842 10 30 CFEERN CSC[C@@H](C)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301331085 382150730 /nfs/dbraw/zinc/15/07/30/382150730.db2.gz LJMMKGFCKPOAMT-SECBINFHSA-N 0 0 265.338 2.654 10 30 CFEERN N#Cc1ccc(N2CCC(OCC3CCCC3)CC2)nn1 ZINC000301966100 382201950 /nfs/dbraw/zinc/20/19/50/382201950.db2.gz OFYOABRHNJTIIA-UHFFFAOYSA-N 0 0 286.379 2.524 10 30 CFEERN C=CCO[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000302145850 382210542 /nfs/dbraw/zinc/21/05/42/382210542.db2.gz KSMFNHPNCPNNKJ-NSHDSACASA-N 0 0 279.771 2.789 10 30 CFEERN C=CCO[C@@H]1CCN(c2cccc(F)c2C(C)=O)C1 ZINC000302173359 382212577 /nfs/dbraw/zinc/21/25/77/382212577.db2.gz QKAUZIRWCRXZSQ-GFCCVEGCSA-N 0 0 263.312 2.810 10 30 CFEERN N#Cc1ccc([N+](=O)[O-])c(SC(=S)N2CCCC2)c1 ZINC000302217195 382218335 /nfs/dbraw/zinc/21/83/35/382218335.db2.gz PSJCIONTHIAKGN-UHFFFAOYSA-N 0 0 293.373 2.939 10 30 CFEERN CCOCC1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000302635032 382280295 /nfs/dbraw/zinc/28/02/95/382280295.db2.gz KBYNDVGRQTUNNM-UHFFFAOYSA-N 0 0 259.353 2.515 10 30 CFEERN N#Cc1cccc(NCc2ccc(Br)o2)n1 ZINC000302510946 382259320 /nfs/dbraw/zinc/25/93/20/382259320.db2.gz SNRAGGJOSGVIGM-UHFFFAOYSA-N 0 0 278.109 2.921 10 30 CFEERN N#Cc1nc(Oc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000302724647 382302609 /nfs/dbraw/zinc/30/26/09/382302609.db2.gz MZFZTLXIYMUPPD-UHFFFAOYSA-N 0 0 277.186 2.932 10 30 CFEERN Cc1cc(Nc2ccc3c(c2)CC(=O)N3C)c(C#N)c(C)n1 ZINC000302857908 382335991 /nfs/dbraw/zinc/33/59/91/382335991.db2.gz MXFOYOPZRXZWFV-UHFFFAOYSA-N 0 0 292.342 2.833 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)c(O)c2)o1 ZINC000188253166 382378230 /nfs/dbraw/zinc/37/82/30/382378230.db2.gz QQQZNLZMFZNSKY-JTQLQIEISA-N 0 0 270.288 2.656 10 30 CFEERN N#Cc1cccnc1NCc1ccc2c(c1)CCCN2 ZINC000381488325 382521188 /nfs/dbraw/zinc/52/11/88/382521188.db2.gz PJAZCPRSBLTYHG-UHFFFAOYSA-N 0 0 264.332 2.923 10 30 CFEERN Cc1cscc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328624153 382556067 /nfs/dbraw/zinc/55/60/67/382556067.db2.gz JTGKUWYIIXDCMX-LLVKDONJSA-N 0 0 275.377 2.820 10 30 CFEERN N#Cc1cc2c(nc1Nc1cccnc1)CCCC2 ZINC000043410102 184559357 /nfs/dbraw/zinc/55/93/57/184559357.db2.gz NMYZQRCPVGYTEP-UHFFFAOYSA-N 0 0 250.305 2.971 10 30 CFEERN C=CCN(CCOC)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000191975074 382703929 /nfs/dbraw/zinc/70/39/29/382703929.db2.gz CESHTWZQLDUTII-OLZOCXBDSA-N 0 0 295.329 2.729 10 30 CFEERN Cn1cc([C@@H]2CCCN2CC#Cc2ccccc2)cn1 ZINC000191991771 382704036 /nfs/dbraw/zinc/70/40/36/382704036.db2.gz NRZAAVDPYZTEDQ-KRWDZBQOSA-N 0 0 265.360 2.609 10 30 CFEERN C=CCN(Cc1nnc(CC)n1C)Cc1ccccc1F ZINC000195102288 382761948 /nfs/dbraw/zinc/76/19/48/382761948.db2.gz NAFDQJYKULASDY-UHFFFAOYSA-N 0 0 288.370 2.705 10 30 CFEERN N#Cc1c(OC(F)(F)F)ccnc1C(F)(F)F ZINC000575374300 382762112 /nfs/dbraw/zinc/76/21/12/382762112.db2.gz KSCVCNRZSHZVFK-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN COC(=O)c1ccc(Cl)c(C#N)c1OC(F)F ZINC000575382405 382762987 /nfs/dbraw/zinc/76/29/87/382762987.db2.gz JMOUFXPSDSQKRZ-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1c(Cl)ccc(OC(F)F)c1C#N ZINC000575382476 382763089 /nfs/dbraw/zinc/76/30/89/382763089.db2.gz OQKULRPWRGRKJV-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(Cl)c1OC(F)F ZINC000575382509 382763213 /nfs/dbraw/zinc/76/32/13/382763213.db2.gz SDTWJYNQWKWHSO-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN COC(=O)c1c(Cl)cc(C#N)cc1OC(F)(F)F ZINC000575382935 382763279 /nfs/dbraw/zinc/76/32/79/382763279.db2.gz UKWWVBZOUUAQSV-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)Cc1cc(C#N)c(Cl)c(OC(F)(F)F)c1 ZINC000575383329 382763540 /nfs/dbraw/zinc/76/35/40/382763540.db2.gz PUHRNASOXOPRSN-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1cc(C(F)F)cc(OC(F)F)c1C#N ZINC000575385442 382764126 /nfs/dbraw/zinc/76/41/26/382764126.db2.gz QYSDDPBRBIOJFS-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)c1c(OC(F)F)ccc(C#N)c1C(F)F ZINC000575385420 382764348 /nfs/dbraw/zinc/76/43/48/382764348.db2.gz PNAFWGSJPIZSHP-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN COC(=O)c1ccc(OC(F)F)c(C(F)(F)F)c1C#N ZINC000575386975 382764456 /nfs/dbraw/zinc/76/44/56/382764456.db2.gz UBKAIUGSUBZHFB-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)Cc1c(C)cc(C#N)cc1OC(F)F ZINC000575387282 382764558 /nfs/dbraw/zinc/76/45/58/382764558.db2.gz HEYUJVRJWNAMGS-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1OC(F)F ZINC000575386943 382764630 /nfs/dbraw/zinc/76/46/30/382764630.db2.gz REKGGOPSMBONFR-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1cc(C)c(C#N)cc1OC(F)F ZINC000575388646 382764890 /nfs/dbraw/zinc/76/48/90/382764890.db2.gz PPLMJWIMFOPZDT-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1ccc(CC(=O)OC)c(C#N)c1OC(F)(F)F ZINC000575388984 382765202 /nfs/dbraw/zinc/76/52/02/382765202.db2.gz OSHLQPWSTXGSKX-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(CC(=O)OC)cc(C#N)c1OC(F)(F)F ZINC000575389012 382765257 /nfs/dbraw/zinc/76/52/57/382765257.db2.gz QLRDETSZOPXUBO-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1c(OC(F)(F)F)cc(C#N)cc1C(=O)OC ZINC000575389114 382765376 /nfs/dbraw/zinc/76/53/76/382765376.db2.gz YTIHTQODZLTZPB-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(C#N)c(CC(=O)OC)cc1C(F)F ZINC000575389784 382766115 /nfs/dbraw/zinc/76/61/15/382766115.db2.gz RYUMWAWKFKRDJM-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)c1cc(C=O)c(C#N)cc1C(F)(F)F ZINC000575390784 382766291 /nfs/dbraw/zinc/76/62/91/382766291.db2.gz AJECQKYHCZHYIT-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1c(C=O)ccc(C(F)(F)F)c1C#N ZINC000575391567 382766679 /nfs/dbraw/zinc/76/66/79/382766679.db2.gz VRUCOGSDHKBMPY-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1C=O ZINC000575391621 382766693 /nfs/dbraw/zinc/76/66/93/382766693.db2.gz YCDSNPQCKZHWMZ-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C=O)c1C(F)(F)F ZINC000575391456 382766778 /nfs/dbraw/zinc/76/67/78/382766778.db2.gz MVDFSNVYXDGSST-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1cc(O)c(C#N)cc1SC(F)(F)F ZINC000575391979 382767207 /nfs/dbraw/zinc/76/72/07/382767207.db2.gz JIVMHEWPMWPBCS-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN CCOC(=O)c1c(OC)cc(C#N)cc1OC(F)(F)F ZINC000575394026 382767893 /nfs/dbraw/zinc/76/78/93/382767893.db2.gz FGZMCIXSEZJZAM-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1C ZINC000575394666 382768222 /nfs/dbraw/zinc/76/82/22/382768222.db2.gz JBHDSXQTLPFYCP-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1C ZINC000575394380 382768275 /nfs/dbraw/zinc/76/82/75/382768275.db2.gz GGIPBTRJCPBFGS-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCn1cc(C2CCN(C[C@@H](C#N)CCC#N)CC2)cn1 ZINC000195512647 382768729 /nfs/dbraw/zinc/76/87/29/382768729.db2.gz SGHCYKSZOMVVSA-CQSZACIVSA-N 0 0 285.395 2.526 10 30 CFEERN CCOC(=O)Cc1c(C)c(C#N)ccc1C(F)(F)F ZINC000575395316 382768819 /nfs/dbraw/zinc/76/88/19/382768819.db2.gz XTGGPCIPVYEIQW-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN COC(=O)c1cc(OC)c(C#N)cc1SC(F)(F)F ZINC000575395242 382769001 /nfs/dbraw/zinc/76/90/01/382769001.db2.gz ZNKPDUOQKYGXDX-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN N#CCc1ccc(C(F)(F)F)nc1OC(F)F ZINC000575396928 382769166 /nfs/dbraw/zinc/76/91/66/382769166.db2.gz SBCMZIGJVWXFFH-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CN(C)/C=C\C(=O)c1cccc(OC(F)(F)F)c1 ZINC000199817917 382772490 /nfs/dbraw/zinc/77/24/90/382772490.db2.gz MLYHTTMXNXRTCX-SREVYHEPSA-N 0 0 259.227 2.843 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1Cl ZINC000575713337 382794210 /nfs/dbraw/zinc/79/42/10/382794210.db2.gz UCPMJNHHRCJWRL-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN C#C[C@H](C)Nc1ccc(I)cc1F ZINC000575492557 382773048 /nfs/dbraw/zinc/77/30/48/382773048.db2.gz JAIJYUKBBVCPIL-ZETCQYMHSA-N 0 0 289.091 2.864 10 30 CFEERN Cc1cc(I)cc(N[C@H](C)C#N)c1 ZINC000575488903 382773057 /nfs/dbraw/zinc/77/30/57/382773057.db2.gz SSRYHNNTLWFMTC-MRVPVSSYSA-N 0 0 286.116 2.924 10 30 CFEERN Cc1cc(I)cc(NCCC#N)c1 ZINC000575487186 382773092 /nfs/dbraw/zinc/77/30/92/382773092.db2.gz AASFYSYTORUVBA-UHFFFAOYSA-N 0 0 286.116 2.925 10 30 CFEERN COC(=O)Cc1cc(C(F)F)c(Cl)cc1C#N ZINC000575713007 382794289 /nfs/dbraw/zinc/79/42/89/382794289.db2.gz QCZPBZAHEATSKT-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN N#CCc1cc(Br)c(OC(F)F)cc1N ZINC000575713795 382794488 /nfs/dbraw/zinc/79/44/88/382794488.db2.gz CSBVMPAOPLQCJJ-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN O=C(C=CNCO)c1ccc(-c2ccccc2)cc1 ZINC000212174839 382776218 /nfs/dbraw/zinc/77/62/18/382776218.db2.gz QFEPULVPXAYCRL-KHPPLWFESA-N 0 0 253.301 2.589 10 30 CFEERN CCOc1cc(CC#N)c(C#N)c(OC(F)F)c1 ZINC000575639459 382776418 /nfs/dbraw/zinc/77/64/18/382776418.db2.gz RCYUBOOVOFQEER-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(OC(F)F)ccc(OC)c1CC#N ZINC000575656758 382779793 /nfs/dbraw/zinc/77/97/93/382779793.db2.gz HSYDAEZPUYVEAE-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1cc(OC(F)F)c(OC)cc1CC#N ZINC000575658888 382780588 /nfs/dbraw/zinc/78/05/88/382780588.db2.gz 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CC(=Nn1c(C)cc(C)c(C#N)c1=O)c1ccccc1 ZINC000254385345 383467353 /nfs/dbraw/zinc/46/73/53/383467353.db2.gz WOKXWTGLSDTLBV-UHFFFAOYSA-N 0 0 265.316 2.609 10 30 CFEERN CCOC(OCC)C(=O)C/C=C\C#CC(C)(C)C ZINC000642719149 384456330 /nfs/dbraw/zinc/45/63/30/384456330.db2.gz PYHMBPIIVVNVPI-HJWRWDBZSA-N 0 0 252.354 2.950 10 30 CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 ZINC000013136383 285119546 /nfs/dbraw/zinc/11/95/46/285119546.db2.gz GCEQJUADWFNJDR-YUAPJLSESA-N 0 0 288.263 2.867 10 30 CFEERN C[C@H](Nc1cccc(C#N)n1)c1ccc2c(c1)OCCO2 ZINC000270011978 384940992 /nfs/dbraw/zinc/94/09/92/384940992.db2.gz BDEUWOZWZWVEBL-NSHDSACASA-N 0 0 281.315 2.898 10 30 CFEERN Cc1cccc([C@](C#N)(C[C@@H](C)C#N)N2CCOCC2)c1 ZINC000096300478 256888530 /nfs/dbraw/zinc/88/85/30/256888530.db2.gz WDFVGTCLZOSIJC-NVXWUHKLSA-N 0 0 283.375 2.596 10 30 CFEERN CO[C@]1(C)CCCN(C(=O)NCCC2CCOCC2)CC1 ZINC000329976199 533360671 /nfs/dbraw/zinc/36/06/71/533360671.db2.gz YNBRJOZUHCYEQC-MRXNPFEDSA-N 0 0 298.427 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/nfs/dbraw/zinc/02/93/25/543029325.db2.gz QVCZNLDLLDERNO-GHMZBOCLSA-N 0 0 251.326 2.601 10 30 CFEERN C=C(C)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406106648 543029976 /nfs/dbraw/zinc/02/99/76/543029976.db2.gz NBNOLQMQLSZXAM-LBPRGKRZSA-N 0 0 261.321 2.837 10 30 CFEERN C=C[C@H](C)Nc1ncc(F)cc1I ZINC000306223322 397640115 /nfs/dbraw/zinc/64/01/15/397640115.db2.gz YIXGAGCKWCNPTO-LURJTMIESA-N 0 0 292.095 2.812 10 30 CFEERN C#CC(C)(C)OCc1cccc(Br)n1 ZINC000306522104 397641222 /nfs/dbraw/zinc/64/12/22/397641222.db2.gz OVDSVNPHJSBEDW-UHFFFAOYSA-N 0 0 254.127 2.773 10 30 CFEERN COc1ccc(NC(C)=C2C(=O)CCCC2=O)cc1 ZINC000005223271 286336467 /nfs/dbraw/zinc/33/64/67/286336467.db2.gz URQMKQBLPYCMKD-UHFFFAOYSA-N 0 0 259.305 2.703 10 30 CFEERN COc1ccc(/C=N/NCc2ccccc2)cc1OC ZINC000003071783 169852426 /nfs/dbraw/zinc/85/24/26/169852426.db2.gz GMQWEQXFAVAEDD-LDADJPATSA-N 0 0 270.332 2.828 10 30 CFEERN C=C1C(=NOC(=O)c2ccccc2)C=CC(=O)C1C ZINC000005247841 170078865 /nfs/dbraw/zinc/07/88/65/170078865.db2.gz FPLUTIUGLCMRJL-DTQAZKPQSA-N 0 0 255.273 2.675 10 30 CFEERN C#Cc1ccc(C23OCC(C(C)(C)C)(CO2)[C@H](C#N)O3)cc1 ZINC000005351630 170088556 /nfs/dbraw/zinc/08/85/56/170088556.db2.gz KOTGUJCMDOQJFB-ZLPCBKJTSA-N 0 0 297.354 2.780 10 30 CFEERN CNC(=S)N/N=C/c1ccccc1OCc1ccccc1 ZINC000005353590 170088916 /nfs/dbraw/zinc/08/89/16/170088916.db2.gz MQXOUUADXSRTGA-WOJGMQOQSA-N 0 0 299.399 2.693 10 30 CFEERN COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])o2)ccc1O ZINC000005357563 170089233 /nfs/dbraw/zinc/08/92/33/170089233.db2.gz FVJVZKRVTOCVQA-DUXPYHPUSA-N 0 0 289.243 2.798 10 30 CFEERN CCc1cc(NCc2ccccc2C#N)c(=O)[nH]c1C ZINC000005887259 170150387 /nfs/dbraw/zinc/15/03/87/170150387.db2.gz WLCJXOPPMUGROU-UHFFFAOYSA-N 0 0 267.332 2.730 10 30 CFEERN C#CCOc1c(Cl)cc(NC=NOC)cc1Cl ZINC000005997974 170166772 /nfs/dbraw/zinc/16/67/72/170166772.db2.gz VOPAGMQVZGBJDT-UHFFFAOYSA-N 0 0 273.119 2.816 10 30 CFEERN C=C1c2ccc3c(c2CC[C@@H]1O)C(=O)C(=O)c1c(C)coc1-3 ZINC000006072088 170174244 /nfs/dbraw/zinc/17/42/44/170174244.db2.gz RUJKJFRMCYQMLH-ZDUSSCGKSA-N 0 0 294.306 2.954 10 30 biogenic,in-vitro CFEERN C=CCc1cccc(C=NNc2ccncc2)c1O ZINC000006317532 170191106 /nfs/dbraw/zinc/19/11/06/170191106.db2.gz FDSWTKCVXROLGB-GZTJUZNOSA-N 0 0 253.305 2.962 10 30 CFEERN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000006401348 170198394 /nfs/dbraw/zinc/19/83/94/170198394.db2.gz JKPGWLZARKHPSJ-LBPRGKRZSA-N 0 0 266.300 2.964 10 30 CFEERN C=C(C)CN1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006488718 170205496 /nfs/dbraw/zinc/20/54/96/170205496.db2.gz IIUBASIWSTXESN-LLVKDONJSA-N 0 0 257.337 2.522 10 30 CFEERN CCOc1ccc(CN=Nc2oc(C)nc2C#N)cc1 ZINC000006656746 170222749 /nfs/dbraw/zinc/22/27/49/170222749.db2.gz LLEMVEQOXMGIOT-CXUHLZMHSA-N 0 0 270.292 2.699 10 30 CFEERN COc1ccc(O)c(/C=N/N(C)c2ccccc2)c1 ZINC000007351135 170278781 /nfs/dbraw/zinc/27/87/81/170278781.db2.gz DWAWBVXJUXLDMC-LFIBNONCSA-N 0 0 256.305 2.871 10 30 CFEERN C=CCNC(=S)NC(=O)/C=C/c1ccccc1Cl ZINC000008554547 170340092 /nfs/dbraw/zinc/34/00/92/170340092.db2.gz CZLZIXSSPMCLPT-BQYQJAHWSA-N 0 0 280.780 2.530 10 30 CFEERN COc1ccc(O[C@H](C)C#N)c(Br)c1 ZINC000011944559 170459749 /nfs/dbraw/zinc/45/97/49/170459749.db2.gz ZGSUSPPBBGZGAY-SSDOTTSWSA-N 0 0 256.099 2.749 10 30 CFEERN Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1N ZINC000019261380 170762078 /nfs/dbraw/zinc/76/20/78/170762078.db2.gz UGXMCZXWIJMWIW-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN N#CCCN(C(=O)c1cccnc1)c1ccccc1 ZINC000019432826 170798056 /nfs/dbraw/zinc/79/80/56/170798056.db2.gz NUHFWTXPHXDIIB-UHFFFAOYSA-N 0 0 251.289 2.642 10 30 CFEERN O=C(c1ccc(F)cc1Cl)N1CCC(=NO)CC1 ZINC000019479813 170809420 /nfs/dbraw/zinc/80/94/20/170809420.db2.gz MFOQVDYRTGMXOS-UHFFFAOYSA-N 0 0 270.691 2.545 10 30 CFEERN C/C(=N\O)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000019516158 170822937 /nfs/dbraw/zinc/82/29/37/170822937.db2.gz TZPXHRISPZMHPX-LICLKQGHSA-N 0 0 255.277 2.532 10 30 CFEERN Cc1ccc(Sc2ncccc2/C(N)=N/O)cc1 ZINC000019847753 170896952 /nfs/dbraw/zinc/89/69/52/170896952.db2.gz UCKSGPBRQQPWCI-UHFFFAOYSA-N 0 0 259.334 2.636 10 30 CFEERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 ZINC000019911375 170922037 /nfs/dbraw/zinc/92/20/37/170922037.db2.gz JAJOAXCNDNMBTM-LLVKDONJSA-N 0 0 265.316 2.830 10 30 CFEERN CCCCCN[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175669 171041977 /nfs/dbraw/zinc/04/19/77/171041977.db2.gz QRNLJGVEJNAVHF-ZDUSSCGKSA-N 0 0 260.337 2.802 10 30 CFEERN COCCN[C@H](C#N)c1ccccc1C(F)(F)F ZINC000020176330 171042350 /nfs/dbraw/zinc/04/23/50/171042350.db2.gz SEJFYHJOPIGPCD-LLVKDONJSA-N 0 0 258.243 2.506 10 30 CFEERN CN(C(=O)Nc1ccc(C#N)cc1)c1ccc(O)cc1 ZINC000020212781 171075691 /nfs/dbraw/zinc/07/56/91/171075691.db2.gz MRIPVBARKRZCNR-UHFFFAOYSA-N 0 0 267.288 2.932 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020313336 171145113 /nfs/dbraw/zinc/14/51/13/171145113.db2.gz OHEJJCGTWVOLLF-JTQLQIEISA-N 0 0 250.367 2.511 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1Br ZINC000020358928 171157857 /nfs/dbraw/zinc/15/78/57/171157857.db2.gz AOOZBYBSVDHVGJ-SECBINFHSA-N 0 0 283.169 2.552 10 30 CFEERN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363380 171162427 /nfs/dbraw/zinc/16/24/27/171162427.db2.gz RFYABGUAXJLPMV-LBPRGKRZSA-N 0 0 274.364 2.825 10 30 CFEERN O=C1CCCC2=Nc3ncnn3[C@@H](/C=C/c3ccccc3)C12 ZINC000020413933 171183239 /nfs/dbraw/zinc/18/32/39/171183239.db2.gz OOCKMBVFDZBBIL-HBWSCVEGSA-N 0 0 292.342 2.965 10 30 CFEERN CCCCCCOc1ccc(/C(N)=N/O)cc1OC ZINC000020519788 171233530 /nfs/dbraw/zinc/23/35/30/171233530.db2.gz GLYXMZPJXGMHMQ-UHFFFAOYSA-N 0 0 266.341 2.749 10 30 CFEERN CN(c1ccccc1)S(=O)(=O)Cc1ccccc1C#N ZINC000021812766 171330054 /nfs/dbraw/zinc/33/00/54/171330054.db2.gz WAMFMUYIEOOGJD-UHFFFAOYSA-N 0 0 286.356 2.524 10 30 CFEERN N#Cc1ccc(OCCC(=O)Nc2cccc(N)c2)cc1 ZINC000022217285 171376332 /nfs/dbraw/zinc/37/63/32/171376332.db2.gz LNUQNUNRROWHMX-UHFFFAOYSA-N 0 0 281.315 2.548 10 30 CFEERN Cc1cc(C)n(CCCOc2ccccc2C#N)n1 ZINC000034674784 171861693 /nfs/dbraw/zinc/86/16/93/171861693.db2.gz FLSYOOVMOUXJSC-UHFFFAOYSA-N 0 0 255.321 2.841 10 30 CFEERN COCCSCCOc1ccc(CC#N)cc1 ZINC000035321945 172125263 /nfs/dbraw/zinc/12/52/63/172125263.db2.gz WQUTZEJJXZXVBO-UHFFFAOYSA-N 0 0 251.351 2.511 10 30 CFEERN N#Cc1ccc(Oc2nc3sccn3c2CO)cc1 ZINC000035429424 172197565 /nfs/dbraw/zinc/19/75/65/172197565.db2.gz DKTCVIHJTQZSSI-UHFFFAOYSA-N 0 0 271.301 2.552 10 30 CFEERN CC(C)COc1ccc(C=Nn2cn[nH]c2=S)cc1 ZINC000035441217 172202481 /nfs/dbraw/zinc/20/24/81/172202481.db2.gz QOBZHBMIRNJJEC-CHHVJCJISA-N 0 0 276.365 2.858 10 30 CFEERN N#CC1(S(=O)(=O)c2ccccc2Cl)CCC1 ZINC000035676708 172347450 /nfs/dbraw/zinc/34/74/50/172347450.db2.gz PDCGRLRRDWSHJN-UHFFFAOYSA-N 0 0 255.726 2.560 10 30 CFEERN N#Cc1cnc2ccccc2c1OC[C@@H]1CCCO1 ZINC000036913396 172800059 /nfs/dbraw/zinc/80/00/59/172800059.db2.gz DMTVEYWAFKWDOD-LBPRGKRZSA-N 0 0 254.289 2.664 10 30 CFEERN N#Cc1cnc2ccccc2c1OC[C@H]1CCCO1 ZINC000036913397 172800454 /nfs/dbraw/zinc/80/04/54/172800454.db2.gz DMTVEYWAFKWDOD-GFCCVEGCSA-N 0 0 254.289 2.664 10 30 CFEERN CC(C)(C)Oc1c(/C(N)=N/O)cnc2ccccc21 ZINC000036914263 172800898 /nfs/dbraw/zinc/80/08/98/172800898.db2.gz WYVRGFQVBAMZBY-UHFFFAOYSA-N 0 0 259.309 2.507 10 30 CFEERN CSc1nn(-c2cc(C)ccc2C)c(N)c1C#N ZINC000036929505 172811235 /nfs/dbraw/zinc/81/12/35/172811235.db2.gz BKZMWDIVZLMCOM-UHFFFAOYSA-N 0 0 258.350 2.665 10 30 CFEERN N#Cc1ccc(CSc2ccc(N)cn2)c(F)c1 ZINC000037191851 173021503 /nfs/dbraw/zinc/02/15/03/173021503.db2.gz KAJXSKQAXBQODV-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1ccc(CCCC)cc1 ZINC000037250959 173063007 /nfs/dbraw/zinc/06/30/07/173063007.db2.gz NCMURHPYBIUTBJ-CYBMUJFWSA-N 0 0 258.365 2.579 10 30 CFEERN CSc1nn(-c2ccc(C)cc2C)c(N)c1C#N ZINC000037295397 173099507 /nfs/dbraw/zinc/09/95/07/173099507.db2.gz UURIOKNUEBDHFS-UHFFFAOYSA-N 0 0 258.350 2.665 10 30 CFEERN CCCNC(=O)[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000037393429 173173795 /nfs/dbraw/zinc/17/37/95/173173795.db2.gz BPSXVLFNTGFSPW-VIFPVBQESA-N 0 0 265.744 2.538 10 30 CFEERN CCN(Cc1ccccc1)c1ncc(N)cc1C#N ZINC000037758922 173684286 /nfs/dbraw/zinc/68/42/86/173684286.db2.gz PHPRZXHRDONLOI-UHFFFAOYSA-N 0 0 252.321 2.562 10 30 CFEERN N#C[C@@H](NCC1CC1)c1cc2c(c(Cl)c1)OCO2 ZINC000037946964 173888349 /nfs/dbraw/zinc/88/83/49/173888349.db2.gz LBECTCJRMLRBRQ-LLVKDONJSA-N 0 0 264.712 2.633 10 30 CFEERN N#C[C@H](NCC(F)(F)F)c1cc(F)ccc1F ZINC000037971220 173922655 /nfs/dbraw/zinc/92/26/55/173922655.db2.gz IMCKWHFDXKDQJO-VIFPVBQESA-N 0 0 250.170 2.681 10 30 CFEERN CC[C@@H](C)N[C@H](C#N)c1ccc2c(c1)OCCCO2 ZINC000038064532 174075527 /nfs/dbraw/zinc/07/55/27/174075527.db2.gz HIPHHFLYHBUVKC-DGCLKSJQSA-N 0 0 260.337 2.801 10 30 CFEERN CC1=C(C)C(=O)C([C@@H](C)c2cccnc2)=C(C)C1=O ZINC000038153639 174134180 /nfs/dbraw/zinc/13/41/80/174134180.db2.gz PBWLXDGSIPDOLK-NSHDSACASA-N 0 0 255.317 2.990 10 30 CFEERN COC(=O)[C@@]1(C)OC1(c1ccccc1)c1ccccc1 ZINC000038338038 174140140 /nfs/dbraw/zinc/14/01/40/174140140.db2.gz TWWCUZGZCQTFLJ-MRXNPFEDSA-N 0 0 268.312 2.892 10 30 CFEERN C#CCn1c(CCCNC(=O)CCC)nc2ccccc21 ZINC000040204429 174203976 /nfs/dbraw/zinc/20/39/76/174203976.db2.gz OISCQGXMKGZWCQ-UHFFFAOYSA-N 0 0 283.375 2.518 10 30 CFEERN Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2)c1 ZINC000040215238 174204574 /nfs/dbraw/zinc/20/45/74/174204574.db2.gz JIQOVAHLBUYTBN-OAHLLOKOSA-N 0 0 250.301 2.990 10 30 CFEERN Cc1nnc(Nc2ccc(F)c(F)c2)c(C#N)c1C ZINC000040217730 174206033 /nfs/dbraw/zinc/20/60/33/174206033.db2.gz ZYIHFUXZKKSEGP-UHFFFAOYSA-N 0 0 260.247 2.987 10 30 CFEERN Cc1sc(C(=O)Nc2ccc(C#N)cc2)cc1N ZINC000040294418 174223248 /nfs/dbraw/zinc/22/32/48/174223248.db2.gz UOZVANRIASVMFS-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN C=CCN(C(=O)c1cc(N)c(F)cc1F)C(C)C ZINC000040329046 174238222 /nfs/dbraw/zinc/23/82/22/174238222.db2.gz FDAZRKMZSCZDOR-UHFFFAOYSA-N 0 0 254.280 2.584 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(CO)cc1 ZINC000040421613 174257705 /nfs/dbraw/zinc/25/77/05/174257705.db2.gz KCQVRSSRPKUPAO-UHFFFAOYSA-N 0 0 270.244 2.751 10 30 CFEERN C=CCNc1ncnc(N(CC)c2ccccc2)c1N ZINC000040679460 174374624 /nfs/dbraw/zinc/37/46/24/174374624.db2.gz NIEJCGUVUQBVBN-UHFFFAOYSA-N 0 0 269.352 2.815 10 30 CFEERN CN(Cc1ccc(F)cc1)c1ccc(N)cc1C#N ZINC000041021001 174452119 /nfs/dbraw/zinc/45/21/19/174452119.db2.gz PDAHZWJERZFQNB-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN Cc1sc(C(=O)OCc2ccccc2C#N)cc1N ZINC000041101379 174480228 /nfs/dbraw/zinc/48/02/28/174480228.db2.gz FILGOVQGMUCDHF-UHFFFAOYSA-N 0 0 272.329 2.867 10 30 CFEERN C=CCNC(=O)c1nn(-c2ccccc2)c2c1CCCC2 ZINC000041460790 174555653 /nfs/dbraw/zinc/55/56/53/174555653.db2.gz GJJWYSIIWCUCFD-UHFFFAOYSA-N 0 0 281.359 2.667 10 30 CFEERN N#Cc1ccc(F)c(C[S@@](=O)c2ccccc2N)c1 ZINC000042194107 174655634 /nfs/dbraw/zinc/65/56/34/174655634.db2.gz YUBAKKCLHDEQFJ-IBGZPJMESA-N 0 0 274.320 2.587 10 30 CFEERN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000042301637 174677849 /nfs/dbraw/zinc/67/78/49/174677849.db2.gz OYMFNOAVZGZMGC-LLVKDONJSA-N 0 0 290.363 2.639 10 30 CFEERN C[C@@H](C#N)CN(C)c1nc2ccccc2cc1C=O ZINC000042455761 174747446 /nfs/dbraw/zinc/74/74/46/174747446.db2.gz SNHAHVQOEXDFAM-NSHDSACASA-N 0 0 253.305 2.643 10 30 CFEERN C[C@H](C#N)CN(C)c1ccc2scnc2c1[N+](=O)[O-] ZINC000042461164 174751348 /nfs/dbraw/zinc/75/13/48/174751348.db2.gz YXUXBUBTYHWKGL-MRVPVSSYSA-N 0 0 276.321 2.800 10 30 CFEERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(C#CCO)ccc1F ZINC000042597742 174815438 /nfs/dbraw/zinc/81/54/38/174815438.db2.gz QFOQAYUGDOHZFN-CYBMUJFWSA-N 0 0 291.366 2.676 10 30 CFEERN CCC(CC)N(CCOC)c1ccc(C#N)cc1N ZINC000042614480 174826925 /nfs/dbraw/zinc/82/69/25/174826925.db2.gz WPIGSMDHBWXXKP-UHFFFAOYSA-N 0 0 261.369 2.782 10 30 CFEERN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C#CCO)cc1 ZINC000042871201 174897627 /nfs/dbraw/zinc/89/76/27/174897627.db2.gz NBRXHFKIVDEXDX-RHSMWYFYSA-N 0 0 285.387 2.587 10 30 CFEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000188023001 260069802 /nfs/dbraw/zinc/06/98/02/260069802.db2.gz CVGPBZKEXXCIFL-YOEHRIQHSA-N 0 0 289.375 2.855 10 30 CFEERN Cc1ccc(C#N)c(OCc2ccc3c(c2)OCO3)n1 ZINC000043400087 175036595 /nfs/dbraw/zinc/03/65/95/175036595.db2.gz OGFIMUQPUFXYEX-UHFFFAOYSA-N 0 0 268.272 2.569 10 30 CFEERN N#Cc1cc2c(nc1Oc1ccc(N)c(F)c1)CCC2 ZINC000043473125 175053793 /nfs/dbraw/zinc/05/37/93/175053793.db2.gz MIICAORQJJATAU-UHFFFAOYSA-N 0 0 269.279 2.956 10 30 CFEERN C[C@@H](C#N)OC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000043519027 175061892 /nfs/dbraw/zinc/06/18/92/175061892.db2.gz OZYKOFKBBHISOW-YFKPBYRVSA-N 0 0 259.092 2.644 10 30 CFEERN CC(C)C[C@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043581961 175069707 /nfs/dbraw/zinc/06/97/07/175069707.db2.gz FRRDXDAQPQAZBS-ZDUSSCGKSA-N 0 0 291.366 2.724 10 30 CFEERN CCOC(=O)C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000043617796 175080362 /nfs/dbraw/zinc/08/03/62/175080362.db2.gz YKUJLOACZNWSCN-SECBINFHSA-N 0 0 266.728 2.965 10 30 CFEERN CCc1ccc(C(=O)Nc2ccccc2C#CCO)s1 ZINC000043640310 175084785 /nfs/dbraw/zinc/08/47/85/175084785.db2.gz WPSPHKPTUFZIQL-UHFFFAOYSA-N 0 0 285.368 2.907 10 30 CFEERN ON=C1CCN(Cc2sccc2Br)CC1 ZINC000043675738 175088262 /nfs/dbraw/zinc/08/82/62/175088262.db2.gz YLFAQGDYUVEHRZ-UHFFFAOYSA-N 0 0 289.198 2.937 10 30 CFEERN CN(Cc1ccc(C#CCO)s1)c1ccccc1 ZINC000043678848 175089493 /nfs/dbraw/zinc/08/94/93/175089493.db2.gz SGQDVYQWIZTTSR-UHFFFAOYSA-N 0 0 257.358 2.728 10 30 CFEERN Cc1ccc(CN(C)Cc2sccc2C#CCO)o1 ZINC000043679625 175090292 /nfs/dbraw/zinc/09/02/92/175090292.db2.gz CYPKLEMNFVDAIK-UHFFFAOYSA-N 0 0 275.373 2.625 10 30 CFEERN N#Cc1ccc(OCc2sccc2C#CCO)cc1 ZINC000043682546 175091407 /nfs/dbraw/zinc/09/14/07/175091407.db2.gz PVIBPADZAHFLHN-UHFFFAOYSA-N 0 0 269.325 2.543 10 30 CFEERN ON=C1CCN(Cc2cc(Br)cs2)CC1 ZINC000043687535 175094889 /nfs/dbraw/zinc/09/48/89/175094889.db2.gz CACQTKPOFXDHLJ-UHFFFAOYSA-N 0 0 289.198 2.937 10 30 CFEERN COc1cc(C#N)ccc1OCc1cc(C#CCO)cs1 ZINC000043698986 175096636 /nfs/dbraw/zinc/09/66/36/175096636.db2.gz BLDBCQMLRYOAOM-UHFFFAOYSA-N 0 0 299.351 2.551 10 30 CFEERN N#Cc1ccc(OCc2cc(C#CCO)cs2)cc1 ZINC000043699031 175096751 /nfs/dbraw/zinc/09/67/51/175096751.db2.gz 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/nfs/dbraw/zinc/29/40/64/520294064.db2.gz CBQNSLYCMKPABV-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CCNc1ccc(C(=O)Nc2cccc(F)c2C#N)cn1 ZINC000050756200 520296295 /nfs/dbraw/zinc/29/62/95/520296295.db2.gz STXGRLFOJZMLKY-UHFFFAOYSA-N 0 0 284.294 2.776 10 30 CFEERN CCNc1ccc(Cl)c(C(=O)N(CC)CCC#N)n1 ZINC000050786034 520305732 /nfs/dbraw/zinc/30/57/32/520305732.db2.gz KGLIKFJOLAKKCV-UHFFFAOYSA-N 0 0 280.759 2.543 10 30 CFEERN CC1(C)CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061821245 520371998 /nfs/dbraw/zinc/37/19/98/520371998.db2.gz IYYQNEICSIROON-AWEZNQCLSA-N 0 0 256.349 2.942 10 30 CFEERN CCCCN(C)c1cccc(Cl)c1/C(N)=N/O ZINC000052904044 520436515 /nfs/dbraw/zinc/43/65/15/520436515.db2.gz OMIIWQBPUDGWKJ-UHFFFAOYSA-N 0 0 255.749 2.671 10 30 CFEERN CCOC(=O)CN(CC)c1ccc(Cl)cc1C#N ZINC000052859313 520758567 /nfs/dbraw/zinc/75/85/67/520758567.db2.gz GIQWQYQCDNJMQU-UHFFFAOYSA-N 0 0 266.728 2.601 10 30 CFEERN CCN(CCC(=O)OC)c1cccc(Cl)c1C#N ZINC000052908398 520992593 /nfs/dbraw/zinc/99/25/93/520992593.db2.gz OIQMKAKEACDFOC-UHFFFAOYSA-N 0 0 266.728 2.601 10 30 CFEERN CC1CCN(c2ccc(/C(N)=N/O)c(Cl)c2)CC1 ZINC000061855692 521038240 /nfs/dbraw/zinc/03/82/40/521038240.db2.gz UOMHLWJBUSKBPV-UHFFFAOYSA-N 0 0 267.760 2.671 10 30 CFEERN CCOc1ccc(OCc2cccnc2C#N)cc1 ZINC000061664737 521180319 /nfs/dbraw/zinc/18/03/19/521180319.db2.gz STZPBSXFYWBUSD-UHFFFAOYSA-N 0 0 254.289 2.931 10 30 CFEERN CCN(Cc1ccco1)Cc1ccc(C#CCO)cc1F ZINC000049614749 521397742 /nfs/dbraw/zinc/39/77/42/521397742.db2.gz FEWNQXIZQYJTPK-UHFFFAOYSA-N 0 0 287.334 2.785 10 30 CFEERN CCOCCC(=O)[C@H](C#N)c1cc(F)cc(F)c1 ZINC000049350442 521678021 /nfs/dbraw/zinc/67/80/21/521678021.db2.gz GAIMJJQGVSUPQL-GFCCVEGCSA-N 0 0 253.248 2.568 10 30 CFEERN CNc1ccc(Cl)cc1C(=O)N(C)C[C@@H](C)C#N ZINC000050775878 522624804 /nfs/dbraw/zinc/62/48/04/522624804.db2.gz NQTGXRRUQCMIJM-VIFPVBQESA-N 0 0 265.744 2.613 10 30 CFEERN COc1cc(N)ccc1Oc1nc2c(cc1C#N)CCC2 ZINC000050505709 522627758 /nfs/dbraw/zinc/62/77/58/522627758.db2.gz RYJWXVPCLMLJED-UHFFFAOYSA-N 0 0 281.315 2.825 10 30 CFEERN CNc1ncccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000050746607 522708379 /nfs/dbraw/zinc/70/83/79/522708379.db2.gz QGMTXANFGILEAA-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CN(Cc1ccco1)Cc1ccc(C#CCCO)cc1F ZINC000049618193 523435677 /nfs/dbraw/zinc/43/56/77/523435677.db2.gz IEKHNXPHLNJETO-UHFFFAOYSA-N 0 0 287.334 2.785 10 30 CFEERN COC(=O)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049361445 523550068 /nfs/dbraw/zinc/55/00/68/523550068.db2.gz UFJSMWZGTFTIBK-SSDOTTSWSA-N 0 0 272.226 2.550 10 30 CFEERN COc1ccc(O)c([C@@H](C)Nc2nnc(C)c(C)c2C#N)c1 ZINC000301216985 524768562 /nfs/dbraw/zinc/76/85/62/524768562.db2.gz ZEPVTMJSFMGAHX-LLVKDONJSA-N 0 0 298.346 2.852 10 30 CFEERN C[C@@H](Cn1cccn1)Nc1cccc(Cl)c1C#N ZINC000052904207 524953207 /nfs/dbraw/zinc/95/32/07/524953207.db2.gz PIMSVZNNOZGRPQ-JTQLQIEISA-N 0 0 260.728 2.909 10 30 CFEERN Cc1cc(NCCC2=CCOCC2)c(C#N)c(C)n1 ZINC000158154611 525268012 /nfs/dbraw/zinc/26/80/12/525268012.db2.gz LEQOLGYETCLKNH-UHFFFAOYSA-N 0 0 257.337 2.719 10 30 CFEERN C[C@@H](NC(=O)c1ccoc1)c1cccc(C#CCCO)c1 ZINC000049589668 525367268 /nfs/dbraw/zinc/36/72/68/525367268.db2.gz GZZFVMFLZZODNW-CYBMUJFWSA-N 0 0 283.327 2.505 10 30 CFEERN Cc1cc(SCc2ccc(C#CCO)cc2F)n(C)n1 ZINC000052311631 525437162 /nfs/dbraw/zinc/43/71/62/525437162.db2.gz WNKXKAQDIZSATL-UHFFFAOYSA-N 0 0 290.363 2.504 10 30 CFEERN Cc1cc(Sc2ccc(Cl)cc2/C(N)=N/O)n(C)n1 ZINC000052860931 525442607 /nfs/dbraw/zinc/44/26/07/525442607.db2.gz YZDSZSJQQKNQDX-UHFFFAOYSA-N 0 0 296.783 2.628 10 30 CFEERN C[C@H](NCc1cccnc1C#N)c1ccccc1F ZINC000061658358 525465889 /nfs/dbraw/zinc/46/58/89/525465889.db2.gz OPXLYCYJVKRURY-NSHDSACASA-N 0 0 255.296 2.943 10 30 CFEERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C#CCCO)c1 ZINC000050568470 525637259 /nfs/dbraw/zinc/63/72/59/525637259.db2.gz OUXNOMMIFNILPH-LSDHHAIUSA-N 0 0 285.387 2.681 10 30 CFEERN Cc1c(C)n(Cc2ccc(F)c(F)c2)c(N)c1C#N ZINC000049578037 525685035 /nfs/dbraw/zinc/68/50/35/525685035.db2.gz IFINPUJYYJXECZ-UHFFFAOYSA-N 0 0 261.275 2.885 10 30 CFEERN Cc1ccsc1C(=O)N(C)Cc1cccc(C#CCO)c1 ZINC000049588753 525816289 /nfs/dbraw/zinc/81/62/89/525816289.db2.gz AVOJEOPDVGDMTF-UHFFFAOYSA-N 0 0 299.395 2.673 10 30 CFEERN Cc1ccsc1C(=O)NCc1ccccc1C#CCCO ZINC000049589253 525825922 /nfs/dbraw/zinc/82/59/22/525825922.db2.gz QFQMHDDJJMQBOA-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN C[C@H](C#N)CN(C)CC(=O)c1ccc(Cl)s1 ZINC000050144561 525919547 /nfs/dbraw/zinc/91/95/47/525919547.db2.gz MPGBLXDENWDZRZ-MRVPVSSYSA-N 0 0 256.758 2.676 10 30 CFEERN C[C@H](C#N)NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000068924990 525921292 /nfs/dbraw/zinc/92/12/92/525921292.db2.gz GRFMRJYYPVYYFN-SNVBAGLBSA-N 0 0 262.740 2.790 10 30 CFEERN CSc1ccc(C(=O)CN(C)[C@H](C)CC#N)cc1 ZINC000063087560 525950918 /nfs/dbraw/zinc/95/09/18/525950918.db2.gz CBCRMMNQQDPUJQ-LLVKDONJSA-N 0 0 262.378 2.825 10 30 CFEERN Cc1ccc(C#N)cc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000050430136 526006510 /nfs/dbraw/zinc/00/65/10/526006510.db2.gz NFBPQRTUAXVQTR-QGZVFWFLSA-N 0 0 277.327 2.884 10 30 CFEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)cc2F)o1 ZINC000220936238 526126850 /nfs/dbraw/zinc/12/68/50/526126850.db2.gz CJLCIYDQPMEDNP-SNVBAGLBSA-N 0 0 259.284 2.845 10 30 CFEERN COc1cccc(N(C)Cc2cccc(C#CCO)c2)c1 ZINC000049971198 526132075 /nfs/dbraw/zinc/13/20/75/526132075.db2.gz UISBSGZYJHALRJ-UHFFFAOYSA-N 0 0 281.355 2.675 10 30 CFEERN Cc1cnc([C@H](C)NCc2ccc(F)c(C#N)c2)o1 ZINC000230647122 526158102 /nfs/dbraw/zinc/15/81/02/526158102.db2.gz LXKABABJSIHMHA-JTQLQIEISA-N 0 0 259.284 2.845 10 30 CFEERN C[C@H]1CCCN(C(=O)c2ccc(C#CCCO)s2)[C@H]1C ZINC000050568485 526266650 /nfs/dbraw/zinc/26/66/50/526266650.db2.gz IBHITSYRNJDRHH-STQMWFEESA-N 0 0 291.416 2.743 10 30 CFEERN Cc1nnc(SCc2ccc(C#CCCO)cc2F)o1 ZINC000051038636 526386447 /nfs/dbraw/zinc/38/64/47/526386447.db2.gz XMRQHPIJMKYXME-UHFFFAOYSA-N 0 0 292.335 2.543 10 30 CFEERN N#CCCCCN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000049578704 526444495 /nfs/dbraw/zinc/44/44/95/526444495.db2.gz SDQDHCKKAAPPTM-UHFFFAOYSA-N 0 0 262.696 2.563 10 30 CFEERN N#C[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1 ZINC000069393917 526495796 /nfs/dbraw/zinc/49/57/96/526495796.db2.gz FAXMOBWYPNXPRA-LSDHHAIUSA-N 0 0 272.348 2.717 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000061888796 526513409 /nfs/dbraw/zinc/51/34/09/526513409.db2.gz GIHSSMPJSMARHQ-RNCFNFMXSA-N 0 0 280.730 2.830 10 30 CFEERN N#Cc1cc(F)c(NCCC2=CCOCC2)c(F)c1 ZINC000158110202 526555943 /nfs/dbraw/zinc/55/59/43/526555943.db2.gz WCSYRASWBIZORO-UHFFFAOYSA-N 0 0 264.275 2.985 10 30 CFEERN N#Cc1ccc(OCCCOc2ccccc2)c(N)c1 ZINC000061815579 526672521 /nfs/dbraw/zinc/67/25/21/526672521.db2.gz NVCINSDYEAHVJB-UHFFFAOYSA-N 0 0 268.316 2.988 10 30 CFEERN N#Cc1ccc(OCc2cccc(C#CCCO)c2)cc1 ZINC000049620448 526677128 /nfs/dbraw/zinc/67/71/28/526677128.db2.gz FEXSAOVZAIQKEE-UHFFFAOYSA-N 0 0 277.323 2.871 10 30 CFEERN O=C(NCc1cccc(C#CCO)c1)c1ccc(Cl)cc1 ZINC000049588137 526710929 /nfs/dbraw/zinc/71/09/29/526710929.db2.gz FWANSNKJVXTZAC-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN N/C(=N/O)c1cc(Cl)ccc1N1CCCCCC1 ZINC000052860480 526801572 /nfs/dbraw/zinc/80/15/72/526801572.db2.gz XCFCURWCMJLTGN-UHFFFAOYSA-N 0 0 267.760 2.815 10 30 CFEERN C=CCO[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 ZINC000302125855 526820194 /nfs/dbraw/zinc/82/01/94/526820194.db2.gz FPEPZJFTAHPVQL-SNVBAGLBSA-N 0 0 272.270 2.882 10 30 CFEERN Cc1nc([C@H](C)NC(=O)c2cccc(C#N)c2)cs1 ZINC000170497328 527062830 /nfs/dbraw/zinc/06/28/30/527062830.db2.gz MLQQWFAYIJLNGX-VIFPVBQESA-N 0 0 271.345 2.814 10 30 CFEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1ccco1 ZINC000061691730 527102164 /nfs/dbraw/zinc/10/21/64/527102164.db2.gz QSCCVRQBKLMIKS-UHFFFAOYSA-N 0 0 289.718 2.919 10 30 CFEERN OCC#Cc1ccc(COc2ccc(F)cc2)c(F)c1 ZINC000049620391 527518968 /nfs/dbraw/zinc/51/89/68/527518968.db2.gz MHSVVFJZEQJTME-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCC#Cc1ccc(COc2ccc(F)cc2F)cc1 ZINC000049620036 527519199 /nfs/dbraw/zinc/51/91/99/527519199.db2.gz AIKIIWINMWXLJC-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCC#Cc1ccc(COc2ccccc2F)c(F)c1 ZINC000049620189 527519784 /nfs/dbraw/zinc/51/97/84/527519784.db2.gz XLYWXVYJSQWVEK-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCC#Cc1ccc2cc(OC3CCOCC3)ccc2c1 ZINC000069310384 527520120 /nfs/dbraw/zinc/52/01/20/527520120.db2.gz VVPXWDUDPGSANT-UHFFFAOYSA-N 0 0 282.339 2.741 10 30 CFEERN OCC#Cc1ccccc1COc1ccccc1F ZINC000049620182 527520860 /nfs/dbraw/zinc/52/08/60/527520860.db2.gz CCCHZWKAXKIVFV-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN CC(N=Nc1ccc(Cl)nn1)c1cccc(N)c1 ZINC000097991486 527537567 /nfs/dbraw/zinc/53/75/67/527537567.db2.gz YMXOTNLTPOEEDL-NVNXTCNLSA-N 0 0 261.716 2.548 10 30 CFEERN CC(C)n1nnnc1CSCc1cccc(C#N)c1 ZINC000176911006 528702872 /nfs/dbraw/zinc/70/28/72/528702872.db2.gz GWNJAMJUEAHPAT-UHFFFAOYSA-N 0 0 273.365 2.559 10 30 CFEERN CC(C)n1nnnc1CSCc1cc(C#N)ccc1F ZINC000176911024 528702888 /nfs/dbraw/zinc/70/28/88/528702888.db2.gz KROLKIOEBBSUSI-UHFFFAOYSA-N 0 0 291.355 2.698 10 30 CFEERN CCS[C@H]1CC[C@]1(O)CNc1ccc(C#N)cc1F ZINC000301503410 529234750 /nfs/dbraw/zinc/23/47/50/529234750.db2.gz YLCYLCMMHCTOEU-KBPBESRZSA-N 0 0 280.368 2.756 10 30 CFEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccc(Cl)cc1 ZINC000234589923 567851919 /nfs/dbraw/zinc/85/19/19/567851919.db2.gz FSOILIMTFMSKOH-GHMZBOCLSA-N 0 0 261.104 2.694 10 30 CFEERN COC(=O)[C@@]1(Cl)O[C@]1(C)CCCC(F)(F)F ZINC000234588504 567852138 /nfs/dbraw/zinc/85/21/38/567852138.db2.gz SWCNHGFXKFRZEA-VXNVDRBHSA-N 0 0 260.639 2.616 10 30 CFEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(Cl)cc1 ZINC000234597922 567853284 /nfs/dbraw/zinc/85/32/84/567853284.db2.gz FSOILIMTFMSKOH-MNOVXSKESA-N 0 0 261.104 2.694 10 30 CFEERN CC[C@H](C#N)OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000176003401 617738609 /nfs/dbraw/zinc/73/86/09/617738609.db2.gz XFNYDYBMAJRQTL-MXWKQRLJSA-N 0 0 265.259 2.914 10 30 CFEERN CC(C)(C)OC(=O)N1C[C@H](S)CC2(CCOCC2)C1 ZINC000757164333 617860198 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COC(=O)c1ccc(CNc2cc(C#N)ccc2C(C)=O)o1 ZINC000302659468 201501771 /nfs/dbraw/zinc/50/17/71/201501771.db2.gz DQIAFZPNUUDPJX-UHFFFAOYSA-N 0 0 298.298 2.753 10 30 CFEERN Cc1ccc(NCC[S@@](=O)Cc2ccccc2)nc1C#N ZINC000302672820 201504760 /nfs/dbraw/zinc/50/47/60/201504760.db2.gz SESRLGPELDMJBX-OAQYLSRUSA-N 0 0 299.399 2.623 10 30 CFEERN O=C(NO)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000226290964 189771632 /nfs/dbraw/zinc/77/16/32/189771632.db2.gz PKDQXKKDLSVZRS-UHFFFAOYSA-N 0 0 281.267 2.579 10 30 CFEERN N#Cc1nc(NCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000236421058 189833184 /nfs/dbraw/zinc/83/31/84/189833184.db2.gz SOGKRCAIPWVBRB-UHFFFAOYSA-N 0 0 268.276 2.516 10 30 CFEERN N#Cc1nc(NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000236420093 189833511 /nfs/dbraw/zinc/83/35/11/189833511.db2.gz OZPYTZOKFSTAMX-UHFFFAOYSA-N 0 0 260.297 2.996 10 30 CFEERN CN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CCCC2=O ZINC000000351228 371592713 /nfs/dbraw/zinc/59/27/13/371592713.db2.gz YVQJCSQMSHUTNU-AWEZNQCLSA-N 0 0 274.295 2.529 10 30 CFEERN C=C[C@H](O)C#CC#C/C=C/[C@H](O)CCCCCCC ZINC000001858769 371710336 /nfs/dbraw/zinc/71/03/36/371710336.db2.gz DSVMWGREWREVQQ-XYXDXOEKSA-N 0 0 260.377 2.818 10 30 biogenic,in-vitro CFEERN C=CCc1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O ZINC000013454754 372028688 /nfs/dbraw/zinc/02/86/88/372028688.db2.gz JPOLNUFLXGMJFN-UHFFFAOYSA-N 0 0 294.306 2.905 10 30 CFEERN CCCCC[C@@H](O)/C=C/C=C/C#CC#CCCCO ZINC000013835255 372051712 /nfs/dbraw/zinc/05/17/12/372051712.db2.gz UYZBGAFJAALREV-FSQPMHOZSA-N 0 0 260.377 2.819 10 30 CFEERN CS(=O)(=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000016948342 372121011 /nfs/dbraw/zinc/12/10/11/372121011.db2.gz XSBBBXAOKGALNI-UHFFFAOYSA-N 0 0 257.314 2.629 10 30 CFEERN C=CCNC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000028233979 372360644 /nfs/dbraw/zinc/36/06/44/372360644.db2.gz MBJVYGFLRVAZER-SSDOTTSWSA-N 0 0 295.692 2.727 10 30 CFEERN CCOc1ccc(C(C)=Nn2c(C)n[nH]c2=S)cc1 ZINC000027526211 372343613 /nfs/dbraw/zinc/34/36/13/372343613.db2.gz CFXLUXATRXUEQB-CXUHLZMHSA-N 0 0 276.365 2.920 10 30 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375808765 /nfs/dbraw/zinc/80/87/65/375808765.db2.gz NXRLDGGBUDENOJ-NWDGAFQWSA-N 0 0 260.337 2.559 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000124904609 377101570 /nfs/dbraw/zinc/10/15/70/377101570.db2.gz LMJBFNYYIAMBPB-CZUORRHYSA-N 0 0 266.348 2.654 10 30 CFEERN C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CCCO1 ZINC000133589615 377942220 /nfs/dbraw/zinc/94/22/20/377942220.db2.gz BWVUCARFAOBTQW-PRHODGIISA-N 0 0 252.264 2.816 10 30 CFEERN N#Cc1ccc(CN[C@H]2COc3ccccc32)s1 ZINC000135690740 378158412 /nfs/dbraw/zinc/15/84/12/378158412.db2.gz VSFBVVGNGDPRCV-ZDUSSCGKSA-N 0 0 256.330 2.843 10 30 CFEERN COC(=O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000158130127 378664136 /nfs/dbraw/zinc/66/41/36/378664136.db2.gz AIBFKVXKWYGSEH-CQSZACIVSA-N 0 0 291.778 2.577 10 30 CFEERN CCCC(C#N)(CCC)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000157133411 378650974 /nfs/dbraw/zinc/65/09/74/378650974.db2.gz ICZHFBQRENDBCZ-VXGBXAGGSA-N 0 0 252.358 2.533 10 30 CFEERN CCCC(C#N)(CCC)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000157133025 378650982 /nfs/dbraw/zinc/65/09/82/378650982.db2.gz ICZHFBQRENDBCZ-RYUDHWBXSA-N 0 0 252.358 2.533 10 30 CFEERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1C#N ZINC000160947783 378811644 /nfs/dbraw/zinc/81/16/44/378811644.db2.gz LQLYXVREIXYUET-NSHDSACASA-N 0 0 292.354 2.859 10 30 CFEERN COC(=O)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000160964341 378812103 /nfs/dbraw/zinc/81/21/03/378812103.db2.gz ROBSGAXUIBTTCQ-HNNXBMFYSA-N 0 0 291.778 2.719 10 30 CFEERN N#Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccc1F ZINC000161006982 378814097 /nfs/dbraw/zinc/81/40/97/378814097.db2.gz VZXUSPVPVCALEE-JKSUJKDBSA-N 0 0 274.339 2.841 10 30 CFEERN C[C@@H]1OCC[C@@H]1Nc1cccc(Br)c1C#N ZINC000165003207 379030360 /nfs/dbraw/zinc/03/03/60/379030360.db2.gz RVKUCSZZXDVCCS-KWQFWETISA-N 0 0 281.153 2.910 10 30 CFEERN CC(C)(C)C(=O)N=C1N[C@@]2(CCCCO2)CCS1 ZINC000169316241 379105130 /nfs/dbraw/zinc/10/51/30/379105130.db2.gz AWNSDKBVZXPQOZ-CYBMUJFWSA-N 0 0 270.398 2.538 10 30 CFEERN C[C@H](COCc1ccccc1)Nc1ncccc1C#N ZINC000172781553 379646424 /nfs/dbraw/zinc/64/64/24/379646424.db2.gz GURNMAGUBQKXJY-CYBMUJFWSA-N 0 0 267.332 2.970 10 30 CFEERN CCc1nc(C2(NCc3ccc(C#N)o3)CCCC2)no1 ZINC000174328207 379865832 /nfs/dbraw/zinc/86/58/32/379865832.db2.gz VTTKTGYSGZGERN-UHFFFAOYSA-N 0 0 286.335 2.656 10 30 CFEERN C[C@@H](C#N)N1CCC2(CC1)OCCc1ccsc12 ZINC000336390386 380336504 /nfs/dbraw/zinc/33/65/04/380336504.db2.gz OMYPKCJGRWQKHY-NSHDSACASA-N 0 0 262.378 2.524 10 30 CFEERN Cc1ccc2c(c1)[C@@H](NC(=O)C1(C#N)CCOCC1)[C@H](C)C2 ZINC000182229971 381032005 /nfs/dbraw/zinc/03/20/05/381032005.db2.gz GOPOCGXAHVWQHT-CJNGLKHVSA-N 0 0 298.386 2.665 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCCOc1ccccc1 ZINC000359679022 381551565 /nfs/dbraw/zinc/55/15/65/381551565.db2.gz QTRNVBGZDKNNIA-ZFWWWQNUSA-N 0 0 272.348 2.654 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000185517861 381654936 /nfs/dbraw/zinc/65/49/36/381654936.db2.gz HURFFKLFSOFDFO-NEPJUHHUSA-N 0 0 280.393 2.645 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](c2nccs2)C1 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ZINC000575383328 382763441 /nfs/dbraw/zinc/76/34/41/382763441.db2.gz PTPJMXZISDRZRD-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1Cl ZINC000575383536 382763457 /nfs/dbraw/zinc/76/34/57/382763457.db2.gz ZCCGTBQPKAKSEA-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1c(C#N)c(Cl)ccc1C(F)(F)F ZINC000575383234 382763576 /nfs/dbraw/zinc/76/35/76/382763576.db2.gz KNQDSVCHAFIUIK-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1OC(F)F ZINC000575385185 382763812 /nfs/dbraw/zinc/76/38/12/382763812.db2.gz ATWYGOOQEWCDLJ-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(CC)c(OC(F)F)c1 ZINC000575385287 382763931 /nfs/dbraw/zinc/76/39/31/382763931.db2.gz IPYJSRFQWWMXFM-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)c1ccc(OC(F)F)c(C#N)c1C(F)F ZINC000575385364 382763941 /nfs/dbraw/zinc/76/39/41/382763941.db2.gz MXJSCHSAVRTDSL-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCc1c(C#N)ccc(C(=O)OC)c1OC(F)F ZINC000575385513 382764145 /nfs/dbraw/zinc/76/41/45/382764145.db2.gz WTQUQENEKYAQLL-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)c1ccc(OC(F)F)c(C(F)F)c1C#N ZINC000575385507 382764183 /nfs/dbraw/zinc/76/41/83/382764183.db2.gz WKXGGHHEEIPHPQ-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1cc(C)c(OC(F)F)cc1C#N ZINC000575388477 382764802 /nfs/dbraw/zinc/76/48/02/382764802.db2.gz VTUBQSRUVHQTSA-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)c1cc(C)c(OC(F)F)c(C#N)c1 ZINC000575388612 382764852 /nfs/dbraw/zinc/76/48/52/382764852.db2.gz NTGSNBJFAJTCHF-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1c(CC(=O)OC)cc(C#N)cc1OC(F)(F)F ZINC000575388917 382765279 /nfs/dbraw/zinc/76/52/79/382765279.db2.gz LBANFTMNLBQTLF-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(C#N)cc(CC(=O)OC)c1C(F)(F)F ZINC000575389245 382765487 /nfs/dbraw/zinc/76/54/87/382765487.db2.gz DBUDEJJASTWUQU-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(C#N)cc(C(F)(F)F)c1C(=O)OC ZINC000575389594 382765743 /nfs/dbraw/zinc/76/57/43/382765743.db2.gz LMEDDYQYNORMOS-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1ccc(C(F)F)c(C#N)c1CC(=O)OC ZINC000575389957 382766001 /nfs/dbraw/zinc/76/60/01/382766001.db2.gz WPYWHXVANJDDLC-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(F)c1C(F)F ZINC000575389904 382766105 /nfs/dbraw/zinc/76/61/05/382766105.db2.gz UJVKJZTZHWTPAD-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1cc(CC(=O)OC)c(C#N)c(C(F)(F)F)c1 ZINC000575389801 382766126 /nfs/dbraw/zinc/76/61/26/382766126.db2.gz OWCVKYRURCYWLE-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(C(=O)OC)c(C#N)c(C(F)(F)F)c1 ZINC000575389803 382766128 /nfs/dbraw/zinc/76/61/28/382766128.db2.gz OYZWHFZUKLCJPC-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1c(F)cc(OC(F)(F)F)cc1C#N ZINC000575390421 382766222 /nfs/dbraw/zinc/76/62/22/382766222.db2.gz KPAVCGFJPHSQPQ-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C#N)c(OC(F)(F)F)c1 ZINC000575390480 382766479 /nfs/dbraw/zinc/76/64/79/382766479.db2.gz PETXXANWLVXTIE-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)Cc1ccc(F)c(C#N)c1OC(F)(F)F ZINC000575390494 382766535 /nfs/dbraw/zinc/76/65/35/382766535.db2.gz QDQXQBOAMZAYMR-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1cc(C)c(OC(F)(F)F)cc1C#N ZINC000575394094 382767932 /nfs/dbraw/zinc/76/79/32/382767932.db2.gz AUMIYYHMODVJDE-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C)c1OC(F)(F)F ZINC000575394227 382767949 /nfs/dbraw/zinc/76/79/49/382767949.db2.gz IJZUILPWWDCVLC-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1c(C)ccc(C#N)c1OC(F)(F)F ZINC000575394140 382768000 /nfs/dbraw/zinc/76/80/00/382768000.db2.gz FKNALADPKHEVBA-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C ZINC000575394439 382768132 /nfs/dbraw/zinc/76/81/32/382768132.db2.gz IDHNEDZWYFMBKJ-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C)cc1C#N ZINC000575394695 382768141 /nfs/dbraw/zinc/76/81/41/382768141.db2.gz LLUIBKXASVWQAF-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)c(OC)c1 ZINC000575394584 382768244 /nfs/dbraw/zinc/76/82/44/382768244.db2.gz LGZWKHDJOMRQBW-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1C ZINC000575394655 382768254 /nfs/dbraw/zinc/76/82/54/382768254.db2.gz INNJPKDDRHJEQN-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN COC(=O)c1cc(OC)cc(C#N)c1SC(F)(F)F ZINC000575394594 382768258 /nfs/dbraw/zinc/76/82/58/382768258.db2.gz MGWHDSYXGQISTO-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1cc(OC)c(C#N)cc1C(F)(F)F ZINC000575395117 382768568 /nfs/dbraw/zinc/76/85/68/382768568.db2.gz XGZLNNPXXUHZQY-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)Cc1cc(C)c(C(F)(F)F)cc1C#N ZINC000575395306 382768791 /nfs/dbraw/zinc/76/87/91/382768791.db2.gz XJKJKGPUNBDGHD-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1C(F)(F)F ZINC000575395902 382768869 /nfs/dbraw/zinc/76/88/69/382768869.db2.gz VJYHZAGRFPNYKC-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN COC(=O)Cc1cc(C)cc(C#N)c1C(F)(F)F ZINC000575395304 382768908 /nfs/dbraw/zinc/76/89/08/382768908.db2.gz XHLPRFLRQVKFTH-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1C(F)(F)F ZINC000575395476 382769032 /nfs/dbraw/zinc/76/90/32/382769032.db2.gz DZXRYSAGSJGDCW-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN N#CCc1cc(OC(F)F)nc(C(F)(F)F)c1 ZINC000575396936 382769227 /nfs/dbraw/zinc/76/92/27/382769227.db2.gz WHFYILZDCPKWGH-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1cncc(C(F)(F)F)c1OC(F)F ZINC000575396900 382769260 /nfs/dbraw/zinc/76/92/60/382769260.db2.gz CQHXMHQIFXPETB-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN COC(=O)Cc1cc(C#N)c(Cl)cc1C(F)F ZINC000575712403 382793917 /nfs/dbraw/zinc/79/39/17/382793917.db2.gz HYANSRPYBKTQSW-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN N#Cc1c(=O)[nH]c(Cc2ccccc2)c2c1CCCC2 ZINC000196344966 382770959 /nfs/dbraw/zinc/77/09/59/382770959.db2.gz GKLWJOWCWNIVQH-UHFFFAOYSA-N 0 0 264.328 2.716 10 30 CFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CSCC(C)(C)C1 ZINC000575496133 382773043 /nfs/dbraw/zinc/77/30/43/382773043.db2.gz DWKFCAYHPAHAKN-CYBMUJFWSA-N 0 0 270.398 2.937 10 30 CFEERN C[C@H](C#N)Nc1ccc(I)cc1F ZINC000575493300 382773060 /nfs/dbraw/zinc/77/30/60/382773060.db2.gz QHGMLYCWDISUSH-ZCFIWIBFSA-N 0 0 290.079 2.754 10 30 CFEERN N#CCc1c(N)ccc(Br)c1OC(F)F ZINC000575714779 382794495 /nfs/dbraw/zinc/79/44/95/382794495.db2.gz RFCDDIQBUQLFAA-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN COc1cc(OC(F)(F)F)c(C#N)cc1CC#N ZINC000575646568 382777637 /nfs/dbraw/zinc/77/76/37/382777637.db2.gz HNAMLMJRSNBPHY-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN COc1cc(OC(F)(F)F)c(CC#N)cc1C#N ZINC000575650944 382778333 /nfs/dbraw/zinc/77/83/33/382778333.db2.gz XLPRTNAILCAKHW-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN CCOc1cc(OC)c(CC#N)cc1OC(F)F ZINC000575657589 382780018 /nfs/dbraw/zinc/78/00/18/382780018.db2.gz NBZDIJISBIXFKF-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1cc(CC#N)c(C=O)c(OC(F)F)c1 ZINC000575657968 382780351 /nfs/dbraw/zinc/78/03/51/382780351.db2.gz ZJKAHOWNGAPYPF-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(OC(F)F)cc1O ZINC000575662128 382781480 /nfs/dbraw/zinc/78/14/80/382781480.db2.gz REJDDKCFBJKZJC-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCOc1c(C(F)F)cc(CC#N)cc1[N+](=O)[O-] ZINC000575665185 382782335 /nfs/dbraw/zinc/78/23/35/382782335.db2.gz CFYDURJBJFMHGM-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#CCc1c(N)ccc(I)c1Cl ZINC000575715912 382795036 /nfs/dbraw/zinc/79/50/36/382795036.db2.gz YRXUCPJHXKOKOJ-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(OCC)cc1C#N ZINC000575669885 382783264 /nfs/dbraw/zinc/78/32/64/382783264.db2.gz AIUVNKPLWRABLW-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(C#N)c(F)cc1I ZINC000575670524 382783533 /nfs/dbraw/zinc/78/35/33/382783533.db2.gz KMRXEJPSXIWVBY-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(F)c(C#N)cc1I ZINC000575670045 382783679 /nfs/dbraw/zinc/78/36/79/382783679.db2.gz DHYILRVSHPMGFP-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c([N+](=O)[O-])ccc(C#N)c1C(F)(F)F ZINC000575671958 382783965 /nfs/dbraw/zinc/78/39/65/382783965.db2.gz ZNUCPLBNBMXEOT-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN C=CCC[C@H](OCC=C)c1c([N+](=O)[O-])cnn1C ZINC000216873713 382784752 /nfs/dbraw/zinc/78/47/52/382784752.db2.gz OYPSPZXSYUDUDW-NSHDSACASA-N 0 0 251.286 2.538 10 30 CFEERN COc1c(CC#N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575678641 382785389 /nfs/dbraw/zinc/78/53/89/382785389.db2.gz JCHDXNVWFCLODN-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1CC#N ZINC000575679490 382785572 /nfs/dbraw/zinc/78/55/72/382785572.db2.gz UIIWLKSJQXPWFT-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1c(N)cc(C(F)(F)F)cc1OC(F)F ZINC000575716819 382795272 /nfs/dbraw/zinc/79/52/72/382795272.db2.gz FTMSEKCGEBQERB-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN Cc1cc(I)cc(F)c1CC#N ZINC000575704314 382791936 /nfs/dbraw/zinc/79/19/36/382791936.db2.gz CIUGVRNDTJWJMR-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN CCOC(=O)c1cc(Cl)c(OC(F)F)c(C#N)c1 ZINC000575343047 382759664 /nfs/dbraw/zinc/75/96/64/382759664.db2.gz XOVBJEZRGHKYAO-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)c1c(C#N)cc(Cl)cc1OC(F)F ZINC000575343048 382759762 /nfs/dbraw/zinc/75/97/62/382759762.db2.gz YIBYMLYHLFBSMI-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1[N+](=O)[O-] ZINC000575343909 382760024 /nfs/dbraw/zinc/76/00/24/382760024.db2.gz JHBAZTTZAVOLSV-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1OC ZINC000575343652 382760139 /nfs/dbraw/zinc/76/01/39/382760139.db2.gz WBSPWJRTQYIJGS-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000575344965 382760283 /nfs/dbraw/zinc/76/02/83/382760283.db2.gz KMWWASQCMXSRDE-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1F ZINC000575344924 382760331 /nfs/dbraw/zinc/76/03/31/382760331.db2.gz JMJBXMIJHLCPNZ-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C#N)cc1C(F)(F)F ZINC000575344921 382760358 /nfs/dbraw/zinc/76/03/58/382760358.db2.gz JASOERRSUSZCOO-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CN(OC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000223919095 382808246 /nfs/dbraw/zinc/80/82/46/382808246.db2.gz KHQYLUWICFMLIW-UHFFFAOYSA-N 0 0 251.282 2.625 10 30 CFEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccco1 ZINC000235540956 382883401 /nfs/dbraw/zinc/88/34/01/382883401.db2.gz NXEVFWDFEUYTEH-QMMMGPOBSA-N 0 0 258.237 2.628 10 30 CFEERN C#CCCC(=O)Nc1cnc(Br)c(C)c1 ZINC000235750432 382887824 /nfs/dbraw/zinc/88/78/24/382887824.db2.gz DOKAJATWROLNLZ-UHFFFAOYSA-N 0 0 267.126 2.504 10 30 CFEERN C=CC[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)CC=C ZINC000245766163 383033823 /nfs/dbraw/zinc/03/38/23/383033823.db2.gz JMHIMJMTICRUMT-PYHGIMPFSA-N 0 0 292.423 2.564 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248459517 383246707 /nfs/dbraw/zinc/24/67/07/383246707.db2.gz VTTBWLCATLQFNT-BBBLOLIVSA-N 0 0 277.290 2.566 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000248614322 383272489 /nfs/dbraw/zinc/27/24/89/383272489.db2.gz HWSGLHVUQWJQTL-BFHYXJOUSA-N 0 0 251.370 2.759 10 30 CFEERN CC(=NNC(N)=S)c1ccc(-c2ccccc2)cc1 ZINC000252448489 383408180 /nfs/dbraw/zinc/40/81/80/383408180.db2.gz XDGIFUBPAVQFCJ-UHFFFAOYSA-N 0 0 269.373 2.911 10 30 CFEERN CCn1c2ccccc2c2cc(C=NNC(N)=S)ccc21 ZINC000252447175 383408500 /nfs/dbraw/zinc/40/85/00/383408500.db2.gz GTQXMOOHTNHNQW-UHFFFAOYSA-N 0 0 296.399 2.982 10 30 CFEERN C#CCCCC(=O)N[C@H](C)COCc1ccccc1 ZINC000192142051 533021138 /nfs/dbraw/zinc/02/11/38/533021138.db2.gz ZVWCVXLVAGNXHJ-CQSZACIVSA-N 0 0 259.349 2.511 10 30 CFEERN O=S(=O)(/N=C\c1cccs1)c1ccccc1 ZINC000102962024 296445319 /nfs/dbraw/zinc/44/53/19/296445319.db2.gz NGJBTQLCODSBAU-XFXZXTDPSA-N 0 0 251.332 2.556 10 30 CFEERN COc1c(CNC(=O)[C@@H]2CC23CCCC3)c(C)nn1C ZINC000329664445 533414231 /nfs/dbraw/zinc/41/42/31/533414231.db2.gz PMZJQLYRDXSHGZ-LBPRGKRZSA-N 0 0 277.368 2.774 10 30 CFEERN CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCO[C@@H]1C ZINC000192195097 130392401 /nfs/dbraw/zinc/39/24/01/130392401.db2.gz YAZAJUVDHBBQNI-YPMHNXCESA-N 0 0 289.331 2.677 10 30 CFEERN CCCCOC[C@H](O)CSc1nc(C)cc(C)c1C#N ZINC000193359790 130615811 /nfs/dbraw/zinc/61/58/11/130615811.db2.gz VHGARBSARZUWII-ZDUSSCGKSA-N 0 0 294.420 2.840 10 30 CFEERN C#CCN(CC1CC1)c1nc(C)nc2c1CCCC2 ZINC000302101083 393488773 /nfs/dbraw/zinc/48/87/73/393488773.db2.gz PZJQFMPYHRADHH-UHFFFAOYSA-N 0 0 255.365 2.513 10 30 CFEERN C=CCO[C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000302118085 393489026 /nfs/dbraw/zinc/48/90/26/393489026.db2.gz CORBSQTUKGABLO-ZDUSSCGKSA-N 0 0 262.740 2.993 10 30 CFEERN C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)s2)C1 ZINC000302129336 393490005 /nfs/dbraw/zinc/49/00/05/393490005.db2.gz GHKYIRYCAZGZAW-SNVBAGLBSA-N 0 0 267.398 2.617 10 30 CFEERN C#CCn1c2ccccc2c(=O)nc1-c1ccccc1 ZINC000032158251 393511748 /nfs/dbraw/zinc/51/17/48/393511748.db2.gz ZLYPVNFSSUGHIL-UHFFFAOYSA-N 0 0 260.296 2.697 10 30 CFEERN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000183073332 393517127 /nfs/dbraw/zinc/51/71/27/393517127.db2.gz LUZRRWXMXICWIN-ZDUSSCGKSA-N 0 0 264.369 2.663 10 30 CFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc(C)c1F ZINC000334261036 393586224 /nfs/dbraw/zinc/58/62/24/393586224.db2.gz XIYIXLHODFMEMM-DGCLKSJQSA-N 0 0 260.312 2.865 10 30 CFEERN N#Cc1ccc(NC[C@@H]2CCO[C@H]2c2ccccc2)nn1 ZINC000192247705 393619100 /nfs/dbraw/zinc/61/91/00/393619100.db2.gz WFUAIGRVJLOJNS-BBRMVZONSA-N 0 0 280.331 2.538 10 30 CFEERN CC(=O)N[C@@H](C)c1cccc(C#C[Si](C)(C)C)n1 ZINC000203253987 393749234 /nfs/dbraw/zinc/74/92/34/393749234.db2.gz FBLARMOIQCGVNC-NSHDSACASA-N 0 0 260.413 2.508 10 30 CFEERN Cn1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc21 ZINC000335738647 393695873 /nfs/dbraw/zinc/69/58/73/393695873.db2.gz VWEGORHIWBSBNW-RISCZKNCSA-N 0 0 267.332 2.600 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111399680 393885963 /nfs/dbraw/zinc/88/59/63/393885963.db2.gz VAPXGBFWRJGWHE-JSGCOSHPSA-N 0 0 253.305 2.590 10 30 CFEERN N#Cc1ccc(N2CC[C@H](CCO)C2)c(Br)c1 ZINC000127178787 394044904 /nfs/dbraw/zinc/04/49/04/394044904.db2.gz UFPJGXXPGDCZEG-SNVBAGLBSA-N 0 0 295.180 2.529 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000360333728 394149350 /nfs/dbraw/zinc/14/93/50/394149350.db2.gz AYWSLONYHNVCCQ-AAEUAGOBSA-N 0 0 292.766 2.917 10 30 CFEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(F)cc1F ZINC000134864034 394205408 /nfs/dbraw/zinc/20/54/08/394205408.db2.gz QFMWTCHXLBWAJH-ZANVPECISA-N 0 0 264.275 2.695 10 30 CFEERN CCCO[C@@H]1CCCN(c2ccc(N)cc2C#N)C1 ZINC000042421254 134889846 /nfs/dbraw/zinc/88/98/46/134889846.db2.gz WUTFXVYYPXFHRF-CQSZACIVSA-N 0 0 259.353 2.536 10 30 CFEERN C=CCN(CCO)c1ccc(C(F)(F)F)cc1C#N ZINC000157704922 394349225 /nfs/dbraw/zinc/34/92/25/394349225.db2.gz DHSMNGXEVBONNL-UHFFFAOYSA-N 0 0 270.254 2.562 10 30 CFEERN CCOC(=O)C1(C=O)CC(OCc2ccc(Cl)cc2)C1 ZINC000606302774 395113261 /nfs/dbraw/zinc/11/32/61/395113261.db2.gz VXNXPUCWPJPXHA-UHFFFAOYSA-N 0 0 296.750 2.767 10 30 CFEERN CCCCCCCCn1nc(N)nc1Br ZINC000231802129 543001966 /nfs/dbraw/zinc/00/19/66/543001966.db2.gz XBCMQKAURDNJKJ-UHFFFAOYSA-N 0 0 275.194 2.983 10 30 CFEERN C=CC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000405597070 543021580 /nfs/dbraw/zinc/02/15/80/543021580.db2.gz JQTAJRIJJZHRHX-NSHDSACASA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405504006 543020337 /nfs/dbraw/zinc/02/03/37/543020337.db2.gz OCVXTUMPCSJKGH-WDEREUQCSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000405626018 543022429 /nfs/dbraw/zinc/02/24/29/543022429.db2.gz QSQUPYIKQOEGPF-QWRGUYRKSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000405939561 543027044 /nfs/dbraw/zinc/02/70/44/543027044.db2.gz RVXIQUVWPMOYQQ-LLVKDONJSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000182939268 543034105 /nfs/dbraw/zinc/03/41/05/543034105.db2.gz FUKOUTLPFSVSIX-RKDXNWHRSA-N 0 0 288.800 2.699 10 30 CFEERN O=C(C#CBr)Nc1nc2ccccc2s1 ZINC000306521329 397641418 /nfs/dbraw/zinc/64/14/18/397641418.db2.gz NBZFCRGVMPNUQZ-UHFFFAOYSA-N 0 0 281.134 2.591 10 30 CFEERN Cc1ccc(S(=O)(=O)/N=C\c2ccccc2O)cc1 ZINC000103318533 292170162 /nfs/dbraw/zinc/17/01/62/292170162.db2.gz HTRHOPJRRZCQJM-GDNBJRDFSA-N 0 0 275.329 2.508 10 30 CFEERN N#Cc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 ZINC000003525484 169894033 /nfs/dbraw/zinc/89/40/33/169894033.db2.gz ZBPDOUKLNUIGSV-XDHOZWIPSA-N 0 0 294.383 2.556 10 30 CFEERN CC(C)(C)[C@H](Cc1ccc(C#N)cc1)C(=O)n1cncn1 ZINC000005354545 170089036 /nfs/dbraw/zinc/08/90/36/170089036.db2.gz MOZRFMOTSRMRCN-CQSZACIVSA-N 0 0 282.347 2.695 10 30 CFEERN C(=N\N1CCN(/N=C\c2ccccc2)CC1)\c1ccccc1 ZINC000005368898 170089908 /nfs/dbraw/zinc/08/99/08/170089908.db2.gz YXFDPIAJDPXNIK-IKBKFCNISA-N 0 0 292.386 2.672 10 30 CFEERN Cc1nc(C)c(-c2ccc(SCC#N)nn2)s1 ZINC000005442369 170099460 /nfs/dbraw/zinc/09/94/60/170099460.db2.gz NBLTYMGRBOTCBD-UHFFFAOYSA-N 0 0 262.363 2.833 10 30 CFEERN CCOc1ccc(N(OC(=O)C(C)(C)C)C(C)=O)cc1 ZINC000005863415 170148245 /nfs/dbraw/zinc/14/82/45/170148245.db2.gz MPNGGGGXPLRSTK-UHFFFAOYSA-N 0 0 279.336 2.943 10 30 CFEERN Cc1ccc([S@](=O)c2cccc(N)c2C#N)cc1 ZINC000005930948 170157367 /nfs/dbraw/zinc/15/73/67/170157367.db2.gz XFXABQQEGRMJPY-GOSISDBHSA-N 0 0 256.330 2.616 10 30 CFEERN CCOC(=O)C1=C(c2ccccc2)O[C@@H](CC)[C@H](C)C1=O ZINC000005954551 170162057 /nfs/dbraw/zinc/16/20/57/170162057.db2.gz JIIDXWVQFJHIRX-AAEUAGOBSA-N 0 0 288.343 2.975 10 30 CFEERN C=CCNC(=S)N/N=C/c1ccc(Cl)c(Cl)c1 ZINC000006185916 170181609 /nfs/dbraw/zinc/18/16/09/170181609.db2.gz UGHOTOMHLYIXQN-VIZOYTHASA-N 0 0 288.203 2.977 10 30 CFEERN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000006202250 170182616 /nfs/dbraw/zinc/18/26/16/170182616.db2.gz MEWKCOKPARYUAZ-RYUDHWBXSA-N 0 0 278.377 2.510 10 30 CFEERN N#Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006222287 170183439 /nfs/dbraw/zinc/18/34/39/170183439.db2.gz ZGGWHCPWYZCJKF-UHFFFAOYSA-N 0 0 267.244 2.719 10 30 CFEERN CSC(=S)N/N=C/c1nccc2ccccc21 ZINC000006408236 170199229 /nfs/dbraw/zinc/19/92/29/170199229.db2.gz LNZQMYBCXYTKMH-RIYZIHGNSA-N 0 0 261.375 2.806 10 30 CFEERN C=CC(=C)CN1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006488720 170205491 /nfs/dbraw/zinc/20/54/91/170205491.db2.gz OCQQWRJYRKNKJW-GFCCVEGCSA-N 0 0 269.348 2.688 10 30 CFEERN CCCNC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl ZINC000008256791 170327339 /nfs/dbraw/zinc/32/73/39/170327339.db2.gz PAFNJDXZXMZMFW-VIFPVBQESA-N 0 0 266.728 2.505 10 30 CFEERN COc1ccc([C@@H](C=O)Cc2ccco2)cc1OC ZINC000011799894 170441921 /nfs/dbraw/zinc/44/19/21/170441921.db2.gz ZEXKCXUEHCCJTR-GFCCVEGCSA-N 0 0 260.289 2.822 10 30 CFEERN Cc1ccc(N2C[C@H](C#N)CC2=O)cc1Br ZINC000011894307 170456219 /nfs/dbraw/zinc/45/62/19/170456219.db2.gz JOAYDYUHWXOCGB-VIFPVBQESA-N 0 0 279.137 2.634 10 30 CFEERN 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/nfs/dbraw/zinc/09/14/43/175091443.db2.gz IILIQQLNBFGKIL-UHFFFAOYSA-N 0 0 287.315 2.682 10 30 CFEERN Cc1ccc(OCc2cc(C#CCO)cs2)cc1 ZINC000043699076 175096529 /nfs/dbraw/zinc/09/65/29/175096529.db2.gz SYAMZBSBMPRAOD-UHFFFAOYSA-N 0 0 258.342 2.979 10 30 CFEERN COc1ccc(-c2cc(N)c(C#N)s2)cc1OC ZINC000044273396 175158822 /nfs/dbraw/zinc/15/88/22/175158822.db2.gz VOAQCWWLQMLTDC-UHFFFAOYSA-N 0 0 260.318 2.886 10 30 CFEERN Cc1c(N)c(C#N)sc1-c1ccc2c(c1)OCCO2 ZINC000044273555 175158954 /nfs/dbraw/zinc/15/89/54/175158954.db2.gz FIMPOEYRFDZDAD-UHFFFAOYSA-N 0 0 272.329 2.949 10 30 CFEERN N#Cc1ccccc1OCc1ccc(F)cc1C#CCO ZINC000049621249 175495508 /nfs/dbraw/zinc/49/55/08/175495508.db2.gz LOWMWVOYCWXJPV-UHFFFAOYSA-N 0 0 281.286 2.620 10 30 CFEERN N#Cc1cc(NCc2cnn3ccccc23)ccc1F ZINC000071373477 176138979 /nfs/dbraw/zinc/13/89/79/176138979.db2.gz QKWJVTLKKXINOL-UHFFFAOYSA-N 0 0 266.279 2.957 10 30 CFEERN CC[C@@H](C)N1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N ZINC000071679088 176243504 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527531787 /nfs/dbraw/zinc/53/17/87/527531787.db2.gz YQLPPGRSVICKFL-UHFFFAOYSA-N 0 0 283.396 2.998 10 30 CFEERN OCCC#Cc1ccccc1Cn1ncc2ccccc21 ZINC000050527433 527531862 /nfs/dbraw/zinc/53/18/62/527531862.db2.gz XOOJEXYKRCPNIA-UHFFFAOYSA-N 0 0 276.339 2.819 10 30 CFEERN CC[C@]1(c2cccc(Br)c2)O[C@@H]1C#N ZINC000306375819 545498738 /nfs/dbraw/zinc/49/87/38/545498738.db2.gz YDZJWXXGRVBLSA-GHMZBOCLSA-N 0 0 252.111 2.977 10 30 CFEERN CC#CCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000135035468 545517265 /nfs/dbraw/zinc/51/72/65/545517265.db2.gz UCJWPPDALFUXDA-QMMMGPOBSA-N 0 0 256.758 2.785 10 30 CFEERN C=C[C@H](c1ccccc1)C1=CC(=O)C(OC)=CC1=O ZINC000000899887 560179417 /nfs/dbraw/zinc/17/94/17/560179417.db2.gz RGSUZUQISVAJJF-GFCCVEGCSA-N 0 0 254.285 2.565 10 30 biogenic,in-vitro CFEERN CCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C/CO ZINC000015269858 560229945 /nfs/dbraw/zinc/22/99/45/560229945.db2.gz UPXPHJXYZGEBCW-SRFVWEJJSA-N 0 0 258.361 2.595 10 30 in-vitro CFEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1cccc(Cl)c1 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CC[C@H](CC#N)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000188118309 618293149 /nfs/dbraw/zinc/29/31/49/618293149.db2.gz IFSXFEWPBSOLTO-OAHLLOKOSA-N 0 0 257.333 2.953 10 30 CFEERN C#CCOc1ccccc1OC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000177265021 618388148 /nfs/dbraw/zinc/38/81/48/618388148.db2.gz BSNCWKLNFDFEFM-QWHCGFSZSA-N 0 0 256.301 2.650 10 30 CFEERN N#CCSCC(=O)O[C@@H]1CCCc2ccccc21 ZINC000066522425 618620976 /nfs/dbraw/zinc/62/09/76/618620976.db2.gz VGDPGGSHDYIAGJ-CYBMUJFWSA-N 0 0 261.346 2.864 10 30 CFEERN COC(=O)N[C@H](CC(C)C)C(=O)OCC(C)(C)CCC#N ZINC000195048644 618945443 /nfs/dbraw/zinc/94/54/43/618945443.db2.gz SPQLFRHCTOREOK-GFCCVEGCSA-N 0 0 298.383 2.630 10 30 CFEERN CCCCCOc1ccc(CN=NC(N)=S)cc1OC ZINC000252477658 620161585 /nfs/dbraw/zinc/16/15/85/620161585.db2.gz SETBYDDDULVAEV-UHFFFAOYSA-N 0 0 295.408 2.843 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(Br)n1 ZINC000164225672 622942095 /nfs/dbraw/zinc/94/20/95/622942095.db2.gz PJKJOYISNYCBOH-GXSJLCMTSA-N 0 0 280.169 2.626 10 30 CFEERN C=CCNC(=O)[C@H]1Cc2ccccc2N2CCCC[C@@H]12 ZINC000169679300 623138301 /nfs/dbraw/zinc/13/83/01/623138301.db2.gz ABYBGCYMNXHSEA-HOCLYGCPSA-N 0 0 270.376 2.520 10 30 CFEERN C=C(C)COC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000171530648 623228619 /nfs/dbraw/zinc/22/86/19/623228619.db2.gz VCOSDWRPEIXDCF-LLVKDONJSA-N 0 0 271.357 2.799 10 30 CFEERN C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000230055728 623242883 /nfs/dbraw/zinc/24/28/83/623242883.db2.gz PEDGUUGVZYJSER-FZMZJTMJSA-N 0 0 258.321 2.964 10 30 CFEERN C#CCCCOC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171960616 623250087 /nfs/dbraw/zinc/25/00/87/623250087.db2.gz VWZGPLXONSAQHS-RDJZCZTQSA-N 0 0 299.370 2.553 10 30 CFEERN C#CCSCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000154832143 624504012 /nfs/dbraw/zinc/50/40/12/624504012.db2.gz CDYJTEDVULQNNZ-HNNXBMFYSA-N 0 0 288.416 2.730 10 30 CFEERN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000246199487 624705509 /nfs/dbraw/zinc/70/55/09/624705509.db2.gz LXXQZYYOJQZTPW-MGPQQGTHSA-N 0 0 274.364 2.587 10 30 CFEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000233946395 624961635 /nfs/dbraw/zinc/96/16/35/624961635.db2.gz HQTQVHPEGKNJNG-GWCFXTLKSA-N 0 0 278.739 2.965 10 30 CFEERN COc1ccccc1[C@H](CC=O)NC(=O)OC(C)(C)C ZINC000238371176 625034435 /nfs/dbraw/zinc/03/44/35/625034435.db2.gz DLDNPZIDCREQIJ-LBPRGKRZSA-N 0 0 279.336 2.850 10 30 CFEERN C#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000106428569 632760376 /nfs/dbraw/zinc/76/03/76/632760376.db2.gz JQNAONVKMADAMW-SFHVURJKSA-N 0 0 292.382 2.779 10 30 CFEERN C[C@@H](O)c1cccc(OCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000193058628 650620276 /nfs/dbraw/zinc/62/02/76/650620276.db2.gz FKTMBAPPUHQHFC-GFCCVEGCSA-N 0 0 296.326 2.629 10 30 CFEERN C[C@@H](O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000125452081 642635909 /nfs/dbraw/zinc/63/59/09/642635909.db2.gz NFCBORCZYGCPHN-HTQZYQBOSA-N 0 0 258.243 2.758 10 30 CFEERN C=CCN1C(=O)S/C(=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000096803860 650998798 /nfs/dbraw/zinc/99/87/98/650998798.db2.gz YIYKKTLMUISZNA-FLIBITNWSA-N 0 0 290.300 2.817 10 30 CFEERN C[C@H](O)c1ccn(Cc2ccccc2C(C)(C)C#N)n1 ZINC000133726736 646217312 /nfs/dbraw/zinc/21/73/12/646217312.db2.gz YLXRCXLFEACITC-LBPRGKRZSA-N 0 0 269.348 2.786 10 30 CFEERN CC(C)[C@H](C)NC(=O)Nc1ccc(F)cc1OCC#N ZINC000135287059 646508208 /nfs/dbraw/zinc/50/82/08/646508208.db2.gz LOBSUXKUUWBNQQ-JTQLQIEISA-N 0 0 279.315 2.894 10 30 CFEERN C=C(C)C(C)(C)C(=O)Nc1cc2c(cn1)OCCC2 ZINC000885748328 646744506 /nfs/dbraw/zinc/74/45/06/646744506.db2.gz WGYUUSLXBYDCRZ-UHFFFAOYSA-N 0 0 260.337 2.947 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@+]1(C)[O-] ZINC000248086896 717164281 /nfs/dbraw/zinc/16/42/81/717164281.db2.gz WQTJWODFSMCWCC-CXAGYDPISA-N 0 0 262.353 2.739 10 30 CFEERN C=C(C)OC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095627067 185016355 /nfs/dbraw/zinc/01/63/55/185016355.db2.gz PHANLLSJICRJIN-LBPRGKRZSA-N 0 0 298.383 2.893 10 30 CFEERN CC(C)(C)OC(=O)N=C(N)c1ccccc1Cl ZINC000082556788 178094723 /nfs/dbraw/zinc/09/47/23/178094723.db2.gz IQEGWKXQMKFALL-UHFFFAOYSA-N 0 0 254.717 2.980 10 30 CFEERN CC(C)(C)NC(=O)O[C@@H](Cc1cc(F)cc(F)c1)[C@@H]1CO1 ZINC000095917824 185030757 /nfs/dbraw/zinc/03/07/57/185030757.db2.gz GAGKRQZFMBQZCL-STQMWFEESA-N 0 0 299.317 2.799 10 30 CFEERN CC(=O)O/C(=C/C(=O)c1ccccc1)C(F)(F)F ZINC000095934673 185033473 /nfs/dbraw/zinc/03/34/73/185033473.db2.gz UWQNJJGNFAFFGH-YRNVUSSQSA-N 0 0 258.195 2.879 10 30 CFEERN CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000177789469 529662431 /nfs/dbraw/zinc/66/24/31/529662431.db2.gz GNHBBROVSQVERO-CYBMUJFWSA-N 0 0 298.302 2.676 10 30 CFEERN C=C(C)CN1c2ccc(NC(=O)CC)cc2O[C@H](C)C1=O ZINC000012295794 136378724 /nfs/dbraw/zinc/37/87/24/136378724.db2.gz TYCZTHLOZAUHJD-LLVKDONJSA-N 0 0 288.347 2.725 10 30 CFEERN C=CCN1c2ccc(NC(=O)C(C)(C)C)cc2OCC1=O ZINC000012098279 136378731 /nfs/dbraw/zinc/37/87/31/136378731.db2.gz UBVOLVBYFUTSBG-UHFFFAOYSA-N 0 0 288.347 2.583 10 30 CFEERN CC(C)COCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127049822 187278958 /nfs/dbraw/zinc/27/89/58/187278958.db2.gz GJKAUNJFZDHILI-UHFFFAOYSA-N 0 0 263.297 2.551 10 30 CFEERN N#C[C@@H](OS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001682596 346206202 /nfs/dbraw/zinc/20/62/02/346206202.db2.gz YKDVEHLIKZSIDU-CQSZACIVSA-N 0 0 273.313 2.657 10 30 CFEERN CCO[C@H](/C(N)=N/O)c1c(Cl)cccc1Cl ZINC000005650827 346212600 /nfs/dbraw/zinc/21/26/00/346212600.db2.gz RULUMZSWTZNXCB-VIFPVBQESA-N 0 0 263.124 2.817 10 30 CFEERN COc1ccc(C#Cc2cccc(N)c2)cc1OC ZINC000037547760 346330495 /nfs/dbraw/zinc/33/04/95/346330495.db2.gz COWMNFLOCRMDHP-UHFFFAOYSA-N 0 0 253.301 2.686 10 30 CFEERN N#C[C@@H]1c2ccccc2CS(=O)(=O)c2ccccc21 ZINC000034412152 346316837 /nfs/dbraw/zinc/31/68/37/346316837.db2.gz XKWARWMMHWTXKV-CQSZACIVSA-N 0 0 269.325 2.629 10 30 CFEERN N#CCCCN1CCN(c2nccc3ccccc32)CC1 ZINC000034550741 346318254 /nfs/dbraw/zinc/31/82/54/346318254.db2.gz UKPJDQJHDYVULL-UHFFFAOYSA-N 0 0 280.375 2.661 10 30 CFEERN CCN[C@H](C#N)c1ccc(F)c(Br)c1 ZINC000034939484 346319261 /nfs/dbraw/zinc/31/92/61/346319261.db2.gz GQOQTVIQPATUTD-SNVBAGLBSA-N 0 0 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348640098 /nfs/dbraw/zinc/64/00/98/348640098.db2.gz ACEWPCGCUXFLME-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(N)=O ZINC000514269364 348640114 /nfs/dbraw/zinc/64/01/14/348640114.db2.gz NZVCCQBSLQEDJK-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN N#CCC(=O)OCCCCCCCCn1ccnc1 ZINC000584591478 348682101 /nfs/dbraw/zinc/68/21/01/348682101.db2.gz IPNFZLVSEUSBOY-UHFFFAOYSA-N 0 0 263.341 2.681 10 30 CFEERN C=CC[C@@H](Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000584595944 348683524 /nfs/dbraw/zinc/68/35/24/348683524.db2.gz MWCNGBUCUUZZBS-JTQLQIEISA-N 0 0 257.255 2.926 10 30 CFEERN Cc1nn(Cc2ccc(C#N)cc2)c(C(F)(F)F)c1N ZINC000584599195 348684980 /nfs/dbraw/zinc/68/49/80/348684980.db2.gz SIKQRDKRQRBYEP-UHFFFAOYSA-N 0 0 280.253 2.713 10 30 CFEERN COC(=O)/C(=N/c1ccc(OC)cc1)C(F)(F)F ZINC000584606762 348687894 /nfs/dbraw/zinc/68/78/94/348687894.db2.gz RHLXMDJMTUIERS-DHDCSXOGSA-N 0 0 261.199 2.503 10 30 CFEERN CCCCCCNC1=CC(=O)C(=O)c2ccccc21 ZINC000584614604 348690775 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294.358 2.843 10 30 CFEERN C#CCNC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000173899247 379794820 /nfs/dbraw/zinc/79/48/20/379794820.db2.gz QNTIRMTZOHWSEE-ZDUSSCGKSA-N 0 0 260.337 2.712 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000175414322 380061726 /nfs/dbraw/zinc/06/17/26/380061726.db2.gz RGFGEUCGIFTEAX-CYBMUJFWSA-N 0 0 285.734 2.957 10 30 CFEERN C[C@@H](C(=O)OC(C)(C)C)N(C)c1cccc(F)c1C#N ZINC000176822589 380276435 /nfs/dbraw/zinc/27/64/35/380276435.db2.gz RFNVKKKGVPRPOM-JTQLQIEISA-N 0 0 278.327 2.864 10 30 CFEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCC#N ZINC000180125797 380621759 /nfs/dbraw/zinc/62/17/59/380621759.db2.gz PSHGCWIRDLTURJ-NSHDSACASA-N 0 0 284.356 2.527 10 30 CFEERN N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c[nH]1 ZINC000181188958 380754518 /nfs/dbraw/zinc/75/45/18/380754518.db2.gz JQYMBZRPUKFGKN-NXEZZACHSA-N 0 0 285.269 2.737 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)C(C)(C)C#N)[C@@H](C)C2 ZINC000182224361 381029534 /nfs/dbraw/zinc/02/95/34/381029534.db2.gz 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/nfs/dbraw/zinc/76/38/95/382763895.db2.gz GLPLETVGCOWVCN-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1CC ZINC000575385555 382764350 /nfs/dbraw/zinc/76/43/50/382764350.db2.gz ZWLGSLUPZZDKTA-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)cc(CC)c1C#N ZINC000575385520 382764360 /nfs/dbraw/zinc/76/43/60/382764360.db2.gz XLCAKSDLBININM-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C)c1OC(F)F ZINC000575388304 382764797 /nfs/dbraw/zinc/76/47/97/382764797.db2.gz SKEGHTNZQDSLAN-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1C ZINC000575388650 382764801 /nfs/dbraw/zinc/76/48/01/382764801.db2.gz QALCCXNLPHMNFF-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)cc1OC(F)F ZINC000575387853 382764888 /nfs/dbraw/zinc/76/48/88/382764888.db2.gz MNOXXIMYZSMCPR-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCc1cc(C#N)cc(OC(F)(F)F)c1CC(=O)OC ZINC000575389030 382765274 /nfs/dbraw/zinc/76/52/74/382765274.db2.gz RSPWNTRCFZGQIS-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(C(=O)OC)cc(OC(F)(F)F)c1C#N ZINC000575388755 382765277 /nfs/dbraw/zinc/76/52/77/382765277.db2.gz CNLRVJFJFZOFNT-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1c(C#N)ccc(CC(=O)OC)c1OC(F)(F)F ZINC000575388880 382765294 /nfs/dbraw/zinc/76/52/94/382765294.db2.gz HLSGVOBYZVTSOW-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1F ZINC000575389425 382765751 /nfs/dbraw/zinc/76/57/51/382765751.db2.gz HIPIXBNBVWLIAO-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)cc1F ZINC000575389714 382765823 /nfs/dbraw/zinc/76/58/23/382765823.db2.gz LRCJSAJCMUISGJ-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575389519 382765895 /nfs/dbraw/zinc/76/58/95/382765895.db2.gz SLWFUFBFJLCYRS-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1cc(CC(=O)OC)cc(C(F)F)c1C#N ZINC000575389994 382766094 /nfs/dbraw/zinc/76/60/94/382766094.db2.gz YYVUYHYIVWGHDU-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1F ZINC000575390412 382766135 /nfs/dbraw/zinc/76/61/35/382766135.db2.gz JQMPRMOVNFAHPA-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCc1cc(C#N)cc(C(F)(F)F)c1CC(=O)OC ZINC000575389915 382766191 /nfs/dbraw/zinc/76/61/91/382766191.db2.gz VDCUMVDZSBTMDB-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1F ZINC000575390364 382766196 /nfs/dbraw/zinc/76/61/96/382766196.db2.gz FBYWLBODUIXFFO-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(F)cc(OC(F)(F)F)c1C#N ZINC000575390349 382766208 /nfs/dbraw/zinc/76/62/08/382766208.db2.gz BTGGOZOALRWMBR-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)cc1F ZINC000575390504 382766315 /nfs/dbraw/zinc/76/63/15/382766315.db2.gz QPFUDJAFPCRODK-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(C=O)c1C#N ZINC000575391255 382766752 /nfs/dbraw/zinc/76/67/52/382766752.db2.gz RDGNAWONUFEIIY-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1c(C#N)cc(O)cc1SC(F)(F)F ZINC000575392313 382767152 /nfs/dbraw/zinc/76/71/52/382767152.db2.gz RYDVDJHIJBUWPS-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1cc(C#N)c(OC)cc1SC(F)(F)F ZINC000575394125 382767873 /nfs/dbraw/zinc/76/78/73/382767873.db2.gz DMWYNOQLZZBSMC-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1cc(C)cc(C#N)c1C(F)(F)F ZINC000575394292 382767923 /nfs/dbraw/zinc/76/79/23/382767923.db2.gz AUYNFVZURSQBHU-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)Cc1c(OC(F)(F)F)ccc(C)c1C#N ZINC000575394649 382768154 /nfs/dbraw/zinc/76/81/54/382768154.db2.gz IIWSWNSUDMEUJH-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)cc1OC(F)(F)F ZINC000575394674 382768213 /nfs/dbraw/zinc/76/82/13/382768213.db2.gz JWASYBYZPVZJAW-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)cc(OC)c1C#N ZINC000575395107 382768617 /nfs/dbraw/zinc/76/86/17/382768617.db2.gz XZYTXRXBAPZWSA-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN C[C@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575496122 382772935 /nfs/dbraw/zinc/77/29/35/382772935.db2.gz DTCUOYATRVHJCZ-JOYOIKCWSA-N 0 0 256.371 2.689 10 30 CFEERN O=C(c1ccsc1Br)C1=COCC1 ZINC000575500422 382772958 /nfs/dbraw/zinc/77/29/58/382772958.db2.gz LVKIPFOBEJLKAW-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN O=C(/C=C/Cl)c1nscc1Br ZINC000575521304 382773399 /nfs/dbraw/zinc/77/33/99/382773399.db2.gz RJONRFRKARKHOP-OWOJBTEDSA-N 0 0 252.520 2.841 10 30 CFEERN C=C[C@H](C)Nc1ccc(I)cn1 ZINC000575559558 382773695 /nfs/dbraw/zinc/77/36/95/382773695.db2.gz PJDMEBKHYXYPNY-ZETCQYMHSA-N 0 0 274.105 2.673 10 30 CFEERN N#CCc1cc(Br)cc(OC(F)F)c1N ZINC000575713997 382794505 /nfs/dbraw/zinc/79/45/05/382794505.db2.gz IMYMIXRURWXSQZ-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN COc1cc(C#N)c(CC#N)cc1OC(F)(F)F ZINC000575646517 382777537 /nfs/dbraw/zinc/77/75/37/382777537.db2.gz HGLZALUZEZTJNL-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN COc1c(C#N)cc(OC(F)(F)F)cc1CC#N ZINC000575648363 382777860 /nfs/dbraw/zinc/77/78/60/382777860.db2.gz MIYRQJDWMCSMDJ-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN COc1cc(CC#N)c(OC(F)(F)F)cc1C#N ZINC000575648493 382777953 /nfs/dbraw/zinc/77/79/53/382777953.db2.gz OQOGYHUCEDPTDB-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN CCOc1cc([N+](=O)[O-])c(CC#N)cc1OC(F)F ZINC000575656789 382779612 /nfs/dbraw/zinc/77/96/12/382779612.db2.gz GTHZEVRMXXKDCT-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCc1ccc(CC#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575658598 382780305 /nfs/dbraw/zinc/78/03/05/382780305.db2.gz CQOVKKAZQHTPBW-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCOc1cc(CC#N)cc(OC)c1OC(F)F ZINC000575658671 382780485 /nfs/dbraw/zinc/78/04/85/382780485.db2.gz WBNFJLLWVKDSBF-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1c(CC#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575659700 382780657 /nfs/dbraw/zinc/78/06/57/382780657.db2.gz XJENGQVGHJVJPX-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCc1cc(OC(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575659484 382780810 /nfs/dbraw/zinc/78/08/10/382780810.db2.gz GXFDLWQQUUUZMZ-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#Cc1cc(OC(F)F)cc(O)c1OC(F)(F)F ZINC000575662343 382781887 /nfs/dbraw/zinc/78/18/87/382781887.db2.gz XFLFLUPIIJXTSX-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1cc(OC(F)F)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575665422 382782405 /nfs/dbraw/zinc/78/24/05/382782405.db2.gz DICYGTVBHVQUJB-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1cc(C(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575668663 382783234 /nfs/dbraw/zinc/78/32/34/382783234.db2.gz SLNHEKOSNCJAKM-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(CC#N)c1C(F)F ZINC000575668491 382783314 /nfs/dbraw/zinc/78/33/14/382783314.db2.gz YNHJGUXNIJHZCZ-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575671573 382783932 /nfs/dbraw/zinc/78/39/32/382783932.db2.gz UVZYKHYRUUMNFQ-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN Cc1cc(CC#N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575673051 382784231 /nfs/dbraw/zinc/78/42/31/382784231.db2.gz ACSWIMFWZRBKAD-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#CCc1cc(O)c(OC(F)F)cc1Br ZINC000575681930 382786129 /nfs/dbraw/zinc/78/61/29/382786129.db2.gz GLNRHBCOSXVTSW-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(N)c(C(F)(F)F)ccc1OC(F)F ZINC000575717777 382795289 /nfs/dbraw/zinc/79/52/89/382795289.db2.gz UFIBWSQXCHYDNL-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1cc(OC(F)F)c(OC(F)(F)F)cc1N ZINC000575717767 382795297 /nfs/dbraw/zinc/79/52/97/382795297.db2.gz TYFFPAMYEKFDES-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1cc(OC(F)F)c(Br)c([N+](=O)[O-])c1 ZINC000575687105 382788097 /nfs/dbraw/zinc/78/80/97/382788097.db2.gz RBQZMLWJPAWEAT-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN CCc1ccc(N)c(I)c1CC#N ZINC000575718422 382795626 /nfs/dbraw/zinc/79/56/26/382795626.db2.gz SJQGFIAOPWNDIM-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN COc1cc(C)c(I)c(CC#N)c1 ZINC000575709611 382792829 /nfs/dbraw/zinc/79/28/29/382792829.db2.gz YQAGMXRJFLXJQE-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1Cl ZINC000575342983 382759410 /nfs/dbraw/zinc/75/94/10/382759410.db2.gz GSSGORZWAWYDCV-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(CC)c(Br)cc1C#N ZINC000575341603 382759433 /nfs/dbraw/zinc/75/94/33/382759433.db2.gz HRUCPKREWQYSTQ-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)Cc1cc(Br)cc(CC)c1C#N ZINC000575341642 382759481 /nfs/dbraw/zinc/75/94/81/382759481.db2.gz ZMOUVJJKPLVWSD-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)c1c(OC)ccc(C(F)F)c1C#N ZINC000575343507 382759681 /nfs/dbraw/zinc/75/96/81/382759681.db2.gz ARQXBBWCAGBEII-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(Cl)cc(OC(F)F)c1C#N ZINC000575343039 382759787 /nfs/dbraw/zinc/75/97/87/382759787.db2.gz WAYFEAMYRYXYBJ-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(C)cc1C#N ZINC000575344205 382760003 /nfs/dbraw/zinc/76/00/03/382760003.db2.gz VEKUTFWUPNMJFR-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1ccc(OC)c(C#N)c1C(F)F ZINC000575343675 382760060 /nfs/dbraw/zinc/76/00/60/382760060.db2.gz ZTACPYPMBQJDLK-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1c(C)cc(C#N)cc1C(F)F ZINC000575344136 382760072 /nfs/dbraw/zinc/76/00/72/382760072.db2.gz QAVKORAWFDRCLH-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1OC ZINC000575343609 382760134 /nfs/dbraw/zinc/76/01/34/382760134.db2.gz PYXUDGDULJHFFW-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN C#C[C@@H](C)Oc1cc(Br)ccc1C=O ZINC000222081739 382800859 /nfs/dbraw/zinc/80/08/59/382800859.db2.gz PMVXOZIAIRDASP-MRVPVSSYSA-N 0 0 253.095 2.662 10 30 CFEERN N#Cc1ccc(OCC(F)F)cc1Br ZINC000228203188 382845645 /nfs/dbraw/zinc/84/56/45/382845645.db2.gz KZHFOMSOFRGLNR-UHFFFAOYSA-N 0 0 262.053 2.965 10 30 CFEERN CCS[C@H]1CC[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000230185788 382857189 /nfs/dbraw/zinc/85/71/89/382857189.db2.gz QWSBJBXUROGERU-QWRGUYRKSA-N 0 0 292.364 2.948 10 30 CFEERN CO[C@H](c1noc(Cc2ccc(C#N)cc2)n1)C1CC1 ZINC000234728686 382874965 /nfs/dbraw/zinc/87/49/65/382874965.db2.gz AVQHVQLGZOCBMQ-AWEZNQCLSA-N 0 0 269.304 2.630 10 30 CFEERN C[C@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245565124 383009129 /nfs/dbraw/zinc/00/91/29/383009129.db2.gz RFFNVQVXDZRZOF-WBVHZDCISA-N 0 0 299.418 2.648 10 30 CFEERN CC(C)(C)OC(=O)Cc1cc(F)c(C#N)c(F)c1 ZINC000584643371 383113214 /nfs/dbraw/zinc/11/32/14/383113214.db2.gz DRFPZLROQARDIO-UHFFFAOYSA-N 0 0 253.248 2.721 10 30 CFEERN CCCO[C@@H](C=O)CSc1ccccc1OC ZINC000584642671 383113272 /nfs/dbraw/zinc/11/32/72/383113272.db2.gz HGDGDNHBLSTURW-NSHDSACASA-N 0 0 254.351 2.781 10 30 CFEERN C[C@H]1SC(=NN=Cc2ccc(F)cc2)NC1=O ZINC000254440271 383468188 /nfs/dbraw/zinc/46/81/88/383468188.db2.gz BSWDEXYDGYBVLO-SSDOTTSWSA-N 0 0 251.286 2.607 10 30 CFEERN C=CCS(=O)(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000263963117 131369746 /nfs/dbraw/zinc/36/97/46/131369746.db2.gz JBBREKPPKFJICO-UHFFFAOYSA-N 0 0 293.310 2.653 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000182341968 393508869 /nfs/dbraw/zinc/50/88/69/393508869.db2.gz JPBJGSOCKXFNRZ-ZJUUUORDSA-N 0 0 265.744 2.860 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000182744931 393514198 /nfs/dbraw/zinc/51/41/98/393514198.db2.gz WHAAPKZPRSNGTC-IINYFYTJSA-N 0 0 275.327 2.662 10 30 CFEERN C#Cc1nn([C@H]2CCCCO2)c2ccc(C(=O)OC)cc12 ZINC000222914903 393764380 /nfs/dbraw/zinc/76/43/80/393764380.db2.gz WGBGOOXJQAFOIN-OAHLLOKOSA-N 0 0 284.315 2.503 10 30 CFEERN C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CCS1 ZINC000115516889 393904535 /nfs/dbraw/zinc/90/45/35/393904535.db2.gz DWWNODIORLAZAA-QMMMGPOBSA-N 0 0 287.310 2.914 10 30 CFEERN N#Cc1cnc(N2CCCC[C@@H]2c2nccs2)cn1 ZINC000123139182 393975959 /nfs/dbraw/zinc/97/59/59/393975959.db2.gz KJNZMLQVPQPTLZ-LLVKDONJSA-N 0 0 271.349 2.536 10 30 CFEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000151048314 394258849 /nfs/dbraw/zinc/25/88/49/394258849.db2.gz QNZCDKRFOHOZLJ-CJNGLKHVSA-N 0 0 284.359 2.640 10 30 CFEERN Cc1nc(NC(=O)[C@@H]2CC[C@@H](C)O2)sc1SCC#N ZINC000151402122 394262140 /nfs/dbraw/zinc/26/21/40/394262140.db2.gz MQLWSRJAHYIYEU-APPZFPTMSA-N 0 0 297.405 2.573 10 30 CFEERN N#Cc1cc(N)cnc1N1CCCc2ccccc21 ZINC000037758795 134849853 /nfs/dbraw/zinc/84/98/53/134849853.db2.gz QCDZCPOAGHBCJQ-UHFFFAOYSA-N 0 0 250.305 2.620 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 ZINC000152117780 394271100 /nfs/dbraw/zinc/27/11/00/394271100.db2.gz UFEPYOGCBCNSGV-PELKAZGASA-N 0 0 296.273 2.666 10 30 CFEERN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000181107982 543019082 /nfs/dbraw/zinc/01/90/82/543019082.db2.gz TUSUOBOKPNBPBH-IHRRRGAJSA-N 0 0 268.401 2.582 10 30 CFEERN C=C(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405601152 543021391 /nfs/dbraw/zinc/02/13/91/543021391.db2.gz MONYNIAWSOOEEO-MNOVXSKESA-N 0 0 253.342 2.777 10 30 CFEERN C=C(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405504002 543020331 /nfs/dbraw/zinc/02/03/31/543020331.db2.gz OCVXTUMPCSJKGH-QWRGUYRKSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000405626016 543022070 /nfs/dbraw/zinc/02/20/70/543022070.db2.gz QSQUPYIKQOEGPF-GHMZBOCLSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCCC1 ZINC000405644857 543022079 /nfs/dbraw/zinc/02/20/79/543022079.db2.gz IURWZVNFHMGRHZ-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC000405793785 543024413 /nfs/dbraw/zinc/02/44/13/543024413.db2.gz MPMQYZSUICEPCM-UHFFFAOYSA-N 0 0 268.338 2.788 10 30 CFEERN CC(C)(C)OC(=O)NCCC(=O)C1=CCCCC1 ZINC000405739165 543023671 /nfs/dbraw/zinc/02/36/71/543023671.db2.gz XTVLVLGSWWFFHB-UHFFFAOYSA-N 0 0 253.342 2.971 10 30 CFEERN C=C(C)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406077451 543029551 /nfs/dbraw/zinc/02/95/51/543029551.db2.gz UTWDKSDZARTXRX-MNOVXSKESA-N 0 0 253.342 2.825 10 30 CFEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000182939227 543034501 /nfs/dbraw/zinc/03/45/01/543034501.db2.gz FUKOUTLPFSVSIX-BDAKNGLRSA-N 0 0 288.800 2.699 10 30 CFEERN OCC/N=C1\CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000017723205 296541087 /nfs/dbraw/zinc/54/10/87/296541087.db2.gz KMMKFMIWVAXWMH-DTQAZKPQSA-N 0 0 262.740 2.939 10 30 CFEERN CC#CCNCc1cc(Br)ccc1F ZINC000051663425 397589809 /nfs/dbraw/zinc/58/98/09/397589809.db2.gz RDLSKEXXHHOZAX-UHFFFAOYSA-N 0 0 256.118 2.701 10 30 CFEERN O=S(=O)(OC[C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000004301113 169955603 /nfs/dbraw/zinc/95/56/03/169955603.db2.gz JWBPSKRUQJWZFK-BFHYXJOUSA-N 0 0 278.373 2.994 10 30 CFEERN COc1ccc(/C=N/N2[C@H](C)CCC[C@H]2C)cc1O ZINC000005505525 170105594 /nfs/dbraw/zinc/10/55/94/170105594.db2.gz IAZUOUDQUNLAAR-DYBVGFEPSA-N 0 0 262.353 2.998 10 30 CFEERN Cc1ccc(/C=N/NC(=S)Nc2nc(C)cc(C)n2)cc1 ZINC000005682411 170128137 /nfs/dbraw/zinc/12/81/37/170128137.db2.gz NTBYZSFPQBYJKN-CXUHLZMHSA-N 0 0 299.403 2.722 10 30 CFEERN C/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000005725435 170133602 /nfs/dbraw/zinc/13/36/02/170133602.db2.gz QRKYPBXMRMPTRX-MHWRWJLKSA-N 0 0 285.259 2.571 10 30 CFEERN COc1c(CC#N)cccc1C(=O)c1ccccc1 ZINC000005732310 170134812 /nfs/dbraw/zinc/13/48/12/170134812.db2.gz MIJYFLXOJQTGHU-UHFFFAOYSA-N 0 0 251.285 2.992 10 30 CFEERN Cc1cccc([S@](=O)c2cccc(N)c2C#N)c1 ZINC000005931260 170157024 /nfs/dbraw/zinc/15/70/24/170157024.db2.gz VIFDNSNSPURBMX-GOSISDBHSA-N 0 0 256.330 2.616 10 30 in-vivo CFEERN CC(C)c1nc(C#N)c(N=NCc2cccnc2)o1 ZINC000006633919 170220530 /nfs/dbraw/zinc/22/05/30/170220530.db2.gz XUOAREWHNAYLQA-LZYBPNLTSA-N 0 0 255.281 2.511 10 30 CFEERN COc1cccc(/C=N/N(C)c2ccccc2)c1O ZINC000007351108 170278906 /nfs/dbraw/zinc/27/89/06/170278906.db2.gz QNSMVMVHJNMHHG-LFIBNONCSA-N 0 0 256.305 2.871 10 30 CFEERN C=C(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000008187878 170323641 /nfs/dbraw/zinc/32/36/41/170323641.db2.gz AUOBCQRESNQSGP-UHFFFAOYSA-N 0 0 260.337 2.730 10 30 CFEERN C=CCNC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000008271291 170328326 /nfs/dbraw/zinc/32/83/26/170328326.db2.gz IOJAZUARHUDEMB-UHFFFAOYSA-N 0 0 265.527 2.958 10 30 CFEERN CC1(C)OC[C@@H]([C@H](CC#N)OCc2ccccc2)O1 ZINC000008699905 170346262 /nfs/dbraw/zinc/34/62/62/170346262.db2.gz PDQCXJNEKGLZFF-KBPBESRZSA-N 0 0 261.321 2.637 10 30 CFEERN CC(C)CCOC(=O)C[C@@H](S)C(=O)OCCC(C)C ZINC000012405105 170485602 /nfs/dbraw/zinc/48/56/02/170485602.db2.gz HHNLQBYPOOATIP-GFCCVEGCSA-N 0 0 290.425 2.854 10 30 endogenous,in-man CFEERN N#Cc1ccccc1NN=C1C(=O)C=Cc2ccccc21 ZINC000013466773 170552626 /nfs/dbraw/zinc/55/26/26/170552626.db2.gz YRTRZJXTIKWAGF-JZJYNLBNSA-N 0 0 273.295 2.970 10 30 CFEERN COc1ccc(OCc2cccc(C#N)c2)c(C=O)c1 ZINC000014222654 170626234 /nfs/dbraw/zinc/62/62/34/170626234.db2.gz IHNYPPOZBQUYMS-UHFFFAOYSA-N 0 0 267.284 2.958 10 30 CFEERN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1C#N ZINC000019422095 170792404 /nfs/dbraw/zinc/79/24/04/170792404.db2.gz UCJAOBGYBSRZOD-TXEJJXNPSA-N 0 0 278.377 2.510 10 30 CFEERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cn1 ZINC000019425299 170794801 /nfs/dbraw/zinc/79/48/01/170794801.db2.gz PVLOYAINCNAKRJ-PWSUYJOCSA-N 0 0 263.341 2.524 10 30 CFEERN C#Cc1cccc(NCC(=O)Nc2ccc(F)cc2)c1 ZINC000020034508 170974135 /nfs/dbraw/zinc/97/41/35/170974135.db2.gz NMBFDALNOSPIFS-UHFFFAOYSA-N 0 0 268.291 2.858 10 30 CFEERN Cc1ccc(OCCC/C(N)=N/O)c(Br)c1 ZINC000020077901 170985081 /nfs/dbraw/zinc/98/50/81/170985081.db2.gz BDKBKZSTFGMRCU-UHFFFAOYSA-N 0 0 287.157 2.663 10 30 CFEERN COc1ccc2c(c1)c(C#N)cn2Cc1ccccn1 ZINC000020259477 171114801 /nfs/dbraw/zinc/11/48/01/171114801.db2.gz AGTXZCXPKHYFBT-UHFFFAOYSA-N 0 0 263.300 2.965 10 30 CFEERN N#Cc1ccc(NC(=O)CCN2CCc3ccccc32)cc1 ZINC000020261091 171118468 /nfs/dbraw/zinc/11/84/68/171118468.db2.gz LJWKAIGWZDQDAM-UHFFFAOYSA-N 0 0 291.354 2.950 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020313425 171145131 /nfs/dbraw/zinc/14/51/31/171145131.db2.gz FGOCRCWMDOUMAY-LBPRGKRZSA-N 0 0 254.333 2.942 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(Br)cc1C ZINC000020358466 171157731 /nfs/dbraw/zinc/15/77/31/171157731.db2.gz MBNWHFICKQNOQX-SNVBAGLBSA-N 0 0 297.196 2.860 10 30 CFEERN CC(C)CCNC(=O)[C@@H](C)Nc1ccc(C#N)cc1 ZINC000020366695 171165307 /nfs/dbraw/zinc/16/53/07/171165307.db2.gz BJKXBSYTBVXEET-GFCCVEGCSA-N 0 0 259.353 2.521 10 30 CFEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N ZINC000022169454 171367351 /nfs/dbraw/zinc/36/73/51/171367351.db2.gz USLCXDMXWBXWOB-NSHDSACASA-N 0 0 281.315 2.546 10 30 CFEERN Cc1ccc(C(C)(C)C)c(OCC/C(N)=N/O)c1 ZINC000034958874 171904355 /nfs/dbraw/zinc/90/43/55/171904355.db2.gz RTSOEKVGYWAEMZ-UHFFFAOYSA-N 0 0 250.342 2.808 10 30 CFEERN C[C@@H](C#N)CN[C@H](c1ccccc1)c1ccncc1 ZINC000035219734 172060708 /nfs/dbraw/zinc/06/07/08/172060708.db2.gz JMZCNRDXZCRNFT-XJKSGUPXSA-N 0 0 251.333 2.920 10 30 CFEERN N#Cc1ccc(Nc2ccc3c(c2)OCO3)c(N)c1 ZINC000035674446 172345443 /nfs/dbraw/zinc/34/54/43/172345443.db2.gz TVYFFUYFZRQQBM-UHFFFAOYSA-N 0 0 253.261 2.613 10 30 CFEERN CN(Cc1ccc(F)cc1)c1ccc(C#N)cc1N ZINC000036131683 172453402 /nfs/dbraw/zinc/45/34/02/172453402.db2.gz VHZCMCZPITVVET-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN CC(C)N[C@@](C)(C#N)CCc1ccc2c(c1)OCO2 ZINC000037329953 173130779 /nfs/dbraw/zinc/13/07/79/173130779.db2.gz KAOYWKGSBYRIEM-OAHLLOKOSA-N 0 0 260.337 2.628 10 30 CFEERN COc1ccc([C@H](C#N)C(=O)[C@H]2C[C@H]2C)cc1OC ZINC000037346441 173143251 /nfs/dbraw/zinc/14/32/51/173143251.db2.gz OIAAHHCZXPXDJL-USWWRNFRSA-N 0 0 259.305 2.536 10 30 CFEERN Cc1c(C)n(CCc2ccc(F)cc2)c(N)c1C#N ZINC000037352809 173146149 /nfs/dbraw/zinc/14/61/49/173146149.db2.gz WGQCVEFHDPTAAN-UHFFFAOYSA-N 0 0 257.312 2.941 10 30 CFEERN N#Cc1ccccc1CN1CCc2c(N)cccc2C1 ZINC000038032794 174030122 /nfs/dbraw/zinc/03/01/22/174030122.db2.gz ZMJFHAZDTBJOPX-UHFFFAOYSA-N 0 0 263.344 2.699 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)CCc1ccc(N)cc1 ZINC000038051733 174063593 /nfs/dbraw/zinc/06/35/93/174063593.db2.gz AAFDHLJCRRCEOG-UHFFFAOYSA-N 0 0 283.306 2.851 10 30 CFEERN N#Cc1cnc2ccccc2c1-n1cc(Cl)cn1 ZINC000038053461 174065084 /nfs/dbraw/zinc/06/50/84/174065084.db2.gz DLIMVQIWEXBXQF-UHFFFAOYSA-N 0 0 254.680 2.946 10 30 CFEERN N#CCCN(C(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000038100000 174114735 /nfs/dbraw/zinc/11/47/35/174114735.db2.gz XWLFGDOYCPRQDY-UHFFFAOYSA-N 0 0 253.305 2.686 10 30 CFEERN C=CCNC(=O)c1csc(Nc2ccccc2)n1 ZINC000038511585 174143637 /nfs/dbraw/zinc/14/36/37/174143637.db2.gz QVHJAWIHKYEHQZ-UHFFFAOYSA-N 0 0 259.334 2.803 10 30 CFEERN Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2)cc1 ZINC000038765975 174154680 /nfs/dbraw/zinc/15/46/80/174154680.db2.gz MIVJEMLKESDEFD-OAHLLOKOSA-N 0 0 250.301 2.990 10 30 CFEERN N#Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000039128515 174163634 /nfs/dbraw/zinc/16/36/34/174163634.db2.gz AKLMGNCJNCCMKF-UHFFFAOYSA-N 0 0 282.324 2.750 10 30 CFEERN N#Cc1cccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000039251612 174167444 /nfs/dbraw/zinc/16/74/44/174167444.db2.gz ZDGYGZJKYNHFNM-UHFFFAOYSA-N 0 0 261.668 2.970 10 30 CFEERN C[C@]1(O)CC(=O)C=C(c2ccccc2Br)C1 ZINC000040174880 174200849 /nfs/dbraw/zinc/20/08/49/174200849.db2.gz AMKDNUWTIOHCAG-CYBMUJFWSA-N 0 0 281.149 2.946 10 30 CFEERN C#CCn1c(CNC(=O)c2cccs2)nc2ccccc21 ZINC000040196965 174203554 /nfs/dbraw/zinc/20/35/54/174203554.db2.gz BNXZNUROCLBINQ-UHFFFAOYSA-N 0 0 295.367 2.661 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)c1sccc1N ZINC000040304928 174227166 /nfs/dbraw/zinc/22/71/66/174227166.db2.gz RNLXYAJATDZTTG-UHFFFAOYSA-N 0 0 261.281 2.593 10 30 CFEERN C=C(C)n1c2cc(C)c(C)cc2n(CCC#N)c1=O ZINC000040311270 174230925 /nfs/dbraw/zinc/23/09/25/174230925.db2.gz GMODUCHNLCOYRA-UHFFFAOYSA-N 0 0 255.321 2.824 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1ccc(N)cc1Cl ZINC000040331548 174240005 /nfs/dbraw/zinc/24/00/05/174240005.db2.gz WFPKAFMQVSSENH-UHFFFAOYSA-N 0 0 288.800 2.507 10 30 CFEERN N#Cc1ccc(-n2ccnc2-c2cccc(N)c2)cc1 ZINC000040516858 174307589 /nfs/dbraw/zinc/30/75/89/174307589.db2.gz BYCVHAUBQDIMHV-UHFFFAOYSA-N 0 0 260.300 2.993 10 30 CFEERN C=CCNc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-] ZINC000040586065 174345565 /nfs/dbraw/zinc/34/55/65/174345565.db2.gz LHIIPCHIZOIEJU-UHFFFAOYSA-N 0 0 297.318 2.677 10 30 CFEERN C=CCNc1ncnc(NCCc2ccccc2)c1[N+](=O)[O-] ZINC000040598519 174349819 /nfs/dbraw/zinc/34/98/19/174349819.db2.gz FQTQQUJRWHNFDB-UHFFFAOYSA-N 0 0 299.334 2.637 10 30 CFEERN C=CCNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040598730 174349823 /nfs/dbraw/zinc/34/98/23/174349823.db2.gz SLSSFQGHTZOMFY-UHFFFAOYSA-N 0 0 271.280 2.726 10 30 CFEERN C=CCNC(=O)C[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000040643651 174365040 /nfs/dbraw/zinc/36/50/40/174365040.db2.gz AUCLSJSAPVFDJN-OAHLLOKOSA-N 0 0 259.349 2.881 10 30 CFEERN C=CCNc1ncnc(Nc2ccccc2CC)c1N ZINC000040688184 174375964 /nfs/dbraw/zinc/37/59/64/174375964.db2.gz IOWUGQOIVJZPMP-UHFFFAOYSA-N 0 0 269.352 2.963 10 30 CFEERN C=CCNc1ncnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040709003 174380710 /nfs/dbraw/zinc/38/07/10/174380710.db2.gz PVGYVNYSLDLFEF-UHFFFAOYSA-N 0 0 283.335 2.603 10 30 CFEERN N#Cc1cccc(NC(=O)Nc2ccc(CCO)cc2)c1 ZINC000040715598 174382960 /nfs/dbraw/zinc/38/29/60/174382960.db2.gz DKPSMEZJXUQPHG-UHFFFAOYSA-N 0 0 281.315 2.737 10 30 CFEERN C=CCNC(=O)c1cc(C2CC2)n(-c2ccccc2)n1 ZINC000041452973 174554220 /nfs/dbraw/zinc/55/42/20/174554220.db2.gz QUNHYSNZCSEPOW-UHFFFAOYSA-N 0 0 267.332 2.666 10 30 CFEERN N#Cc1ccccc1NCCCOCC(F)(F)F ZINC000042249771 174665878 /nfs/dbraw/zinc/66/58/78/174665878.db2.gz SEXBAJVRNGZCLJ-UHFFFAOYSA-N 0 0 258.243 2.939 10 30 CFEERN CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC000043434181 175044342 /nfs/dbraw/zinc/04/43/42/175044342.db2.gz GLABAMFRFDYQMI-FZMZJTMJSA-N 0 0 260.337 2.708 10 30 CFEERN CC[C@H](C#N)NCc1ccccc1Br ZINC000043540932 175064102 /nfs/dbraw/zinc/06/41/02/175064102.db2.gz BFBKQSMNDBNTSU-SNVBAGLBSA-N 0 0 253.143 2.841 10 30 CFEERN N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570574 175068194 /nfs/dbraw/zinc/06/81/94/175068194.db2.gz KOKMIOUBZWVFJL-UHFFFAOYSA-N 0 0 285.234 2.858 10 30 CFEERN CC(C)C[C@@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043581959 175069882 /nfs/dbraw/zinc/06/98/82/175069882.db2.gz FRRDXDAQPQAZBS-CYBMUJFWSA-N 0 0 291.366 2.724 10 30 CFEERN N#Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(F)c1 ZINC000043585252 175070850 /nfs/dbraw/zinc/07/08/50/175070850.db2.gz IMICONNVEKPYBG-GFCCVEGCSA-N 0 0 290.338 2.774 10 30 CFEERN COc1ccccc1OCc1cc(C#CCO)cs1 ZINC000043699039 175096586 /nfs/dbraw/zinc/09/65/86/175096586.db2.gz FINZYQYAINNIBE-UHFFFAOYSA-N 0 0 274.341 2.680 10 30 CFEERN OCCC#Cc1csc(COC2CCCC2)c1 ZINC000043698950 175096599 /nfs/dbraw/zinc/09/65/99/175096599.db2.gz GYOGXEHHNIQITC-UHFFFAOYSA-N 0 0 250.363 2.941 10 30 CFEERN OCC#Cc1csc(COc2ccccc2F)c1 ZINC000043699007 175096893 /nfs/dbraw/zinc/09/68/93/175096893.db2.gz CUFXQROWDSRPFU-UHFFFAOYSA-N 0 0 262.305 2.810 10 30 CFEERN CC(C)OC(=O)Nc1ccc(F)cc1C#CCCO ZINC000044240964 175155906 /nfs/dbraw/zinc/15/59/06/175155906.db2.gz SRZDYUMXUPZZDK-UHFFFAOYSA-N 0 0 265.284 2.517 10 30 CFEERN CCCCOC(=O)COc1ccc(C#N)cc1Cl 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/nfs/dbraw/zinc/24/30/49/176243049.db2.gz HGSCGTLIEQSXKR-CYBMUJFWSA-N 0 0 256.236 2.639 10 30 CFEERN CC[C@@H](C)N1C(=O)c2ccc(N(C)C)cc2[C@H]1C#N ZINC000071679086 176243849 /nfs/dbraw/zinc/24/38/49/176243849.db2.gz ICBYCYVRJOGXCU-QMTHXVAHSA-N 0 0 257.337 2.572 10 30 CFEERN Cc1c2c(ccc1Cl)[C@@H](C#N)N(CCCCCO)C2=O ZINC000071679742 176244199 /nfs/dbraw/zinc/24/41/99/176244199.db2.gz KPJUCDIGAJCTQN-CYBMUJFWSA-N 0 0 292.766 2.832 10 30 CFEERN COc1cc2c(c(OC)c1)C(C#N)N(Cc1ccco1)C2=O ZINC000071680665 176244901 /nfs/dbraw/zinc/24/49/01/176244901.db2.gz RECXBRHJYIHCST-CYBMUJFWSA-N 0 0 298.298 2.517 10 30 CFEERN N#Cc1nccnc1-c1ccc(Br)s1 ZINC000076373360 177009424 /nfs/dbraw/zinc/00/94/24/177009424.db2.gz QBDMGLUYRDPYNF-UHFFFAOYSA-N 0 0 266.123 2.839 10 30 CFEERN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1ccon1 ZINC000329508398 227560970 /nfs/dbraw/zinc/56/09/70/227560970.db2.gz BEXDYPGJPXQWTP-VHSXEESVSA-N 0 0 265.313 2.839 10 30 CFEERN Cc1nc([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cs1 ZINC000329563501 227604805 /nfs/dbraw/zinc/60/48/05/227604805.db2.gz JVXDCARUKWLOFG-MVVXRAEJSA-N 0 0 296.392 2.521 10 30 CFEERN C[C@@]1(C(=O)NCC2(C(N)=O)CCCC2)CCCNC1=O ZINC000330248531 228079993 /nfs/dbraw/zinc/07/99/93/228079993.db2.gz MHDJQOOLMYVHNO-CYBMUJFWSA-N 0 0 281.356 2.795 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000187723956 260053527 /nfs/dbraw/zinc/05/35/27/260053527.db2.gz SWDWEJZJDWORTG-DTWKUNHWSA-N 0 0 268.719 2.861 10 30 CFEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)(C)C#N ZINC000180172394 260095760 /nfs/dbraw/zinc/09/57/60/260095760.db2.gz JMAMMPNSJQHVOD-NSHDSACASA-N 0 0 298.383 2.773 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1coc2ccccc12 ZINC000070392098 260157033 /nfs/dbraw/zinc/15/70/33/260157033.db2.gz HEHKABOAAUXRQA-MFKMUULPSA-N 0 0 254.289 2.855 10 30 CFEERN C[C@H](C/N=C/c1c(O)ccc2ccccc21)N1CCOCC1 ZINC000075533312 260291122 /nfs/dbraw/zinc/29/11/22/260291122.db2.gz DSMMIDGVJREQDC-NFECSFHCSA-N 0 0 298.386 2.685 10 30 CFEERN C#CCOCCC(=O)N1CCCC[C@H]1c1ccc(C)o1 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250.342 2.696 10 30 CFEERN Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)c(C#N)c(C)n1 ZINC000301751479 280588706 /nfs/dbraw/zinc/58/87/06/280588706.db2.gz AZQRKXNDQAGYOX-ZIAGYGMSSA-N 0 0 253.349 2.973 10 30 CFEERN CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1C#N ZINC000131062072 280712488 /nfs/dbraw/zinc/71/24/88/280712488.db2.gz PACPXYWDTKZJLF-IAQYHMDHSA-N 0 0 288.347 2.851 10 30 CFEERN Cc1cc(C)n([C@@H](C)c2ccccc2)c(=O)c1C#N ZINC000045922585 301248613 /nfs/dbraw/zinc/24/86/13/301248613.db2.gz JPUWJCODCRDSDO-ZDUSSCGKSA-N 0 0 252.317 2.946 10 30 CFEERN N#Cc1cc(NCC2CC(O)C2)ccc1C(F)(F)F ZINC000164027855 322379990 /nfs/dbraw/zinc/37/99/90/322379990.db2.gz BJFTYXIUOHQPCH-UHFFFAOYSA-N 0 0 270.254 2.760 10 30 CFEERN C=CCCOCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000122407901 328396732 /nfs/dbraw/zinc/39/67/32/328396732.db2.gz KSOPWMBSBBTXDH-GFCCVEGCSA-N 0 0 266.341 2.541 10 30 CFEERN Cc1ccc(C=NN2C(=S)N=NC2c2ccco2)o1 ZINC000001297598 326794027 /nfs/dbraw/zinc/79/40/27/326794027.db2.gz RANHPQOHQCZVTN-QPEQYQDCSA-N 0 0 274.305 2.610 10 30 CFEERN C=CCN(Cc1cccs1)Cc1c(C)nn(C)c1OC ZINC000119938490 327295970 /nfs/dbraw/zinc/29/59/70/327295970.db2.gz WMUQWGZEILPGCG-UHFFFAOYSA-N 0 0 291.420 2.987 10 30 CFEERN C#CCOc1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000152838882 327297738 /nfs/dbraw/zinc/29/77/38/327297738.db2.gz VQXDMNIRMPTHMW-MRXNPFEDSA-N 0 0 293.322 2.562 10 30 CFEERN C#CCOc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000152838985 327297768 /nfs/dbraw/zinc/29/77/68/327297768.db2.gz VQXDMNIRMPTHMW-INIZCTEOSA-N 0 0 293.322 2.562 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247379063 327453509 /nfs/dbraw/zinc/45/35/09/327453509.db2.gz FFHBOASHDDMRSS-YNEHKIRRSA-N 0 0 296.411 2.761 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1csc(Cl)c1 ZINC000336394825 327586996 /nfs/dbraw/zinc/58/69/96/327586996.db2.gz XRMBUHBXJNYMLB-VXNVDRBHSA-N 0 0 254.742 2.824 10 30 CFEERN C#CCCCNC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000173320705 329145733 /nfs/dbraw/zinc/14/57/33/329145733.db2.gz QAWOJROYJCJPKS-CABCVRRESA-N 0 0 292.423 2.779 10 30 CFEERN O=C(C#Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000175940356 329171151 /nfs/dbraw/zinc/17/11/51/329171151.db2.gz RSNKLGCTGXUDAU-MRXNPFEDSA-N 0 0 277.323 2.678 10 30 CFEERN O=C(C#Cc1ccccc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176309962 329174386 /nfs/dbraw/zinc/17/43/86/329174386.db2.gz PHGBWUKEMXCWEL-INIZCTEOSA-N 0 0 279.343 2.515 10 30 CFEERN C=CCn1c(C)cc(C(=O)CN2[C@H](C)COC[C@@H]2C)c1C ZINC000177653956 329188751 /nfs/dbraw/zinc/18/87/51/329188751.db2.gz MVWNBVZAWQLIEO-OKILXGFUSA-N 0 0 290.407 2.583 10 30 CFEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@H](C)O1 ZINC000178132967 329196116 /nfs/dbraw/zinc/19/61/16/329196116.db2.gz ADKMFDHLZWGZIS-SWLSCSKDSA-N 0 0 277.339 2.908 10 30 CFEERN CN(CCC#N)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000184252286 329258401 /nfs/dbraw/zinc/25/84/01/329258401.db2.gz PPLGHTJBWNXENW-GFCCVEGCSA-N 0 0 299.296 2.715 10 30 CFEERN C#CCC(C)(C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000186277517 329341315 /nfs/dbraw/zinc/34/13/15/329341315.db2.gz HWETYELDYZCSRY-AWEZNQCLSA-N 0 0 287.407 2.750 10 30 CFEERN C=CCC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000188911457 329373259 /nfs/dbraw/zinc/37/32/59/329373259.db2.gz PDUKKEDNSPJVPE-KBPBESRZSA-N 0 0 263.381 2.903 10 30 CFEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000190184514 329392574 /nfs/dbraw/zinc/39/25/74/329392574.db2.gz BQQKQZDNUCXGGN-NSHDSACASA-N 0 0 298.333 2.870 10 30 CFEERN CCCC(C#N)(CCC)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191922087 329422332 /nfs/dbraw/zinc/42/23/32/329422332.db2.gz ICOUKMBQCWBONV-CHWSQXEVSA-N 0 0 266.385 2.780 10 30 CFEERN C=CCCOCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000127058378 329596443 /nfs/dbraw/zinc/59/64/43/329596443.db2.gz ZKODDHWMZJVKEG-CYBMUJFWSA-N 0 0 278.352 2.719 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)O1 ZINC000133282561 329651828 /nfs/dbraw/zinc/65/18/28/329651828.db2.gz XSXPKAXOVJYWBG-IUODEOHRSA-N 0 0 288.347 2.875 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(Cl)c1 ZINC000061888493 329681421 /nfs/dbraw/zinc/68/14/21/329681421.db2.gz OMWGFIZQNFTIND-WCQYABFASA-N 0 0 262.740 2.691 10 30 CFEERN CC[C@H](C#N)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000245700834 329732190 /nfs/dbraw/zinc/73/21/90/329732190.db2.gz ZERBGFXVGJARDW-KFWWJZLASA-N 0 0 272.348 2.573 10 30 CFEERN CCC(CC)CN(CCC#N)Cc1nnc(C2CC2)n1C ZINC000072692900 329858671 /nfs/dbraw/zinc/85/86/71/329858671.db2.gz YXEZPLKWCNJJIS-UHFFFAOYSA-N 0 0 289.427 2.844 10 30 CFEERN COc1ccc2c(n1)c(C#N)cn2C(=O)OC(C)(C)C ZINC000536952788 330382638 /nfs/dbraw/zinc/38/26/38/330382638.db2.gz GQALKPNJNOWTFW-UHFFFAOYSA-N 0 0 273.292 2.700 10 30 CFEERN CC(C)CCN(CCC#N)Cc1nnc(C(C)C)n1C ZINC000173548883 335136167 /nfs/dbraw/zinc/13/61/67/335136167.db2.gz JGCKJKUSMKKMFF-UHFFFAOYSA-N 0 0 277.416 2.700 10 30 CFEERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000132726913 334003662 /nfs/dbraw/zinc/00/36/62/334003662.db2.gz NAINLTYHHWOPGL-XBFCOCLRSA-N 0 0 257.337 2.739 10 30 CFEERN C#CCCCOC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076871294 334090260 /nfs/dbraw/zinc/09/02/60/334090260.db2.gz IDEXQMBIQUQZGM-CHWSQXEVSA-N 0 0 295.379 2.636 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000135029267 334113043 /nfs/dbraw/zinc/11/30/43/334113043.db2.gz RMLOOTBBFJUQSF-XJKSGUPXSA-N 0 0 290.411 2.606 10 30 CFEERN C=C(C)COCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000136161770 334148486 /nfs/dbraw/zinc/14/84/86/334148486.db2.gz XVFKQIHKMLXCQK-CABCVRRESA-N 0 0 265.397 2.912 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCC1(F)F ZINC000336892025 334922636 /nfs/dbraw/zinc/92/26/36/334922636.db2.gz QYVKTKGKANNXCV-DCAQKATOSA-N 0 0 256.296 2.620 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCC1(F)F ZINC000336892021 334922726 /nfs/dbraw/zinc/92/27/26/334922726.db2.gz QYVKTKGKANNXCV-AXFHLTTASA-N 0 0 256.296 2.620 10 30 CFEERN C[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C[C@H]1O ZINC000330109969 533909508 /nfs/dbraw/zinc/90/95/08/533909508.db2.gz PXYOQXQSVHQOGM-MLGOLLRUSA-N 0 0 288.391 2.681 10 30 CFEERN C#CCN[C@](C)(C(=O)OCC)c1ccc(C(C)(C)C)cc1 ZINC000051965508 518292935 /nfs/dbraw/zinc/29/29/35/518292935.db2.gz BPXROBJQCMZWHS-SFHVURJKSA-N 0 0 287.403 2.985 10 30 CFEERN CC(C)(C)CCOc1ccc(C/C(N)=N/O)cc1 ZINC000049254840 518655422 /nfs/dbraw/zinc/65/54/22/518655422.db2.gz VCNUNDSRUGQVCL-UHFFFAOYSA-N 0 0 250.342 2.791 10 30 CFEERN C=CCC(=O)Nc1ccccc1I ZINC000048106505 518685421 /nfs/dbraw/zinc/68/54/21/518685421.db2.gz BNNJXMNOLKTWSP-UHFFFAOYSA-N 0 0 287.100 2.806 10 30 CFEERN C=CCN[C@@]1(C(=O)OCC)CCSc2ccccc21 ZINC000051962118 518958857 /nfs/dbraw/zinc/95/88/57/518958857.db2.gz CRFNLWVJLGGHSH-HNNXBMFYSA-N 0 0 277.389 2.716 10 30 CFEERN C=CCN[C@@H](C(=O)OC)c1ccc(OC(F)(F)F)cc1 ZINC000051961122 518959136 /nfs/dbraw/zinc/95/91/36/518959136.db2.gz LVQWMOKRIIBNKS-LLVKDONJSA-N 0 0 289.253 2.575 10 30 CFEERN C=CCN1C(=S)N=NC1c1cccc([N+](=O)[O-])c1C ZINC000064872120 519198036 /nfs/dbraw/zinc/19/80/36/519198036.db2.gz JTLMBNGFROVHMM-UHFFFAOYSA-N 0 0 276.321 2.636 10 30 CFEERN CC(C)C1CCC(C#N)(NC[C@@H]2CCCO2)CC1 ZINC000054557264 519558937 /nfs/dbraw/zinc/55/89/37/519558937.db2.gz CXPMNJACTCQVIT-SLTAFYQDSA-N 0 0 250.386 2.864 10 30 CFEERN CC(C)CC(=O)N[C@H](C)c1ccc(C#CCCO)cc1 ZINC000049589460 519602463 /nfs/dbraw/zinc/60/24/63/519602463.db2.gz XHAQHGXBUFWFMP-CQSZACIVSA-N 0 0 273.376 2.644 10 30 CFEERN CC(C)COCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000052456578 519755039 /nfs/dbraw/zinc/75/50/39/519755039.db2.gz IGGZUDPCZBSVIJ-UHFFFAOYSA-N 0 0 263.297 2.551 10 30 CFEERN CCCNC(=O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000049223702 519888700 /nfs/dbraw/zinc/88/87/00/519888700.db2.gz PEQYWBCRNFXOLE-SECBINFHSA-N 0 0 299.296 2.904 10 30 CFEERN CC(C)c1nnc2n1C[C@H](Nc1ccc(C#N)cc1)CC2 ZINC000195314721 519897205 /nfs/dbraw/zinc/89/72/05/519897205.db2.gz BXAXYPWDNLPIFD-CQSZACIVSA-N 0 0 281.363 2.700 10 30 CFEERN CCCC1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000050907090 519900188 /nfs/dbraw/zinc/90/01/88/519900188.db2.gz DIDJUIVRQGWQRY-UHFFFAOYSA-N 0 0 285.387 2.683 10 30 CFEERN CCCNc1c(C#N)cnc2cc(OC)c(OC)cc21 ZINC000050842562 520127727 /nfs/dbraw/zinc/12/77/27/520127727.db2.gz GAVNOJJKXVJCJV-UHFFFAOYSA-N 0 0 271.320 2.946 10 30 CFEERN CCN[C@](C)(C#N)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625684 520225749 /nfs/dbraw/zinc/22/57/49/520225749.db2.gz HNQZIRRLAFBKDI-GFCCVEGCSA-N 0 0 283.715 2.519 10 30 CFEERN CCNc1cc(C(=O)Nc2ccc(C#N)cc2)ccn1 ZINC000050742343 520264919 /nfs/dbraw/zinc/26/49/19/520264919.db2.gz CIZHHXGXFBOOTL-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CCNc1ccc(C(=O)N(CCC#N)C2CC2)cc1 ZINC000050778138 520282119 /nfs/dbraw/zinc/28/21/19/520282119.db2.gz UPBYFBUHKPDVOD-UHFFFAOYSA-N 0 0 257.337 2.637 10 30 CFEERN CCNc1ccc(COc2ccc(C#N)cc2)cn1 ZINC000050831106 520304514 /nfs/dbraw/zinc/30/45/14/520304514.db2.gz GBDXYUBHMNUIFP-UHFFFAOYSA-N 0 0 253.305 2.964 10 30 CFEERN CCNc1ccccc1C(=O)NCc1cccc(C#N)c1 ZINC000051668384 520338913 /nfs/dbraw/zinc/33/89/13/520338913.db2.gz HONIIDQZVVVSFZ-UHFFFAOYSA-N 0 0 279.343 2.920 10 30 CFEERN CCC[C@H](C)C(=O)Nc1cc(C#CCCO)ccc1OC ZINC000049589703 521006387 /nfs/dbraw/zinc/00/63/87/521006387.db2.gz WZZFULRSDGVLKP-ZDUSSCGKSA-N 0 0 289.375 2.804 10 30 CFEERN CCOC(=O)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049375488 521030700 /nfs/dbraw/zinc/03/07/00/521030700.db2.gz FTWLGDAPFPCFIW-MRVPVSSYSA-N 0 0 286.253 2.941 10 30 CFEERN CCOC(=O)[C@@H]1CCCN(c2cc(C)ccc2C#N)C1 ZINC000051596131 521119873 /nfs/dbraw/zinc/11/98/73/521119873.db2.gz HHDJRPQAUHOKAN-CQSZACIVSA-N 0 0 272.348 2.646 10 30 CFEERN CCC(C)(C)N(C)C(=O)c1ccc(F)cc1C#CCCO ZINC000069461343 521295838 /nfs/dbraw/zinc/29/58/38/521295838.db2.gz SGGTZTWWJRTWHI-UHFFFAOYSA-N 0 0 291.366 2.820 10 30 CFEERN CCC(C)(C)N(C)C[C@](C#N)(NC)c1ccccc1 ZINC000069443191 521304219 /nfs/dbraw/zinc/30/42/19/521304219.db2.gz HCZCEXUINWTCSK-INIZCTEOSA-N 0 0 259.397 2.745 10 30 CFEERN Cc1nc2c(cccc2C(=O)NC[C@H]2CCCC2=O)o1 ZINC000330041600 534626266 /nfs/dbraw/zinc/62/62/66/534626266.db2.gz DEPFQZPYTUVNBL-SNVBAGLBSA-N 0 0 272.304 2.810 10 30 CFEERN COCc1ccccc1-n1c(C)c(C)c(C#N)c1N ZINC000049511187 523085695 /nfs/dbraw/zinc/08/56/95/523085695.db2.gz HMFBBRLTZUYFMO-UHFFFAOYSA-N 0 0 255.321 2.694 10 30 CFEERN CN(Cc1ccc(C#CCO)cc1)c1ccccc1 ZINC000049615839 523206608 /nfs/dbraw/zinc/20/66/08/523206608.db2.gz XONYKGWCJCRKHI-UHFFFAOYSA-N 0 0 251.329 2.667 10 30 CFEERN CN(Cc1ccoc1)Cc1ccc(F)cc1C#CCCO ZINC000049614340 523474564 /nfs/dbraw/zinc/47/45/64/523474564.db2.gz PMFQXSAYVVTYJY-UHFFFAOYSA-N 0 0 287.334 2.785 10 30 CFEERN COc1ccc(C#CCO)cc1CN(C)c1ccccc1 ZINC000049615841 523517265 /nfs/dbraw/zinc/51/72/65/523517265.db2.gz MAWRKXLNQAFCKS-UHFFFAOYSA-N 0 0 281.355 2.675 10 30 CFEERN COc1ccc(CSCC(C)C)cc1C#CCO ZINC000049623136 524123100 /nfs/dbraw/zinc/12/31/00/524123100.db2.gz DEDBTFFMTAMHEL-UHFFFAOYSA-N 0 0 264.390 2.928 10 30 CFEERN C[C@@H](CC#N)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000048259148 524338451 /nfs/dbraw/zinc/33/84/51/524338451.db2.gz GTTOENWBJFTFDJ-ZETCQYMHSA-N 0 0 251.669 2.801 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)N(C)c2cc(Cl)ccc2C#N)O1 ZINC000156993913 524627644 /nfs/dbraw/zinc/62/76/44/524627644.db2.gz ZVRRLZWZJHNARN-NOZJJQNGSA-N 0 0 278.739 2.742 10 30 CFEERN COc1ccccc1OCc1ccccc1C#CCO ZINC000049620499 524686457 /nfs/dbraw/zinc/68/64/57/524686457.db2.gz ZUIRFVIZYYKAEG-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN C[C@H](NC(=O)C1CCCCC1)c1ccc(C#CCO)cc1 ZINC000049588483 524911569 /nfs/dbraw/zinc/91/15/69/524911569.db2.gz JMDRDCZGIDZGAW-AWEZNQCLSA-N 0 0 285.387 2.788 10 30 CFEERN Cc1cc(N(C)C[C@H]2CCCCO2)c(C#N)c(C)n1 ZINC000156543529 525026017 /nfs/dbraw/zinc/02/60/17/525026017.db2.gz XGNIISAQEUFOFP-CYBMUJFWSA-N 0 0 259.353 2.575 10 30 CFEERN C[C@H](NC(=O)c1ccccc1C#CCO)C1CCCCC1 ZINC000052344693 525237090 /nfs/dbraw/zinc/23/70/90/525237090.db2.gz DLXNDNDVXRIKPT-AWEZNQCLSA-N 0 0 285.387 2.729 10 30 CFEERN C[C@@H](NC(=O)c1ccc(C#CCO)s1)C1CCCCC1 ZINC000052344698 525321976 /nfs/dbraw/zinc/32/19/76/525321976.db2.gz BMUXBPVFVLZOPY-GFCCVEGCSA-N 0 0 291.416 2.791 10 30 CFEERN C[C@@H](NC(=O)c1ccsc1)c1cccc(C#CCCO)c1 ZINC000049589666 525368625 /nfs/dbraw/zinc/36/86/25/525368625.db2.gz YURNIFKAPBPNOW-CYBMUJFWSA-N 0 0 299.395 2.973 10 30 CFEERN Cc1cc(SCCOc2ccc(C#N)cc2)n(C)n1 ZINC000052309797 525434988 /nfs/dbraw/zinc/43/49/88/525434988.db2.gz RUCQRLAFUGOSMK-UHFFFAOYSA-N 0 0 273.361 2.771 10 30 CFEERN Cc1nc(C)c(CNC(=O)C[C@@H]2CCCCNC2=O)o1 ZINC000329192682 534881421 /nfs/dbraw/zinc/88/14/21/534881421.db2.gz SDEPYSLZQQLTHG-NSHDSACASA-N 0 0 279.340 2.895 10 30 CFEERN Cc1nc(C)c(CNC(=O)[C@@]2(C)CCCNC2=O)o1 ZINC000329187752 534881485 /nfs/dbraw/zinc/88/14/85/534881485.db2.gz QFHUSHKWTWQGAV-ZDUSSCGKSA-N 0 0 265.313 2.505 10 30 CFEERN Cc1cc(/C=N\[S@](=O)C(C)(C)C)cc(Cl)n1 ZINC000102245670 526097766 /nfs/dbraw/zinc/09/77/66/526097766.db2.gz PKDFDJUDEVKSSO-DJXGBFBFSA-N 0 0 258.774 2.925 10 30 CFEERN Cc1nn(CCCC[C@@](C)(N)C#N)c(C)c1Cl ZINC000050588042 526279589 /nfs/dbraw/zinc/27/95/89/526279589.db2.gz UOCVHOKUASLWHP-GFCCVEGCSA-N 0 0 254.765 2.565 10 30 CFEERN N#Cc1cc(Cl)ccc1-n1nnc2ccccc21 ZINC000052859786 526552394 /nfs/dbraw/zinc/55/23/94/526552394.db2.gz ONPMTDRWQBTSLU-UHFFFAOYSA-N 0 0 254.680 2.946 10 30 CFEERN N#Cc1ccc(OCc2cc(C#N)ccc2F)c(N)c1 ZINC000048786026 526677800 /nfs/dbraw/zinc/67/78/00/526677800.db2.gz AZSBMTJRYIVQBA-UHFFFAOYSA-N 0 0 267.263 2.730 10 30 CFEERN N#Cc1ccc(OCc2nc3sccc3c(N)n2)cc1 ZINC000050831097 526678419 /nfs/dbraw/zinc/67/84/19/526678419.db2.gz PPCAUPIXCGHBRO-UHFFFAOYSA-N 0 0 282.328 2.724 10 30 CFEERN N#Cc1cccc(OCc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000050831369 526729757 /nfs/dbraw/zinc/72/97/57/526729757.db2.gz YRTNSKDZXYJAHZ-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN N#Cc1ccccc1OCc1ccc(N)c([N+](=O)[O-])c1 ZINC000050831388 526747072 /nfs/dbraw/zinc/74/70/72/526747072.db2.gz IBFXMSXBGMRFSL-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN Cc1nc(C)c([C@@H](C)Nc2cc(C#N)ccc2C)c(=O)[nH]1 ZINC000050430010 526747996 /nfs/dbraw/zinc/74/79/96/526747996.db2.gz QGAKZVOHEJTVQT-LLVKDONJSA-N 0 0 282.347 2.740 10 30 CFEERN N#Cc1csc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000092831921 526782408 /nfs/dbraw/zinc/78/24/08/526782408.db2.gz GKJQZAXPBPHFLB-LBPRGKRZSA-N 0 0 291.401 2.650 10 30 CFEERN C=CCO[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000302128376 526820876 /nfs/dbraw/zinc/82/08/76/526820876.db2.gz GFXAAGARWIFDID-ZDUSSCGKSA-N 0 0 262.740 2.993 10 30 CFEERN Cc1nc(CN(C)c2ccc([N+](=O)[O-])cc2C#N)cs1 ZINC000049390933 526848009 /nfs/dbraw/zinc/84/80/09/526848009.db2.gz OOTCMGWKAXWWBP-UHFFFAOYSA-N 0 0 288.332 2.868 10 30 CFEERN OCC#Cc1cc(COc2ccccc2)ccc1F ZINC000049620426 527517880 /nfs/dbraw/zinc/51/78/80/527517880.db2.gz MHBIGOLCHQDWLV-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000329299389 527804717 /nfs/dbraw/zinc/80/47/17/527804717.db2.gz VBSUSSNCWKQPFY-REWJHTLYSA-N 0 0 269.385 2.555 10 30 CFEERN CCOC(=O)C(Br)=NNc1ccc(C)cc1 ZINC000096490041 528544153 /nfs/dbraw/zinc/54/41/53/528544153.db2.gz ADMCWRCDIXAVEC-UVTDQMKNSA-N 0 0 285.141 2.678 10 30 CFEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1cccc(Cl)c1 ZINC000234584186 567850711 /nfs/dbraw/zinc/85/07/11/567850711.db2.gz STSRAZOXYPEHPM-WDEREUQCSA-N 0 0 261.104 2.694 10 30 CFEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1cccc(Cl)c1 ZINC000234593248 567852733 /nfs/dbraw/zinc/85/27/33/567852733.db2.gz STSRAZOXYPEHPM-QWRGUYRKSA-N 0 0 261.104 2.694 10 30 CFEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccccc1Cl ZINC000234593626 567852886 /nfs/dbraw/zinc/85/28/86/567852886.db2.gz KMQNGXJFANVYEP-QWRGUYRKSA-N 0 0 261.104 2.694 10 30 CFEERN C#CCOCCC(=O)O[C@H]1CCCc2ccccc21 ZINC000161037609 617653065 /nfs/dbraw/zinc/65/30/65/617653065.db2.gz GPVPHHHNYMHVFI-HNNXBMFYSA-N 0 0 258.317 2.647 10 30 CFEERN CON=Cc1ccc(C(=O)O[C@H](C)C2CCOCC2)cc1 ZINC000255124938 617975093 /nfs/dbraw/zinc/97/50/93/617975093.db2.gz VXJXVOAFMRTHGC-GFCCVEGCSA-N 0 0 291.347 2.639 10 30 CFEERN CC[C@H]1OCC[C@H]1C(=O)Nc1cc(C#N)ccc1C ZINC000234150017 618020838 /nfs/dbraw/zinc/02/08/38/618020838.db2.gz JFTIJQRWCKQUTP-TZMCWYRMSA-N 0 0 258.321 2.620 10 30 CFEERN O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2COc3ccccc32)c1 ZINC000255635551 618236173 /nfs/dbraw/zinc/23/61/73/618236173.db2.gz RTYYBRZWRDWHOD-KHAFMBKQSA-N 0 0 284.271 2.853 10 30 CFEERN O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2COc3ccccc32)c1 ZINC000255635556 618236196 /nfs/dbraw/zinc/23/61/96/618236196.db2.gz RTYYBRZWRDWHOD-TUTDSIAXSA-N 0 0 284.271 2.853 10 30 CFEERN C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000062793530 618703148 /nfs/dbraw/zinc/70/31/48/618703148.db2.gz DZEJVVRNOFSWRI-NXEZZACHSA-N 0 0 250.729 2.825 10 30 CFEERN C[C@H](NC(=O)N1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000143925306 620001502 /nfs/dbraw/zinc/00/15/02/620001502.db2.gz RJTPMPGPSCKUMM-JTQLQIEISA-N 0 0 293.317 2.971 10 30 CFEERN C[C@@H]1OCC[C@H]1Nc1nc2ccccc2cc1C#N ZINC000149800936 622319542 /nfs/dbraw/zinc/31/95/42/622319542.db2.gz AODTZAPJIXILBQ-GXFFZTMASA-N 0 0 253.305 2.696 10 30 CFEERN C#CCOCCC(=O)O[C@H](C)c1nc2ccccc2s1 ZINC000164981245 622976796 /nfs/dbraw/zinc/97/67/96/622976796.db2.gz MYIZJFSVZUMVDK-LLVKDONJSA-N 0 0 289.356 2.940 10 30 CFEERN C#Cc1cccc(N(CC)Cc2nccn2CC)c1 ZINC000171395771 623220875 /nfs/dbraw/zinc/22/08/75/623220875.db2.gz ZLEAARTVUPTXGG-UHFFFAOYSA-N 0 0 253.349 2.911 10 30 CFEERN N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000061892880 623240511 /nfs/dbraw/zinc/24/05/11/623240511.db2.gz QBCOGWRAEPDADM-SKDRFNHKSA-N 0 0 295.180 2.937 10 30 CFEERN N#CCCCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171771093 623241903 /nfs/dbraw/zinc/24/19/03/623241903.db2.gz UGFGLCYNAKGPNI-WDEREUQCSA-N 0 0 265.259 2.915 10 30 CFEERN COC1CC(Nc2ccc(Br)cc2C#N)C1 ZINC000230599035 623285723 /nfs/dbraw/zinc/28/57/23/623285723.db2.gz DCCWETUSWVYFLX-UHFFFAOYSA-N 0 0 281.153 2.910 10 30 CFEERN C#CCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000172943562 623323269 /nfs/dbraw/zinc/32/32/69/623323269.db2.gz KQIKENCWJFLHST-VXGBXAGGSA-N 0 0 263.287 2.598 10 30 CFEERN C#CCCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000174080914 623386045 /nfs/dbraw/zinc/38/60/45/623386045.db2.gz FEIOVJKGKQFATH-SNVBAGLBSA-N 0 0 266.291 2.738 10 30 CFEERN C#C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)C1CC1 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2.627 10 30 CFEERN Cc1c(C(=O)N[C@@H](C)c2ccccc2C)cnn1CCC#N ZINC000887702427 647393798 /nfs/dbraw/zinc/39/37/98/647393798.db2.gz ILOUAAZKPUSFKR-ZDUSSCGKSA-N 0 0 296.374 2.905 10 30 CFEERN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000097949847 230388435 /nfs/dbraw/zinc/38/84/35/230388435.db2.gz KGWZMKSODUPSGD-UHFFFAOYSA-N 0 0 266.515 2.716 10 30 CFEERN N#Cc1c(N)[nH]cc1-c1ccc(Br)s1 ZINC000082574167 178114466 /nfs/dbraw/zinc/11/44/66/178114466.db2.gz BWKWPFAYTYRDGQ-UHFFFAOYSA-N 0 0 268.139 2.960 10 30 CFEERN C#CCN(OCc1ccccc1)C(=O)c1ccccc1 ZINC000071778315 346922972 /nfs/dbraw/zinc/92/29/72/346922972.db2.gz AVUISXRMOYCADX-UHFFFAOYSA-N 0 0 265.312 2.894 10 30 CFEERN C[C@@H](C#N)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334633772 295695278 /nfs/dbraw/zinc/69/52/78/295695278.db2.gz HPDWKVRKTOFKRX-QWRGUYRKSA-N 0 0 276.302 2.579 10 30 CFEERN C=CCN1c2cc(NC(=O)C(C)(C)C)ccc2OCC1=O ZINC000012118801 136378727 /nfs/dbraw/zinc/37/87/27/136378727.db2.gz DKTVWXQKNSOEKJ-UHFFFAOYSA-N 0 0 288.347 2.583 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c(F)cc(F)cc1F ZINC000086996766 260210853 /nfs/dbraw/zinc/21/08/53/260210853.db2.gz SDFRZGJOWYNFPH-RDDDGLTNSA-N 0 0 268.238 2.526 10 30 CFEERN N#C[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015783045 346236315 /nfs/dbraw/zinc/23/63/15/346236315.db2.gz CBGHVEJYUPRQMV-CQSZACIVSA-N 0 0 257.314 2.725 10 30 CFEERN O=C(CCCCCCCc1ccccc1)C(=O)NO ZINC000033976282 346313729 /nfs/dbraw/zinc/31/37/29/346313729.db2.gz LIJJXFKOUVTCEP-UHFFFAOYSA-N 0 0 263.337 2.644 10 30 CFEERN CC(=NC#N)NC1c2ccccc2OCOc2ccccc21 ZINC000034045405 346314028 /nfs/dbraw/zinc/31/40/28/346314028.db2.gz HNEOWBXUDNBNLR-UHFFFAOYSA-N 0 0 293.326 2.994 10 30 CFEERN N#CNC(=NCc1ccccc1)Oc1ccccc1 ZINC000034155845 346314642 /nfs/dbraw/zinc/31/46/42/346314642.db2.gz ZOWIXKKQWPMWCS-UHFFFAOYSA-N 0 0 251.289 2.692 10 30 CFEERN COc1cccc2c1CCC[C@H]2CCCOS(C)(=O)=O ZINC000034421632 346316536 /nfs/dbraw/zinc/31/65/36/346316536.db2.gz KZDHHNQJUXBHGV-LBPRGKRZSA-N 0 0 298.404 2.872 10 30 CFEERN COc1cccc([S@](=O)c2cccc(F)c2C#N)c1 ZINC000034460561 346317389 /nfs/dbraw/zinc/31/73/89/346317389.db2.gz DMFWGTJSSWPMBM-LJQANCHMSA-N 0 0 275.304 2.873 10 30 CFEERN C#CCNc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000034524286 346318155 /nfs/dbraw/zinc/31/81/55/346318155.db2.gz XNYYREOGGSRWSD-UHFFFAOYSA-N 0 0 271.341 2.565 10 30 CFEERN C[C@@H](C#N)C(=O)c1ccccc1I ZINC000036931628 346324453 /nfs/dbraw/zinc/32/44/53/346324453.db2.gz UKMPRRFYKDXNNB-ZETCQYMHSA-N 0 0 285.084 2.634 10 30 CFEERN CC(=O)C[C@](C#N)(c1ccccc1)c1ccccn1 ZINC000038919423 346340651 /nfs/dbraw/zinc/34/06/51/346340651.db2.gz FQKHPNGDKORLNC-INIZCTEOSA-N 0 0 250.301 2.870 10 30 CFEERN N#Cc1ccccc1[S@@](=O)c1cccc(F)c1C#N ZINC000039127021 346341304 /nfs/dbraw/zinc/34/13/04/346341304.db2.gz OIRVBZNLRGSVFM-IBGZPJMESA-N 0 0 270.288 2.736 10 30 CFEERN COc1ccc(/C=N/c2c(C)n[nH]c2C)c(OC)c1 ZINC000100333751 185712750 /nfs/dbraw/zinc/71/27/50/185712750.db2.gz LLWRMALKFPTJNU-OVCLIPMQSA-N 0 0 259.309 2.794 10 30 CFEERN N#C[C@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828667 346577029 /nfs/dbraw/zinc/57/70/29/346577029.db2.gz HTDQOTSZSXMJSM-YPMHNXCESA-N 0 0 259.309 2.767 10 30 CFEERN N#C[C@@H]1CCCC[C@H]1NCc1cccc2c1OCO2 ZINC000054826171 346577237 /nfs/dbraw/zinc/57/72/37/346577237.db2.gz GDBNAHCMYOLDGP-WCQYABFASA-N 0 0 258.321 2.587 10 30 CFEERN COc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1OC ZINC000054825263 346577262 /nfs/dbraw/zinc/57/72/62/346577262.db2.gz CSOGRMJBBHNZNT-UONOGXRCSA-N 0 0 274.364 2.876 10 30 CFEERN C=CCCC(=O)Nc1cccc(Br)n1 ZINC000054400222 346568931 /nfs/dbraw/zinc/56/89/31/346568931.db2.gz KJOMBELAAXIJJT-UHFFFAOYSA-N 0 0 255.115 2.749 10 30 CFEERN N/C(=N\O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000019865847 136578975 /nfs/dbraw/zinc/57/89/75/136578975.db2.gz QRSVIJJQWVHQSM-UHFFFAOYSA-N 0 0 267.332 2.865 10 30 CFEERN CC[C@@H](Nc1snc(Cl)c1C#N)c1noc(C)n1 ZINC000080680125 347374200 /nfs/dbraw/zinc/37/42/00/347374200.db2.gz ABTMLKBABJLMNG-SSDOTTSWSA-N 0 0 283.744 2.923 10 30 CFEERN N#CC1(C(=O)N[C@H]2CCCc3ccccc32)CCC1 ZINC000083794893 347454697 /nfs/dbraw/zinc/45/46/97/347454697.db2.gz ZYCLZMYRZSNFEC-AWEZNQCLSA-N 0 0 254.333 2.874 10 30 CFEERN CCC[C@@H](CC(=O)OC)Nc1ccc(Cl)c(C#N)n1 ZINC000092947186 347653337 /nfs/dbraw/zinc/65/33/37/347653337.db2.gz NXUIDBZATDMJBP-VIFPVBQESA-N 0 0 281.743 2.750 10 30 CFEERN N#Cc1ccc(N[C@@H](CO)c2ccc(Cl)cc2)nc1 ZINC000092960940 347655079 /nfs/dbraw/zinc/65/50/79/347655079.db2.gz MSQXWPOFARKBSY-ZDUSSCGKSA-N 0 0 273.723 2.752 10 30 CFEERN Cc1cc(-n2ncc(C#N)c2N)c2cc(Cl)ccc2n1 ZINC000096836630 347705996 /nfs/dbraw/zinc/70/59/96/347705996.db2.gz IVWBUVUILWGRGA-UHFFFAOYSA-N 0 0 283.722 2.836 10 30 CFEERN Cc1cc2ncc(C#Cc3ccccc3F)cn2n1 ZINC000117727339 347793880 /nfs/dbraw/zinc/79/38/80/347793880.db2.gz RIDPUVXKVUDJHT-UHFFFAOYSA-N 0 0 251.264 2.577 10 30 CFEERN COc1ccccc1C[C@@](C)(Br)C#N ZINC000127652672 347842609 /nfs/dbraw/zinc/84/26/09/347842609.db2.gz SBOOXMCONNQHTP-LLVKDONJSA-N 0 0 254.127 2.915 10 30 CFEERN COc1ccccc1C[C@](C)(Br)C#N ZINC000127652893 347842881 /nfs/dbraw/zinc/84/28/81/347842881.db2.gz SBOOXMCONNQHTP-NSHDSACASA-N 0 0 254.127 2.915 10 30 CFEERN Cc1ccc(C(=O)C(C#N)C#N)c(Br)c1 ZINC000129538757 347862676 /nfs/dbraw/zinc/86/26/76/347862676.db2.gz QBPDIDANDIOUSJ-UHFFFAOYSA-N 0 0 263.094 2.604 10 30 CFEERN C#C[C@@H](N)c1cc(Br)c(Br)s1 ZINC000130086448 347867663 /nfs/dbraw/zinc/86/76/63/347867663.db2.gz VRMAGVPDSLBJTJ-RXMQYKEDSA-N 0 0 294.999 2.906 10 30 CFEERN C#C[C@H](NCC)c1cc(F)ccc1Br ZINC000130170111 347868321 /nfs/dbraw/zinc/86/83/21/347868321.db2.gz ABWUUYHHIUXUQK-NSHDSACASA-N 0 0 256.118 2.872 10 30 CFEERN C[C@H]1CCN1c1ccc(Br)cc1C#N ZINC000132729375 347887117 /nfs/dbraw/zinc/88/71/17/347887117.db2.gz VXEFCIWVBPRASE-QMMMGPOBSA-N 0 0 251.127 2.919 10 30 CFEERN C=C(Br)C(=O)c1ccc2c(c1)OCO2 ZINC000140501850 347926641 /nfs/dbraw/zinc/92/66/41/347926641.db2.gz KAVBMBNJNAVUBP-UHFFFAOYSA-N 0 0 255.067 2.507 10 30 CFEERN CN[C@H](C#N)c1ccc(Cl)c(Br)c1 ZINC000137176663 347912028 /nfs/dbraw/zinc/91/20/28/347912028.db2.gz CWUWHNXGSOBPQJ-SECBINFHSA-N 0 0 259.534 2.887 10 30 CFEERN CCCCCCC[C@@H]([C@@H](C)O)n1cnc2c1ncnc2N ZINC000137069921 347912088 /nfs/dbraw/zinc/91/20/88/347912088.db2.gz BSKMVQCZYPAWBC-NEPJUHHUSA-N 0 0 291.399 2.691 10 30 CFEERN CSc1ccc([C@@H](O)C#CC2(O)CCCC2)cc1 ZINC000138265593 347915426 /nfs/dbraw/zinc/91/54/26/347915426.db2.gz GWNJMFPBNVSBBT-AWEZNQCLSA-N 0 0 262.374 2.750 10 30 CFEERN CC(C)(C)OC(=O)N[C@](C)(C=O)c1ccc(Cl)nc1 ZINC000139565762 347921847 /nfs/dbraw/zinc/92/18/47/347921847.db2.gz KMNLPFAOQHJNSP-CYBMUJFWSA-N 0 0 284.743 2.674 10 30 CFEERN N#Cc1cc(N)c(N)cc1N1CCC[C@H](C(F)(F)F)C1 ZINC000149113495 347951975 /nfs/dbraw/zinc/95/19/75/347951975.db2.gz DNUMXZBSLANCDT-VIFPVBQESA-N 0 0 284.285 2.501 10 30 CFEERN C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000153609229 347973843 /nfs/dbraw/zinc/97/38/43/347973843.db2.gz OPSMPOKJNUIPLX-KGLIPLIRSA-N 0 0 268.401 2.942 10 30 CFEERN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086791696 179336311 /nfs/dbraw/zinc/33/63/11/179336311.db2.gz LJXOGEIBKBYWJN-BXUZGUMPSA-N 0 0 258.321 2.558 10 30 CFEERN CCN[C@@H](C#N)c1ccc(Br)c(F)c1 ZINC000161427505 348024324 /nfs/dbraw/zinc/02/43/24/348024324.db2.gz TXMXLDKHYWCUDG-JTQLQIEISA-N 0 0 257.106 2.762 10 30 CFEERN CN(C)[C@H](C#N)c1ccc(Br)c(F)c1 ZINC000161612217 348025429 /nfs/dbraw/zinc/02/54/29/348025429.db2.gz WOWZNHDPOFFTRV-SNVBAGLBSA-N 0 0 257.106 2.714 10 30 CFEERN CC#CCCC(=O)c1ccc(Br)cn1 ZINC000163887075 348035133 /nfs/dbraw/zinc/03/51/33/348035133.db2.gz AUBSBBUZQRSPMI-UHFFFAOYSA-N 0 0 252.111 2.830 10 30 CFEERN C[C@@H](CO)Sc1cc(Br)ccc1C#N ZINC000166047795 348041153 /nfs/dbraw/zinc/04/11/53/348041153.db2.gz HEJCMHGGKQFWFY-ZETCQYMHSA-N 0 0 272.167 2.794 10 30 CFEERN CC(C)(C)Cc1ccc(N2CC[C@H](O)C2)c(C#N)c1 ZINC000166435765 348042445 /nfs/dbraw/zinc/04/24/45/348042445.db2.gz GKAPJPPVZIMMSX-AWEZNQCLSA-N 0 0 258.365 2.718 10 30 CFEERN C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000086814180 179342295 /nfs/dbraw/zinc/34/22/95/179342295.db2.gz XVTRWAUQHMRKFH-SWLSCSKDSA-N 0 0 272.348 2.948 10 30 CFEERN C=CCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1OC ZINC000167765919 348046306 /nfs/dbraw/zinc/04/63/06/348046306.db2.gz WSVJMNPHPUYSEN-LLVKDONJSA-N 0 0 251.326 2.678 10 30 CFEERN C=C(Cl)CNc1ncc(N)cc1Br ZINC000168173971 348047219 /nfs/dbraw/zinc/04/72/19/348047219.db2.gz ZGBWQWLTBMLFSX-UHFFFAOYSA-N 0 0 262.538 2.591 10 30 CFEERN C/C(C(=O)c1ccc(Cl)cc1)=[N+](/[O-])[C@@H]1CCC/C1=N\O ZINC000225385992 348176714 /nfs/dbraw/zinc/17/67/14/348176714.db2.gz AKOXHRGCUDNLTM-MLDYKZIASA-O 0 0 295.746 2.768 10 30 CFEERN Cn1nccc1C#Cc1ccc(C(F)(F)F)cc1 ZINC000220031238 348168916 /nfs/dbraw/zinc/16/89/16/348168916.db2.gz WELVNMSOCMMINL-UHFFFAOYSA-N 0 0 250.223 2.839 10 30 CFEERN COC(=O)c1cc(C#N)ccc1-c1ccccc1[N+](=O)[O-] ZINC000219595461 348168924 /nfs/dbraw/zinc/16/89/24/348168924.db2.gz OLTJXBKPUGZYHE-UHFFFAOYSA-N 0 0 282.255 2.920 10 30 CFEERN C=C[C@H](CO)N(OCc1ccccc1)C(=O)OC(C)(C)C ZINC000220830053 348170033 /nfs/dbraw/zinc/17/00/33/348170033.db2.gz WKJWJPMUUZIOED-CQSZACIVSA-N 0 0 293.363 2.902 10 30 CFEERN CCOC(=O)c1cccc(C#CC2(O)CCCC2)c1 ZINC000225776576 348179317 /nfs/dbraw/zinc/17/93/17/348179317.db2.gz VILSIXGJOUCITH-UHFFFAOYSA-N 0 0 258.317 2.520 10 30 CFEERN N#Cc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000222491762 348173287 /nfs/dbraw/zinc/17/32/87/348173287.db2.gz CYHAISGKBWVBMS-UHFFFAOYSA-N 0 0 279.267 2.669 10 30 CFEERN C#C[C@@H](NC)c1cc(Cl)ccc1Br ZINC000234448560 348220093 /nfs/dbraw/zinc/22/00/93/348220093.db2.gz OQBBMEZYWSOENG-SNVBAGLBSA-N 0 0 258.546 2.996 10 30 CFEERN C#C[C@@H](C)Nc1cc(Br)nc(CCC)n1 ZINC000229337003 348200583 /nfs/dbraw/zinc/20/05/83/348200583.db2.gz GSJLEYDUWOZCIF-MRVPVSSYSA-N 0 0 268.158 2.625 10 30 CFEERN COc1cc(C#N)ccc1NC(=O)[C@H]1CCC[C@H]1C ZINC000231753315 348208778 /nfs/dbraw/zinc/20/87/78/348208778.db2.gz HVZGQTUZNSNIQV-PWSUYJOCSA-N 0 0 258.321 2.942 10 30 CFEERN O=C(CS)Nc1cc(F)c(Br)cc1F ZINC000232155672 348210517 /nfs/dbraw/zinc/21/05/17/348210517.db2.gz 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NKNFQKYOKQYUIZ-JNRDBWBESA-N 0 0 256.345 2.802 10 30 CFEERN CC(C)CC(C)(C)N=C(NC#N)Nc1ccncc1 ZINC000026576658 372325473 /nfs/dbraw/zinc/32/54/73/372325473.db2.gz XLLCSECCUBEZSF-UHFFFAOYSA-N 0 0 259.357 2.745 10 30 CFEERN C=CC[C@](O)(CCN1CCOCC1)c1ccc(Cl)cc1 ZINC000027346170 372338862 /nfs/dbraw/zinc/33/88/62/372338862.db2.gz TVUUCRALGQEQKO-INIZCTEOSA-N 0 0 295.810 2.826 10 30 CFEERN N#Cc1ccc(NC(=O)c2cccc3[nH]cnc32)cc1 ZINC000027523930 372341302 /nfs/dbraw/zinc/34/13/02/372341302.db2.gz HXLHSMKXMNETCS-UHFFFAOYSA-N 0 0 262.272 2.687 10 30 CFEERN N#CC(=NNc1ccccc1Cl)C1=NC(=O)CS1 ZINC000033960848 372503653 /nfs/dbraw/zinc/50/36/53/372503653.db2.gz FBEFVORFSWDESP-SXGWCWSVSA-N 0 0 278.724 2.842 10 30 CFEERN C=CC[C@]1(C(F)(F)F)N[C@H](c2ccccc2)COC1=O ZINC000034809047 372514702 /nfs/dbraw/zinc/51/47/02/372514702.db2.gz VCQGJGJQASTEJM-AAEUAGOBSA-N 0 0 285.265 2.751 10 30 CFEERN C=C(C)C(=O)O[C@@H](C)CC(O)(C(F)(F)F)C(F)(F)F ZINC000034947662 372519431 /nfs/dbraw/zinc/51/94/31/372519431.db2.gz CZDKPGBADTUZLK-LURJTMIESA-N 0 0 294.191 2.740 10 30 CFEERN C=C(C)C(=O)O[C@H](C)CC(O)(C(F)(F)F)C(F)(F)F ZINC000034947663 372520410 /nfs/dbraw/zinc/52/04/10/372520410.db2.gz CZDKPGBADTUZLK-ZCFIWIBFSA-N 0 0 294.191 2.740 10 30 CFEERN CC(C)N1CCc2nc3ccccc3c(C#N)c2C1 ZINC000036457361 372580482 /nfs/dbraw/zinc/58/04/82/372580482.db2.gz KCKMCIGXRJRXEK-UHFFFAOYSA-N 0 0 251.333 2.873 10 30 CFEERN C[C@@H](C#N)CNc1ccccc1I ZINC000036677353 372585408 /nfs/dbraw/zinc/58/54/08/372585408.db2.gz CMWLXMMVKMPCJU-QMMMGPOBSA-N 0 0 286.116 2.863 10 30 CFEERN CCN[C@@H](C#N)c1ccc(Br)cc1F ZINC000036670334 372585709 /nfs/dbraw/zinc/58/57/09/372585709.db2.gz MIFXHKSHAHFLBV-JTQLQIEISA-N 0 0 257.106 2.762 10 30 CFEERN C#CCNCc1cc(Cl)cc(OC)c1OCCC ZINC000045945368 373038513 /nfs/dbraw/zinc/03/85/13/373038513.db2.gz OUOBZKMFPKNDMT-UHFFFAOYSA-N 0 0 267.756 2.860 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000061888624 373734659 /nfs/dbraw/zinc/73/46/59/373734659.db2.gz UUFDTMZISQWTBK-KCJUWKMLSA-N 0 0 266.703 2.901 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2c1O ZINC000061888698 373734969 /nfs/dbraw/zinc/73/49/69/373734969.db2.gz MZZJFVJZAAUPLK-WFASDCNBSA-N 0 0 280.327 2.967 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(-n2cccn2)cc1 ZINC000061892436 373739361 /nfs/dbraw/zinc/73/93/61/373739361.db2.gz CKWKWUNNCJRMHI-GOEBONIOSA-N 0 0 266.348 2.654 10 30 CFEERN O=C(Nc1ccc(OC[C@@H]2CO2)cc1)NC1CCCCC1 ZINC000065739539 373897686 /nfs/dbraw/zinc/89/76/86/373897686.db2.gz OWUOHIMJYZRAGE-OAHLLOKOSA-N 0 0 290.363 2.918 10 30 in-vitro CFEERN N#Cc1cc(F)c(N[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000090794734 375029138 /nfs/dbraw/zinc/02/91/38/375029138.db2.gz XQAHYGASTUDSCV-NEPJUHHUSA-N 0 0 252.264 2.552 10 30 CFEERN CN(CCC#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091676577 375058357 /nfs/dbraw/zinc/05/83/57/375058357.db2.gz FVILCJWDUYNDCR-ZDUSSCGKSA-N 0 0 277.755 2.678 10 30 CFEERN C#Cc1cc(Br)cc(Br)c1N ZINC000095934971 375462821 /nfs/dbraw/zinc/46/28/21/375462821.db2.gz VYBPCLDDZUSXQU-UHFFFAOYSA-N 0 0 274.943 2.775 10 30 CFEERN COC[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000103382538 375736508 /nfs/dbraw/zinc/73/65/08/375736508.db2.gz TZPRFDDBYSGMMN-GFCCVEGCSA-N 0 0 276.336 2.590 10 30 CFEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000120339723 376598201 /nfs/dbraw/zinc/59/82/01/376598201.db2.gz BWVSACQWEQGTQK-KBPBESRZSA-N 0 0 262.378 2.763 10 30 CFEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000130310791 377536339 /nfs/dbraw/zinc/53/63/39/377536339.db2.gz RPHFMXXSIHMGJA-UKRRQHHQSA-N 0 0 259.349 2.769 10 30 CFEERN C[C@]1(CO)CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000132761911 377873558 /nfs/dbraw/zinc/87/35/58/377873558.db2.gz UUNMSIYTRBZOSB-AWEZNQCLSA-N 0 0 264.756 2.810 10 30 CFEERN C=CCN(CCO)c1ccnc2cc(Cl)ccc21 ZINC000157707345 378659194 /nfs/dbraw/zinc/65/91/94/378659194.db2.gz SAPAIACUXNPVFT-UHFFFAOYSA-N 0 0 262.740 2.873 10 30 CFEERN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCS1 ZINC000161190539 378829098 /nfs/dbraw/zinc/82/90/98/378829098.db2.gz YBWZUUDVZAQOKW-NSHDSACASA-N 0 0 273.405 2.774 10 30 CFEERN C=C(C)CNC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000160989329 378814432 /nfs/dbraw/zinc/81/44/32/378814432.db2.gz LZVHTMYKUQMTNX-STQMWFEESA-N 0 0 296.411 2.762 10 30 CFEERN C[C@@H]1OCC[C@H]1Nc1cccc(Br)c1C#N ZINC000165002963 379030547 /nfs/dbraw/zinc/03/05/47/379030547.db2.gz RVKUCSZZXDVCCS-GZMMTYOYSA-N 0 0 281.153 2.910 10 30 CFEERN C=CCN(Cc1nnc(CC)n1C)CC1CCCCC1 ZINC000171963477 379453411 /nfs/dbraw/zinc/45/34/11/379453411.db2.gz IEUNMWPBGQSZMX-UHFFFAOYSA-N 0 0 276.428 2.946 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000175414306 380061332 /nfs/dbraw/zinc/06/13/32/380061332.db2.gz RGFGEUCGIFTEAX-ZDUSSCGKSA-N 0 0 285.734 2.957 10 30 CFEERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@H](C)C#N)C2)n1 ZINC000182872007 381177046 /nfs/dbraw/zinc/17/70/46/381177046.db2.gz XZBGUEDUJNBXAN-ZYHUDNBSSA-N 0 0 292.408 2.500 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000185466007 381640589 /nfs/dbraw/zinc/64/05/89/381640589.db2.gz NVQIJMZHSHSXPG-TZMCWYRMSA-N 0 0 291.395 2.761 10 30 CFEERN COc1ccc([C@H](C)Nc2nccnc2C#N)c(OC)c1 ZINC000301171516 382098654 /nfs/dbraw/zinc/09/86/54/382098654.db2.gz KFMLMXNGJRCGNF-JTQLQIEISA-N 0 0 284.319 2.539 10 30 CFEERN N#Cc1cnc2ccccc2c1NCCCC(=O)NC1CC1 ZINC000301369353 382161721 /nfs/dbraw/zinc/16/17/21/382161721.db2.gz OXOHHYCUSNIYNU-UHFFFAOYSA-N 0 0 294.358 2.577 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000302138484 382209044 /nfs/dbraw/zinc/20/90/44/382209044.db2.gz IOVBZWUDHCDTHZ-GFCCVEGCSA-N 0 0 299.330 2.924 10 30 CFEERN C=CCO[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302162512 382211642 /nfs/dbraw/zinc/21/16/42/382211642.db2.gz OGQBAQSNMKIJJP-AWEZNQCLSA-N 0 0 279.343 2.888 10 30 CFEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C)c(C#N)n1 ZINC000302675834 382289224 /nfs/dbraw/zinc/28/92/24/382289224.db2.gz UIANYBZBWIFTSU-HNNXBMFYSA-N 0 0 295.390 2.954 10 30 CFEERN CCn1cc(C2CCN(c3ccc(C)c(C#N)n3)CC2)cn1 ZINC000302601443 382275415 /nfs/dbraw/zinc/27/54/15/382275415.db2.gz CCUBAQDASPXANZ-UHFFFAOYSA-N 0 0 295.390 2.862 10 30 CFEERN CC[C@H](C#N)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000346508402 382390104 /nfs/dbraw/zinc/39/01/04/382390104.db2.gz TVYQVUJJAHVNKL-MWLCHTKSSA-N 0 0 266.728 2.526 10 30 CFEERN Cc1cc(Br)cc([N+](=O)[O-])c1CC#N ZINC000306930604 382462238 /nfs/dbraw/zinc/46/22/38/382462238.db2.gz DETXMKDXCYVVAV-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN N#CCc1cc([N+](=O)[O-])cc(Br)c1F ZINC000307068524 382463868 /nfs/dbraw/zinc/46/38/68/382463868.db2.gz WNGARLHHGQNUCO-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN CC(C)N(Cc1ccccc1)C(=O)C#CBr ZINC000307216285 382464615 /nfs/dbraw/zinc/46/46/15/382464615.db2.gz LTULJTIQCKAVLI-UHFFFAOYSA-N 0 0 280.165 2.779 10 30 CFEERN COC(=O)c1c(Br)ccc(Cl)c1C#N ZINC000307343771 382466143 /nfs/dbraw/zinc/46/61/43/382466143.db2.gz XRVWFTUVDPOWEL-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN COC(=O)c1c(Cl)ccc(Br)c1C#N ZINC000307344413 382466404 /nfs/dbraw/zinc/46/64/04/382466404.db2.gz YYBGFLPOKVZHKC-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cnc2ccccc2c1 ZINC000312451262 382514531 /nfs/dbraw/zinc/51/45/31/382514531.db2.gz CPRSZHXNJCMUEU-SWLSCSKDSA-N 0 0 265.316 2.657 10 30 CFEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000353507105 382555291 /nfs/dbraw/zinc/55/52/91/382555291.db2.gz NISVJUDKDGPMFK-BBRMVZONSA-N 0 0 274.364 2.648 10 30 CFEERN N#Cc1cc2c(nc1-n1cc(Cl)cn1)CCCC2 ZINC000043410267 184559477 /nfs/dbraw/zinc/55/94/77/184559477.db2.gz JRLXFIQFNPEKQQ-UHFFFAOYSA-N 0 0 258.712 2.671 10 30 CFEERN C=CCC1(C(=O)N[C@@H]2COc3ccccc32)CCC1 ZINC000190706259 382678362 /nfs/dbraw/zinc/67/83/62/382678362.db2.gz UINLTRXQCZZDPU-CYBMUJFWSA-N 0 0 257.333 2.983 10 30 CFEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191954182 382703679 /nfs/dbraw/zinc/70/36/79/382703679.db2.gz ZTTOQFUIMPAWGK-CHWSQXEVSA-N 0 0 266.385 2.732 10 30 CFEERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H](C)C2 ZINC000193782936 382725398 /nfs/dbraw/zinc/72/53/98/382725398.db2.gz QMSBRLLKZOEFIJ-SJCJKPOMSA-N 0 0 291.354 2.925 10 30 CFEERN N#Cc1cc(C(=O)COc2ccccc2)ccc1F ZINC000575242912 382732415 /nfs/dbraw/zinc/73/24/15/382732415.db2.gz LSMJNVXTKROTSI-UHFFFAOYSA-N 0 0 255.248 2.959 10 30 CFEERN N#Cc1ccc(OC(F)(F)F)c(C(F)(F)F)n1 ZINC000575374264 382761986 /nfs/dbraw/zinc/76/19/86/382761986.db2.gz FVUGEOIZKVUJQS-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1ncc(OC(F)(F)F)cc1C(F)(F)F ZINC000575374338 382762023 /nfs/dbraw/zinc/76/20/23/382762023.db2.gz OIIBEYJPBNDWDO-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN COC(=O)c1c(Cl)cc(OC(F)(F)F)cc1C#N ZINC000575382916 382763095 /nfs/dbraw/zinc/76/30/95/382763095.db2.gz RLGQSKBEFDQXEQ-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)Cc1cc(Cl)c(C#N)c(OC(F)(F)F)c1 ZINC000575383022 382763202 /nfs/dbraw/zinc/76/32/02/382763202.db2.gz ANRKFRNSDQUYBZ-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN CCOC(=O)Cc1c(CC)ccc(Br)c1C#N ZINC000575382973 382763322 /nfs/dbraw/zinc/76/33/22/382763322.db2.gz GDTPBGNXBNJLLW-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1OC(F)F ZINC000575385334 382763834 /nfs/dbraw/zinc/76/38/34/382763834.db2.gz LQTHRORIJSCYOK-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(OC(F)F)c1C(F)F ZINC000575385327 382763846 /nfs/dbraw/zinc/76/38/46/382763846.db2.gz LCWSENHSKSBHPF-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1OC(F)F ZINC000575385336 382763854 /nfs/dbraw/zinc/76/38/54/382763854.db2.gz LTMIWSXOMHPEPP-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)c1cc(C#N)c(C(F)F)cc1OC(F)F ZINC000575385370 382763907 /nfs/dbraw/zinc/76/39/07/382763907.db2.gz NFFTXCHIFMPOQM-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN COC(=O)Cc1ccc(C(F)F)c(OC(F)F)c1C#N ZINC000575385208 382763911 /nfs/dbraw/zinc/76/39/11/382763911.db2.gz CNFPZEXJRAKVJD-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)c1cc(CC)cc(C#N)c1OC(F)F ZINC000575385245 382763922 /nfs/dbraw/zinc/76/39/22/382763922.db2.gz FYAIDTADKFYSGP-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)c1c(CC)ccc(C#N)c1OC(F)F ZINC000575385385 382764160 /nfs/dbraw/zinc/76/41/60/382764160.db2.gz NTYZGOBSEXALFC-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1c(OC(F)F)cc(C#N)cc1C(F)F ZINC000575385543 382764222 /nfs/dbraw/zinc/76/42/22/382764222.db2.gz ZDBKWMJVRBMCMY-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1c(CC)ccc(OC(F)F)c1C#N ZINC000575385444 382764331 /nfs/dbraw/zinc/76/43/31/382764331.db2.gz QZITZMOGNSMETF-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1CC ZINC000575385390 382764344 /nfs/dbraw/zinc/76/43/44/382764344.db2.gz NWFIYYGSSDAZHV-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCc1cc(C#N)c(C(=O)OC)cc1OC(F)F ZINC000575385500 382764349 /nfs/dbraw/zinc/76/43/49/382764349.db2.gz VSDWCSCMCLXEEP-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCc1c(C#N)ccc(OC(F)F)c1C(=O)OC ZINC000575385476 382764358 /nfs/dbraw/zinc/76/43/58/382764358.db2.gz UANGYLUMYIXJBP-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)c1c(C#N)ccc(OC(F)F)c1C(F)(F)F ZINC000575387190 382764410 /nfs/dbraw/zinc/76/44/10/382764410.db2.gz ZEWICIJWHWPQBI-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1c(C#N)c(OC(F)F)ccc1C(F)(F)F ZINC000575386912 382764504 /nfs/dbraw/zinc/76/45/04/382764504.db2.gz PFCJPGNLTDJCDZ-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1cc(OC(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575386797 382764623 /nfs/dbraw/zinc/76/46/23/382764623.db2.gz HLIQZISHJAEUSI-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1ccc(C)c(OC(F)F)c1C#N ZINC000575388653 382764921 /nfs/dbraw/zinc/76/49/21/382764921.db2.gz QGUFLVBRDRGETI-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)Cc1ccc(C)c(C#N)c1OC(F)F ZINC000575388187 382764934 /nfs/dbraw/zinc/76/49/34/382764934.db2.gz NRHHUTFMKMOHQB-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(C)c1OC(F)F ZINC000575388704 382765116 /nfs/dbraw/zinc/76/51/16/382765116.db2.gz UTTWIYRSSMYZCC-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1ccc(C(=O)OC)c(OC(F)(F)F)c1C#N ZINC000575388735 382765169 /nfs/dbraw/zinc/76/51/69/382765169.db2.gz BAHVRQDRMVJYAO-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(C#N)c(C(=O)OC)c(OC(F)(F)F)c1 ZINC000575388748 382765297 /nfs/dbraw/zinc/76/52/97/382765297.db2.gz BWNPOMYGSZZHDP-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1ccc(C(=O)OC)c(C#N)c1OC(F)(F)F ZINC000575389112 382765366 /nfs/dbraw/zinc/76/53/66/382765366.db2.gz YRYBLAFAORLNEX-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(F)cc1C(F)F ZINC000575389352 382765431 /nfs/dbraw/zinc/76/54/31/382765431.db2.gz BECUTTLGCSOFDI-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1cc(CC(=O)OC)c(C#N)c(C(F)F)c1 ZINC000575389783 382766143 /nfs/dbraw/zinc/76/61/43/382766143.db2.gz RXNIHNBOTGPSQD-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(F)c(C(F)F)c1 ZINC000575389786 382766158 /nfs/dbraw/zinc/76/61/58/382766158.db2.gz SANJYBNXMDFKKZ-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN COC(=O)c1c(C=O)cc(C#N)cc1SC(F)(F)F ZINC000575390879 382766408 /nfs/dbraw/zinc/76/64/08/382766408.db2.gz AFRMURAIAUVWCQ-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1c(C#N)c(C=O)ccc1SC(F)(F)F ZINC000575391817 382766682 /nfs/dbraw/zinc/76/66/82/382766682.db2.gz WQYWBUBKONIEIF-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(C#N)cc(SC(F)(F)F)c1C=O ZINC000575391522 382766833 /nfs/dbraw/zinc/76/68/33/382766833.db2.gz PKQWCJOHADFDKX-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)Cc1c(C#N)c(O)ccc1SC(F)(F)F ZINC000575391995 382767119 /nfs/dbraw/zinc/76/71/19/382767119.db2.gz KFJIWIPCEKYYBL-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)Cc1cc(C#N)c(SC(F)(F)F)cc1O ZINC000575391989 382767147 /nfs/dbraw/zinc/76/71/47/382767147.db2.gz JVYVQMFVAHNWGA-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1cc(C#N)cc(OC)c1SC(F)(F)F ZINC000575394118 382767820 /nfs/dbraw/zinc/76/78/20/382767820.db2.gz COCACGPNWNRAKE-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1c(OC)ccc(OC(F)(F)F)c1C#N ZINC000575394344 382768267 /nfs/dbraw/zinc/76/82/67/382768267.db2.gz IMYYOFRLCPVNEQ-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)c1cc(OC)c(SC(F)(F)F)cc1C#N ZINC000575394571 382768292 /nfs/dbraw/zinc/76/82/92/382768292.db2.gz KCIHQCZITNSWPU-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1c(OC)ccc(C#N)c1C(F)(F)F ZINC000575395128 382768443 /nfs/dbraw/zinc/76/84/43/382768443.db2.gz XKKGGTZCAWDOKL-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)c(C)cc1C#N ZINC000575395052 382768493 /nfs/dbraw/zinc/76/84/93/382768493.db2.gz WQRLPTJLJOZSCI-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN COC(=O)c1cc(OC(F)(F)F)c(C)cc1C#N ZINC000575394986 382768627 /nfs/dbraw/zinc/76/86/27/382768627.db2.gz QZRGBHCCLIXDGB-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1C ZINC000575395315 382768782 /nfs/dbraw/zinc/76/87/82/382768782.db2.gz XTDJXUYCVORMGO-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)Cc1c(C)c(C(F)(F)F)ccc1C#N ZINC000575395297 382768852 /nfs/dbraw/zinc/76/88/52/382768852.db2.gz WYYYCYVPOWRVOB-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)c(OC(F)(F)F)c1 ZINC000575395217 382768955 /nfs/dbraw/zinc/76/89/55/382768955.db2.gz SMYKJUPCRGNCSZ-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN N#CCc1c(OC(F)F)ccnc1C(F)(F)F ZINC000575396931 382769278 /nfs/dbraw/zinc/76/92/78/382769278.db2.gz TVCAXGLTBKOQQN-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN C[C@]12C[C@H](O)[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@H]1CCC2=O ZINC000575418064 382770154 /nfs/dbraw/zinc/77/01/54/382770154.db2.gz VDCOSJPGDDQNJH-QLQUWJGCSA-N 0 0 288.387 2.668 10 30 CFEERN C=C(c1ccc(Br)nn1)C(F)(F)F ZINC000575455979 382772314 /nfs/dbraw/zinc/77/23/14/382772314.db2.gz BDKXIBXAJKANRZ-UHFFFAOYSA-N 0 0 253.021 2.815 10 30 CFEERN CC(C)C(=O)OCCN(CCC#N)c1ccccc1 ZINC000199908630 382772428 /nfs/dbraw/zinc/77/24/28/382772428.db2.gz BMJLSKPRLLQSPM-UHFFFAOYSA-N 0 0 260.337 2.606 10 30 CFEERN C[C@@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575496115 382772997 /nfs/dbraw/zinc/77/29/97/382772997.db2.gz DTCUOYATRVHJCZ-BXKDBHETSA-N 0 0 256.371 2.689 10 30 CFEERN C#CCCNc1ccc(I)cc1F ZINC000575492329 382773136 /nfs/dbraw/zinc/77/31/36/382773136.db2.gz BRQWFAZVEMMDGZ-UHFFFAOYSA-N 0 0 289.091 2.866 10 30 CFEERN CCOc1cc(CC#N)cc(OC(F)F)c1C#N ZINC000575638612 382776412 /nfs/dbraw/zinc/77/64/12/382776412.db2.gz JYVVTVCLAYMWSK-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(C#N)ccc(OC(F)F)c1CC#N ZINC000575640169 382776930 /nfs/dbraw/zinc/77/69/30/382776930.db2.gz WAKLWTBYSNMBON-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(C=O)cc(CC#N)cc1OC(F)F ZINC000575655694 382779316 /nfs/dbraw/zinc/77/93/16/382779316.db2.gz HENWRWYDEDAMEZ-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1ccc(OC)c(OC(F)F)c1CC#N ZINC000575655825 382779331 /nfs/dbraw/zinc/77/93/31/382779331.db2.gz BMNRPWFCCVXUTC-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1cc(OC)c(CC#N)c(OC(F)F)c1 ZINC000575656161 382779580 /nfs/dbraw/zinc/77/95/80/382779580.db2.gz GFTHDKHBZAWUFC-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1cc(I)c(Cl)cc1N ZINC000575715579 382794858 /nfs/dbraw/zinc/79/48/58/382794858.db2.gz KLVTYXCUZJHPGS-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1c(OC(F)F)cc(O)cc1OC(F)(F)F ZINC000575661738 382781450 /nfs/dbraw/zinc/78/14/50/382781450.db2.gz KPLLRNAVQILWKU-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1ccc(OC(F)F)c(O)c1OC(F)(F)F ZINC000575661530 382781742 /nfs/dbraw/zinc/78/17/42/382781742.db2.gz IBPWVKWOGPPGRM-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1cc(O)c(C(F)(F)F)cc1OC(F)F ZINC000575662334 382782079 /nfs/dbraw/zinc/78/20/79/382782079.db2.gz XDIQFGSZGCUFGF-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1cc(Cl)c(I)cc1N ZINC000575715439 382794969 /nfs/dbraw/zinc/79/49/69/382794969.db2.gz DPWJEQMERDIEBI-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc(OC(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575667214 382782825 /nfs/dbraw/zinc/78/28/25/382782825.db2.gz LBSYQQTZMKHLSO-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1ccc(C#N)c(F)c1I ZINC000575670306 382783491 /nfs/dbraw/zinc/78/34/91/382783491.db2.gz JBIDDDLXXCLBGI-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(I)c(F)c(C#N)c1 ZINC000575670581 382783520 /nfs/dbraw/zinc/78/35/20/382783520.db2.gz NONWWZZCSRMQMC-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOC(=O)c1c(C#N)cc(OC(F)F)cc1OCC ZINC000575669984 382783543 /nfs/dbraw/zinc/78/35/43/382783543.db2.gz BAQPVOZCEMNXCM-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(OCC)cc1OC(F)F ZINC000575670376 382783612 /nfs/dbraw/zinc/78/36/12/382783612.db2.gz GONYWFNDWSVBKN-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN N#Cc1cc(Cl)c([N+](=O)[O-])cc1Br ZINC000575677075 382784606 /nfs/dbraw/zinc/78/46/06/382784606.db2.gz GHFXWJRYXYODEJ-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1c(O)ccc(OC(F)F)c1Br ZINC000575681996 382786147 /nfs/dbraw/zinc/78/61/47/382786147.db2.gz JTEJCLFYSNADIY-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN CCc1cc(N)cc(I)c1CC#N ZINC000575717896 382795245 /nfs/dbraw/zinc/79/52/45/382795245.db2.gz LDAYAHGNKYGDBF-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1ccc(N)c(C(F)(F)F)c1OC(F)F ZINC000575716867 382795247 /nfs/dbraw/zinc/79/52/47/382795247.db2.gz HMOMVICOUFYJAU-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCc1cc(I)cc(CC#N)c1N ZINC000575716994 382795253 /nfs/dbraw/zinc/79/52/53/382795253.db2.gz AGMLZCQQIBCSNS-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#Cc1ccc([N+](=O)[O-])c(OC(F)F)c1Br ZINC000575683725 382787102 /nfs/dbraw/zinc/78/71/02/382787102.db2.gz AZDPOPREZOINCZ-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1c(Br)c([N+](=O)[O-])ccc1OC(F)F ZINC000575683727 382787139 /nfs/dbraw/zinc/78/71/39/382787139.db2.gz BDHPRVULGGCCAH-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1c(OC(F)F)ccc(N)c1OC(F)(F)F ZINC000575717730 382795280 /nfs/dbraw/zinc/79/52/80/382795280.db2.gz SEVLEPYWKHHYCI-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1c(OC(F)F)ccc(Br)c1[N+](=O)[O-] ZINC000575688260 382788516 /nfs/dbraw/zinc/78/85/16/382788516.db2.gz WFTQVPBZRNVSIV-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN Cc1cc([N+](=O)[O-])c(Br)cc1CC#N ZINC000218134036 382789347 /nfs/dbraw/zinc/78/93/47/382789347.db2.gz HZBPPBGRFPSAKS-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN COC(=O)c1cc(Cl)c(OC(F)F)c(C#N)c1 ZINC000575342971 382759313 /nfs/dbraw/zinc/75/93/13/382759313.db2.gz CHUCPQUICFTQJX-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN N#Cc1cc(C(N)=O)cc(C(F)(F)F)c1C(F)(F)F ZINC000575340971 382759391 /nfs/dbraw/zinc/75/93/91/382759391.db2.gz HVZYGCORZFCNLG-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN NC(=O)c1cc(F)c(C(F)(F)F)cc1C(F)(F)F ZINC000575339900 382759483 /nfs/dbraw/zinc/75/94/83/382759483.db2.gz WMJIEPODMWXLOT-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C(F)F)c1OC ZINC000575343602 382759704 /nfs/dbraw/zinc/75/97/04/382759704.db2.gz PLZKLUJHHZLJQB-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)c(C#N)cc1Cl ZINC000575343009 382759775 /nfs/dbraw/zinc/75/97/75/382759775.db2.gz ODJODQZYXLQJTH-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1OC ZINC000575343669 382759963 /nfs/dbraw/zinc/75/99/63/382759963.db2.gz YQAQGZRTPHKBTM-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)c(OC)c1 ZINC000575343672 382760071 /nfs/dbraw/zinc/76/00/71/382760071.db2.gz ZISLISWNKBWSOE-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(C)cc(C(F)F)cc1C#N ZINC000575343768 382760093 /nfs/dbraw/zinc/76/00/93/382760093.db2.gz HPGZFCORIYHUES-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1c(C)ccc(C(F)F)c1C#N ZINC000575343948 382760104 /nfs/dbraw/zinc/76/01/04/382760104.db2.gz KOQYMXZMJWKDOX-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(F)c1C(F)(F)F ZINC000575345081 382760270 /nfs/dbraw/zinc/76/02/70/382760270.db2.gz VPJURPKOQJFQRE-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C#N)ccc1OC(F)(F)F ZINC000575344906 382760274 /nfs/dbraw/zinc/76/02/74/382760274.db2.gz IBFQBXGROAKXNO-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN CCOC(=O)Cc1c(F)c(C#N)ccc1C(F)(F)F ZINC000575345042 382760344 /nfs/dbraw/zinc/76/03/44/382760344.db2.gz QWOXZGKISMYGCM-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN N#Cc1cc(N2CCCC[C@H]2c2nccs2)ncn1 ZINC000575912130 382803721 /nfs/dbraw/zinc/80/37/21/382803721.db2.gz HEROGYBGUCBARA-NSHDSACASA-N 0 0 271.349 2.536 10 30 CFEERN C=CCOC(=O)c1cc(NC)ccc1N1CCCC1 ZINC000226278482 382825855 /nfs/dbraw/zinc/82/58/55/382825855.db2.gz YPAGJANLWSIXAE-UHFFFAOYSA-N 0 0 260.337 2.671 10 30 CFEERN CCN(CC)c1ccc(NC(=O)C(F)(F)F)cc1C#N ZINC000226280176 382826114 /nfs/dbraw/zinc/82/61/14/382826114.db2.gz KRDQMOFFWQBAQX-UHFFFAOYSA-N 0 0 285.269 2.905 10 30 CFEERN N#Cc1cn(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc12 ZINC000226361975 382827229 /nfs/dbraw/zinc/82/72/29/382827229.db2.gz JZALBIKTNNEGKI-UHFFFAOYSA-N 0 0 281.227 2.703 10 30 CFEERN Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)c(C#N)c(C)n1 ZINC000227593919 382838076 /nfs/dbraw/zinc/83/80/76/382838076.db2.gz WWUKTEQUMSXYLK-CHWSQXEVSA-N 0 0 259.353 2.533 10 30 CFEERN Cc1cc(NC[C@H](O)c2ccsc2)c(C#N)c(C)n1 ZINC000227593886 382838163 /nfs/dbraw/zinc/83/81/63/382838163.db2.gz XYQBRWORGUXLOM-AWEZNQCLSA-N 0 0 273.361 2.777 10 30 CFEERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000227760253 382840727 /nfs/dbraw/zinc/84/07/27/382840727.db2.gz CYPXJKKXYMVYMR-YPMHNXCESA-N 0 0 275.308 2.836 10 30 CFEERN N#CC#Cc1ccc(I)c(Cl)c1 ZINC000232386680 382868903 /nfs/dbraw/zinc/86/89/03/382868903.db2.gz LYGFAAGMVBVAQP-UHFFFAOYSA-N 0 0 287.487 2.820 10 30 CFEERN CCCC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000233053636 382870730 /nfs/dbraw/zinc/87/07/30/382870730.db2.gz MKTZFMWCFUPGON-UHFFFAOYSA-N 0 0 260.297 2.854 10 30 CFEERN N#Cc1sc(NC[C@H]2CCCC[C@H]2O)nc1Cl ZINC000236521195 382895151 /nfs/dbraw/zinc/89/51/51/382895151.db2.gz LOAHIYHMFMAGEC-HTQZYQBOSA-N 0 0 271.773 2.631 10 30 CFEERN Cc1cc(C)c(OC(C)(C)C(=O)NO)c(Cl)c1 ZINC000226290837 291818611 /nfs/dbraw/zinc/81/86/11/291818611.db2.gz LUKFREKUSCWWTB-UHFFFAOYSA-N 0 0 257.717 2.620 10 30 CFEERN CCc1nccn1[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000247182870 383150430 /nfs/dbraw/zinc/15/04/30/383150430.db2.gz NTGOABVZYHBNKW-CABCVRRESA-N 0 0 285.395 2.526 10 30 CFEERN Cc1ccc(C=NOC(=O)c2nn(C)cc2Cl)cc1 ZINC000254612485 383469600 /nfs/dbraw/zinc/46/96/00/383469600.db2.gz JHDGRKYNHUDGQA-UHFFFAOYSA-N 0 0 277.711 2.573 10 30 CFEERN Fc1ccc(NC(=S)NN=Cc2cccnc2)c(F)c1 ZINC000254793695 383471323 /nfs/dbraw/zinc/47/13/23/383471323.db2.gz VJGYMNBJGSCPTA-UHFFFAOYSA-N 0 0 292.314 2.680 10 30 CFEERN Cc1cc(N2C[C@@H](C)S[C@H](C)C2)c(C#N)c(C)n1 ZINC000157441824 291942977 /nfs/dbraw/zinc/94/29/77/291942977.db2.gz SLRJTRMJZGKNHU-GHMZBOCLSA-N 0 0 261.394 2.900 10 30 CFEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000116934103 260008090 /nfs/dbraw/zinc/00/80/90/260008090.db2.gz FIXWZWWUERYOPK-NWDGAFQWSA-N 0 0 290.363 2.783 10 30 CFEERN CCOC(=O)c1ccc2ncc(C#N)c(Cl)c2c1 ZINC000146857143 256700817 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ZINC000037302708 173108185 /nfs/dbraw/zinc/10/81/85/173108185.db2.gz ZTIVNQZATLFCIM-UHFFFAOYSA-N 0 0 263.247 2.923 10 30 CFEERN C#Cc1cccc(NCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000037302648 173108400 /nfs/dbraw/zinc/10/84/00/173108400.db2.gz UMFRDPLGFUGENE-UHFFFAOYSA-N 0 0 275.311 2.517 10 30 CFEERN COc1ccc([C@@H](C#N)C(=O)c2ccncc2)cc1 ZINC000037345950 173143422 /nfs/dbraw/zinc/14/34/22/173143422.db2.gz DRRXAFGVVNHXOU-CQSZACIVSA-N 0 0 252.273 2.580 10 30 CFEERN CCC1N=NC(=S)N1c1ccc(C#N)c(Cl)c1 ZINC000037393508 173173621 /nfs/dbraw/zinc/17/36/21/173173621.db2.gz JJYAEOPPUQZMPE-UHFFFAOYSA-N 0 0 264.741 2.643 10 30 CFEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)N1CCCC1 ZINC000037393432 173173893 /nfs/dbraw/zinc/17/38/93/173173893.db2.gz GRADMFYIMKBPJU-JTQLQIEISA-N 0 0 277.755 2.634 10 30 CFEERN N#C[C@H](NC[C@H]1CCCO1)c1c(F)cccc1Cl ZINC000037940119 173879404 /nfs/dbraw/zinc/87/94/04/173879404.db2.gz UQWWVBPDXQCQDT-SKDRFNHKSA-N 0 0 268.719 2.812 10 30 CFEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000659803437 414563887 /nfs/dbraw/zinc/56/38/87/414563887.db2.gz HCZGTCRGDABDCH-KBPBESRZSA-N 0 0 251.370 2.918 10 30 CFEERN N#Cc1ccc(CN2CCc3c(N)cccc3C2)c(F)c1 ZINC000038032796 174030187 /nfs/dbraw/zinc/03/01/87/174030187.db2.gz ZDNLAYOTEFHFKH-UHFFFAOYSA-N 0 0 281.334 2.838 10 30 CFEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)n1cc(Cl)cn1 ZINC000038053478 174065008 /nfs/dbraw/zinc/06/50/08/174065008.db2.gz CSEHYDSLXGHDHD-VIFPVBQESA-N 0 0 274.711 2.608 10 30 CFEERN C=CCOc1cc2[nH]c(=O)cc(COC)c2cc1C ZINC000038285206 174138820 /nfs/dbraw/zinc/13/88/20/174138820.db2.gz QFKIPFWUVOQXNS-UHFFFAOYSA-N 0 0 259.305 2.548 10 30 CFEERN CC(C)Nc1nccc(C#Cc2ccc(F)cc2)n1 ZINC000038880247 174158990 /nfs/dbraw/zinc/15/89/90/174158990.db2.gz HFHCFXVZJMUUIF-UHFFFAOYSA-N 0 0 255.296 2.836 10 30 CFEERN C=CCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O ZINC000039643770 174171554 /nfs/dbraw/zinc/17/15/54/174171554.db2.gz GMKZLERIMFHMJX-XFXZXTDPSA-N 0 0 275.329 2.918 10 30 CFEERN COc1ccc2c(c1)c(OCC#N)nn2Cc1ccccc1 ZINC000039927985 174175247 /nfs/dbraw/zinc/17/52/47/174175247.db2.gz UOOQAHNCMXQILL-UHFFFAOYSA-N 0 0 293.326 2.996 10 30 CFEERN C=C(C)C(=O)NCCCCCc1nc2ccccc2n1C ZINC000040219725 174206871 /nfs/dbraw/zinc/20/68/71/174206871.db2.gz JHSWTJMFKHXSOK-UHFFFAOYSA-N 0 0 285.391 2.978 10 30 CFEERN C#CCn1c(CNC(=O)c2ccccc2)nc2ccccc21 ZINC000040275627 174218773 /nfs/dbraw/zinc/21/87/73/174218773.db2.gz MYHZLNVNXXZFLY-UHFFFAOYSA-N 0 0 289.338 2.600 10 30 CFEERN C=C(C)CN(CC)C(=O)c1cc(N)ccc1Cl ZINC000040309021 174229684 /nfs/dbraw/zinc/22/96/84/174229684.db2.gz VMPFTLSMEIDIGC-UHFFFAOYSA-N 0 0 252.745 2.960 10 30 CFEERN Cc1cc(C(=O)Nc2sccc2C#N)ccc1N ZINC000040310604 174230212 /nfs/dbraw/zinc/23/02/12/174230212.db2.gz RERTWZWJPMROIA-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN C=CCNc1ncnc(N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000040572727 174339453 /nfs/dbraw/zinc/33/94/53/174339453.db2.gz ZSFNTRAVYCNMBO-UHFFFAOYSA-N 0 0 299.334 2.619 10 30 CFEERN C=CCNc1ncnc(Nc2ccc(CC)cc2)c1N ZINC000040688407 174375838 /nfs/dbraw/zinc/37/58/38/174375838.db2.gz XDAVZLOLMYUWKU-UHFFFAOYSA-N 0 0 269.352 2.963 10 30 CFEERN Cc1nn([C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C ZINC000040729957 174388218 /nfs/dbraw/zinc/38/82/18/174388218.db2.gz QQPDGGHKQBQSSN-ZDUSSCGKSA-N 0 0 282.347 2.880 10 30 CFEERN Cc1nn(CCC(=O)Nc2ccccc2C#N)c(C)c1C ZINC000040729969 174388281 /nfs/dbraw/zinc/38/82/81/174388281.db2.gz OIKFDTSPUZZGBT-UHFFFAOYSA-N 0 0 282.347 2.709 10 30 CFEERN Cc1nn(CCOc2ccc(CC#N)cc2)c(C)c1C ZINC000040730115 174388423 /nfs/dbraw/zinc/38/84/23/174388423.db2.gz FLVJQTFJOHACHT-UHFFFAOYSA-N 0 0 269.348 2.953 10 30 CFEERN O=C(CS)Cc1c[nH]c2ccc(Br)cc12 ZINC000040753772 174396085 /nfs/dbraw/zinc/39/60/85/174396085.db2.gz ADMHKTPSKNRFQM-UHFFFAOYSA-N 0 0 284.178 2.972 10 30 CFEERN CCCc1cc(NCc2ccc(C#N)cc2)ncn1 ZINC000040765679 174397589 /nfs/dbraw/zinc/39/75/89/174397589.db2.gz UQFMULNTZSICCG-UHFFFAOYSA-N 0 0 252.321 2.913 10 30 CFEERN N#CCCN(Cc1ccc(N)cc1Br)C1CC1 ZINC000042531010 174781341 /nfs/dbraw/zinc/78/13/41/174781341.db2.gz NCDKPNSVMDYEQO-UHFFFAOYSA-N 0 0 294.196 2.909 10 30 CFEERN CCCCN(c1ncccc1/C(N)=N/O)[C@@H](C)CC ZINC000042607733 174820754 /nfs/dbraw/zinc/82/07/54/174820754.db2.gz HJMMNHSWRVAJRE-NSHDSACASA-N 0 0 264.373 2.581 10 30 CFEERN CC(C)C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC000043434185 175044485 /nfs/dbraw/zinc/04/44/85/175044485.db2.gz GLABAMFRFDYQMI-RISCZKNCSA-N 0 0 260.337 2.708 10 30 CFEERN CC(C)C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC000043434187 175044658 /nfs/dbraw/zinc/04/46/58/175044658.db2.gz GLABAMFRFDYQMI-BXUZGUMPSA-N 0 0 260.337 2.708 10 30 CFEERN C[C@@H](C#N)NCc1cc(F)ccc1Br ZINC000043515131 175061702 /nfs/dbraw/zinc/06/17/02/175061702.db2.gz BVXRCHZPLLZVRI-ZETCQYMHSA-N 0 0 257.106 2.590 10 30 CFEERN CC[C@@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2O ZINC000043543108 175064369 /nfs/dbraw/zinc/06/43/69/175064369.db2.gz LGKJPOOXAFQBQD-GXFFZTMASA-N 0 0 261.321 2.962 10 30 CFEERN CN(C(=O)c1ccc(C#CCCO)c(F)c1)C1CCCC1 ZINC000043582119 175069721 /nfs/dbraw/zinc/06/97/21/175069721.db2.gz GXGOPDMQBFFYGJ-UHFFFAOYSA-N 0 0 289.350 2.574 10 30 CFEERN CC[C@H]1CCCN1C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582198 175069909 /nfs/dbraw/zinc/06/99/09/175069909.db2.gz KHYIXPZTJBYRHX-HNNXBMFYSA-N 0 0 289.350 2.574 10 30 CFEERN CN(Cc1ccc(C#CCCO)s1)Cc1ccncc1 ZINC000043677889 175089211 /nfs/dbraw/zinc/08/92/11/175089211.db2.gz LUBLYNHAKBMAOH-UHFFFAOYSA-N 0 0 286.400 2.509 10 30 CFEERN OCCC#Cc1ccsc1Cn1cnc2ccccc21 ZINC000043682287 175091167 /nfs/dbraw/zinc/09/11/67/175091167.db2.gz AYLLXYALWRGTGZ-UHFFFAOYSA-N 0 0 282.368 2.880 10 30 CFEERN COc1cc(C)ccc1OCc1cc(C#CCO)cs1 ZINC000043699177 175096546 /nfs/dbraw/zinc/09/65/46/175096546.db2.gz AFXUKYMQAFTKPN-UHFFFAOYSA-N 0 0 288.368 2.988 10 30 CFEERN CC(C)c1nccn1Cc1cc(C#CCCO)cs1 ZINC000043698874 175096579 /nfs/dbraw/zinc/09/65/79/175096579.db2.gz HCHSLJYSRCEVDS-UHFFFAOYSA-N 0 0 274.389 2.850 10 30 CFEERN COc1cc(OC)c(-c2cc(N)c(C#N)s2)cc1OC ZINC000044273452 175158856 /nfs/dbraw/zinc/15/88/56/175158856.db2.gz WALONHLRMCNCBW-UHFFFAOYSA-N 0 0 290.344 2.895 10 30 CFEERN C=C[C@H](O)C#CC#C/C=C\[C@H](O)CCCCCCC ZINC000044387250 175170284 /nfs/dbraw/zinc/17/02/84/175170284.db2.gz DSVMWGREWREVQQ-IDDMRKIPSA-N 0 0 260.377 2.818 10 30 endogenous,in-man CFEERN O=C(NCc1ccc(C#CCO)cc1)c1ccccc1Cl ZINC000044389509 175170543 /nfs/dbraw/zinc/17/05/43/175170543.db2.gz YXCWGYBTGAVZBH-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN Cc1nc(CN(C)c2nc(C)ccc2C#N)cs1 ZINC000044609845 175216558 /nfs/dbraw/zinc/21/65/58/175216558.db2.gz FSONCNHMIZNCHN-UHFFFAOYSA-N 0 0 258.350 2.663 10 30 CFEERN Cc1cc(N)ccc1C(=O)Nc1cccc(C#N)c1 ZINC000044748074 175243548 /nfs/dbraw/zinc/24/35/48/175243548.db2.gz LBJIBUYOUMQKSI-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN Cc1cc(N)ccc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000044748710 175243866 /nfs/dbraw/zinc/24/38/66/175243866.db2.gz JYNRNFLZAZEWKL-UHFFFAOYSA-N 0 0 279.343 2.721 10 30 CFEERN N#C[C@@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044808941 175257341 /nfs/dbraw/zinc/25/73/41/175257341.db2.gz WPRFKENYXOHYBS-OAHLLOKOSA-N 0 0 256.349 2.771 10 30 CFEERN CN(CC#N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000045049556 175297715 /nfs/dbraw/zinc/29/77/15/175297715.db2.gz QKGBWEWRSMFPHK-UHFFFAOYSA-N 0 0 258.108 2.981 10 30 CFEERN C=CCOc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000045052949 175298193 /nfs/dbraw/zinc/29/81/93/175298193.db2.gz QYVCJUMFDMSHAY-CHWSQXEVSA-N 0 0 275.348 2.501 10 30 CFEERN N#Cc1cc(N)cnc1N1CCC[C@@H]1C1CCCC1 ZINC000045071399 175301577 /nfs/dbraw/zinc/30/15/77/175301577.db2.gz QSXVAOJQMOVUKE-CQSZACIVSA-N 0 0 256.353 2.694 10 30 CFEERN CN(CC(C)(C)C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000045091808 175305683 /nfs/dbraw/zinc/30/56/83/175305683.db2.gz BVNYQULBJMDTRG-UHFFFAOYSA-N 0 0 291.366 2.678 10 30 CFEERN N#Cc1c(F)cccc1OCc1ccc(C#CCO)cc1 ZINC000049621941 175495320 /nfs/dbraw/zinc/49/53/20/175495320.db2.gz VLIDKDYSNGHBEK-UHFFFAOYSA-N 0 0 281.286 2.620 10 30 CFEERN COc1ccc(CO[C@H](C)CC(C)C)cc1C#CCO ZINC000049621214 175495372 /nfs/dbraw/zinc/49/53/72/175495372.db2.gz KDPPXLHOXFCOSI-CQSZACIVSA-N 0 0 276.376 2.990 10 30 CFEERN COCCN(CCC#N)c1ccc([C@H](C)O)cc1Cl ZINC000071226719 176090365 /nfs/dbraw/zinc/09/03/65/176090365.db2.gz ZPTZGZGAIVRXDK-NSHDSACASA-N 0 0 282.771 2.760 10 30 CFEERN N/C(=N/O)c1cc(F)ccc1CSc1nccs1 ZINC000071267482 176101050 /nfs/dbraw/zinc/10/10/50/176101050.db2.gz FYORIVUALVDCTQ-UHFFFAOYSA-N 0 0 283.353 2.669 10 30 CFEERN N#C[C@H](Cc1ccccc1)NCCc1ccccc1 ZINC000071572603 176198686 /nfs/dbraw/zinc/19/86/86/176198686.db2.gz PVCXGPUBLPEHFO-KRWDZBQOSA-N 0 0 250.345 2.954 10 30 CFEERN Cc1cc2cccnc2c(NC(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000329071103 227282206 /nfs/dbraw/zinc/28/22/06/227282206.db2.gz NPYASNZQLKNSLL-OKILXGFUSA-N 0 0 297.358 2.952 10 30 CFEERN Cc1nnc([C@H](C)NC(=O)[C@@H]2OCC[C@@H]2C(C)C)s1 ZINC000329506982 227560945 /nfs/dbraw/zinc/56/09/45/227560945.db2.gz LQNHKWQLHUXLGZ-JMJZKYOTSA-N 0 0 283.397 2.925 10 30 CFEERN Cc1cc(N(C)CCC#N)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301611522 227610974 /nfs/dbraw/zinc/61/09/74/227610974.db2.gz RNMQQZVBWIVHGC-UHFFFAOYSA-N 0 0 297.318 2.710 10 30 CFEERN CCn1nc(NC(=O)N[C@H](C)CC2CC2)cc1C1CC1 ZINC000330237274 228075648 /nfs/dbraw/zinc/07/56/48/228075648.db2.gz HOFCNDZKPAKVGC-SNVBAGLBSA-N 0 0 276.384 2.717 10 30 CFEERN CC(C)(C#N)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000070139489 260152266 /nfs/dbraw/zinc/15/22/66/260152266.db2.gz UYLOHVLZIKTZJD-UHFFFAOYSA-N 0 0 295.789 2.899 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1sccc1Br ZINC000069052018 260233825 /nfs/dbraw/zinc/23/38/25/260233825.db2.gz ICSGJHNEIFADBG-VXNVDRBHSA-N 0 0 299.193 2.933 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1sccc1Br ZINC000069052019 260234001 /nfs/dbraw/zinc/23/40/01/260234001.db2.gz ICSGJHNEIFADBG-APPZFPTMSA-N 0 0 299.193 2.933 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000093655742 260298193 /nfs/dbraw/zinc/29/81/93/260298193.db2.gz FRWVHCCVDDJXHF-QPUJVOFHSA-N 0 0 293.710 2.670 10 30 CFEERN COc1ccc([C@H](C)C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000107593689 260637436 /nfs/dbraw/zinc/63/74/36/260637436.db2.gz NXRLDGGBUDENOJ-RYUDHWBXSA-N 0 0 260.337 2.559 10 30 CFEERN C[C@H](NC(=O)CC#N)c1ccccc1Br ZINC000153483662 261078853 /nfs/dbraw/zinc/07/88/53/261078853.db2.gz VYHHNQYHGFSUGX-QMMMGPOBSA-N 0 0 267.126 2.540 10 30 CFEERN C=CCOc1ccc(C(=O)N2CCC[C@H]2CCCO)cc1 ZINC000052759274 261126300 /nfs/dbraw/zinc/12/63/00/261126300.db2.gz QLAOINWBCYYZKN-HNNXBMFYSA-N 0 0 289.375 2.629 10 30 CFEERN C=C(C)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141471 261322757 /nfs/dbraw/zinc/32/27/57/261322757.db2.gz UZQKRVTYTVNQTJ-UHFFFAOYSA-N 0 0 296.418 2.566 10 30 CFEERN C=CC[C@@H](CO)Nc1ccc(Br)cc1C#N ZINC000302164544 261349785 /nfs/dbraw/zinc/34/97/85/261349785.db2.gz ZMBJMHDMVTXLHJ-NSHDSACASA-N 0 0 281.153 2.670 10 30 CFEERN CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1(C#N)CCC1 ZINC000109121098 262154795 /nfs/dbraw/zinc/15/47/95/262154795.db2.gz FNTHEYNNOIHBFV-NWDGAFQWSA-N 0 0 290.313 2.973 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccccc12 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Cc1cccc(CN(C)Cc2cccnc2C#N)c1 ZINC000061664369 524374785 /nfs/dbraw/zinc/37/47/85/524374785.db2.gz RGEXWWHCEGOJCT-UHFFFAOYSA-N 0 0 251.333 2.894 10 30 CFEERN COc1ccc(NCc2cccnc2C#N)cc1C ZINC000061658366 524681657 /nfs/dbraw/zinc/68/16/57/524681657.db2.gz NCGKQYZAZSIRFW-UHFFFAOYSA-N 0 0 253.305 2.882 10 30 CFEERN Cc1cccc(OCc2ccccc2C#CCO)c1 ZINC000049620324 524765199 /nfs/dbraw/zinc/76/51/99/524765199.db2.gz PDGYZZYTCLXIGC-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN Cc1ccc(N(C)c2ncc(N)cc2C#N)c(C)c1 ZINC000049979487 524889948 /nfs/dbraw/zinc/88/99/48/524889948.db2.gz COKVVTLOXHUIKE-UHFFFAOYSA-N 0 0 252.321 2.920 10 30 CFEERN COc1nc(Nc2cc(C#N)ccc2C)ccc1N ZINC000050429445 524988289 /nfs/dbraw/zinc/98/82/89/524988289.db2.gz OGYRECSYFUAROE-UHFFFAOYSA-N 0 0 254.293 2.596 10 30 CFEERN C[C@@H](NC(=O)CC(C)(C)C)c1cccc(C#CCO)c1 ZINC000049588976 525075595 /nfs/dbraw/zinc/07/55/95/525075595.db2.gz WVRAHXMCDHENCZ-CYBMUJFWSA-N 0 0 273.376 2.644 10 30 CFEERN C[C@@H](NC(=O)NC(C)(C)C)c1ccc(C#CCCO)cc1 ZINC000049589859 525186588 /nfs/dbraw/zinc/18/65/88/525186588.db2.gz SEBIXVWSJUZJPY-CYBMUJFWSA-N 0 0 288.391 2.579 10 30 CFEERN C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(C#CCCO)s1 ZINC000051751018 525201016 /nfs/dbraw/zinc/20/10/16/525201016.db2.gz VRAZFOJJJFQGHP-QWHCGFSZSA-N 0 0 291.416 2.743 10 30 CFEERN C[C@@H]1C[C@@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691738 525306490 /nfs/dbraw/zinc/30/64/90/525306490.db2.gz HBZDTAPBRRTCBO-PWSUYJOCSA-N 0 0 277.751 2.668 10 30 CFEERN Cc1cc(SCc2ccc(F)c(C#CCO)c2)n(C)n1 ZINC000052311637 525437282 /nfs/dbraw/zinc/43/72/82/525437282.db2.gz PEVNFHQBEAEZCY-UHFFFAOYSA-N 0 0 290.363 2.504 10 30 CFEERN Cc1c(C)n(-c2cc(C#N)ccc2C)c2ncnc(N)c12 ZINC000050436491 525676109 /nfs/dbraw/zinc/67/61/09/525676109.db2.gz HTFPENLDSAOAJX-UHFFFAOYSA-N 0 0 277.331 2.800 10 30 CFEERN Cc1ccsc1C(=O)N(C)Cc1ccccc1C#CCO ZINC000049588670 525816015 /nfs/dbraw/zinc/81/60/15/525816015.db2.gz XBALTWTZTZRKDE-UHFFFAOYSA-N 0 0 299.395 2.673 10 30 CFEERN Cc1ccsc1C(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000049588551 525825370 /nfs/dbraw/zinc/82/53/70/525825370.db2.gz HUKXQOFDCUSRKK-CYBMUJFWSA-N 0 0 299.395 2.891 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)c2ccccc2C#CCO)s1 ZINC000049189178 525912938 /nfs/dbraw/zinc/91/29/38/525912938.db2.gz SYRGTEJWMWZKPA-ZDUSSCGKSA-N 0 0 299.395 2.891 10 30 CFEERN Cc1ccc(/C(N)=N/O)c(N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000051578839 525941618 /nfs/dbraw/zinc/94/16/18/525941618.db2.gz JNJHZKUJMFFZDE-VXGBXAGGSA-N 0 0 261.369 2.572 10 30 CFEERN SCc1nnc(-c2cccc(Br)c2)o1 ZINC000057965698 526388929 /nfs/dbraw/zinc/38/89/29/526388929.db2.gz FBUMMHOBYKJRNP-UHFFFAOYSA-N 0 0 271.139 2.929 10 30 CFEERN N#CCc1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000049632982 526483975 /nfs/dbraw/zinc/48/39/75/526483975.db2.gz CYSAOIIASPZSAK-UHFFFAOYSA-N 0 0 252.273 2.711 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)c1cccc(Cl)n1 ZINC000051072902 526524945 /nfs/dbraw/zinc/52/49/45/526524945.db2.gz HBCLYFFTFGNUSU-UHFFFAOYSA-N 0 0 275.670 2.998 10 30 CFEERN N#Cc1ccc(-c2ccccc2Br)nc1N ZINC000050871186 526582397 /nfs/dbraw/zinc/58/23/97/526582397.db2.gz UGSGERFFZAXJCO-UHFFFAOYSA-N 0 0 274.121 2.965 10 30 CFEERN C=CCNC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113574735 526583125 /nfs/dbraw/zinc/58/31/25/526583125.db2.gz NZDQTHKKOOGIJJ-NSHDSACASA-N 0 0 279.409 2.781 10 30 CFEERN N#Cc1ccc(NC(=O)COCc2ccccc2F)cc1 ZINC000069284313 526652653 /nfs/dbraw/zinc/65/26/53/526652653.db2.gz RVBAOYSZHGIZTQ-UHFFFAOYSA-N 0 0 284.290 2.853 10 30 CFEERN C#CCC(C)(C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000185700863 526666873 /nfs/dbraw/zinc/66/68/73/526666873.db2.gz AOOPPGFGCDCFFC-CQSZACIVSA-N 0 0 273.376 2.757 10 30 CFEERN N#Cc1ncccc1COc1ccc(C=O)cc1Cl ZINC000061659209 526791488 /nfs/dbraw/zinc/79/14/88/526791488.db2.gz OTXCRQQMPTVREJ-UHFFFAOYSA-N 0 0 272.691 2.998 10 30 CFEERN C=CCO[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000302150659 526820120 /nfs/dbraw/zinc/82/01/20/526820120.db2.gz LUURMNNLJAVXHI-JTQLQIEISA-N 0 0 266.272 2.515 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302166223 526820776 /nfs/dbraw/zinc/82/07/76/526820776.db2.gz OXUKTYVFKJQGTL-GFCCVEGCSA-N 0 0 299.330 2.924 10 30 CFEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1ncc(C)o1 ZINC000330232226 526836192 /nfs/dbraw/zinc/83/61/92/526836192.db2.gz RKMDXWNEYUAWBT-IJLUTSLNSA-N 0 0 264.325 2.982 10 30 CFEERN O=C1CCCCN1c1cc(C#CCCO)ccc1Cl ZINC000061692163 526972233 /nfs/dbraw/zinc/97/22/33/526972233.db2.gz JTWFRARDKOXBKH-UHFFFAOYSA-N 0 0 277.751 2.591 10 30 CFEERN O=CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000054268394 527140292 /nfs/dbraw/zinc/14/02/92/527140292.db2.gz WWXAVCCHUAKZOR-UHFFFAOYSA-N 0 0 268.700 2.664 10 30 CFEERN O=C(Nc1ccccc1)c1ccc(C#CCCO)c(F)c1 ZINC000049840995 527398676 /nfs/dbraw/zinc/39/86/76/527398676.db2.gz HHBDOWZMFNQURC-UHFFFAOYSA-N 0 0 283.302 2.812 10 30 CFEERN OCC#Cc1cc(F)ccc1Cn1ncc2ccccc21 ZINC000050527451 527517372 /nfs/dbraw/zinc/51/73/72/527517372.db2.gz BKSIDLXNWYFSGU-UHFFFAOYSA-N 0 0 280.302 2.568 10 30 CFEERN OCC#Cc1cc(COc2cccc(F)c2)ccc1F ZINC000049620532 527517608 /nfs/dbraw/zinc/51/76/08/527517608.db2.gz HYZGADVTWLSCHR-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCC#Cc1ccccc1OCc1ccc(F)cc1F ZINC000050886294 527521579 /nfs/dbraw/zinc/52/15/79/527521579.db2.gz ACESYXVQNSYBNA-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCCC#Cc1ccccc1Cn1cnc2ccccc21 ZINC000049619126 527531365 /nfs/dbraw/zinc/53/13/65/527531365.db2.gz LCYZSSPLRYYSRR-UHFFFAOYSA-N 0 0 276.339 2.819 10 30 CFEERN OCCC#Cc1cccc(Cn2ncc3ccccc32)c1 ZINC000050527456 527531979 /nfs/dbraw/zinc/53/19/79/527531979.db2.gz YRKHCEQQGICWTE-UHFFFAOYSA-N 0 0 276.339 2.819 10 30 CFEERN CCCCCCCCCCC(=O)N[C@@H]1CCOC1=O ZINC000103679989 528123476 /nfs/dbraw/zinc/12/34/76/528123476.db2.gz YAWJNUREPGJHSG-CYBMUJFWSA-N 0 0 269.385 2.949 10 30 CFEERN CC[C@H](CC#N)N1CCN(c2ccccc2F)CC1 ZINC000037746591 536049361 /nfs/dbraw/zinc/04/93/61/536049361.db2.gz RDNLMSYKMDLJPR-CYBMUJFWSA-N 0 0 261.344 2.640 10 30 CFEERN N#C[C@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC000176063389 617757965 /nfs/dbraw/zinc/75/79/65/617757965.db2.gz MUCJTEDNYHEVKJ-HNNXBMFYSA-N 0 0 255.317 2.563 10 30 CFEERN COc1cccc(C#CCOC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000176149912 617810869 /nfs/dbraw/zinc/81/08/69/617810869.db2.gz PJPIHGVLSULABE-HZPDHXFCSA-N 0 0 270.328 2.636 10 30 CFEERN Cc1nc(C#N)cc(N[C@@H]2CCOc3ccccc32)n1 ZINC000308342598 618205147 /nfs/dbraw/zinc/20/51/47/618205147.db2.gz RUXSIYXOMMFENC-CYBMUJFWSA-N 0 0 266.304 2.592 10 30 CFEERN COC[C@@H](C)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000177750098 618604897 /nfs/dbraw/zinc/60/48/97/618604897.db2.gz UVVLXHVQYAKFLE-NXEZZACHSA-N 0 0 266.366 2.725 10 30 CFEERN C#CCCCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000177836553 618607756 /nfs/dbraw/zinc/60/77/56/618607756.db2.gz VMTMTFFVUAKESK-ZDUSSCGKSA-N 0 0 298.308 2.873 10 30 CFEERN C=CCNC(=O)[C@H]1Cc2ccccc2N2CCCC[C@H]12 ZINC000085899318 620392970 /nfs/dbraw/zinc/39/29/70/620392970.db2.gz ABYBGCYMNXHSEA-GOEBONIOSA-N 0 0 270.376 2.520 10 30 CFEERN C=CCNC(=O)[C@@H]1Cc2ccccc2N2CCCC[C@H]12 ZINC000085899317 620393210 /nfs/dbraw/zinc/39/32/10/620393210.db2.gz ABYBGCYMNXHSEA-GDBMZVCRSA-N 0 0 270.376 2.520 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149526906 622195881 /nfs/dbraw/zinc/19/58/81/622195881.db2.gz VSFHVYSEJOHIEV-KCJUWKMLSA-N 0 0 293.710 2.670 10 30 CFEERN COc1cccc2c1ncc(C#N)c2NC[C@@H]1CCCO1 ZINC000223153711 622980610 /nfs/dbraw/zinc/98/06/10/622980610.db2.gz DCWQWNQVTJCUNH-LBPRGKRZSA-N 0 0 283.331 2.706 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168630151 623098811 /nfs/dbraw/zinc/09/88/11/623098811.db2.gz NEONLKBYEUTYCC-ONGXEEELSA-N 0 0 293.710 2.670 10 30 CFEERN CCc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000228115139 623130952 /nfs/dbraw/zinc/13/09/52/623130952.db2.gz GSKJSQBLZWVQGS-CABZTGNLSA-N 0 0 277.755 2.719 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000061890288 623239850 /nfs/dbraw/zinc/23/98/50/623239850.db2.gz BRNJIJWPKADZDJ-IONNQARKSA-N 0 0 284.146 2.810 10 30 CFEERN C#CCCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000174090142 623386806 /nfs/dbraw/zinc/38/68/06/623386806.db2.gz XOAVPVFPQYSKCR-AWEZNQCLSA-N 0 0 296.374 2.646 10 30 CFEERN C#CCC(C)(C)COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000185352505 625716582 /nfs/dbraw/zinc/71/65/82/625716582.db2.gz FDGOLIKXDXKDDQ-UHFFFAOYSA-N 0 0 297.354 2.594 10 30 CFEERN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246199493 624706302 /nfs/dbraw/zinc/70/63/02/624706302.db2.gz LXXQZYYOJQZTPW-RDBSUJKOSA-N 0 0 274.364 2.587 10 30 CFEERN C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC1 ZINC000180073422 624993476 /nfs/dbraw/zinc/99/34/76/624993476.db2.gz RNCSSJJRYKGVEZ-GXTWGEPZSA-N 0 0 285.343 2.824 10 30 CFEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121434330 629981875 /nfs/dbraw/zinc/98/18/75/629981875.db2.gz GNZUUSIYOTWQOO-ABAIWWIYSA-N 0 0 276.332 2.897 10 30 CFEERN CC[C@@H](CC#N)OC(=O)C1(c2ccccc2)CCOCC1 ZINC000187990661 650310370 /nfs/dbraw/zinc/31/03/70/650310370.db2.gz BJYXFZPFWHHLGN-HNNXBMFYSA-N 0 0 287.359 2.970 10 30 CFEERN C#CCOCCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000122547380 639192711 /nfs/dbraw/zinc/19/27/11/639192711.db2.gz OXEQLJZGZDOYGR-SNVBAGLBSA-N 0 0 283.730 2.696 10 30 CFEERN C#CCCCC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000192369244 650557622 /nfs/dbraw/zinc/55/76/22/650557622.db2.gz IILRRLQGHPAUBZ-UHFFFAOYSA-N 0 0 287.363 2.636 10 30 CFEERN C[C@H]1OCCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195046408 650736541 /nfs/dbraw/zinc/73/65/41/650736541.db2.gz JHQPHONPHXKJGM-NEPJUHHUSA-N 0 0 253.342 2.675 10 30 CFEERN C=C(Br)CN[C@H](C)c1cncc(F)c1 ZINC000125122623 642463028 /nfs/dbraw/zinc/46/30/28/642463028.db2.gz QOEYNPHOHJCFFG-MRVPVSSYSA-N 0 0 259.122 2.780 10 30 CFEERN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C#N ZINC000125144664 642465808 /nfs/dbraw/zinc/46/58/08/642465808.db2.gz WAIHAVRCMZXZMH-SECBINFHSA-N 0 0 273.361 2.798 10 30 CFEERN C/N=C1/S/C(=C\c2ccc(C)s2)C(=O)N1C ZINC000096471471 650992740 /nfs/dbraw/zinc/99/27/40/650992740.db2.gz DDEGVIDZQOCUDP-QBJFVVIPSA-N 0 0 252.364 2.588 10 30 CFEERN Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C1CCOCC1 ZINC000130641421 645542882 /nfs/dbraw/zinc/54/28/82/645542882.db2.gz IQRKBTNZACQVLW-LBPRGKRZSA-N 0 0 273.332 2.839 10 30 CFEERN Cc1cc(C#N)ccc1C(=O)O[C@H](C)C1CCOCC1 ZINC000130641632 645543098 /nfs/dbraw/zinc/54/30/98/645543098.db2.gz IQRKBTNZACQVLW-GFCCVEGCSA-N 0 0 273.332 2.839 10 30 CFEERN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000082316742 177961122 /nfs/dbraw/zinc/96/11/22/177961122.db2.gz SJCUWCJMYYYAQI-OCCSQVGLSA-N 0 0 263.362 2.851 10 30 CFEERN C=CC[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000095642899 185017475 /nfs/dbraw/zinc/01/74/75/185017475.db2.gz ADCXPIUMGCIOFG-SMDDNHRTSA-N 0 0 255.358 2.713 10 30 CFEERN O=CC[C@H](C1CCCC1)n1cc(Br)cn1 ZINC000095936821 185034433 /nfs/dbraw/zinc/03/44/33/185034433.db2.gz QCSYUGWULRFWHZ-LLVKDONJSA-N 0 0 271.158 2.966 10 30 CFEERN C=CC[C@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1 ZINC000083331986 178381255 /nfs/dbraw/zinc/38/12/55/178381255.db2.gz UFIGRANCXYGHPY-LSDHHAIUSA-N 0 0 275.348 2.725 10 30 CFEERN CC[C@@H](Nc1cnc(C#N)cn1)c1cccc([N+](=O)[O-])c1 ZINC000126438127 187240596 /nfs/dbraw/zinc/24/05/96/187240596.db2.gz MIQMEIXCXKKJSU-CYBMUJFWSA-N 0 0 283.291 2.820 10 30 CFEERN C=C(C)CN1c2ccc(NC(=O)C(C)C)cc2OCC1=O ZINC000012335400 136378809 /nfs/dbraw/zinc/37/88/09/136378809.db2.gz HBCKTTAOIDCNHM-UHFFFAOYSA-N 0 0 288.347 2.583 10 30 CFEERN CN(C)c1nc2ccc(NC(=O)C[C@H]3CCOC3)cc2o1 ZINC000330234638 529805424 /nfs/dbraw/zinc/80/54/24/529805424.db2.gz SRNKFFPKOVZAFW-SNVBAGLBSA-N 0 0 289.335 2.908 10 30 CFEERN CC(=O)c1ccc(C#N)c(NC[C@@H](O)C(C)(C)C)c1 ZINC000273195597 192071929 /nfs/dbraw/zinc/07/19/29/192071929.db2.gz KBECGFAZXPVDPF-CQSZACIVSA-N 0 0 260.337 2.580 10 30 CFEERN Cc1cc(N2CCSC[C@H](C)C2)c(C#N)c(C)n1 ZINC000302717554 301340217 /nfs/dbraw/zinc/34/02/17/301340217.db2.gz KAQQGIWTYFHECW-SNVBAGLBSA-N 0 0 261.394 2.759 10 30 CFEERN N#C[C@H](CCc1ccccc1)NC(=O)c1ccccc1 ZINC000008460665 346223980 /nfs/dbraw/zinc/22/39/80/346223980.db2.gz OUXCHPICFZXDPZ-INIZCTEOSA-N 0 0 264.328 2.941 10 30 CFEERN CC[C@@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031622822 346295664 /nfs/dbraw/zinc/29/56/64/346295664.db2.gz RQNNBMVBEQZRGU-INIZCTEOSA-N 0 0 258.365 2.580 10 30 CFEERN CCn1cc(C#N)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000085346142 179029225 /nfs/dbraw/zinc/02/92/25/179029225.db2.gz SQHWWCMOVOJZNA-UHFFFAOYSA-N 0 0 285.322 2.632 10 30 CFEERN C=C1CCN(C=O)[C@H](Cc2ccccc2OC)[C@@H]1C ZINC000036406532 346322763 /nfs/dbraw/zinc/32/27/63/346322763.db2.gz IBWVEGFZPXRIDP-UKRRQHHQSA-N 0 0 259.349 2.661 10 30 CFEERN C[C@@H](C#N)CNc1cccc(I)c1 ZINC000036668928 346324015 /nfs/dbraw/zinc/32/40/15/346324015.db2.gz VMQDOOKRJRSBLV-QMMMGPOBSA-N 0 0 286.116 2.863 10 30 CFEERN C[C@H](C#N)C(=O)c1cc(F)ccc1Br ZINC000036935199 346324924 /nfs/dbraw/zinc/32/49/24/346324924.db2.gz BQGIWFWPRAAKJA-ZCFIWIBFSA-N 0 0 256.074 2.931 10 30 CFEERN CC1CCC(C#N)(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000040364671 346346115 /nfs/dbraw/zinc/34/61/15/346346115.db2.gz OGZAMOCFDMQKLI-UHFFFAOYSA-N 0 0 296.367 2.576 10 30 CFEERN N#C[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829767 346577073 /nfs/dbraw/zinc/57/70/73/346577073.db2.gz VNVVUXXRBHZRGK-OCCSQVGLSA-N 0 0 259.309 2.767 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1c[nH]nc1-c1cccs1 ZINC000061892393 346685453 /nfs/dbraw/zinc/68/54/53/346685453.db2.gz XKXDCGOWXRYEFH-JQWIXIFHSA-N 0 0 272.377 2.920 10 30 CFEERN Cn1ncnc1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000078677338 347270431 /nfs/dbraw/zinc/27/04/31/347270431.db2.gz HGOMBPOSFZIEGD-UHFFFAOYSA-N 0 0 298.737 2.500 10 30 CFEERN CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1noc(C)n1 ZINC000080679482 347374169 /nfs/dbraw/zinc/37/41/69/347374169.db2.gz MVKWUKYLZLIZLT-SECBINFHSA-N 0 0 277.715 2.861 10 30 CFEERN CC[C@](C)(CCO)Nc1snc(Cl)c1C#N ZINC000092684517 347640619 /nfs/dbraw/zinc/64/06/19/347640619.db2.gz JFPPTGPAJYLHLC-SNVBAGLBSA-N 0 0 259.762 2.631 10 30 CFEERN C[C@]12C[C@H](O)[C@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@H]1CCC2=O ZINC000097743689 347710337 /nfs/dbraw/zinc/71/03/37/347710337.db2.gz VDCOSJPGDDQNJH-IIJFQDNNSA-N 0 0 288.387 2.668 10 30 CFEERN CC(C)(C#N)c1csc(-c2ccnc3n[nH]cc32)n1 ZINC000113502117 347768281 /nfs/dbraw/zinc/76/82/81/347768281.db2.gz ARYNFCGSOXYSJN-UHFFFAOYSA-N 0 0 269.333 2.883 10 30 CFEERN C#CCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000115041310 347776527 /nfs/dbraw/zinc/77/65/27/347776527.db2.gz XYHZCWQGARGTDB-UHFFFAOYSA-N 0 0 266.362 2.894 10 30 CFEERN COCn1cc(-c2cccnc2)c2c1nccc2C#N ZINC000117859499 347794784 /nfs/dbraw/zinc/79/47/84/347794784.db2.gz JLGUGEOBWAGNHV-UHFFFAOYSA-N 0 0 264.288 2.574 10 30 CFEERN Cc1ccc(Oc2cc(C#N)cc([N+](=O)[O-])c2)cn1 ZINC000117818798 347795317 /nfs/dbraw/zinc/79/53/17/347795317.db2.gz DNCYTGBRXPSSML-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN CCCCCCCCC(=O)N(CC)CC(=O)OC ZINC000103392809 185836146 /nfs/dbraw/zinc/83/61/46/185836146.db2.gz LAFPDHHBDQTRRH-UHFFFAOYSA-N 0 0 257.374 2.759 10 30 CFEERN CCOC(=O)[C@H](C#N)c1ccccc1C(F)(F)F ZINC000128551667 347852897 /nfs/dbraw/zinc/85/28/97/347852897.db2.gz FSOFXRIIRMZBAE-SECBINFHSA-N 0 0 257.211 2.876 10 30 CFEERN Cc1ccc([C@H](O)[C@H](C)C#N)c(Br)c1 ZINC000129819268 347865157 /nfs/dbraw/zinc/86/51/57/347865157.db2.gz AIGKIWZKIIFSPV-LDYMZIIASA-N 0 0 254.127 2.951 10 30 CFEERN CCOC(C#CCC(=O)Cc1ccccc1)OCC ZINC000725254031 539583895 /nfs/dbraw/zinc/58/38/95/539583895.db2.gz BXOXOYXUOFRGCT-UHFFFAOYSA-N 0 0 260.333 2.591 10 30 CFEERN CCOC(C#CCC(=O)CC1CCCC1)OCC ZINC000725254061 539584138 /nfs/dbraw/zinc/58/41/38/539584138.db2.gz DKOWMKMQRVHOGS-UHFFFAOYSA-N 0 0 252.354 2.928 10 30 CFEERN COC1=CC(=NC(=O)c2ccccc2)C(OC)=CC1=NN=N ZINC000606521128 539586250 /nfs/dbraw/zinc/58/62/50/539586250.db2.gz LNGUASJCJRQACM-UHFFFAOYSA-N 0 0 298.302 2.729 10 30 CFEERN CCOC(=O)c1ccc2c(c1)CC[C@@H](CCC=O)C2 ZINC000142957912 347935951 /nfs/dbraw/zinc/93/59/51/347935951.db2.gz WTZDMZANXIHUEU-GFCCVEGCSA-N 0 0 260.333 2.947 10 30 CFEERN C=CCOc1cc(O[C@H]2CCCCO2)ccc1C=O ZINC000142967537 347936135 /nfs/dbraw/zinc/93/61/35/347936135.db2.gz BPZASLLHMDUPCB-HNNXBMFYSA-N 0 0 262.305 2.969 10 30 CFEERN C#C[C@@H](C)Nc1ccc(F)cc1I ZINC000135171810 347905134 /nfs/dbraw/zinc/90/51/34/347905134.db2.gz VDUPSGBYLYBGIP-SSDOTTSWSA-N 0 0 289.091 2.864 10 30 CFEERN Cc1ccnc(N[C@H]2CCc3cc(N)ccc32)c1C#N ZINC000135208329 347905148 /nfs/dbraw/zinc/90/51/48/347905148.db2.gz JAOITDKXSYFURD-HNNXBMFYSA-N 0 0 264.332 2.943 10 30 CFEERN N#Cc1cc(Br)ccc1NC(=O)C1CC1 ZINC000135267052 347905519 /nfs/dbraw/zinc/90/55/19/347905519.db2.gz IKMVFPDCVWIDCM-UHFFFAOYSA-N 0 0 265.110 2.669 10 30 CFEERN C=C(Br)Cn1cc2c(c1)[C@@H](O)CCC2 ZINC000135453982 347907098 /nfs/dbraw/zinc/90/70/98/347907098.db2.gz WGOUOKHVXPGCCJ-NSHDSACASA-N 0 0 256.143 2.766 10 30 CFEERN O=C1C=C([C@H](O)c2ccccc2)C(=O)C2=C1CCCC2 ZINC000137164317 347912165 /nfs/dbraw/zinc/91/21/65/347912165.db2.gz MUAMVANORYQFBH-MRXNPFEDSA-N 0 0 268.312 2.669 10 30 CFEERN CC(C)(C)[S@@](=O)N[C@](C)(C#N)COCc1ccccc1 ZINC000146307102 347945161 /nfs/dbraw/zinc/94/51/61/347945161.db2.gz DEXJMRNYBGYWGO-QRWLVFNGSA-N 0 0 294.420 2.537 10 30 CFEERN CC(C)(C)[S@](=O)N[C@](C)(C#N)COCc1ccccc1 ZINC000146307294 347945222 /nfs/dbraw/zinc/94/52/22/347945222.db2.gz DEXJMRNYBGYWGO-FOIQADDNSA-N 0 0 294.420 2.537 10 30 CFEERN C[C@@H](C#N)Oc1ccc(Br)cc1C#N ZINC000157478244 348000750 /nfs/dbraw/zinc/00/07/50/348000750.db2.gz DGNFQJCMWFYJMM-ZETCQYMHSA-N 0 0 251.083 2.612 10 30 CFEERN C[C@@H](OS(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000166226466 348041763 /nfs/dbraw/zinc/04/17/63/348041763.db2.gz JAPKMVXAYPIAJH-ZCFIWIBFSA-N 0 0 252.694 2.516 10 30 CFEERN C=CCC[C@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000167799596 348045966 /nfs/dbraw/zinc/04/59/66/348045966.db2.gz NITYYUUVEOMRSW-NSHDSACASA-N 0 0 251.326 2.678 10 30 CFEERN C[C@@H]1COc2ccccc2[C@]1(Br)C#N ZINC000168113853 348047042 /nfs/dbraw/zinc/04/70/42/348047042.db2.gz UZYFCWXUBIOAPD-KCJUWKMLSA-N 0 0 252.111 2.829 10 30 CFEERN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000086814871 179344042 /nfs/dbraw/zinc/34/40/42/179344042.db2.gz NPVQZXJANZSDLP-IUODEOHRSA-N 0 0 272.348 2.948 10 30 CFEERN CN(Cc1cnc(N)c(C#N)n1)c1ccc2ccccc2c1 ZINC000225500486 348177415 /nfs/dbraw/zinc/17/74/15/348177415.db2.gz ZHUIHHLBMLCZJI-UHFFFAOYSA-N 0 0 289.342 2.720 10 30 CFEERN COC(=O)c1ccc(/C=[N+](\[O-])c2ccccc2C)cc1 ZINC000225429032 348177603 /nfs/dbraw/zinc/17/76/03/348177603.db2.gz XQRRHCMPSRMLAV-BOPFTXTBSA-N 0 0 270.308 2.934 10 30 CFEERN CC(C)(O)C#Cc1cnc2cccc(Br)c2n1 ZINC000201294503 348153418 /nfs/dbraw/zinc/15/34/18/348153418.db2.gz GWLHCAVBQLEIQE-UHFFFAOYSA-N 0 0 291.148 2.515 10 30 CFEERN C=C(Br)CNc1cc(Br)ncn1 ZINC000229316224 348200965 /nfs/dbraw/zinc/20/09/65/348200965.db2.gz VCEHJFBWMMSXGU-UHFFFAOYSA-N 0 0 292.962 2.560 10 30 CFEERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000230057891 348203783 /nfs/dbraw/zinc/20/37/83/348203783.db2.gz ODAJRLPZTKHZGO-GWCFXTLKSA-N 0 0 260.312 2.750 10 30 CFEERN C#CCOC(=O)Nc1cccc(Br)c1 ZINC000238066473 348244025 /nfs/dbraw/zinc/24/40/25/348244025.db2.gz QFOXWDCFQHCEMA-UHFFFAOYSA-N 0 0 254.083 2.631 10 30 CFEERN C[C@@H](C=O)Cc1ccc(I)cc1 ZINC000238460381 348246247 /nfs/dbraw/zinc/24/62/47/348246247.db2.gz SVKDQRFNKXIRQN-MRVPVSSYSA-N 0 0 274.101 2.669 10 30 CFEERN N#Cc1cnc(Br)cc1OC(F)(F)F ZINC000238525856 348246487 /nfs/dbraw/zinc/24/64/87/348246487.db2.gz WQDHJGYNSQNNIE-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#CCc1cncc(OC(F)(F)F)c1Br ZINC000238543565 348247159 /nfs/dbraw/zinc/24/71/59/348247159.db2.gz GIVBRBDHWBNQKZ-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C#C[C@H](Nc1cncc(Br)c1)C(C)C ZINC000300972661 348370640 /nfs/dbraw/zinc/37/06/40/348370640.db2.gz SHGMXAWTHLYQKY-NSHDSACASA-N 0 0 253.143 2.914 10 30 CFEERN C#C[C@@H](Nc1nc(Br)cs1)C(C)C ZINC000300940999 348371012 /nfs/dbraw/zinc/37/10/12/348371012.db2.gz OSDPKGAYCGFJJO-SSDOTTSWSA-N 0 0 259.172 2.975 10 30 CFEERN O=C(C#CBr)Nc1cc(Cl)ccc1F ZINC000306333770 348386812 /nfs/dbraw/zinc/38/68/12/348386812.db2.gz IJXGZSQVLSMCMT-UHFFFAOYSA-N 0 0 276.492 2.773 10 30 CFEERN N#Cc1cc(Br)cnc1NCC[C@@H]1CCCO1 ZINC000310350621 348408585 /nfs/dbraw/zinc/40/85/85/348408585.db2.gz GQWLNNUGYMUJOK-NSHDSACASA-N 0 0 296.168 2.697 10 30 CFEERN C=C(C)CCNc1ncc(N)cc1Br ZINC000306784469 348392281 /nfs/dbraw/zinc/39/22/81/348392281.db2.gz MFIKDEBICSJGTQ-UHFFFAOYSA-N 0 0 256.147 2.804 10 30 CFEERN Cc1nsc(Sc2nc(Cl)c(C#N)s2)n1 ZINC000306808260 348392698 /nfs/dbraw/zinc/39/26/98/348392698.db2.gz OLMIAPOCHJNXOX-UHFFFAOYSA-N 0 0 274.783 2.979 10 30 CFEERN C[C@@H](C#N)Oc1c(N)cc(Br)cc1Cl ZINC000307030510 348395313 /nfs/dbraw/zinc/39/53/13/348395313.db2.gz PRSOYRNKFLJDQK-YFKPBYRVSA-N 0 0 275.533 2.976 10 30 CFEERN O=C[C@H]1CC[C@H](c2ccc(Br)cc2)O1 ZINC000307528516 348400202 /nfs/dbraw/zinc/40/02/02/348400202.db2.gz KEWLLNADVMJFOA-GHMZBOCLSA-N 0 0 255.111 2.868 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000335757705 348449768 /nfs/dbraw/zinc/44/97/68/348449768.db2.gz MDEPQPOQIHERJF-RISCZKNCSA-N 0 0 272.323 2.666 10 30 CFEERN Cc1ccc(C#N)c(N[C@@H]2CNc3ccccc3C2)n1 ZINC000404448448 348592442 /nfs/dbraw/zinc/59/24/42/348592442.db2.gz BKXDIIRAEWYBDB-AWEZNQCLSA-N 0 0 264.332 2.710 10 30 CFEERN N#Cc1ccc(Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)cc1 ZINC000584598999 348684879 /nfs/dbraw/zinc/68/48/79/348684879.db2.gz FWZKKYOFSKNRGS-UHFFFAOYSA-N 0 0 296.208 2.730 10 30 CFEERN N#CC[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000584600185 348684893 /nfs/dbraw/zinc/68/48/93/348684893.db2.gz RXPOETHGMAGYGA-OAHLLOKOSA-N 0 0 281.311 2.571 10 30 CFEERN C[C@H](c1ccc(C#N)cc1)n1cc(N)c(C(F)(F)F)n1 ZINC000584599223 348685090 /nfs/dbraw/zinc/68/50/90/348685090.db2.gz XOWHVQBIXPHEQR-MRVPVSSYSA-N 0 0 280.253 2.965 10 30 CFEERN C=C[C@@H](C)O[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000584603127 348686524 /nfs/dbraw/zinc/68/65/24/348686524.db2.gz LZGJAKNAUSFIGO-ZYHUDNBSSA-N 0 0 294.284 2.733 10 30 CFEERN C#C[C@@](OC(C)=O)(c1cccc(F)c1)C1(C#N)CC1 ZINC000584603271 348686533 /nfs/dbraw/zinc/68/65/33/348686533.db2.gz OXSIVJOVYFPOGW-OAHLLOKOSA-N 0 0 257.264 2.521 10 30 CFEERN CC(C)CNC(=S)N/N=C/c1nccc2ccccc21 ZINC000584605568 348687985 /nfs/dbraw/zinc/68/79/85/348687985.db2.gz 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NSQBZRHBYCEDHD-UHFFFAOYSA-N 0 0 280.331 2.815 10 30 CFEERN N#CC1(c2ccc(C(F)(F)F)nc2)CCOCC1 ZINC000584647338 348701323 /nfs/dbraw/zinc/70/13/23/348701323.db2.gz OWOKAAKHWSYLRI-UHFFFAOYSA-N 0 0 256.227 2.672 10 30 CFEERN CC(C)(C)OC(=O)N1CCc2cccc(CC=O)c21 ZINC000089209566 179755295 /nfs/dbraw/zinc/75/52/95/179755295.db2.gz HKUKTZQUYQPHQP-UHFFFAOYSA-N 0 0 261.321 2.726 10 30 CFEERN CSc1ccccc1Oc1ccc(/C(N)=N/O)cn1 ZINC000104339117 185974574 /nfs/dbraw/zinc/97/45/74/185974574.db2.gz PEQSMQGZJPXTMO-UHFFFAOYSA-N 0 0 275.333 2.690 10 30 CFEERN CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000593450032 349273439 /nfs/dbraw/zinc/27/34/39/349273439.db2.gz IVVKDGUIUNCODP-MNOVXSKESA-N 0 0 263.366 2.746 10 30 CFEERN COc1ccc2c(C/C(=N/N)c3ccccn3)ccnc2c1 ZINC000091302041 180129269 /nfs/dbraw/zinc/12/92/69/180129269.db2.gz VZORJPFHKPDXDD-FXBPSFAMSA-N 0 0 292.342 2.544 10 30 CFEERN CC(C)(C)OC(=O)N1Cc2ccsc2[C@H](C=O)C1 ZINC000091303691 180130698 /nfs/dbraw/zinc/13/06/98/180130698.db2.gz 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CFEERN N#CC1CCN(c2ccc(OC(F)(F)F)cn2)CC1 ZINC000302566334 382269487 /nfs/dbraw/zinc/26/94/87/382269487.db2.gz NJSVNJXXHFOZDF-UHFFFAOYSA-N 0 0 271.242 2.720 10 30 CFEERN N#Cc1ccc(N(CCO)Cc2cccc(Cl)c2)nc1 ZINC000302737638 382307399 /nfs/dbraw/zinc/30/73/99/382307399.db2.gz PTRCKCZOOPNGQB-UHFFFAOYSA-N 0 0 287.750 2.606 10 30 CFEERN N#Cc1nc(Sc2ncc3ccccn32)ccc1[N+](=O)[O-] ZINC000302716250 382299542 /nfs/dbraw/zinc/29/95/42/382299542.db2.gz JNLKQNCZGWNHSS-UHFFFAOYSA-N 0 0 297.299 2.660 10 30 CFEERN N#Cc1ccc(C(F)(F)F)c(Br)c1N ZINC000307276793 382465434 /nfs/dbraw/zinc/46/54/34/382465434.db2.gz XTSGJZFSTFZYES-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN C[C@@H](Nc1nc2c(cc1C#N)CCCC2)[C@H]1CCCO1 ZINC000043409435 184558819 /nfs/dbraw/zinc/55/88/19/184558819.db2.gz ACBAOYKDGPRXNK-IAQYHMDHSA-N 0 0 271.364 2.811 10 30 CFEERN CC(C)(C)OC(=O)NCCCC(=NO)c1ccccn1 ZINC000382597773 382533206 /nfs/dbraw/zinc/53/32/06/382533206.db2.gz KRLFPXNJRLONFS-UHFFFAOYSA-N 0 0 279.340 2.565 10 30 CFEERN N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000192507401 382709538 /nfs/dbraw/zinc/70/95/38/382709538.db2.gz INOKLACHVSHQRH-GHMZBOCLSA-N 0 0 297.280 2.804 10 30 CFEERN N#Cc1nc(OC(F)(F)F)ccc1C(F)(F)F ZINC000575374345 382762031 /nfs/dbraw/zinc/76/20/31/382762031.db2.gz PGKQNCPPYMGJSK-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1c(C(F)(F)F)ccnc1OC(F)(F)F ZINC000575374307 382762043 /nfs/dbraw/zinc/76/20/43/382762043.db2.gz LPXSIHSFRLGOQD-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1cc(C(F)(F)F)cnc1OC(F)(F)F ZINC000575374375 382762068 /nfs/dbraw/zinc/76/20/68/382762068.db2.gz UWSHYOXHIKDIOY-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN CC(C)N(Cc1nnnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000195118298 382762481 /nfs/dbraw/zinc/76/24/81/382762481.db2.gz PRZOZQULEMIVPA-UHFFFAOYSA-N 0 0 298.394 2.536 10 30 CFEERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1OC(F)F ZINC000575382453 382762997 /nfs/dbraw/zinc/76/29/97/382762997.db2.gz MIBDTAFMRPLGSH-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN 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/nfs/dbraw/zinc/76/54/22/382765422.db2.gz DZAOGVPOPGXBGO-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCc1cc(C#N)c(C(F)F)c(CC(=O)OC)c1 ZINC000575389708 382765808 /nfs/dbraw/zinc/76/58/08/382765808.db2.gz LDZLZHYJWOOTGZ-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(F)cc1C(F)F ZINC000575389716 382765848 /nfs/dbraw/zinc/76/58/48/382765848.db2.gz LTPNKBIMEYXOKI-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1c(C#N)ccc(C(F)(F)F)c1C(=O)OC ZINC000575389895 382766048 /nfs/dbraw/zinc/76/60/48/382766048.db2.gz UMSICKHCESLBBQ-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1cc(C(=O)OC)c(C#N)cc1C(F)(F)F ZINC000575389828 382766192 /nfs/dbraw/zinc/76/61/92/382766192.db2.gz QMWQTILWSWTPKA-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(C=O)c1C(F)(F)F ZINC000575391636 382766706 /nfs/dbraw/zinc/76/67/06/382766706.db2.gz YXWCFFQMQVIQDH-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1C=O ZINC000575391048 382766739 /nfs/dbraw/zinc/76/67/39/382766739.db2.gz GLFMILSMFBVXPQ-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)cc(C=O)c1C#N ZINC000575391370 382766741 /nfs/dbraw/zinc/76/67/41/382766741.db2.gz KOLKRDJSRNGMNT-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(O)c1SC(F)(F)F ZINC000575392389 382767226 /nfs/dbraw/zinc/76/72/26/382767226.db2.gz XTOFKLIFNLPLKN-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)Cc1cc(C(F)(F)F)c(C)cc1C#N ZINC000575394297 382767869 /nfs/dbraw/zinc/76/78/69/382767869.db2.gz AVPKJPMYRSSBIU-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1C ZINC000575394316 382767951 /nfs/dbraw/zinc/76/79/51/382767951.db2.gz CLWJYBNNSRUSAR-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN COC(=O)c1cc(OC)c(C#N)c(SC(F)(F)F)c1 ZINC000575394130 382767982 /nfs/dbraw/zinc/76/79/82/382767982.db2.gz DSPJQWDACNKOOE-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC)c1C(F)(F)F ZINC000575394019 382768029 /nfs/dbraw/zinc/76/80/29/382768029.db2.gz DYTMODUUOMUOGQ-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1c(C)cc(OC(F)(F)F)cc1C#N ZINC000575394685 382768185 /nfs/dbraw/zinc/76/81/85/382768185.db2.gz KUCCKPOINXJERY-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)c1cc(C#N)cc(C)c1OC(F)(F)F ZINC000575394423 382768280 /nfs/dbraw/zinc/76/82/80/382768280.db2.gz HFRPWMFZPAESHC-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C)c1C#N ZINC000575394359 382768283 /nfs/dbraw/zinc/76/82/83/382768283.db2.gz FQCUDLGFZUVTKT-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)c1ccc(OC(F)(F)F)c(C)c1C#N ZINC000575395025 382768430 /nfs/dbraw/zinc/76/84/30/382768430.db2.gz UYNQLIUWWZPUSS-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1ccc(OC(F)(F)F)c(C#N)c1OC ZINC000575394844 382768484 /nfs/dbraw/zinc/76/84/84/382768484.db2.gz PQTUHLVHOFIBSF-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1C(F)(F)F ZINC000575394944 382768538 /nfs/dbraw/zinc/76/85/38/382768538.db2.gz VDNXBQSACIPLEU-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)c(C#N)cc1OC ZINC000575394983 382768588 /nfs/dbraw/zinc/76/85/88/382768588.db2.gz QVWMMTOXBBOKGD-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)cc1OC ZINC000575395001 382768618 /nfs/dbraw/zinc/76/86/18/382768618.db2.gz SAEZDIVKBFTMPP-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1C#N ZINC000575395551 382768821 /nfs/dbraw/zinc/76/88/21/382768821.db2.gz GUNJNWLLLCCMJF-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCn1cc(C2CCN(C[C@H](C#N)CCC#N)CC2)cn1 ZINC000195512645 382768870 /nfs/dbraw/zinc/76/88/70/382768870.db2.gz SGHCYKSZOMVVSA-AWEZNQCLSA-N 0 0 285.395 2.526 10 30 CFEERN C=CCn1c(C)nnc1SCc1nccn1C(C)C ZINC000195516921 382768884 /nfs/dbraw/zinc/76/88/84/382768884.db2.gz CONZGJHTVDNRJB-UHFFFAOYSA-N 0 0 277.397 2.842 10 30 CFEERN COC(=O)c1c(C)c(OC(F)(F)F)ccc1C#N ZINC000575395249 382768973 /nfs/dbraw/zinc/76/89/73/382768973.db2.gz UMIYZRODRANJHE-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN COC(=O)c1c(C#N)ccc(SC(F)(F)F)c1OC ZINC000575395244 382769024 /nfs/dbraw/zinc/76/90/24/382769024.db2.gz ZRTMPUJOUNFBFB-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOc1cc(C#N)c(OC(F)F)cc1CC#N ZINC000575639804 382776415 /nfs/dbraw/zinc/77/64/15/382776415.db2.gz UGSCENZEPKNKAR-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN COc1c(CC#N)cc(C#N)cc1OC(F)(F)F ZINC000575648247 382777995 /nfs/dbraw/zinc/77/79/95/382777995.db2.gz LKEUNQPNPMWFFP-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN COc1cc(CC#N)cc(OC(F)(F)F)c1C#N ZINC000575650678 382778293 /nfs/dbraw/zinc/77/82/93/382778293.db2.gz UVTMNCNTKJXKQY-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN CCOc1cc(C=O)cc(OC(F)F)c1CC#N ZINC000575655424 382779327 /nfs/dbraw/zinc/77/93/27/382779327.db2.gz FNGZHMULICFHDG-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1cc(C=O)c(OC(F)F)cc1CC#N ZINC000575655695 382779348 /nfs/dbraw/zinc/77/93/48/382779348.db2.gz HFZVAGWEELJTNX-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1cc(C=O)c(CC#N)c(OC(F)F)c1 ZINC000575656446 382779595 /nfs/dbraw/zinc/77/95/95/382779595.db2.gz KTORVOQWZSKFTP-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN N#Cc1cc(Cl)nc(Sc2ncns2)c1 ZINC000215567334 382779775 /nfs/dbraw/zinc/77/97/75/382779775.db2.gz WQMCXHWNWQCGSE-UHFFFAOYSA-N 0 0 254.727 2.609 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(OC(F)F)c1CC#N ZINC000575657017 382779989 /nfs/dbraw/zinc/77/99/89/382779989.db2.gz INGIOUGWMANHQT-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c(CC#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575657781 382780055 /nfs/dbraw/zinc/78/00/55/382780055.db2.gz LXRPRLADTNEIJL-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(OC(F)F)c(C=O)cc1CC#N ZINC000575657755 382780056 /nfs/dbraw/zinc/78/00/56/382780056.db2.gz VVIPVKMJPSWPBZ-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1c(CC#N)ccc(OC(F)F)c1OC ZINC000575658341 382780365 /nfs/dbraw/zinc/78/03/65/382780365.db2.gz SGXUSZWRCIZIAB-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCc1cc(CC#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575659552 382780599 /nfs/dbraw/zinc/78/05/99/382780599.db2.gz IPCYBGMZSXEKBE-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1ccc(CC#N)c([N+](=O)[O-])c1OC(F)F ZINC000575660450 382780660 /nfs/dbraw/zinc/78/06/60/382780660.db2.gz PYUKUJUCKQSUSG-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1cc(N)c(OC(F)(F)F)cc1OC(F)F ZINC000575716395 382794881 /nfs/dbraw/zinc/79/48/81/382794881.db2.gz AJDJHNAACICPHA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1c(O)cc(OC(F)F)cc1OC(F)(F)F ZINC000575661372 382781059 /nfs/dbraw/zinc/78/10/59/382781059.db2.gz GCPBWODKZKEVDJ-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#CCc1cc(O)c(OC(F)F)c(OC(F)(F)F)c1 ZINC000575661740 382781485 /nfs/dbraw/zinc/78/14/85/382781485.db2.gz KUGGBWHOTKIQKD-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#Cc1cc(OC(F)F)c(O)cc1C(F)(F)F ZINC000575662185 382781585 /nfs/dbraw/zinc/78/15/85/382781585.db2.gz SULNLUUCNRLPGP-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#Cc1c(O)cc(C(F)(F)F)cc1OC(F)F ZINC000575661560 382781640 /nfs/dbraw/zinc/78/16/40/382781640.db2.gz JERAXRKMJUAFFL-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1cc(C(F)(F)F)cc(N)c1OC(F)F ZINC000575716515 382794934 /nfs/dbraw/zinc/79/49/34/382794934.db2.gz DWBLGAWYQPGHFI-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCOc1cc(I)cc(C#N)c1F ZINC000575669935 382783276 /nfs/dbraw/zinc/78/32/76/382783276.db2.gz BOPUGMFUIZKZLE-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c(C#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575670859 382783495 /nfs/dbraw/zinc/78/34/95/382783495.db2.gz NNNLUWOVPBQHAK-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1cc(C#N)cc(F)c1I ZINC000575670527 382783514 /nfs/dbraw/zinc/78/35/14/382783514.db2.gz KNKCUEOVINPASC-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1ccc(C(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575670440 382783523 /nfs/dbraw/zinc/78/35/23/382783523.db2.gz HUSNZUYITPKPBM-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1cc(C)cc(I)c1C#N ZINC000575670993 382783536 /nfs/dbraw/zinc/78/35/36/382783536.db2.gz ORCGLWBJHCPSCR-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C#N ZINC000575670412 382783711 /nfs/dbraw/zinc/78/37/11/382783711.db2.gz HDQZWIRVQMCAHZ-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1c(C#N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575671267 382783887 /nfs/dbraw/zinc/78/38/87/382783887.db2.gz PRWUXCLZKSCVJF-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN Cc1cc(C#N)cc(I)c1C ZINC000575671791 382783929 /nfs/dbraw/zinc/78/39/29/382783929.db2.gz OJWZAZXLSNRIPV-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN N#Cc1c(Cl)ccc([N+](=O)[O-])c1Br ZINC000575678455 382784945 /nfs/dbraw/zinc/78/49/45/382784945.db2.gz VLUXMVCYXAPCIJ-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#CCc1c(OC(F)F)cc(N)cc1C(F)(F)F ZINC000575717330 382795238 /nfs/dbraw/zinc/79/52/38/382795238.db2.gz NAUNYOOKTGUJKK-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1c(Br)cc([N+](=O)[O-])cc1OC(F)F ZINC000575684402 382787563 /nfs/dbraw/zinc/78/75/63/382787563.db2.gz GJFHPSBLKNLPMD-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1ccc(OC(F)F)c([N+](=O)[O-])c1Br ZINC000575688407 382788458 /nfs/dbraw/zinc/78/84/58/382788458.db2.gz ZOYCPYXLUQORRY-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN Cc1cc(CC#N)c(Br)cc1[N+](=O)[O-] ZINC000218125168 382789547 /nfs/dbraw/zinc/78/95/47/382789547.db2.gz OJFNBLGWCYJFBJ-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN CCOC(=O)c1cc(Cl)c(OC(F)F)cc1C#N ZINC000575342996 382759670 /nfs/dbraw/zinc/75/96/70/382759670.db2.gz KEVBIVKRYDMIBV-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN COC(=O)Cc1c(Cl)cc(C#N)cc1OC(F)F ZINC000575343020 382759690 /nfs/dbraw/zinc/75/96/90/382759690.db2.gz RRKDLTHRCWWPEV-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)c1cc(C#N)c(Cl)cc1OC(F)F ZINC000575343024 382759730 /nfs/dbraw/zinc/75/97/30/382759730.db2.gz RXWBTCIFRGJEPQ-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1cc(Cl)cc(C#N)c1OC(F)F ZINC000575343043 382759804 /nfs/dbraw/zinc/75/98/04/382759804.db2.gz WVZMARUHBIYZLZ-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])cc1C(F)F ZINC000575343903 382760095 /nfs/dbraw/zinc/76/00/95/382760095.db2.gz JDEPGTSPFFPLJL-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN C=CCOC(=O)c1cc(-n2cccc2)ccc1N(C)C ZINC000226279211 382825941 /nfs/dbraw/zinc/82/59/41/382825941.db2.gz JYZVVOAZNNSTQM-UHFFFAOYSA-N 0 0 270.332 2.886 10 30 CFEERN CCN(CC)c1ccc(N(C)C(=O)C(F)(F)F)cc1C#N ZINC000226280164 382825962 /nfs/dbraw/zinc/82/59/62/382825962.db2.gz HKGJYOFPDDRXEH-UHFFFAOYSA-N 0 0 299.296 2.930 10 30 CFEERN CCC(CC)[C@@H](O)CNc1cc(C)nc(C)c1C#N ZINC000227593654 382838135 /nfs/dbraw/zinc/83/81/35/382838135.db2.gz GEXDTLXAIWROLC-HNNXBMFYSA-N 0 0 261.369 2.779 10 30 CFEERN N#Cc1sc(N[C@H]2CCCC[C@@H]2CO)nc1Cl ZINC000227832953 382841007 /nfs/dbraw/zinc/84/10/07/382841007.db2.gz YOYDUKVXIZTCTJ-SFYZADRCSA-N 0 0 271.773 2.631 10 30 CFEERN C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCCO1 ZINC000235215812 382877654 /nfs/dbraw/zinc/87/76/54/382877654.db2.gz AKJQOXSESNERFN-RQJHMYQMSA-N 0 0 257.746 2.648 10 30 CFEERN CC#CCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246813263 383107163 /nfs/dbraw/zinc/10/71/63/383107163.db2.gz TZAKLMREYHTIPW-KGLIPLIRSA-N 0 0 283.293 2.836 10 30 CFEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000248522595 383253820 /nfs/dbraw/zinc/25/38/20/383253820.db2.gz RZEGVHGPPJHMPS-BRWVUGGUSA-N 0 0 287.403 2.967 10 30 CFEERN O=C1Nc2ccc(F)cc2/C1=C1\Nc2ccccc2C1=NO ZINC000252673677 383425851 /nfs/dbraw/zinc/42/58/51/383425851.db2.gz RJIBTAMXAXHIAN-SHQWNLCCSA-N 0 0 295.273 2.793 10 30 CFEERN CN(C)c1ccc(/[N+]([O-])=C\c2ccc3nsnc3c2)cc1 ZINC000253390540 383455088 /nfs/dbraw/zinc/45/50/88/383455088.db2.gz VCEQUEIKKZDFQY-VXLYETTFSA-N 0 0 299.379 2.910 10 30 CFEERN Clc1ccc(CON=C2CCCc3nonc32)cc1 ZINC000254297109 383465917 /nfs/dbraw/zinc/46/59/17/383465917.db2.gz KBCQQWBCBORCCT-UHFFFAOYSA-N 0 0 277.711 2.980 10 30 CFEERN C[C@@H]1SC(=NN=Cc2ccc(F)cc2)NC1=O ZINC000254440274 383468377 /nfs/dbraw/zinc/46/83/77/383468377.db2.gz BSWDEXYDGYBVLO-ZETCQYMHSA-N 0 0 251.286 2.607 10 30 CFEERN CC(=O)Nc1ccc(N=Cc2ccc(O)c(O)c2)cc1 ZINC000254744749 383470179 /nfs/dbraw/zinc/47/01/79/383470179.db2.gz WZYQRESXOVNRTE-UHFFFAOYSA-N 0 0 270.288 2.807 10 30 CFEERN C#CCCCC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000192369632 533012954 /nfs/dbraw/zinc/01/29/54/533012954.db2.gz UWZHAYSKLMPWPE-UHFFFAOYSA-N 0 0 289.379 2.882 10 30 CFEERN C=CCS(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000280811183 385164168 /nfs/dbraw/zinc/16/41/68/385164168.db2.gz TUXGTALIXHOTSS-UHFFFAOYSA-N 0 0 294.203 2.941 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179292610 393461428 /nfs/dbraw/zinc/46/14/28/393461428.db2.gz RUXAOWSIHHPJRR-OAHLLOKOSA-N 0 0 297.333 2.843 10 30 CFEERN C#CCNC(=O)c1ccc(N2CC[C@@H](C(CC)CC)C2)nc1 ZINC000301361687 393470271 /nfs/dbraw/zinc/47/02/71/393470271.db2.gz MNGZUCKHJMQQTQ-MRXNPFEDSA-N 0 0 299.418 2.707 10 30 CFEERN CCOc1cc(/C=N/O)ccc1OCc1cccnc1 ZINC000020176045 393484972 /nfs/dbraw/zinc/48/49/72/393484972.db2.gz GZUVAQDZZGEBPP-LICLKQGHSA-N 0 0 272.304 2.867 10 30 CFEERN C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc(F)c(Cl)c1 ZINC000182607496 393511401 /nfs/dbraw/zinc/51/14/01/393511401.db2.gz SHSCTWFGRVLQFB-RKDXNWHRSA-N 0 0 283.734 2.999 10 30 CFEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc(C)c1F ZINC000334261040 393586539 /nfs/dbraw/zinc/58/65/39/393586539.db2.gz XIYIXLHODFMEMM-YPMHNXCESA-N 0 0 260.312 2.865 10 30 CFEERN C#CCOC(=O)c1cc(NC)ccc1N1CCCCC1 ZINC000226278862 393770723 /nfs/dbraw/zinc/77/07/23/393770723.db2.gz XHWCDWUUVARSFJ-UHFFFAOYSA-N 0 0 272.348 2.509 10 30 CFEERN Cc1cc(N2C[C@@H]3CCC[C@H]32)c(C#N)cc1[N+](=O)[O-] ZINC000413153641 393779521 /nfs/dbraw/zinc/77/95/21/393779521.db2.gz HRQKGMCJIDRNLP-CMPLNLGQSA-N 0 0 257.293 2.764 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000111399683 393885795 /nfs/dbraw/zinc/88/57/95/393885795.db2.gz OYGWRKAOYVTNCR-CHWSQXEVSA-N 0 0 253.305 2.590 10 30 CFEERN C[C@@H](CC#N)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000121123095 393949132 /nfs/dbraw/zinc/94/91/32/393949132.db2.gz SMSODAYZOXPDLB-CMPLNLGQSA-N 0 0 299.296 2.761 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccn(-c2ccccc2)n1 ZINC000124905153 393999030 /nfs/dbraw/zinc/99/90/30/393999030.db2.gz LMJBFNYYIAMBPB-BBRMVZONSA-N 0 0 266.348 2.654 10 30 CFEERN C[C@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000439445685 394115298 /nfs/dbraw/zinc/11/52/98/394115298.db2.gz CVLNRGGCLBTCII-QWRGUYRKSA-N 0 0 264.756 2.821 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1Cl ZINC000360333731 394149222 /nfs/dbraw/zinc/14/92/22/394149222.db2.gz AYWSLONYHNVCCQ-YPMHNXCESA-N 0 0 292.766 2.917 10 30 CFEERN C[C@H]1OCC[C@@H]1Nc1cccc(Br)c1C#N ZINC000165003076 394369419 /nfs/dbraw/zinc/36/94/19/394369419.db2.gz RVKUCSZZXDVCCS-KCJUWKMLSA-N 0 0 281.153 2.910 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000178574957 394389305 /nfs/dbraw/zinc/38/93/05/394389305.db2.gz HCPRAENPLDMPCT-HIFRSBDPSA-N 0 0 287.363 2.539 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000178556537 394389341 /nfs/dbraw/zinc/38/93/41/394389341.db2.gz RVLOVZJFCXLQNQ-GHMZBOCLSA-N 0 0 273.336 2.508 10 30 CFEERN CC(C)(C)OC(=O)N1CCC[C@]1(C#N)C(F)(F)F ZINC000616582086 542941247 /nfs/dbraw/zinc/94/12/47/542941247.db2.gz AUFPHIFJLZFZIZ-JTQLQIEISA-N 0 0 264.247 2.842 10 30 CFEERN C=C[C@@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000306027990 413077596 /nfs/dbraw/zinc/07/75/96/413077596.db2.gz PEEJWJXVXZEEEP-HNNXBMFYSA-N 0 0 259.349 2.580 10 30 CFEERN Cc1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1 ZINC000100141460 292042052 /nfs/dbraw/zinc/04/20/52/292042052.db2.gz LBPXERJAGSIVOP-PTNGSMBKSA-N 0 0 259.330 2.803 10 30 CFEERN C=C(C)CC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000405546993 543020850 /nfs/dbraw/zinc/02/08/50/543020850.db2.gz PXQSLZSWFXINBV-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=C(CC)CC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405725141 543023135 /nfs/dbraw/zinc/02/31/35/543023135.db2.gz QZVIUHNYHWWCOL-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC(=O)C[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405904445 543026223 /nfs/dbraw/zinc/02/62/23/543026223.db2.gz YCLMRPHNHCDJAX-JQWIXIFHSA-N 0 0 253.342 2.825 10 30 CFEERN CC#CCNc1ccc(I)cc1 ZINC000051663103 397589852 /nfs/dbraw/zinc/58/98/52/397589852.db2.gz KKXKUEIKKCJAFG-UHFFFAOYSA-N 0 0 271.101 2.726 10 30 CFEERN C#Cc1ccc(-c2ccc([Si](C)(C)C)cn2)nc1 ZINC000238808793 397627142 /nfs/dbraw/zinc/62/71/42/397627142.db2.gz BKFNTFQTYGNUQM-UHFFFAOYSA-N 0 0 252.393 2.670 10 30 CFEERN CC(C)(C#N)CNc1ncc(Br)s1 ZINC000306512127 397641276 /nfs/dbraw/zinc/64/12/76/397641276.db2.gz OVOSHXOYIUWJSX-UHFFFAOYSA-N 0 0 260.160 2.867 10 30 CFEERN S=C(N/N=C/c1cccs1)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322247 296596565 /nfs/dbraw/zinc/59/65/65/296596565.db2.gz TVHNQUQTSHYCFQ-CYAMTDFUSA-N 0 0 277.418 2.511 10 30 CFEERN O=C(/C=N/N1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000002013374 169767853 /nfs/dbraw/zinc/76/78/53/169767853.db2.gz GVBFNOVHUXININ-XMHGGMMESA-N 0 0 294.354 2.854 10 30 CFEERN C=CCNC(=S)N=NCc1ccc(OC(C)C)cc1 ZINC000005237117 170078496 /nfs/dbraw/zinc/07/84/96/170078496.db2.gz WTQPDKOXRAACHG-MHWRWJLKSA-N 0 0 277.393 2.869 10 30 CFEERN CCOc1ccc(CN=Nc2ccccn2)cc1OC ZINC000005694467 170129891 /nfs/dbraw/zinc/12/98/91/170129891.db2.gz SNJYQXRZBREKRP-GZTJUZNOSA-N 0 0 271.320 2.935 10 30 CFEERN S=C1N=NC(c2ccccc2)N1N=Cc1ccncc1 ZINC000005875071 170149524 /nfs/dbraw/zinc/14/95/24/170149524.db2.gz YPAVKPQJTHEPIE-YBEGLDIGSA-N 0 0 281.344 2.511 10 30 CFEERN COc1ccc(OC(=O)C(C)C)c([C@@H]2O[C@@H]2C)c1 ZINC000006031699 170169633 /nfs/dbraw/zinc/16/96/33/170169633.db2.gz WSPQJFZGVXTTPB-NOZJJQNGSA-N 0 0 250.294 2.716 10 30 CFEERN CN1c2ccccc2Oc2ccc(C#N)cc2C1=O ZINC000006481609 170204787 /nfs/dbraw/zinc/20/47/87/170204787.db2.gz NPEWZBSVIATWLX-UHFFFAOYSA-N 0 0 250.257 2.941 10 30 CFEERN CC(C)c1nc(C#N)c(N=NCc2ccc(O)cc2)o1 ZINC000006633883 170220287 /nfs/dbraw/zinc/22/02/87/170220287.db2.gz FTZMVMADCHKSCJ-LZYBPNLTSA-N 0 0 270.292 2.821 10 30 CFEERN CC(C)CNC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl ZINC000008256765 170327598 /nfs/dbraw/zinc/32/75/98/170327598.db2.gz RLBICZQNPCUSJX-JTQLQIEISA-N 0 0 280.755 2.751 10 30 CFEERN COCCNC(=S)NN=C(C)c1cc2ccccc2o1 ZINC000008691219 170345696 /nfs/dbraw/zinc/34/56/96/170345696.db2.gz CUPOKIULPKAAAQ-MHWRWJLKSA-N 0 0 291.376 2.679 10 30 CFEERN CCOC(=O)c1c(O)csc1Nc1ccc(C)c(C)c1 ZINC000008702642 170347684 /nfs/dbraw/zinc/34/76/84/170347684.db2.gz YHBVDSPFRLTLIU-UHFFFAOYSA-N 0 0 291.372 2.806 10 30 CFEERN CC(C)/C=C1\C(=O)C=C[C@H]1NC(=O)c1ccccc1 ZINC000009132817 170364147 /nfs/dbraw/zinc/36/41/47/170364147.db2.gz MZEXYGQEHJETMM-QLKUMGTLSA-N 0 0 255.317 2.506 10 30 CFEERN C/N=C1/c2ccccc2CN1c1cccc(C(=O)OC)c1 ZINC000013115915 170533006 /nfs/dbraw/zinc/53/30/06/170533006.db2.gz KCBFTSOINRMBJZ-VLGSPTGOSA-N 0 0 280.327 2.870 10 30 CFEERN C/C(=N\O)c1ccccc1NC(=O)c1ccc(C)nc1 ZINC000019470894 170804942 /nfs/dbraw/zinc/80/49/42/170804942.db2.gz DOCHZCDGAGVTBO-WOJGMQOQSA-N 0 0 269.304 2.841 10 30 CFEERN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1cccc(C#N)c1 ZINC000019481191 170809909 /nfs/dbraw/zinc/80/99/09/170809909.db2.gz LEMWGCGWFIKAAY-VXGBXAGGSA-N 0 0 278.377 2.510 10 30 CFEERN CC[C@H]1CCCC[C@@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019483036 170810693 /nfs/dbraw/zinc/81/06/93/170810693.db2.gz RNBFKFSBZHPKLP-JQWIXIFHSA-N 0 0 263.341 2.524 10 30 CFEERN Cc1cccc(Oc2ccc(/C(N)=N/O)cn2)c1C ZINC000019502866 170815641 /nfs/dbraw/zinc/81/56/41/170815641.db2.gz JISRGIPJQJOPLD-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN Cc1cc(C)cc(OCc2ccc(/C(N)=N/O)cc2)c1 ZINC000019808348 170877318 /nfs/dbraw/zinc/87/73/18/170877318.db2.gz IYEMUVMQXKMMJO-UHFFFAOYSA-N 0 0 270.332 2.977 10 30 CFEERN O=C(Cc1ccc2ccccc2c1)N1CCC(=NO)CC1 ZINC000019809017 170877603 /nfs/dbraw/zinc/87/76/03/170877603.db2.gz RDHDBIYICIRRFX-UHFFFAOYSA-N 0 0 282.343 2.835 10 30 CFEERN CC(C)CCOCCC(=O)Nc1cccc(C#N)c1 ZINC000019847302 170896666 /nfs/dbraw/zinc/89/66/66/170896666.db2.gz LHVJOSGXZSYUGB-UHFFFAOYSA-N 0 0 260.337 2.950 10 30 CFEERN CC(C)C[C@@H](C)OCC(=O)Nc1ccc(C#N)cc1 ZINC000019847492 170896731 /nfs/dbraw/zinc/89/67/31/170896731.db2.gz NQZZMVZDMZNTEP-GFCCVEGCSA-N 0 0 260.337 2.948 10 30 CFEERN COc1cc(CNc2cccc(C#N)c2)ccc1O ZINC000019921899 170929228 /nfs/dbraw/zinc/92/92/28/170929228.db2.gz LFJGLCKOUCGZSN-UHFFFAOYSA-N 0 0 254.289 2.885 10 30 CFEERN N#C[C@H](NC1CC1)c1ccc(Br)cc1 ZINC000020176231 171042417 /nfs/dbraw/zinc/04/24/17/171042417.db2.gz NNJHUMSWDJRGOL-NSHDSACASA-N 0 0 251.127 2.766 10 30 CFEERN COCCN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177035 171043111 /nfs/dbraw/zinc/04/31/11/171043111.db2.gz YTLXREAIVNIIIY-NSHDSACASA-N 0 0 259.136 2.794 10 30 CFEERN CC(C)CCNC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363368 171162320 /nfs/dbraw/zinc/16/23/20/171162320.db2.gz RLDSTFXCBJDTBE-ZDUSSCGKSA-N 0 0 274.364 2.682 10 30 CFEERN C#CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366422 171165321 /nfs/dbraw/zinc/16/53/21/171165321.db2.gz YRLCWMOIOHZCLK-QMMMGPOBSA-N 0 0 271.147 2.543 10 30 CFEERN CN(Cc1ccc(C#N)cc1F)c1ccc(N)cc1 ZINC000020374578 171170068 /nfs/dbraw/zinc/17/00/68/171170068.db2.gz RNJIMSSSXSWFNS-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000021574367 171317334 /nfs/dbraw/zinc/31/73/34/171317334.db2.gz BVKVVSDMXJHVDF-UHFFFAOYSA-N 0 0 295.129 2.851 10 30 CFEERN COc1cc(C#N)ccc1OCc1ccc(N)cc1 ZINC000022210538 171373529 /nfs/dbraw/zinc/37/35/29/171373529.db2.gz KNBYPJPOUONYHK-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN CNc1oc(COc2cccc(Cl)c2)nc1C#N ZINC000032675298 171744102 /nfs/dbraw/zinc/74/41/02/171744102.db2.gz GZLWARGCGYKTOI-UHFFFAOYSA-N 0 0 263.684 2.820 10 30 CFEERN O=C1C=CO[C@@H](c2ccc(Br)cc2)C1 ZINC000034633243 171846246 /nfs/dbraw/zinc/84/62/46/171846246.db2.gz MPEGIABUNUFOLD-LLVKDONJSA-N 0 0 253.095 2.993 10 30 CFEERN N#Cc1ccc(C(=O)COc2ccc3c(c2)OCO3)cc1 ZINC000035224855 172069704 /nfs/dbraw/zinc/06/97/04/172069704.db2.gz WXXPYLFNSPJDFN-UHFFFAOYSA-N 0 0 281.267 2.549 10 30 CFEERN N#CCCn1nc(-c2ccc(Br)cc2)cc1N ZINC000035277024 172097026 /nfs/dbraw/zinc/09/70/26/172097026.db2.gz ZBLOCJOQYASQPD-UHFFFAOYSA-N 0 0 291.152 2.808 10 30 CFEERN COc1ccc(CNc2ccc(C#N)cc2N)cc1 ZINC000035674348 172345063 /nfs/dbraw/zinc/34/50/63/172345063.db2.gz CBKWMLCCQPCFLY-UHFFFAOYSA-N 0 0 253.305 2.761 10 30 CFEERN CN(CCC#N)C(=O)CCSc1cc(F)ccc1F ZINC000035676286 172346876 /nfs/dbraw/zinc/34/68/76/172346876.db2.gz XQUYJOUXJRRGAJ-UHFFFAOYSA-N 0 0 284.331 2.819 10 30 CFEERN N#CC1(S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000035676804 172348052 /nfs/dbraw/zinc/34/80/52/172348052.db2.gz HMYQQBRMJPFNLZ-UHFFFAOYSA-N 0 0 285.315 2.965 10 30 CFEERN N#Cc1ccc(OCCOc2ccc(N)cc2)cc1 ZINC000036671747 172649030 /nfs/dbraw/zinc/64/90/30/172649030.db2.gz DSHNJCIBTGSJGT-UHFFFAOYSA-N 0 0 254.289 2.598 10 30 CFEERN CN(c1ccc(/C(N)=N/O)cc1F)C1CCCCC1 ZINC000036887651 172782663 /nfs/dbraw/zinc/78/26/63/172782663.db2.gz YJRAHHPOCHNZQU-UHFFFAOYSA-N 0 0 265.332 2.689 10 30 CFEERN CC(C)N[C@@]1(C#N)CCCN(Cc2ccccc2)C1 ZINC000037329897 173131090 /nfs/dbraw/zinc/13/10/90/173131090.db2.gz BLHUAZPPOLKVEC-MRXNPFEDSA-N 0 0 257.381 2.543 10 30 CFEERN COCCC(=O)[C@H](C#N)c1ccc(OC(F)F)cc1 ZINC000037345402 173143287 /nfs/dbraw/zinc/14/32/87/173143287.db2.gz XNEXQTGYIYLBBP-LLVKDONJSA-N 0 0 269.247 2.501 10 30 CFEERN Cc1c(C)n(CCc2ccccc2F)c(N)c1C#N ZINC000037352821 173145827 /nfs/dbraw/zinc/14/58/27/173145827.db2.gz QTGVNQDSDBKLHV-UHFFFAOYSA-N 0 0 257.312 2.941 10 30 CFEERN CC(C)(C)CC(=O)Nc1ccc(F)cc1C#CCO ZINC000037549421 173267360 /nfs/dbraw/zinc/26/73/60/173267360.db2.gz DMNRNWHGXJIGFI-UHFFFAOYSA-N 0 0 263.312 2.544 10 30 CFEERN N#Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1 ZINC000037748995 173671576 /nfs/dbraw/zinc/67/15/76/173671576.db2.gz ZKJGKLYJJUWWTQ-UHFFFAOYSA-N 0 0 275.311 2.970 10 30 CFEERN Cc1cc(C#N)ccc1-n1cc(Br)cn1 ZINC000038054251 174065627 /nfs/dbraw/zinc/06/56/27/174065627.db2.gz VAOSOWUMGWBSOI-UHFFFAOYSA-N 0 0 262.110 2.815 10 30 CFEERN CC[C@@H](C)N[C@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000038064176 174075474 /nfs/dbraw/zinc/07/54/74/174075474.db2.gz PBTAAWYTIVXNBP-ZBFHGGJFSA-N 0 0 257.381 2.543 10 30 CFEERN COc1ccc(C(=O)[C@@H](C)C#N)cc1Br ZINC000038074169 174084075 /nfs/dbraw/zinc/08/40/75/174084075.db2.gz LTXHFVMAZVIZRR-ZETCQYMHSA-N 0 0 268.110 2.800 10 30 CFEERN C=CC[C@@H](O)c1ccccc1I ZINC000038303610 174138804 /nfs/dbraw/zinc/13/88/04/174138804.db2.gz SHLXZUHFKYBCMY-SNVBAGLBSA-N 0 0 274.101 2.901 10 30 CFEERN CCN[C@@](C)(C#N)c1ccccc1Br ZINC000040177298 174202619 /nfs/dbraw/zinc/20/26/19/174202619.db2.gz LLQJMDCFYZLUMS-NSHDSACASA-N 0 0 253.143 2.797 10 30 CFEERN C#CCn1c(CCCCCNC(=O)C=C)nc2ccccc21 ZINC000040219567 174206922 /nfs/dbraw/zinc/20/69/22/174206922.db2.gz AXZUFTKISWIDNJ-UHFFFAOYSA-N 0 0 295.386 2.685 10 30 CFEERN Cc1sc(C(=O)Nc2cccc(C#N)c2)cc1N ZINC000040293844 174222642 /nfs/dbraw/zinc/22/26/42/174222642.db2.gz ZCBFQHCTQHHWPX-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN N#Cc1ccsc1NC(=O)c1ccc(F)c(N)c1 ZINC000040310625 174230328 /nfs/dbraw/zinc/23/03/28/174230328.db2.gz AOROAVJXESCXNH-UHFFFAOYSA-N 0 0 261.281 2.593 10 30 CFEERN N#Cc1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 ZINC000040421808 174257993 /nfs/dbraw/zinc/25/79/93/174257993.db2.gz UVZZGGDFLPFCNX-HNNXBMFYSA-N 0 0 276.295 2.605 10 30 CFEERN COc1cc(Cl)c(Cl)c(C#N)c1OC(C)=O ZINC000040546220 174324876 /nfs/dbraw/zinc/32/48/76/174324876.db2.gz NRYAJCNMVOAIKB-UHFFFAOYSA-N 0 0 260.076 2.799 10 30 CFEERN Cc1ccc(N)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000041032116 174455599 /nfs/dbraw/zinc/45/55/99/174455599.db2.gz KGTFIGYKFVIELT-GFCCVEGCSA-N 0 0 279.343 2.940 10 30 CFEERN N#Cc1cc(N)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042174175 174652572 /nfs/dbraw/zinc/65/25/72/174652572.db2.gz KQWUMDQZSVFTNZ-OPQQBVKSSA-N 0 0 255.321 2.515 10 30 CFEERN CCN(C[C@H](C)/C(N)=N/O)c1nc2ccccc2s1 ZINC000042445443 174740344 /nfs/dbraw/zinc/74/03/44/174740344.db2.gz CYEYNROAOOWOLP-VIFPVBQESA-N 0 0 278.381 2.505 10 30 CFEERN N#CCCN(c1cccc(Cl)c1CO)C1CC1 ZINC000042547590 174788159 /nfs/dbraw/zinc/78/81/59/174788159.db2.gz FHIMEURZPIBKJL-UHFFFAOYSA-N 0 0 250.729 2.715 10 30 CFEERN CCCN(CC(F)(F)F)c1ccccc1/C(N)=N/O ZINC000042766877 174869245 /nfs/dbraw/zinc/86/92/45/174869245.db2.gz UVYDMPAJNDMTPS-UHFFFAOYSA-N 0 0 275.274 2.560 10 30 CFEERN OCCC#Cc1ccccc1CN(CC(F)(F)F)C1CC1 ZINC000042780283 174876551 /nfs/dbraw/zinc/87/65/51/174876551.db2.gz JBJYYFGKXYRNOZ-UHFFFAOYSA-N 0 0 297.320 2.947 10 30 CFEERN C[C@H](N(C)C(=O)c1ccc(C#CCO)cc1)C(C)(C)C ZINC000042797317 174881277 /nfs/dbraw/zinc/88/12/77/174881277.db2.gz WNFXEHBEYKMXHD-ZDUSSCGKSA-N 0 0 273.376 2.537 10 30 CFEERN Cc1ccc(C#N)c(Sc2nnc3n2CCCCC3)n1 ZINC000043400740 175036836 /nfs/dbraw/zinc/03/68/36/175036836.db2.gz XKFDZGMMURTVHJ-UHFFFAOYSA-N 0 0 285.376 2.731 10 30 CFEERN COCCN(c1nc2c(cc1C#N)CCC2)[C@@H](C)C1CC1 ZINC000043407191 175037107 /nfs/dbraw/zinc/03/71/07/175037107.db2.gz YTNQCODNFVVFAF-LBPRGKRZSA-N 0 0 285.391 2.693 10 30 CFEERN COCCN(CC(C)C)c1nc2c(cc1C#N)CCC2 ZINC000043407081 175037159 /nfs/dbraw/zinc/03/71/59/175037159.db2.gz CSJVVBZLCQBRMG-UHFFFAOYSA-N 0 0 273.380 2.551 10 30 CFEERN CC(C)C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)[O-] ZINC000043434183 175044385 /nfs/dbraw/zinc/04/43/85/175044385.db2.gz GLABAMFRFDYQMI-SMDDNHRTSA-N 0 0 260.337 2.708 10 30 CFEERN CC(C)OC(=O)CNc1ccc(C#N)c(Cl)c1 ZINC000043446271 175048275 /nfs/dbraw/zinc/04/82/75/175048275.db2.gz NXBFNFYMDIXBSO-UHFFFAOYSA-N 0 0 252.701 2.575 10 30 CFEERN COc1ccccc1COc1ccc(C#N)cc1N ZINC000043457066 175049830 /nfs/dbraw/zinc/04/98/30/175049830.db2.gz RLBQKRANWFORBB-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN C[C@@H](C#N)Nc1cccc(I)c1 ZINC000043514767 175061676 /nfs/dbraw/zinc/06/16/76/175061676.db2.gz MALRWHAUZOLXPR-ZETCQYMHSA-N 0 0 272.089 2.615 10 30 CFEERN CC[C@@H](C#N)NCc1cccc(Br)c1 ZINC000043540925 175063792 /nfs/dbraw/zinc/06/37/92/175063792.db2.gz SOUOTZNRTZIZPF-NSHDSACASA-N 0 0 253.143 2.841 10 30 CFEERN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N)cc1F ZINC000043571351 175069030 /nfs/dbraw/zinc/06/90/30/175069030.db2.gz FRLKTTFPFPNUHG-UHFFFAOYSA-N 0 0 283.306 2.552 10 30 CFEERN CCC(CC)N(C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043581975 175069729 /nfs/dbraw/zinc/06/97/29/175069729.db2.gz DPPQDDGTELQDOY-UHFFFAOYSA-N 0 0 291.366 2.820 10 30 CFEERN CCN(C(=O)c1ccc(C#CCO)c(F)c1)C1CCCC1 ZINC000043582088 175069780 /nfs/dbraw/zinc/06/97/80/175069780.db2.gz RUTKVMHVUYASLM-UHFFFAOYSA-N 0 0 289.350 2.574 10 30 CFEERN CCN(CC(C)C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582138 175069861 /nfs/dbraw/zinc/06/98/61/175069861.db2.gz HKCHXIHNAVQTBT-UHFFFAOYSA-N 0 0 291.366 2.678 10 30 CFEERN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582283 175070017 /nfs/dbraw/zinc/07/00/17/175070017.db2.gz NNGOSAPEXXUVHA-CHWSQXEVSA-N 0 0 291.366 2.724 10 30 CFEERN CCc1ccc(C(=O)NCc2cccc(C#CCO)c2)s1 ZINC000043640327 175084832 /nfs/dbraw/zinc/08/48/32/175084832.db2.gz OOQXUGJQQPNCMM-UHFFFAOYSA-N 0 0 299.395 2.584 10 30 CFEERN OCC#Cc1ccsc1COCc1ccccc1 ZINC000043682420 175091280 /nfs/dbraw/zinc/09/12/80/175091280.db2.gz RLVPMJWWFATPBM-UHFFFAOYSA-N 0 0 258.342 2.809 10 30 CFEERN OCC#Cc1ccc(COC2CCCCC2)s1 ZINC000043682410 175091303 /nfs/dbraw/zinc/09/13/03/175091303.db2.gz VXXAVNXBPPBLSW-UHFFFAOYSA-N 0 0 250.363 2.941 10 30 CFEERN Cc1ccc(OCc2sccc2C#CCO)cc1 ZINC000043682628 175091307 /nfs/dbraw/zinc/09/13/07/175091307.db2.gz MGOZWGLYEOLWKE-UHFFFAOYSA-N 0 0 258.342 2.979 10 30 CFEERN OCCC#Cc1ccsc1CSc1ncccn1 ZINC000043683295 175091345 /nfs/dbraw/zinc/09/13/45/175091345.db2.gz JYFMZCICJXDARZ-UHFFFAOYSA-N 0 0 276.386 2.564 10 30 CFEERN COc1ccc(OCc2cc(C#CCO)cs2)cc1 ZINC000043699044 175096812 /nfs/dbraw/zinc/09/68/12/175096812.db2.gz UADZIJQHNNHUHM-UHFFFAOYSA-N 0 0 274.341 2.680 10 30 CFEERN Cc1nc2ccccc2n1Cc1cc(C#CCO)cs1 ZINC000043698845 175096935 /nfs/dbraw/zinc/09/69/35/175096935.db2.gz XGXVUKXIUGFZJA-UHFFFAOYSA-N 0 0 282.368 2.798 10 30 CFEERN OCCC#Cc1csc(CSc2nncs2)c1 ZINC000043699635 175097425 /nfs/dbraw/zinc/09/74/25/175097425.db2.gz MZGUBXYGMBADAQ-UHFFFAOYSA-N 0 0 282.415 2.626 10 30 CFEERN Cc1cc(NC(=O)OC(C)C)ccc1C#CCCO ZINC000044240952 175156061 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ZINC000230601354 623285929 /nfs/dbraw/zinc/28/59/29/623285929.db2.gz QZNUDSBBGYTOAT-UHFFFAOYSA-N 0 0 281.153 2.910 10 30 CFEERN N#C[C@H](C(=O)[C@H]1C[C@H]1C1CCCCC1)C(=O)N1CCCC1 ZINC000173937158 623377779 /nfs/dbraw/zinc/37/77/79/623377779.db2.gz YCFIWPRTERPCCF-SOUVJXGZSA-N 0 0 288.391 2.534 10 30 CFEERN CC#CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000232631973 623431358 /nfs/dbraw/zinc/43/13/58/623431358.db2.gz GNPHMTATYQOPHH-SECBINFHSA-N 0 0 266.138 2.650 10 30 CFEERN C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC1 ZINC000180073472 624993146 /nfs/dbraw/zinc/99/31/46/624993146.db2.gz RNCSSJJRYKGVEZ-OCCSQVGLSA-N 0 0 285.343 2.824 10 30 CFEERN C#CCCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181362140 625125922 /nfs/dbraw/zinc/12/59/22/625125922.db2.gz QHDRIPXRVBCNRY-XJKSGUPXSA-N 0 0 270.376 2.941 10 30 CFEERN C=CCCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000103647781 630450586 /nfs/dbraw/zinc/45/05/86/630450586.db2.gz HMKDITZHGDPXIR-ZFWWWQNUSA-N 0 0 289.375 2.950 10 30 CFEERN CCOC[C@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000190769622 650457688 /nfs/dbraw/zinc/45/76/88/650457688.db2.gz HDLJFYSFFZJEEL-LBPRGKRZSA-N 0 0 273.332 2.824 10 30 CFEERN C#CCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000190996656 650473450 /nfs/dbraw/zinc/47/34/50/650473450.db2.gz WYZSPCYIFGERCJ-SECBINFHSA-N 0 0 286.158 2.852 10 30 CFEERN CCOc1ccccc1[C@H](C)OC(=O)CSCC#N ZINC000194993884 650735260 /nfs/dbraw/zinc/73/52/60/650735260.db2.gz PSIKFZPTXUHXNJ-NSHDSACASA-N 0 0 279.361 2.946 10 30 CFEERN CCCCCCCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000125405984 642621205 /nfs/dbraw/zinc/62/12/05/642621205.db2.gz MBKIGOIUPZYFGL-OAHLLOKOSA-N 0 0 257.418 2.820 10 30 CFEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)n1-c1ccc(F)cc1 ZINC000125819702 642796051 /nfs/dbraw/zinc/79/60/51/642796051.db2.gz DPXJBMDKGPPJAT-SNVBAGLBSA-N 0 0 285.322 2.875 10 30 CFEERN COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C#N)C(C)C)c1 ZINC000245468443 650816661 /nfs/dbraw/zinc/81/66/61/650816661.db2.gz KSXGZLDXQBSLOA-KKUMJFAQSA-N 0 0 273.332 2.890 10 30 CFEERN CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247076286 650896444 /nfs/dbraw/zinc/89/64/44/650896444.db2.gz XFNYDYBMAJRQTL-OUAUKWLOSA-N 0 0 265.259 2.914 10 30 CFEERN C#CCSCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000130392870 645490678 /nfs/dbraw/zinc/49/06/78/645490678.db2.gz COOZHUDIGPLNEB-RYUDHWBXSA-N 0 0 295.354 2.551 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@+]1(C)[O-] ZINC000248086901 717164363 /nfs/dbraw/zinc/16/43/63/717164363.db2.gz WQTJWODFSMCWCC-GUYCJALGSA-N 0 0 262.353 2.739 10 30 CFEERN Cc1ccn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=N)c1 ZINC000004125148 230368644 /nfs/dbraw/zinc/36/86/44/230368644.db2.gz QMIISJGVZGNLPQ-UHFFFAOYSA-O 0 0 285.411 2.650 10 30 CFEERN Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2C#N)c(C)c1 ZINC000595690438 349701849 /nfs/dbraw/zinc/70/18/49/349701849.db2.gz RNNLVYWCGFEALO-HOCLYGCPSA-N 0 0 257.381 2.913 10 30 CFEERN N#Cc1cnnc(N2CCCC[C@@H]2c2nccs2)c1 ZINC000596107017 349796597 /nfs/dbraw/zinc/79/65/97/349796597.db2.gz UCMYZSQYXHDGJS-LLVKDONJSA-N 0 0 271.349 2.536 10 30 CFEERN C[C@]1(CO)CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000301778203 136439688 /nfs/dbraw/zinc/43/96/88/136439688.db2.gz QBKPGGNVBZLKSO-AWEZNQCLSA-N 0 0 264.756 2.810 10 30 CFEERN N#CCCC(=O)c1ccc(I)cc1 ZINC000002392822 346207117 /nfs/dbraw/zinc/20/71/17/346207117.db2.gz ZAHVJWLCDWBPKM-UHFFFAOYSA-N 0 0 285.084 2.778 10 30 CFEERN C=CC[N@H+]1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000005426602 346211024 /nfs/dbraw/zinc/21/10/24/346211024.db2.gz XXJGKEKTYNBRRE-UHOSZYNNSA-N 0 0 297.398 2.816 10 30 CFEERN C[C@H](NNC(=S)NCc1ccccc1)c1ccccn1 ZINC000027308685 346268515 /nfs/dbraw/zinc/26/85/15/346268515.db2.gz UHMVGHOTCZREPE-LBPRGKRZSA-N 0 0 286.404 2.723 10 30 CFEERN N#Cc1cc(F)cc(-n2ccc(-c3ccccn3)n2)c1 ZINC000034321636 346316076 /nfs/dbraw/zinc/31/60/76/346316076.db2.gz AZFMCBWLZFLQQK-UHFFFAOYSA-N 0 0 264.263 2.945 10 30 CFEERN C=CCONC(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000034459567 346317574 /nfs/dbraw/zinc/31/75/74/346317574.db2.gz MYSHCWODYAWQSA-UHFFFAOYSA-N 0 0 261.321 2.763 10 30 CFEERN Cc1ccc(S(=O)(=O)NC2(C#N)CCC(C)CC2)cc1 ZINC000040364652 346346031 /nfs/dbraw/zinc/34/60/31/346346031.db2.gz KCSFBBHEAIKUOR-UHFFFAOYSA-N 0 0 292.404 2.746 10 30 CFEERN C#CCNc1ccc([S@@](=O)c2ccccc2)cc1 ZINC000038999888 346340302 /nfs/dbraw/zinc/34/03/02/346340302.db2.gz LQUPZFXHYJTOQU-GOSISDBHSA-N 0 0 255.342 2.898 10 30 CFEERN CCOC(OCC)n1c(CO)cc2cc(C#N)ccc21 ZINC000039082299 346341309 /nfs/dbraw/zinc/34/13/09/346341309.db2.gz DHXSWZCCNAWCPJ-UHFFFAOYSA-N 0 0 274.320 2.534 10 30 CFEERN C=C(Cl)CN(C)c1ccc2c(c1)CCN2C(C)=O ZINC000039081036 346341645 /nfs/dbraw/zinc/34/16/45/346341645.db2.gz DQJJOGPSSLDLGV-UHFFFAOYSA-N 0 0 264.756 2.784 10 30 CFEERN COc1cccc(/C=N/NC2=NOCc3ccccc32)c1 ZINC000039395189 346343401 /nfs/dbraw/zinc/34/34/01/346343401.db2.gz YJKZIYSSTOVZBH-LICLKQGHSA-N 0 0 281.315 2.511 10 30 CFEERN COc1ccc(C(=O)c2c(N)sc3c2CCC3)c(C#N)c1 ZINC000098113882 185688359 /nfs/dbraw/zinc/68/83/59/185688359.db2.gz NVSALYATSGTFDN-UHFFFAOYSA-N 0 0 298.367 2.930 10 30 CFEERN C[C@@H](C#N)Oc1ccc(C=O)cc1Br ZINC000057406868 346626788 /nfs/dbraw/zinc/62/67/88/346626788.db2.gz OIVKIPUDUWAOGL-ZETCQYMHSA-N 0 0 254.083 2.552 10 30 CFEERN Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2C#N)cc1C ZINC000061888498 346686043 /nfs/dbraw/zinc/68/60/43/346686043.db2.gz VZIUQFHCCQDXLW-GJZGRUSLSA-N 0 0 256.349 2.654 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078371830 347247661 /nfs/dbraw/zinc/24/76/61/347247661.db2.gz ZRDCEVXBQJVTNX-VXGBXAGGSA-N 0 0 269.304 2.869 10 30 CFEERN CC(C)CCO[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC000081027522 347398171 /nfs/dbraw/zinc/39/81/71/347398171.db2.gz DHSCMIXPKTUFJU-HNNXBMFYSA-N 0 0 259.353 2.595 10 30 CFEERN N#Cc1c(Cl)nsc1N1CCO[C@H]2CCCC[C@H]21 ZINC000092666144 347638949 /nfs/dbraw/zinc/63/89/49/347638949.db2.gz YEOVKYWIGAUQQB-ZJUUUORDSA-N 0 0 283.784 2.816 10 30 CFEERN N#Cc1c(Cl)nsc1N1CCO[C@@H]2CCCC[C@H]21 ZINC000092666141 347639207 /nfs/dbraw/zinc/63/92/07/347639207.db2.gz YEOVKYWIGAUQQB-NXEZZACHSA-N 0 0 283.784 2.816 10 30 CFEERN CCCCCCCCc1c(C)nc2ncnn2c1N ZINC000101704666 347715980 /nfs/dbraw/zinc/71/59/80/347715980.db2.gz JMBYFCMNFXBELT-UHFFFAOYSA-N 0 0 261.373 2.918 10 30 CFEERN CC#CCOc1ncnc(N2C[C@H](C)C[C@H](C)C2)c1F ZINC000113078120 347766428 /nfs/dbraw/zinc/76/64/28/347766428.db2.gz XVSSMEWAXFOWCI-TXEJJXNPSA-N 0 0 277.343 2.500 10 30 CFEERN N#Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000107545811 347735888 /nfs/dbraw/zinc/73/58/88/347735888.db2.gz JCYJLZKZJXUGGH-QWRGUYRKSA-N 0 0 297.280 2.804 10 30 CFEERN C#CC[C@@H](NN)c1cccc(Br)c1Cl ZINC000126701816 347836351 /nfs/dbraw/zinc/83/63/51/347836351.db2.gz JASOSZQBJFYVGC-SECBINFHSA-N 0 0 273.561 2.630 10 30 CFEERN CO/C=N/c1c(-c2ccccc2)c[nH]c1C(=O)OC ZINC000103599798 185850938 /nfs/dbraw/zinc/85/09/38/185850938.db2.gz LSPSITWBSBCKEL-CXUHLZMHSA-N 0 0 258.277 2.775 10 30 CFEERN CC#CCC(=O)c1cc(Br)ccc1N ZINC000132743564 347887219 /nfs/dbraw/zinc/88/72/19/347887219.db2.gz PXDZQJQVXZBYAV-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135122212 347904569 /nfs/dbraw/zinc/90/45/69/347904569.db2.gz UZILABDYDJJIEC-ZBFHGGJFSA-N 0 0 274.364 2.664 10 30 CFEERN COC(=O)c1ccc2c(c1)[C@]1(CO1)c1ccccc1CO2 ZINC000136240275 347909226 /nfs/dbraw/zinc/90/92/26/347909226.db2.gz ZSYADUXYZGPDQP-KRWDZBQOSA-N 0 0 282.295 2.639 10 30 CFEERN C=CCc1c2c(ccc1O)NC[C@H]2CCNC(=O)CCC ZINC000139502643 347920795 /nfs/dbraw/zinc/92/07/95/347920795.db2.gz HOBWWNZRZJWSNQ-GFCCVEGCSA-N 0 0 288.391 2.936 10 30 CFEERN C=C[C@H](NN)c1cccc(Br)c1Cl ZINC000158443955 348006893 /nfs/dbraw/zinc/00/68/93/348006893.db2.gz MIZUSEAGMAAVJO-QMMMGPOBSA-N 0 0 261.550 2.793 10 30 CFEERN C=C(C)[C@H](NN)c1ccc(Br)c(F)c1 ZINC000158841091 348009591 /nfs/dbraw/zinc/00/95/91/348009591.db2.gz QOXWHSDEKWMHHO-JTQLQIEISA-N 0 0 259.122 2.669 10 30 CFEERN O=C(c1ccc(Br)cn1)C1=COCCC1 ZINC000163560264 348033969 /nfs/dbraw/zinc/03/39/69/348033969.db2.gz CNYRYVPBUJPRHL-UHFFFAOYSA-N 0 0 268.110 2.721 10 30 CFEERN CC(C)(C)Cc1ccc(N2CC[C@@H](O)C2)c(C#N)c1 ZINC000166435640 348042583 /nfs/dbraw/zinc/04/25/83/348042583.db2.gz GKAPJPPVZIMMSX-CQSZACIVSA-N 0 0 258.365 2.718 10 30 CFEERN CC#CCC(=O)c1ccc(I)cc1 ZINC000167888657 348046989 /nfs/dbraw/zinc/04/69/89/348046989.db2.gz LZZXDUFVEYSPAR-UHFFFAOYSA-N 0 0 284.096 2.887 10 30 CFEERN N#Cc1ccc(SC2COC2)c(Br)c1 ZINC000169212277 348049815 /nfs/dbraw/zinc/04/98/15/348049815.db2.gz ANNPOWSZDPQLHX-UHFFFAOYSA-N 0 0 270.151 2.812 10 30 CFEERN CS(=O)(=O)OCc1c(Cl)ccc2ccccc21 ZINC000218394045 348166717 /nfs/dbraw/zinc/16/67/17/348166717.db2.gz MCAXKUYGZDRZHF-UHFFFAOYSA-N 0 0 270.737 2.969 10 30 CFEERN CCN[C@@H](C#N)c1ccc(F)cc1Br ZINC000233548989 348217300 /nfs/dbraw/zinc/21/73/00/348217300.db2.gz VTNQYXAVXHGNMJ-JTQLQIEISA-N 0 0 257.106 2.762 10 30 CFEERN C#C[C@H](NC)c1cc(Cl)ccc1Br ZINC000234392420 348220386 /nfs/dbraw/zinc/22/03/86/348220386.db2.gz OQBBMEZYWSOENG-JTQLQIEISA-N 0 0 258.546 2.996 10 30 CFEERN COc1c(N)c(C#N)sc1NCc1ccccc1 ZINC000234816632 348223392 /nfs/dbraw/zinc/22/33/92/348223392.db2.gz SYBGWLBVUXESRG-UHFFFAOYSA-N 0 0 259.334 2.823 10 30 CFEERN C[C@@H](C#N)C(=O)c1cccc(Br)c1F ZINC000235072540 348224157 /nfs/dbraw/zinc/22/41/57/348224157.db2.gz QEGRBXOUINIIMV-LURJTMIESA-N 0 0 256.074 2.931 10 30 CFEERN C=C(C)CNc1ncnc(Cl)c1Br ZINC000229341701 348201009 /nfs/dbraw/zinc/20/10/09/348201009.db2.gz WQJJHWYUBANYBO-UHFFFAOYSA-N 0 0 262.538 2.881 10 30 CFEERN C#CCCOc1ccc(C#N)cc1Br ZINC000232484273 348212121 /nfs/dbraw/zinc/21/21/21/348212121.db2.gz KQUUOLABJHVGIS-UHFFFAOYSA-N 0 0 250.095 2.723 10 30 CFEERN C=C(C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc21 ZINC000005158381 290849377 /nfs/dbraw/zinc/84/93/77/290849377.db2.gz RTUPRHIHXSAWDP-LBPRGKRZSA-N 0 0 286.283 2.855 10 30 biogenic,in-vitro CFEERN N#Cc1cnc(Br)c(OC(F)(F)F)c1 ZINC000238526312 348246528 /nfs/dbraw/zinc/24/65/28/348246528.db2.gz MTIGOKWWDPPJJM-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN C[C@H](NC(=O)OC(C)(C)C)c1ccc(/C=N/NO)cc1 ZINC000238475020 348246600 /nfs/dbraw/zinc/24/66/00/348246600.db2.gz LFOJJGWTUDVVSA-CNOAHFENSA-N 0 0 279.340 2.585 10 30 CFEERN N#CCc1c(Br)ccnc1OC(F)(F)F ZINC000238549059 348247363 /nfs/dbraw/zinc/24/73/63/348247363.db2.gz UZGHLENNVTVENO-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1cc(Br)cnc1OC(F)(F)F ZINC000238547254 348247386 /nfs/dbraw/zinc/24/73/86/348247386.db2.gz NEZQYGITKNHOSJ-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN C=C[C@H](NN)c1ccc(Cl)cc1Br ZINC000236283842 348232764 /nfs/dbraw/zinc/23/27/64/348232764.db2.gz FYYKKUKCZYSQJD-VIFPVBQESA-N 0 0 261.550 2.793 10 30 CFEERN C#C[C@@H](Nc1ccncc1Br)C(C)C ZINC000300823207 348370230 /nfs/dbraw/zinc/37/02/30/348370230.db2.gz BGBPEBZHFJXNOD-SNVBAGLBSA-N 0 0 253.143 2.914 10 30 CFEERN C#C[C@@H](NCC)c1sccc1I ZINC000306538468 348388779 /nfs/dbraw/zinc/38/87/79/348388779.db2.gz SQMRIHONTCEJHN-MRVPVSSYSA-N 0 0 291.157 2.637 10 30 CFEERN N#Cc1ccc(Br)c(C(F)(F)F)n1 ZINC000306815825 348393339 /nfs/dbraw/zinc/39/33/39/348393339.db2.gz DFQIEFDNWUSQBD-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN Cc1cc(C)cc(NC(=O)C#CBr)c1 ZINC000307172579 348396854 /nfs/dbraw/zinc/39/68/54/348396854.db2.gz PUJIUYBDKMYJGJ-UHFFFAOYSA-N 0 0 252.111 2.598 10 30 CFEERN CC(C)(C)[S@@](=O)/N=C/c1cccc(Br)n1 ZINC000308743740 348405068 /nfs/dbraw/zinc/40/50/68/348405068.db2.gz XKULJGMUNKDUEX-CUXKMMBLSA-N 0 0 289.198 2.725 10 30 CFEERN CC(C)C1CCC(C#N)([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000087959965 179529019 /nfs/dbraw/zinc/52/90/19/179529019.db2.gz IXWJWBXCYMUMCQ-ROKHWSDSSA-N 0 0 269.410 2.777 10 30 CFEERN Cc1cc(C#N)cc(N[C@@H]2CNc3ccccc3C2)n1 ZINC000404459137 348591989 /nfs/dbraw/zinc/59/19/89/348591989.db2.gz RSKFFCNWSCVLMM-AWEZNQCLSA-N 0 0 264.332 2.710 10 30 CFEERN C=CC[C@H](C#N)Cc1cc(OC)c(OC)c(OC)c1 ZINC000584595909 348683645 /nfs/dbraw/zinc/68/36/45/348683645.db2.gz KQAGHMXFXFTHSL-NSHDSACASA-N 0 0 261.321 2.971 10 30 CFEERN Cc1nn(CCCc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-] ZINC000584599226 348685033 /nfs/dbraw/zinc/68/50/33/348685033.db2.gz YBKNPPVOQVFXQS-UHFFFAOYSA-N 0 0 284.319 2.913 10 30 CFEERN C=C(C)CO[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000584603252 348686230 /nfs/dbraw/zinc/68/62/30/348686230.db2.gz UFNPUQWFXZJYMO-GFCCVEGCSA-N 0 0 294.284 2.734 10 30 CFEERN O=C1C=C(N2CCCCCC2)c2ccccc2C1=O ZINC000584614618 348690723 /nfs/dbraw/zinc/69/07/23/348690723.db2.gz YIIAZASFBBFEGQ-UHFFFAOYSA-N 0 0 255.317 2.669 10 30 CFEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(F)cc2)c1 ZINC000584618708 348691535 /nfs/dbraw/zinc/69/15/35/348691535.db2.gz MVINZVDTJWGMAH-UHFFFAOYSA-N 0 0 279.274 2.945 10 30 CFEERN N#C[C@H]1CN(Cc2ccccc2)CCN1c1ccccc1 ZINC000584627062 348694715 /nfs/dbraw/zinc/69/47/15/348694715.db2.gz CLDJKCXCEJHCBH-SFHVURJKSA-N 0 0 277.371 2.901 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cncc(Cl)n1 ZINC000584628200 348694925 /nfs/dbraw/zinc/69/49/25/348694925.db2.gz AMRVWCUZJVVHDO-OLZOCXBDSA-N 0 0 287.750 2.903 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1cccc(F)n1 ZINC000584629092 348695217 /nfs/dbraw/zinc/69/52/17/348695217.db2.gz ASLNWABHXXZTLM-KBPBESRZSA-N 0 0 270.307 2.994 10 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264.133 2.957 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1ccncc1Br ZINC000599417312 350433737 /nfs/dbraw/zinc/43/37/37/350433737.db2.gz VLMRTMGPLFLYHZ-SKDRFNHKSA-N 0 0 280.169 2.626 10 30 CFEERN C[C@H](COCc1ccccc1)Nc1cnccc1C#N ZINC000271383929 191109196 /nfs/dbraw/zinc/10/91/96/191109196.db2.gz KNAYXJYRNBQQFU-CYBMUJFWSA-N 0 0 267.332 2.970 10 30 CFEERN CCC[C@H]1C[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000122151020 187017689 /nfs/dbraw/zinc/01/76/89/187017689.db2.gz HJZKHPMFCDLFQE-CABZTGNLSA-N 0 0 264.275 2.755 10 30 CFEERN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000124288971 187130462 /nfs/dbraw/zinc/13/04/62/187130462.db2.gz DIKDBWFMTAWRRU-GFCCVEGCSA-N 0 0 291.420 2.500 10 30 CFEERN N#Cc1cccc([C@H]2Cc3ccccc3N(C(N)=O)C2)c1 ZINC000616690376 352414399 /nfs/dbraw/zinc/41/43/99/352414399.db2.gz NZYRUZKFWSTXET-HNNXBMFYSA-N 0 0 277.327 2.783 10 30 CFEERN N#Cc1ccc([C@@H]2Cc3ccccc3N(C(N)=O)C2)cc1 ZINC000616672624 352407640 /nfs/dbraw/zinc/40/76/40/352407640.db2.gz HNXJQMYEDZKQTR-OAHLLOKOSA-N 0 0 277.327 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CFEERN C=CCC1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000667644193 540314135 /nfs/dbraw/zinc/31/41/35/540314135.db2.gz HYFDLUSWFDZMSC-UHFFFAOYSA-N 0 0 259.349 2.930 10 30 CFEERN CC[C@](C)(CCO)Nc1ncc(Br)cc1C#N ZINC000297618484 200244257 /nfs/dbraw/zinc/24/42/57/200244257.db2.gz WGBSCFSOOJUXGN-GFCCVEGCSA-N 0 0 298.184 2.679 10 30 CFEERN N#Cc1ccc(-c2cnn3cccnc23)cc1Cl ZINC000675073170 540670710 /nfs/dbraw/zinc/67/07/10/540670710.db2.gz UACOBADFVUYOSM-UHFFFAOYSA-N 0 0 254.680 2.921 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1ccc(C#N)nc1 ZINC000176941293 189016035 /nfs/dbraw/zinc/01/60/35/189016035.db2.gz BNTZSTJHWUKNRL-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN C#CCCCCNC(=O)N[C@@H](C)c1cccs1 ZINC000177454795 189052049 /nfs/dbraw/zinc/05/20/49/189052049.db2.gz UFRZZOSSMHMJLY-NSHDSACASA-N 0 0 250.367 2.912 10 30 CFEERN COc1ccc([C@@H](C)Nc2nccnc2C#N)c(OC)c1 ZINC000301171517 200931961 /nfs/dbraw/zinc/93/19/61/200931961.db2.gz KFMLMXNGJRCGNF-SNVBAGLBSA-N 0 0 284.319 2.539 10 30 CFEERN 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2.929 10 30 CFEERN CN(C)C(=O)CC1(S)C2CC3CC(C2)CC1C3 ZINC000026381065 372317840 /nfs/dbraw/zinc/31/78/40/372317840.db2.gz UDSGIGSREBZZKO-UHFFFAOYSA-N 0 0 253.411 2.589 10 30 CFEERN COCC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000027983278 372355112 /nfs/dbraw/zinc/35/51/12/372355112.db2.gz RARHUPIQXVBSFT-UHFFFAOYSA-N 0 0 269.300 2.626 10 30 CFEERN Cc1[nH]c(=O)c(C#N)c2c1Sc1ccccc1N2 ZINC000027981646 372355541 /nfs/dbraw/zinc/35/55/41/372355541.db2.gz CNFFTHDYWTVPIQ-UHFFFAOYSA-N 0 0 255.302 2.763 10 30 CFEERN CO[C@]12CCCC[C@@]1(C#N)CN(Cc1ccccc1)CO2 ZINC000032625219 372450716 /nfs/dbraw/zinc/45/07/16/372450716.db2.gz PFLJRAHBPVSEHQ-SJORKVTESA-N 0 0 286.375 2.903 10 30 CFEERN Cc1cc(C)c(C)c(Oc2cc(/C(N)=N/O)ccn2)c1 ZINC000034940040 372520279 /nfs/dbraw/zinc/52/02/79/372520279.db2.gz QZHCENMIELNZNI-UHFFFAOYSA-N 0 0 271.320 2.894 10 30 CFEERN C[C@H]1C[C@H](Oc2ncccc2/C(N)=N/O)CC(C)(C)C1 ZINC000034958304 372521453 /nfs/dbraw/zinc/52/14/53/372521453.db2.gz DTIBOCPCESEITL-QWRGUYRKSA-N 0 0 277.368 2.770 10 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2.965 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1csc(-c2ccccn2)n1 ZINC000061892223 373736399 /nfs/dbraw/zinc/73/63/99/373736399.db2.gz JEMBDRXGGYGYMR-YPMHNXCESA-N 0 0 284.388 2.987 10 30 CFEERN COc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889352 373736817 /nfs/dbraw/zinc/73/68/17/373736817.db2.gz TWRMFBXQIRXLDA-MFKMUULPSA-N 0 0 259.309 2.509 10 30 CFEERN C[C@@H](CC#N)N(C)c1ccc(Br)cn1 ZINC000063096153 373784011 /nfs/dbraw/zinc/78/40/11/373784011.db2.gz BPKWOTKZUXUXSI-QMMMGPOBSA-N 0 0 254.131 2.582 10 30 CFEERN C=CCN1C(=O)c2ccccc2[C@@]1(CC=C)C(=O)OCC ZINC000064873808 373837785 /nfs/dbraw/zinc/83/77/85/373837785.db2.gz DKQYBMYRBJDZRM-KRWDZBQOSA-N 0 0 285.343 2.663 10 30 CFEERN N#Cc1ccccc1-c1ccc([C@H]2NCCc3nc[nH]c32)o1 ZINC000065533233 373885507 /nfs/dbraw/zinc/88/55/07/373885507.db2.gz LPYCVHDJVOSFEU-QGZVFWFLSA-N 0 0 290.326 2.776 10 30 CFEERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCCCC#N ZINC000068872280 374040796 /nfs/dbraw/zinc/04/07/96/374040796.db2.gz XYAYJQBFUWZVQI-ZDUSSCGKSA-N 0 0 280.393 2.669 10 30 CFEERN CC(=O)C1=CN=C2SC(C(=O)c3ccccc3)=CN2C1 ZINC000072416588 374249935 /nfs/dbraw/zinc/24/99/35/374249935.db2.gz RCTDOWDRLUOLFX-UHFFFAOYSA-N 0 0 284.340 2.602 10 30 CFEERN N#CCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000072414688 374249331 /nfs/dbraw/zinc/24/93/31/374249331.db2.gz ZCLULCQNSWUDPS-FLIBITNWSA-N 0 0 276.292 2.776 10 30 CFEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)s1 ZINC000093048691 375179984 /nfs/dbraw/zinc/17/99/84/375179984.db2.gz OIFSTFPXUURIPA-MRVPVSSYSA-N 0 0 292.813 2.686 10 30 CFEERN CCOc1ccc(C#CCNC(=O)OC(C)(C)C)cc1 ZINC000095347984 375417486 /nfs/dbraw/zinc/41/74/86/375417486.db2.gz CBEKQRJCJBKQPY-UHFFFAOYSA-N 0 0 275.348 2.962 10 30 CFEERN N#Cc1cccc(NN=C2C(=O)C=Cc3ccccc32)c1 ZINC000100209918 375615620 /nfs/dbraw/zinc/61/56/20/375615620.db2.gz MAAWLSWPXDTNOQ-LVZFUZTISA-N 0 0 273.295 2.970 10 30 CFEERN COC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1 ZINC000100333845 375619660 /nfs/dbraw/zinc/61/96/60/375619660.db2.gz PVSSVXDPIYXQMA-LZYBPNLTSA-N 0 0 280.633 2.843 10 30 CFEERN N#Cc1c(Cl)ncc(C=O)c1Nc1ccccc1O ZINC000098180920 375610379 /nfs/dbraw/zinc/61/03/79/375610379.db2.gz SQCFUYDKWXMSTN-UHFFFAOYSA-N 0 0 273.679 2.868 10 30 CFEERN CCCCCCCC1=[NH+]CCN1CCOCCC(=O)[O-] ZINC000100051353 375612182 /nfs/dbraw/zinc/61/21/82/375612182.db2.gz MWOOKWLIWHVLTJ-UHFFFAOYSA-N 0 0 284.400 2.552 10 30 CFEERN C/C(=N/O)[C@@H]1COc2ccc(Br)cc21 ZINC000102184819 375666601 /nfs/dbraw/zinc/66/66/01/375666601.db2.gz FVMGXZXVZKQJRJ-TXEUWIOXSA-N 0 0 256.099 2.775 10 30 CFEERN CCc1ccc([C@@H](C)NS(=O)(=O)CCCCC#N)cc1 ZINC000109336913 375821450 /nfs/dbraw/zinc/82/14/50/375821450.db2.gz BTCWVIYHLLEUOZ-CYBMUJFWSA-N 0 0 294.420 2.923 10 30 CFEERN C=CCC(CC=C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000124569845 377065260 /nfs/dbraw/zinc/06/52/60/377065260.db2.gz FHXMJISKDGMYNP-CABCVRRESA-N 0 0 263.381 2.925 10 30 CFEERN N#Cc1ccc(CN2CCO[C@@H](c3nccs3)C2)s1 ZINC000129283825 377407562 /nfs/dbraw/zinc/40/75/62/377407562.db2.gz HDJLJTNANFLCSI-GFCCVEGCSA-N 0 0 291.401 2.650 10 30 CFEERN C[C@@H](Nc1cccc(F)c1C#N)c1nnc2n1CCCC2 ZINC000131177035 377670752 /nfs/dbraw/zinc/67/07/52/377670752.db2.gz YVMQYZMGWYHUOE-SNVBAGLBSA-N 0 0 285.326 2.798 10 30 CFEERN COc1cc(CNc2cc(C)nc(C)c2C#N)ccn1 ZINC000133753498 377955406 /nfs/dbraw/zinc/95/54/06/377955406.db2.gz BQPAPCYJIIGGJO-UHFFFAOYSA-N 0 0 268.320 2.586 10 30 CFEERN C#C[C@@H](C)Nc1cccc(I)c1 ZINC000135165221 378094257 /nfs/dbraw/zinc/09/42/57/378094257.db2.gz JZKYXSOAUIRLRI-MRVPVSSYSA-N 0 0 271.101 2.725 10 30 CFEERN N#Cc1cc(N[C@@H]2CCCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000135797455 378163838 /nfs/dbraw/zinc/16/38/38/378163838.db2.gz RXYCOYKBEUQANX-TZMCWYRMSA-N 0 0 275.308 2.572 10 30 CFEERN C=CCNc1ncc(C(=O)N[C@H](C)C(C)C)s1 ZINC000136061092 378179087 /nfs/dbraw/zinc/17/90/87/378179087.db2.gz CPNQTMRKYAQNEN-SECBINFHSA-N 0 0 253.371 2.515 10 30 CFEERN CCCNc1ccc(C#N)cc1NC(=O)C[C@@H](O)C(C)C ZINC000160819621 378802217 /nfs/dbraw/zinc/80/22/17/378802217.db2.gz ISGXCJPXWQMICQ-OAHLLOKOSA-N 0 0 289.379 2.726 10 30 CFEERN 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CCCc1cc(=O)c2c(OC[C@H]3CO3)ccc(OC)c2o1 ZINC000000157825 169557533 /nfs/dbraw/zinc/55/75/33/169557533.db2.gz OBWCHYPBSJDAEV-LLVKDONJSA-N 0 0 290.315 2.532 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)C1(C#N)CCOCC1)[C@H](C)C2 ZINC000182229953 381032247 /nfs/dbraw/zinc/03/22/47/381032247.db2.gz GOPOCGXAHVWQHT-CZUORRHYSA-N 0 0 298.386 2.665 10 30 CFEERN C[C@H](Nc1ncc(Br)cc1C#N)[C@@H]1CCCO1 ZINC000296263746 381324501 /nfs/dbraw/zinc/32/45/01/381324501.db2.gz GKYITDZBSOPFNG-KWQFWETISA-N 0 0 296.168 2.695 10 30 CFEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000359677819 381549142 /nfs/dbraw/zinc/54/91/42/381549142.db2.gz OLYAVACFOWGGLQ-TZMCWYRMSA-N 0 0 270.332 2.673 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185524281 381656311 /nfs/dbraw/zinc/65/63/11/381656311.db2.gz AQBQGTPZTWZJTK-OLZOCXBDSA-N 0 0 296.411 2.714 10 30 CFEERN CC[C@](C)(CCO)Nc1nc(C)c(C#N)cc1Cl ZINC000291055612 381650605 /nfs/dbraw/zinc/65/06/05/381650605.db2.gz AEPXVRZMQWGXGA-CYBMUJFWSA-N 0 0 267.760 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LDTDSGJVARFZQS-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)Cc1c(C#N)cc(Cl)cc1OC(F)(F)F ZINC000575383056 382763225 /nfs/dbraw/zinc/76/32/25/382763225.db2.gz DKEFOGFSGMKBEW-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1cc(C(F)(F)F)cc(Cl)c1C#N ZINC000575383090 382763544 /nfs/dbraw/zinc/76/35/44/382763544.db2.gz GEXUWSPYBDGTAK-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN CCc1cc(C#N)c(OC(F)F)cc1C(=O)OC ZINC000575385381 382763821 /nfs/dbraw/zinc/76/38/21/382763821.db2.gz NSDHNURECDLUCT-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)c1ccc(CC)c(C#N)c1OC(F)F ZINC000575385359 382763947 /nfs/dbraw/zinc/76/39/47/382763947.db2.gz MSSXUJKHARWBIK-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1c(C#N)ccc(OC(F)F)c1C(F)F ZINC000575385273 382763949 /nfs/dbraw/zinc/76/39/49/382763949.db2.gz HUPMFUKMAGBJIP-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1OC(F)F ZINC000575385431 382764114 /nfs/dbraw/zinc/76/41/14/382764114.db2.gz QGNPJZUABKYJEM-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)cc(C(F)F)c1C#N ZINC000575385503 382764199 /nfs/dbraw/zinc/76/41/99/382764199.db2.gz VZTMAKZJZGDMOI-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)c1c(C)c(OC(F)F)ccc1C#N ZINC000575388539 382764830 /nfs/dbraw/zinc/76/48/30/382764830.db2.gz MJJXUWFRXFIIJH-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1cc(CC(=O)OC)cc(OC(F)(F)F)c1C#N ZINC000575388762 382765309 /nfs/dbraw/zinc/76/53/09/382765309.db2.gz DGXNZXSTFMEGBV-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1c(C#N)cc(CC(=O)OC)cc1C(F)(F)F ZINC000575389334 382765383 /nfs/dbraw/zinc/76/53/83/382765383.db2.gz GYQDXSOWZDWNKO-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(C(F)(F)F)c(C#N)cc1CC(=O)OC ZINC000575389142 382765402 /nfs/dbraw/zinc/76/54/02/382765402.db2.gz AODIIROBMRBAQL-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(C(=O)OC)c(OC(F)(F)F)cc1C#N ZINC000575389109 382765555 /nfs/dbraw/zinc/76/55/55/382765555.db2.gz YMAHZQMUNJNKQW-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(Cl)c1C(F)F ZINC000575712352 382793652 /nfs/dbraw/zinc/79/36/52/382793652.db2.gz GVAJPSWOEXCQQK-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN CCc1ccc(C(F)(F)F)c(C#N)c1C(=O)OC ZINC000575390181 382766078 /nfs/dbraw/zinc/76/60/78/382766078.db2.gz ZBSCWRBSULMOSZ-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575390374 382766164 /nfs/dbraw/zinc/76/61/64/382766164.db2.gz FYLZCWGGZXWABB-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(F)c1C#N ZINC000575390381 382766171 /nfs/dbraw/zinc/76/61/71/382766171.db2.gz GVGZCSCKFVYVNN-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCc1c(CC(=O)OC)ccc(C(F)(F)F)c1C#N ZINC000575389788 382766189 /nfs/dbraw/zinc/76/61/89/382766189.db2.gz NZDUELTUVIGPCZ-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1ccc(F)c(C#N)c1C(F)(F)F ZINC000575390534 382766317 /nfs/dbraw/zinc/76/63/17/382766317.db2.gz UWDSJXRLSFMJOP-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1F ZINC000575390484 382766379 /nfs/dbraw/zinc/76/63/79/382766379.db2.gz PMDTTYGESHSTHG-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1c(C#N)cc(C=O)cc1C(F)(F)F ZINC000575391227 382766755 /nfs/dbraw/zinc/76/67/55/382766755.db2.gz PRELCGQDHRZCDW-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)Cc1cc(C#N)c(O)cc1SC(F)(F)F ZINC000575391696 382766784 /nfs/dbraw/zinc/76/67/84/382766784.db2.gz GHJVAJLKTOEWMP-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1c(SC(F)(F)F)ccc(C#N)c1OC ZINC000575394555 382768136 /nfs/dbraw/zinc/76/81/36/382768136.db2.gz JDSATAGILKLNQG-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1C ZINC000575394354 382768234 /nfs/dbraw/zinc/76/82/34/382768234.db2.gz FFWARULSOSEHCS-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1C ZINC000575394717 382768276 /nfs/dbraw/zinc/76/82/76/382768276.db2.gz MJXPTNGBTIOXCD-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C)c1OC(F)(F)F ZINC000575394569 382768305 /nfs/dbraw/zinc/76/83/05/382768305.db2.gz JTTKQBBCVCEQEF-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1c(OC)ccc(C(F)(F)F)c1C#N ZINC000575395140 382768520 /nfs/dbraw/zinc/76/85/20/382768520.db2.gz XYPWIQVUEXJTNG-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)c1c(SC(F)(F)F)ccc(OC)c1C#N ZINC000575395022 382768626 /nfs/dbraw/zinc/76/86/26/382768626.db2.gz UKSIXZGPZGYISI-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1c(C)c(C#N)ccc1OC(F)(F)F ZINC000575394749 382768632 /nfs/dbraw/zinc/76/86/32/382768632.db2.gz NIUXLBUNUCQNOH-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])c(C#N)c(C(F)(F)F)c1 ZINC000575395890 382768731 /nfs/dbraw/zinc/76/87/31/382768731.db2.gz UZRJYYCEACPUMV-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN N#CCc1cc(C(F)(F)F)ncc1OC(F)F ZINC000575396913 382769136 /nfs/dbraw/zinc/76/91/36/382769136.db2.gz JPVOOVFSURHMPX-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN 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382775375 /nfs/dbraw/zinc/77/53/75/382775375.db2.gz WZELRKFXCOOVDG-CABZTGNLSA-N 0 0 266.703 2.901 10 30 CFEERN N#CCc1cc(Br)cc(N)c1OC(F)F ZINC000575714737 382794507 /nfs/dbraw/zinc/79/45/07/382794507.db2.gz QQXNZGZTKKLSOF-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN COC(=O)Cc1cc(Cl)c(C#N)cc1C(F)F ZINC000575713756 382794523 /nfs/dbraw/zinc/79/45/23/382794523.db2.gz ZNWSGUVKPLPHRS-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN N#CCc1c(N)cc(OC(F)F)cc1Br ZINC000575713970 382794625 /nfs/dbraw/zinc/79/46/25/382794625.db2.gz HJCCCDNPXRWEOX-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN N#CCc1cc(N)c(Br)c(OC(F)F)c1 ZINC000575714387 382794650 /nfs/dbraw/zinc/79/46/50/382794650.db2.gz NELZSRDRFYGQJP-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN COc1cc(CC#N)c(C#N)cc1OC(F)(F)F ZINC000575646657 382777432 /nfs/dbraw/zinc/77/74/32/382777432.db2.gz HPWYLKGHTDDCNH-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN COc1cc(C#N)cc(CC#N)c1OC(F)(F)F ZINC000575647078 382777935 /nfs/dbraw/zinc/77/79/35/382777935.db2.gz 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ZINC000575671875 382784031 /nfs/dbraw/zinc/78/40/31/382784031.db2.gz QPORTOLFKHOAGQ-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575673726 382784243 /nfs/dbraw/zinc/78/42/43/382784243.db2.gz MPCZVPIRKCVOPR-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000575673352 382784311 /nfs/dbraw/zinc/78/43/11/382784311.db2.gz IBCUUCQHIBEGFP-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN COC(=O)c1ccc2c(c1)[nH]c1c2cccc1C#N ZINC000216861381 382784555 /nfs/dbraw/zinc/78/45/55/382784555.db2.gz MWQVELRRYTUQBO-UHFFFAOYSA-N 0 0 250.257 2.979 10 30 CFEERN COc1cc([N+](=O)[O-])cc(CC#N)c1C(F)(F)F ZINC000575678612 382785324 /nfs/dbraw/zinc/78/53/24/382785324.db2.gz IKQXIAMXFFRRTG-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#Cc1cc(Br)cc(O)c1OC(F)F ZINC000575682321 382786305 /nfs/dbraw/zinc/78/63/05/382786305.db2.gz PSYQATHACPLJPD-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#CCc1cc(O)c(Br)cc1OC(F)F ZINC000575682196 382786460 /nfs/dbraw/zinc/78/64/60/382786460.db2.gz OOFCVIJKEQUGNY-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(OC(F)F)ccc(N)c1C(F)(F)F ZINC000575717354 382795312 /nfs/dbraw/zinc/79/53/12/382795312.db2.gz OPZFNLXUNSJOMH-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN COc1cc(CC#N)c(I)cc1C ZINC000575708963 382792877 /nfs/dbraw/zinc/79/28/77/382792877.db2.gz PWWAEGMDAPPIKB-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN COc1cc(C)c(CC#N)c(I)c1 ZINC000575708967 382793004 /nfs/dbraw/zinc/79/30/04/382793004.db2.gz QAGXHZBBDMCVQI-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)cc(C#N)c1Cl ZINC000575342969 382759352 /nfs/dbraw/zinc/75/93/52/382759352.db2.gz BZXBFZBIBQKNDI-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(OC)c(C(F)F)cc1C#N ZINC000575343515 382759773 /nfs/dbraw/zinc/75/97/73/382759773.db2.gz CNCSQPILTNMTOH-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(Cl)c1OC(F)F ZINC000575343060 382759809 /nfs/dbraw/zinc/75/98/09/382759809.db2.gz ZZYMBYKFSMCSLG-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1c(OC)ccc(C(F)F)c1C#N ZINC000575343655 382760083 /nfs/dbraw/zinc/76/00/83/382760083.db2.gz WTZCFMADUBRUIG-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1ccc(C)c(C(F)F)c1C#N ZINC000575343753 382760136 /nfs/dbraw/zinc/76/01/36/382760136.db2.gz GDTHKYQEUHLSCZ-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN Cc1ccccc1CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235782309 382887876 /nfs/dbraw/zinc/88/78/76/382887876.db2.gz DFHGNQZEOVTTPR-UHFFFAOYSA-N 0 0 282.303 2.825 10 30 CFEERN C#CCCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245594833 383012506 /nfs/dbraw/zinc/01/25/06/383012506.db2.gz MRQLVHCBCIGWEY-KFWWJZLASA-N 0 0 291.391 2.513 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000247379059 383169136 /nfs/dbraw/zinc/16/91/36/383169136.db2.gz FFHBOASHDDMRSS-RWMBFGLXSA-N 0 0 296.411 2.761 10 30 CFEERN C=C(Br)CN1CCC[C@H]1[C@H]1CCCC1=O ZINC000250527328 383377046 /nfs/dbraw/zinc/37/70/46/383377046.db2.gz QHAGCYXFCFRTJY-MNOVXSKESA-N 0 0 272.186 2.729 10 30 CFEERN Cn1ncc(N=Cc2ccc(Cl)cc2Cl)c1C(N)=O ZINC000254399638 383466647 /nfs/dbraw/zinc/46/66/47/383466647.db2.gz UYXJMZUWPAMKPQ-UHFFFAOYSA-N 0 0 297.145 2.576 10 30 CFEERN CCSc1nncn1N=Cc1ccc(OC(F)F)cc1 ZINC000254442983 383468482 /nfs/dbraw/zinc/46/84/82/383468482.db2.gz RWENEFOYSWNQRA-UHFFFAOYSA-N 0 0 298.318 2.874 10 30 CFEERN O=C1Nc2ccccc2/C1=N/N=Cc1cc(Cl)ccc1O ZINC000254866709 383472552 /nfs/dbraw/zinc/47/25/52/383472552.db2.gz PSGSDCBORHZMCF-UHFFFAOYSA-N 0 0 299.717 2.821 10 30 CFEERN N#Cc1ccc2c(c1)N(Cc1ccccc1)CC(=O)N2 ZINC000259173004 383501307 /nfs/dbraw/zinc/50/13/07/383501307.db2.gz DAAOCCJIXUQTPM-UHFFFAOYSA-N 0 0 263.300 2.517 10 30 CFEERN C#CCCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000192142636 533020072 /nfs/dbraw/zinc/02/00/72/533020072.db2.gz LHMVYWYOGRLXHB-AWEZNQCLSA-N 0 0 281.359 2.853 10 30 CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 ZINC000005866376 285119590 /nfs/dbraw/zinc/11/95/90/285119590.db2.gz GCEQJUADWFNJDR-QVLQDECFSA-N 0 0 288.263 2.867 10 30 CFEERN O=C(Nc1ccc2ccoc2c1)N1CCC[C@@](F)(CO)C1 ZINC000329236788 227372440 /nfs/dbraw/zinc/37/24/40/227372440.db2.gz JUDUTPDMWCNDFX-HNNXBMFYSA-N 0 0 292.310 2.775 10 30 CFEERN COc1ccc2c(c1NC(=O)c1cncnc1C)CCC2 ZINC000330083761 533315402 /nfs/dbraw/zinc/31/54/02/533315402.db2.gz QOMSFQCKKIDFRK-UHFFFAOYSA-N 0 0 283.331 2.919 10 30 CFEERN COc1cc(CN=Nc2nc(C)cs2)cc(OC)c1O ZINC000106464011 533484281 /nfs/dbraw/zinc/48/42/81/533484281.db2.gz DPOWMDDAKYTSQB-NSIKDUERSA-N 0 0 293.348 2.620 10 30 CFEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000191708670 130281577 /nfs/dbraw/zinc/28/15/77/130281577.db2.gz NNXQXXQJBDPDQY-JOYOIKCWSA-N 0 0 278.739 2.965 10 30 CFEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000191708660 130281767 /nfs/dbraw/zinc/28/17/67/130281767.db2.gz NNXQXXQJBDPDQY-BXKDBHETSA-N 0 0 278.739 2.965 10 30 CFEERN C=CCS(=O)(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000263969578 131370373 /nfs/dbraw/zinc/37/03/73/131370373.db2.gz LQNDKKHDVHCACU-UHFFFAOYSA-N 0 0 294.203 2.941 10 30 CFEERN Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301948076 393483711 /nfs/dbraw/zinc/48/37/11/393483711.db2.gz HULOMHPHDRKYIA-PTEHBNRSSA-N 0 0 259.353 2.938 10 30 CFEERN Cc1cc(C#N)ccc1CN1CCO[C@H](c2nccs2)C1 ZINC000186227715 393541686 /nfs/dbraw/zinc/54/16/86/393541686.db2.gz GTJAFHZJNQXQQT-HNNXBMFYSA-N 0 0 299.399 2.897 10 30 CFEERN C=C(C)CN(C)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000302073446 393488977 /nfs/dbraw/zinc/48/89/77/393488977.db2.gz WQKNEMDPVRHFNP-UHFFFAOYSA-N 0 0 293.310 2.992 10 30 CFEERN C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)s2)C1 ZINC000302129335 393490014 /nfs/dbraw/zinc/49/00/14/393490014.db2.gz GHKYIRYCAZGZAW-JTQLQIEISA-N 0 0 267.398 2.617 10 30 CFEERN CC(C)(C)n1cc(C#N)c2c1[nH]c(=O)cc2C(F)(F)F ZINC000217013229 393755853 /nfs/dbraw/zinc/75/58/53/393755853.db2.gz SVIOGDQWDHSKJD-UHFFFAOYSA-N 0 0 283.253 2.975 10 30 CFEERN C[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235591953 393784717 /nfs/dbraw/zinc/78/47/17/393784717.db2.gz NTSKBXWUFGPPGH-UWVGGRQHSA-N 0 0 260.297 2.852 10 30 CFEERN C[C@H](CC#N)NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000121123236 393949204 /nfs/dbraw/zinc/94/92/04/393949204.db2.gz SMSODAYZOXPDLB-ZYHUDNBSSA-N 0 0 299.296 2.761 10 30 CFEERN CC1(C)C[C@H](NC(=O)CSCC#N)c2ccccc2O1 ZINC000121546756 393956806 /nfs/dbraw/zinc/95/68/06/393956806.db2.gz VSQHHWJNDQIPBO-LBPRGKRZSA-N 0 0 290.388 2.662 10 30 CFEERN CC1(C)C[C@@H](NC(=O)CSCC#N)c2ccccc2O1 ZINC000121546861 393957008 /nfs/dbraw/zinc/95/70/08/393957008.db2.gz VSQHHWJNDQIPBO-GFCCVEGCSA-N 0 0 290.388 2.662 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151018616 394259357 /nfs/dbraw/zinc/25/93/57/394259357.db2.gz WOYGYXJULYIQNZ-GDBMZVCRSA-N 0 0 273.376 2.811 10 30 CFEERN C[C@H]1CN(Cc2cc(C#N)ccc2F)CCS1 ZINC000134343193 394194370 /nfs/dbraw/zinc/19/43/70/394194370.db2.gz NOBMUYKJQOLWIZ-JTQLQIEISA-N 0 0 250.342 2.635 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000178556545 394389634 /nfs/dbraw/zinc/38/96/34/394389634.db2.gz RVLOVZJFCXLQNQ-QWRGUYRKSA-N 0 0 273.336 2.508 10 30 CFEERN COc1cc(C)ccc1NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329523742 533673066 /nfs/dbraw/zinc/67/30/66/533673066.db2.gz QAYDHMGIOYCYJP-TYNCELHUSA-N 0 0 291.347 2.643 10 30 CFEERN C=C(C)C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000405552346 543021066 /nfs/dbraw/zinc/02/10/66/543021066.db2.gz SUPBDGWMHWCGER-UHFFFAOYSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405602831 543021420 /nfs/dbraw/zinc/02/14/20/543021420.db2.gz NDROLJBHUHRHTM-QWRGUYRKSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000405653998 543022394 /nfs/dbraw/zinc/02/23/94/543022394.db2.gz MIRDXEFOUCHVIJ-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000405759794 543023750 /nfs/dbraw/zinc/02/37/50/543023750.db2.gz ZSLJYHINIWIOCI-CQSZACIVSA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405803118 543024049 /nfs/dbraw/zinc/02/40/49/543024049.db2.gz QFWAPWRNGQFWHB-MNOVXSKESA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405962245 543027691 /nfs/dbraw/zinc/02/76/91/543027691.db2.gz ZDOZZPYBADFAPV-YGRLFVJLSA-N 0 0 253.342 2.825 10 30 CFEERN CCOC(=O)C#Cc1cccc(Br)c1F ZINC000233644404 543029386 /nfs/dbraw/zinc/02/93/86/543029386.db2.gz WOKFEQMSIZJHPK-UHFFFAOYSA-N 0 0 271.085 2.503 10 30 CFEERN Cc1c(Br)cc(CC#N)cc1[N+](=O)[O-] ZINC000307564086 397644860 /nfs/dbraw/zinc/64/48/60/397644860.db2.gz XWFWTUMCPPZPJV-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN C=C[C@@H](C)Nc1ncc(F)cc1I ZINC000306223323 397640152 /nfs/dbraw/zinc/64/01/52/397640152.db2.gz YIXGAGCKWCNPTO-ZCFIWIBFSA-N 0 0 292.095 2.812 10 30 CFEERN CO/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000003123823 169858161 /nfs/dbraw/zinc/85/81/61/169858161.db2.gz UZTMHPISHVUITN-NXVVXOECSA-N 0 0 289.356 2.777 10 30 CFEERN COc1ccc2[nH]c3c(c2c1)C(=O)C(OC)=C(C)[C@]3(C)O ZINC000003913970 169924929 /nfs/dbraw/zinc/92/49/29/169924929.db2.gz SMZGKKVSOZURAI-INIZCTEOSA-N 0 0 287.315 2.501 10 30 in-vitro CFEERN C[C@H]1CCC/C(=N\NS(=O)(=O)c2ccccc2)C1 ZINC000005163837 170072872 /nfs/dbraw/zinc/07/28/72/170072872.db2.gz UDCLGSNSBZNERV-DLGQCPFBSA-N 0 0 266.366 2.531 10 30 CFEERN Cc1ccc(S(=O)(=O)N[C@H](C#N)c2ccccc2)cc1 ZINC000005415921 170096303 /nfs/dbraw/zinc/09/63/03/170096303.db2.gz VIUWPDSANYOGGZ-OAHLLOKOSA-N 0 0 286.356 2.538 10 30 CFEERN O=C(/C=N/c1ccccc1[N+](=O)[O-])Nc1ccco1 ZINC000005824746 170144567 /nfs/dbraw/zinc/14/45/67/170144567.db2.gz KHEZMLICAFHPQK-MDWZMJQESA-N 0 0 259.221 2.529 10 30 CFEERN C/C(=N\NC(=S)NCCc1ccccc1)c1ccccn1 ZINC000005868295 170148491 /nfs/dbraw/zinc/14/84/91/170148491.db2.gz FXUCEMBJWUSEDC-CPNJWEJPSA-N 0 0 298.415 2.512 10 30 CFEERN C=CCNC(=S)N/N=C/c1cccc(Cl)c1Cl ZINC000006312934 170190106 /nfs/dbraw/zinc/19/01/06/170190106.db2.gz JPDAXMXXTZFVKT-VIZOYTHASA-N 0 0 288.203 2.977 10 30 CFEERN COC1(c2nc3ccccc3s2)C=CC(=O)C=C1 ZINC000006482779 170204913 /nfs/dbraw/zinc/20/49/13/170204913.db2.gz GAEQLCPXSVUPJL-UHFFFAOYSA-N 0 0 257.314 2.833 10 30 CFEERN C#C/C(C)=C\CN1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000006495333 170207292 /nfs/dbraw/zinc/20/72/92/170207292.db2.gz PKYXXBMHZKYHSP-FSBNRTBOSA-N 0 0 281.359 2.526 10 30 CFEERN c1ccc(C(N=Nc2ccncn2)c2ccccn2)cc1 ZINC000006568034 170214310 /nfs/dbraw/zinc/21/43/10/170214310.db2.gz GIWZVVFHOPDRFU-PGMHBOJBSA-N 0 0 275.315 2.736 10 30 CFEERN N#Cc1cccc(C(=O)Nc2cc(N)ccc2F)c1 ZINC000019407458 170787453 /nfs/dbraw/zinc/78/74/53/170787453.db2.gz USFPRWDJBPRFLU-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN CC(C)C[C@H](C)OCc1cccc(/C(N)=N/O)c1 ZINC000019429418 170796776 /nfs/dbraw/zinc/79/67/76/170796776.db2.gz JXXUENCSKRKITJ-NSHDSACASA-N 0 0 250.342 2.732 10 30 CFEERN Cc1ccc(COc2ccccc2/C(N)=N/O)cc1 ZINC000019429666 170796865 /nfs/dbraw/zinc/79/68/65/170796865.db2.gz SDWYVJGCWKEKGT-UHFFFAOYSA-N 0 0 256.305 2.669 10 30 CFEERN CC(C)OCCOCCCC(=O)Nc1cccc(C#N)c1 ZINC000019847457 170896761 /nfs/dbraw/zinc/89/67/61/170896761.db2.gz UZQRXGOKRSGJHX-UHFFFAOYSA-N 0 0 290.363 2.719 10 30 CFEERN CCCN(CCC)S(=O)(=O)Cc1ccccc1C#N ZINC000020016529 170970396 /nfs/dbraw/zinc/97/03/96/170970396.db2.gz TYJLVRFPBXHOQO-UHFFFAOYSA-N 0 0 280.393 2.510 10 30 CFEERN COc1cc([C@H](C#N)NC2CCCC2)cc(OC)c1OC ZINC000020176095 171042390 /nfs/dbraw/zinc/04/23/90/171042390.db2.gz QHSDOYBBVJATBX-ZDUSSCGKSA-N 0 0 290.363 2.809 10 30 CFEERN N#C[C@H](NC1CC1)c1cccc(Br)c1 ZINC000020176143 171042407 /nfs/dbraw/zinc/04/24/07/171042407.db2.gz BKWOHQLISGWUDW-NSHDSACASA-N 0 0 251.127 2.766 10 30 CFEERN COCCN[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177160 171042704 /nfs/dbraw/zinc/04/27/04/171042704.db2.gz BZOHJCLRASOQMN-SNVBAGLBSA-N 0 0 259.136 2.794 10 30 CFEERN C=CCc1ccccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000020332310 171151676 /nfs/dbraw/zinc/15/16/76/171151676.db2.gz XEIULINUIGUVDJ-UHFFFAOYSA-N 0 0 296.326 2.903 10 30 CFEERN C[C@H](C(=O)NC(C)(C)C)N(CCC#N)c1ccccc1 ZINC000020358735 171157632 /nfs/dbraw/zinc/15/76/32/171157632.db2.gz QTQSNRPTJCNDRZ-CYBMUJFWSA-N 0 0 273.380 2.710 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1C(F)(F)F ZINC000020359085 171157995 /nfs/dbraw/zinc/15/79/95/171157995.db2.gz PXQWMBXEYFQPFS-SECBINFHSA-N 0 0 272.270 2.808 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000020359169 171158176 /nfs/dbraw/zinc/15/81/76/171158176.db2.gz UFNVBNGDTMVKQE-SECBINFHSA-N 0 0 288.269 2.688 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccccc1Br ZINC000020358929 171158413 /nfs/dbraw/zinc/15/84/13/171158413.db2.gz AOOZBYBSVDHVGJ-VIFPVBQESA-N 0 0 283.169 2.552 10 30 CFEERN Brc1cccc(NC2=NCCS2)c1 ZINC000020360769 171159356 /nfs/dbraw/zinc/15/93/56/171159356.db2.gz SXGGKVXAONLFBC-UHFFFAOYSA-N 0 0 257.156 2.773 10 30 CFEERN C#Cc1cccc(N[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000020369640 171167888 /nfs/dbraw/zinc/16/78/88/171167888.db2.gz OZZLOKFSVOFSQB-ZDUSSCGKSA-N 0 0 270.376 2.917 10 30 CFEERN N#Cc1ccc(C(=O)Nc2ccc(F)c(N)c2)cc1 ZINC000022174592 171369741 /nfs/dbraw/zinc/36/97/41/171369741.db2.gz NNLKGJCPPBRJNG-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN CCOC(=O)[C@H](C#N)Cc1ccc(C(F)(F)F)cc1 ZINC000034438473 171840128 /nfs/dbraw/zinc/84/01/28/171840128.db2.gz NNTGJYCGGKBPTP-JTQLQIEISA-N 0 0 271.238 2.951 10 30 CFEERN N#C[C@@H](NC(=O)Cc1ccccc1)c1ccccc1 ZINC000034511507 171842693 /nfs/dbraw/zinc/84/26/93/171842693.db2.gz GGJZXZFZJDWHBC-OAHLLOKOSA-N 0 0 250.301 2.610 10 30 CFEERN N#CCc1ccc(OCc2nnsc2Cl)cc1 ZINC000035221526 172063754 /nfs/dbraw/zinc/06/37/54/172063754.db2.gz CQOLTZNROLHPEO-UHFFFAOYSA-N 0 0 265.725 2.837 10 30 CFEERN COc1ccc(OCC(=O)c2ccc(C#N)cc2)cc1 ZINC000035224907 172069519 /nfs/dbraw/zinc/06/95/19/172069519.db2.gz AHMYDNLVQQOBIQ-UHFFFAOYSA-N 0 0 267.284 2.829 10 30 CFEERN N#Cc1cccc(Oc2nc3sccn3c2CO)c1 ZINC000035429294 172197362 /nfs/dbraw/zinc/19/73/62/172197362.db2.gz GOYHNWGIMXCWMS-UHFFFAOYSA-N 0 0 271.301 2.552 10 30 CFEERN CC(C)(C)n1cc(C=O)c(-c2ccc(C#N)cc2)n1 ZINC000036894359 172786627 /nfs/dbraw/zinc/78/66/27/172786627.db2.gz HHOXUNJAIMPVNI-UHFFFAOYSA-N 0 0 253.305 2.989 10 30 CFEERN CCOc1nc(Nc2ccc(C#N)cc2)ccc1N ZINC000037067625 172930816 /nfs/dbraw/zinc/93/08/16/172930816.db2.gz WWYKOYLLBLENRS-UHFFFAOYSA-N 0 0 254.293 2.678 10 30 CFEERN C=C(Cl)COc1cc([N+](=O)[O-])c(C=O)cc1OC ZINC000037226457 173046238 /nfs/dbraw/zinc/04/62/38/173046238.db2.gz VWACNHYMVBNBTJ-UHFFFAOYSA-N 0 0 271.656 2.547 10 30 CFEERN N#Cc1c(F)cccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037268802 173080612 /nfs/dbraw/zinc/08/06/12/173080612.db2.gz AIMTZZLOLTYNRM-UHFFFAOYSA-N 0 0 261.212 2.811 10 30 CFEERN N#Cc1ccc(N2C(=S)N=NC2C2CC2)cc1Cl ZINC000037393506 173173724 /nfs/dbraw/zinc/17/37/24/173173724.db2.gz BDFQALGLYCLAQG-UHFFFAOYSA-N 0 0 276.752 2.958 10 30 CFEERN CCCCCC(=O)Nc1ccc(C#CCCO)cc1 ZINC000037549922 173267773 /nfs/dbraw/zinc/26/77/73/173267773.db2.gz QBSQRXRSYUHIEB-UHFFFAOYSA-N 0 0 259.349 2.939 10 30 CFEERN O=C(Nc1ccccc1C#CCCO)c1ccsc1 ZINC000037549846 173268021 /nfs/dbraw/zinc/26/80/21/173268021.db2.gz ZLEJZPVHSVECNG-UHFFFAOYSA-N 0 0 271.341 2.734 10 30 CFEERN N#CC1(Nc2ccccc2)CCC2(CC1)OCCO2 ZINC000037935298 173876185 /nfs/dbraw/zinc/87/61/85/173876185.db2.gz OISCTZVHYBEVGW-UHFFFAOYSA-N 0 0 258.321 2.678 10 30 CFEERN N#C[C@@H](NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000037940104 173879792 /nfs/dbraw/zinc/87/97/92/173879792.db2.gz VFVZWUAMSRIRSR-GXFFZTMASA-N 0 0 250.729 2.673 10 30 CFEERN N#C[C@H](NC[C@H]1CCCO1)c1ccccc1Cl ZINC000037940107 173879878 /nfs/dbraw/zinc/87/98/78/173879878.db2.gz VFVZWUAMSRIRSR-MFKMUULPSA-N 0 0 250.729 2.673 10 30 CFEERN N#Cc1cccnc1Oc1ccc([N+](=O)[O-])cc1F ZINC000038082006 174091299 /nfs/dbraw/zinc/09/12/99/174091299.db2.gz XNXVXJCOLSTAHS-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#Cc1cccc(NS(=O)(=O)C2CCCCC2)c1 ZINC000038137391 174133414 /nfs/dbraw/zinc/13/34/14/174133414.db2.gz DZDSBSZROQHXCL-UHFFFAOYSA-N 0 0 264.350 2.633 10 30 CFEERN N#Cc1cccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000039251611 174167657 /nfs/dbraw/zinc/16/76/57/174167657.db2.gz HYNUEGBHSMIYHE-UHFFFAOYSA-N 0 0 261.668 2.970 10 30 CFEERN N#Cc1ccc(NC(=O)c2cnc3ccccc3c2O)cc1 ZINC000040176877 174202591 /nfs/dbraw/zinc/20/25/91/174202591.db2.gz IZITVAADVNIJRK-UHFFFAOYSA-N 0 0 289.294 2.652 10 30 CFEERN N#CC1(NS(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000040215438 174204276 /nfs/dbraw/zinc/20/42/76/174204276.db2.gz AKFOXKFCMHPPKL-UHFFFAOYSA-N 0 0 290.797 2.516 10 30 CFEERN N#C[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040215130 174204355 /nfs/dbraw/zinc/20/43/55/174204355.db2.gz MWIIXBLQZDOCSI-CQSZACIVSA-N 0 0 254.264 2.820 10 30 CFEERN C#CCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000040274995 174218632 /nfs/dbraw/zinc/21/86/32/174218632.db2.gz HZDBUTAHWZZQQJ-UHFFFAOYSA-N 0 0 283.375 2.722 10 30 CFEERN Cc1c(N)cccc1C(=O)Nc1sccc1C#N ZINC000040310611 174230645 /nfs/dbraw/zinc/23/06/45/174230645.db2.gz GOZRKHUBUWRCPO-UHFFFAOYSA-N 0 0 257.318 2.763 10 30 CFEERN CCC(C#N)(CC)NC(=O)c1ccc(Br)o1 ZINC000040359132 174246373 /nfs/dbraw/zinc/24/63/73/174246373.db2.gz XBBACGIYXUSADY-UHFFFAOYSA-N 0 0 285.141 2.854 10 30 CFEERN CCN(CC)c1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000040373854 174248996 /nfs/dbraw/zinc/24/89/96/174248996.db2.gz HAEHBWGKGGDZIF-UHFFFAOYSA-N 0 0 286.291 2.968 10 30 CFEERN N#Cc1ccc(-n2ncc3ccc(N)cc32)c(F)c1 ZINC000040516722 174307312 /nfs/dbraw/zinc/30/73/12/174307312.db2.gz NBDNUAAGGPHKTD-UHFFFAOYSA-N 0 0 252.252 2.618 10 30 CFEERN C=CCNC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000040651878 174364889 /nfs/dbraw/zinc/36/48/89/174364889.db2.gz PHKNHLMRFYIKFK-HNNXBMFYSA-N 0 0 277.364 2.746 10 30 CFEERN C=CCNc1ncnc(NCc2ccc(C)cc2)c1N ZINC000040709023 174380908 /nfs/dbraw/zinc/38/09/08/174380908.db2.gz FVFPJYJKAATKJU-UHFFFAOYSA-N 0 0 269.352 2.577 10 30 CFEERN Cc1nnc(Oc2cccc(N(C)C)c2)c(C#N)c1C ZINC000040714450 174381876 /nfs/dbraw/zinc/38/18/76/174381876.db2.gz ZVAXOGJLZIHLEX-UHFFFAOYSA-N 0 0 268.320 2.823 10 30 CFEERN COc1cccc(OC)c1Oc1ccc(N)cc1C#N ZINC000041021307 174451942 /nfs/dbraw/zinc/45/19/42/174451942.db2.gz DWTWOCQLBOGYCP-UHFFFAOYSA-N 0 0 270.288 2.950 10 30 CFEERN CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(OC)c1 ZINC000042292689 174675518 /nfs/dbraw/zinc/67/55/18/174675518.db2.gz DAJLTQNSDRFHRW-NSHDSACASA-N 0 0 261.325 2.709 10 30 CFEERN N#CCCN(CC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000042359709 174696111 /nfs/dbraw/zinc/69/61/11/174696111.db2.gz NPQBNNBCRZKSSO-UHFFFAOYSA-N 0 0 277.755 2.657 10 30 CFEERN CC(C)C[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1F ZINC000042583509 174807108 /nfs/dbraw/zinc/80/71/08/174807108.db2.gz KZQXLOWXYUTQBC-SNVBAGLBSA-N 0 0 267.348 2.791 10 30 CFEERN CCCCN(c1ncccc1/C(N)=N/O)[C@H](C)CC ZINC000042607734 174820418 /nfs/dbraw/zinc/82/04/18/174820418.db2.gz HJMMNHSWRVAJRE-LLVKDONJSA-N 0 0 264.373 2.581 10 30 CFEERN C[C@H](N(C)C(=O)c1ccc(C#CCO)cc1F)C(C)(C)C ZINC000042797363 174881991 /nfs/dbraw/zinc/88/19/91/174881991.db2.gz CYNZFESZTGKXQN-LBPRGKRZSA-N 0 0 291.366 2.676 10 30 CFEERN O=C(c1csc2ccccc12)N1CCC(=NO)CC1 ZINC000042891290 174902428 /nfs/dbraw/zinc/90/24/28/174902428.db2.gz VPWHXTCYBYAUIA-UHFFFAOYSA-N 0 0 274.345 2.968 10 30 CFEERN COc1ccc(N)cc1Oc1nc(C)ccc1C#N ZINC000043395827 175035582 /nfs/dbraw/zinc/03/55/82/175035582.db2.gz OLERCHVJTHHZNR-UHFFFAOYSA-N 0 0 255.277 2.645 10 30 CFEERN CCC(CC)N(CCOC)c1nc(C)ccc1C#N ZINC000043399802 175036769 /nfs/dbraw/zinc/03/67/69/175036769.db2.gz GLHAITVGIVYRBP-UHFFFAOYSA-N 0 0 261.369 2.903 10 30 CFEERN C=CCOc1ccccc1C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043433611 175044027 /nfs/dbraw/zinc/04/40/27/175044027.db2.gz KUKHYVRKGXSICV-CQSZACIVSA-N 0 0 277.364 2.840 10 30 CFEERN CCOc1cc(C=O)cc(Br)c1O[C@H](C)C#N ZINC000043516104 175061565 /nfs/dbraw/zinc/06/15/65/175061565.db2.gz WAAQSNLAHDTDHP-MRVPVSSYSA-N 0 0 298.136 2.951 10 30 CFEERN COc1cc(C#N)ccc1Oc1nccnc1Cl ZINC000043536761 175063375 /nfs/dbraw/zinc/06/33/75/175063375.db2.gz DSOVGFMSOUPMQU-UHFFFAOYSA-N 0 0 261.668 2.803 10 30 CFEERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#CCO)c(F)c1 ZINC000043581845 175069645 /nfs/dbraw/zinc/06/96/45/175069645.db2.gz OOQCTIZGOMPAOA-CHWSQXEVSA-N 0 0 289.350 2.573 10 30 CFEERN Cc1ccccc1OCc1ccc(C#CCO)s1 ZINC000043682532 175091281 /nfs/dbraw/zinc/09/12/81/175091281.db2.gz HZHRGGRKVGLOKT-UHFFFAOYSA-N 0 0 258.342 2.979 10 30 CFEERN CCc1c(C)nn(Cc2ccc(C#CCO)s2)c1C ZINC000043682368 175091342 /nfs/dbraw/zinc/09/13/42/175091342.db2.gz NZDINTBYRQFANH-UHFFFAOYSA-N 0 0 274.389 2.516 10 30 CFEERN OCCC#Cc1ccsc1COc1ccc(CO)cc1 ZINC000043683064 175091343 /nfs/dbraw/zinc/09/13/43/175091343.db2.gz LBYFSRWTCINYQJ-UHFFFAOYSA-N 0 0 288.368 2.553 10 30 CFEERN OCCC#Cc1ccc(COC2CCCC2)s1 ZINC000043682415 175091351 /nfs/dbraw/zinc/09/13/51/175091351.db2.gz IFFJZGJKVRURJP-UHFFFAOYSA-N 0 0 250.363 2.941 10 30 CFEERN N#Cc1ccccc1OCc1cc(C#CCCO)cs1 ZINC000043699169 175096742 /nfs/dbraw/zinc/09/67/42/175096742.db2.gz XXNBVNNHHHVCCZ-UHFFFAOYSA-N 0 0 283.352 2.933 10 30 CFEERN CN(Cc1csc(C#CCCO)c1)C(=O)c1ccccc1 ZINC000044412233 175171782 /nfs/dbraw/zinc/17/17/82/175171782.db2.gz AZFLJQUGDVKVBW-UHFFFAOYSA-N 0 0 299.395 2.754 10 30 CFEERN N#Cc1cnc2ccccc2c1N(CCO)C1CCCC1 ZINC000044414899 175172783 /nfs/dbraw/zinc/17/27/83/175172783.db2.gz DFUPWDFSZHANOS-UHFFFAOYSA-N 0 0 281.359 2.848 10 30 CFEERN COC(=O)[C@@H](CC(C)C)Nc1ccc(C#N)cc1F ZINC000044421145 175173953 /nfs/dbraw/zinc/17/39/53/175173953.db2.gz RLEPJEUAMAFABX-CYBMUJFWSA-N 0 0 264.300 2.697 10 30 CFEERN N#Cc1cc(N)cnc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000044676508 175227096 /nfs/dbraw/zinc/22/70/96/175227096.db2.gz SLHYADMQZIVTOF-UONOGXRCSA-N 0 0 250.305 2.503 10 30 CFEERN CC1(NC(=O)c2ccc(C#CCCO)cc2)CCCCC1 ZINC000045047641 175297206 /nfs/dbraw/zinc/29/72/06/175297206.db2.gz UTQYZIOKSNQDGD-UHFFFAOYSA-N 0 0 285.387 2.873 10 30 CFEERN Cn1cc(Sc2c(C#N)cnc3ccccc32)cn1 ZINC000048772343 175447766 /nfs/dbraw/zinc/44/77/66/175447766.db2.gz GFKAFJZGKWKFHQ-UHFFFAOYSA-N 0 0 266.329 2.991 10 30 CFEERN CCCC[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1C ZINC000070432281 175927364 /nfs/dbraw/zinc/92/73/64/175927364.db2.gz SHZUZVJTXXASIR-LBPRGKRZSA-N 0 0 280.393 2.724 10 30 CFEERN Cc1ccc(C#CCCO)cc1NC(=O)[C@@H]1CCCS1 ZINC000070437904 175932438 /nfs/dbraw/zinc/93/24/38/175932438.db2.gz VFLVGABMBUUPKV-HNNXBMFYSA-N 0 0 289.400 2.563 10 30 CFEERN CCCCCOCc1ccc(F)cc1/C(N)=N/O ZINC000071267356 176101073 /nfs/dbraw/zinc/10/10/73/176101073.db2.gz VYROYEDKFOMCAV-UHFFFAOYSA-N 0 0 254.305 2.627 10 30 CFEERN CCCCCN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N ZINC000071679103 176243873 /nfs/dbraw/zinc/24/38/73/176243873.db2.gz VWEGRTQBFJVAIQ-HNNXBMFYSA-N 0 0 271.364 2.963 10 30 CFEERN CC[C@H](C)CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077302406 177250623 /nfs/dbraw/zinc/25/06/23/177250623.db2.gz DNNWUTZYPFHFCR-OTIXFSKASA-N 0 0 266.257 2.947 10 30 in-vitro CFEERN C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188101898 260071172 /nfs/dbraw/zinc/07/11/72/260071172.db2.gz OQLKUAQSLASVRV-DGCLKSJQSA-N 0 0 291.322 2.591 10 30 CFEERN C[C@H](Cn1cccn1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000329856338 227968154 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CFEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC#Cc1ccccc1 ZINC000248913483 334321892 /nfs/dbraw/zinc/32/18/92/334321892.db2.gz YXSCMGOVHKXIAS-KSZLIROESA-N 0 0 297.398 2.844 10 30 CFEERN CCCN[C@@](C)(C#N)COc1cc(F)cc(F)c1 ZINC000054933851 520031274 /nfs/dbraw/zinc/03/12/74/520031274.db2.gz CBGZFHBMWOAQRL-ZDUSSCGKSA-N 0 0 254.280 2.625 10 30 CFEERN C=CCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1 ZINC000119502361 500576180 /nfs/dbraw/zinc/57/61/80/500576180.db2.gz DDTSEUALIMOCFZ-UHFFFAOYSA-N 0 0 285.331 2.603 10 30 CFEERN CCCC[C@@H](C)NC(=O)c1ccc(C#CCCO)s1 ZINC000050890979 521006154 /nfs/dbraw/zinc/00/61/54/521006154.db2.gz HXEWHPWZMSYKSJ-GFCCVEGCSA-N 0 0 279.405 2.791 10 30 CFEERN CN[C@H](C#N)CCOc1ccccc1C(F)(F)F ZINC000062444708 522434335 /nfs/dbraw/zinc/43/43/35/522434335.db2.gz GUOAWVBJKQQRQU-VIFPVBQESA-N 0 0 258.243 2.586 10 30 CFEERN COc1ccccc1NC(=S)N/N=C(/C)c1ccc[nH]1 ZINC000097991756 534183561 /nfs/dbraw/zinc/18/35/61/534183561.db2.gz KTMUVHSWSGMUBL-YVLHZVERSA-N 0 0 288.376 2.734 10 30 CFEERN C#CCN[C@](C)(C(=O)OCC)c1ccc(C(C)C)cc1 ZINC000051965296 518293196 /nfs/dbraw/zinc/29/31/96/518293196.db2.gz AUAOVOPNIAHJKB-KRWDZBQOSA-N 0 0 273.376 2.811 10 30 CFEERN C#CCN[C@](C)(C(=O)OCC)c1ccc2ccccc2c1 ZINC000051965240 518293824 /nfs/dbraw/zinc/29/38/24/518293824.db2.gz HYWQIQYQKHZHSM-SFHVURJKSA-N 0 0 281.355 2.841 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@H]2CCCSC2)cc1 ZINC000061588650 518936484 /nfs/dbraw/zinc/93/64/84/518936484.db2.gz AUYUUGAWVKJNIY-AWEZNQCLSA-N 0 0 276.405 2.910 10 30 CFEERN C=CCN[C@](C(=O)OCC)(c1ccccc1)C(C)C ZINC000051961819 518961060 /nfs/dbraw/zinc/96/10/60/518961060.db2.gz QPIZWLCPNQGCIN-INIZCTEOSA-N 0 0 261.365 2.877 10 30 CFEERN CC(C)CCC(=O)N[C@@H](C)c1ccc(C#CCO)cc1 ZINC000049588416 519636070 /nfs/dbraw/zinc/63/60/70/519636070.db2.gz HJNIRXREEAKRHA-AWEZNQCLSA-N 0 0 273.376 2.644 10 30 CFEERN CC(C)CC[C@@H](C)NC(=O)c1ccccc1C#CCCO ZINC000069235750 519682316 /nfs/dbraw/zinc/68/23/16/519682316.db2.gz YIVMCYHSHKVFLP-OAHLLOKOSA-N 0 0 287.403 2.975 10 30 CFEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000150783325 519778396 /nfs/dbraw/zinc/77/83/96/519778396.db2.gz RSXPPWMZLAUPNG-ABAIWWIYSA-N 0 0 288.347 2.851 10 30 CFEERN CCC1CCC(NC(=O)c2ccc(C#CCO)s2)CC1 ZINC000049124728 519856447 /nfs/dbraw/zinc/85/64/47/519856447.db2.gz NAXYXZFFFMSJSG-UHFFFAOYSA-N 0 0 291.416 2.791 10 30 CFEERN CCCN[C@@H](C#N)CCN(CC(F)(F)F)C(C)C ZINC000062435708 519981678 /nfs/dbraw/zinc/98/16/78/519981678.db2.gz JBKMVNIXRUJOTF-LLVKDONJSA-N 0 0 265.323 2.541 10 30 CFEERN CCCN[C@H](C#N)CCN(CC(F)(F)F)C(C)C ZINC000062435705 520059465 /nfs/dbraw/zinc/05/94/65/520059465.db2.gz JBKMVNIXRUJOTF-NSHDSACASA-N 0 0 265.323 2.541 10 30 CFEERN CCCN[C@H](C#N)CCOc1ccc2c(c1)CCC2 ZINC000062444144 520061333 /nfs/dbraw/zinc/06/13/33/520061333.db2.gz WVDGBFDMMBZUBB-HNNXBMFYSA-N 0 0 258.365 2.836 10 30 CFEERN CCCNc1c(C#N)cnc2cc(OC)cc(OC)c21 ZINC000050842522 520127534 /nfs/dbraw/zinc/12/75/34/520127534.db2.gz RRATUPYYRPUTCG-UHFFFAOYSA-N 0 0 271.320 2.946 10 30 CFEERN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000156425227 520140829 /nfs/dbraw/zinc/14/08/29/520140829.db2.gz DHSDCAVSUSMUMY-ABAIWWIYSA-N 0 0 287.363 2.886 10 30 CFEERN CCNc1ccc(C(=O)Nc2cc(C#N)ccc2C)cn1 ZINC000050771559 520294506 /nfs/dbraw/zinc/29/45/06/520294506.db2.gz LJDKHIOTCJEFKO-UHFFFAOYSA-N 0 0 280.331 2.946 10 30 CFEERN CCNc1nc(-c2ccccc2[N+](=O)[O-])ccc1C#N ZINC000050871469 520352222 /nfs/dbraw/zinc/35/22/22/520352222.db2.gz XNGRSCTZBJOHBP-UHFFFAOYSA-N 0 0 268.276 2.960 10 30 CFEERN CCC[C@@H](C)COc1ccc(F)cc1C#CCO ZINC000051322883 520631403 /nfs/dbraw/zinc/63/14/03/520631403.db2.gz PNZSHSWAHBALHI-GFCCVEGCSA-N 0 0 250.313 2.985 10 30 CFEERN CCN(CC1(C=O)CCOCC1)c1cccc(C)c1 ZINC000052180093 520937145 /nfs/dbraw/zinc/93/71/45/520937145.db2.gz GRSORFADWWSWHT-UHFFFAOYSA-N 0 0 261.365 2.817 10 30 CFEERN CCC(CC)C(=O)N[C@@H](C)c1ccc(C#CCO)cc1 ZINC000049588539 521498419 /nfs/dbraw/zinc/49/84/19/521498419.db2.gz SYKYISWXKAIEMX-ZDUSSCGKSA-N 0 0 273.376 2.644 10 30 CFEERN CCC(CC)C(=O)Nc1cc(C#CCCO)ccc1OC ZINC000049589730 521500212 /nfs/dbraw/zinc/50/02/12/521500212.db2.gz QLKGQCLAUYSLHQ-UHFFFAOYSA-N 0 0 289.375 2.804 10 30 CFEERN CCC1(CC)CC(=O)N(c2cc(C#N)ccc2C)C1=O ZINC000050436429 521683408 /nfs/dbraw/zinc/68/34/08/521683408.db2.gz WYZFMJSKJXHYCA-UHFFFAOYSA-N 0 0 270.332 2.936 10 30 CFEERN COC(=O)c1cc(Nc2ccccc2C#N)c(F)cc1N ZINC000050019095 521897212 /nfs/dbraw/zinc/89/72/12/521897212.db2.gz IDRAIRUTORKYJU-UHFFFAOYSA-N 0 0 285.278 2.810 10 30 CFEERN CN[C@@H](C#N)CCOc1ccccc1C(F)(F)F ZINC000062444711 522317716 /nfs/dbraw/zinc/31/77/16/522317716.db2.gz GUOAWVBJKQQRQU-SECBINFHSA-N 0 0 258.243 2.586 10 30 CFEERN Cc1nc2cc(C(=O)N[C@H]3CCC(=O)NC3)ccc2o1 ZINC000329916928 534636940 /nfs/dbraw/zinc/63/69/40/534636940.db2.gz QOAXMJLOXVRBED-JTQLQIEISA-N 0 0 273.292 2.560 10 30 CFEERN CNc1c(C#N)cnc2c(Br)cccc21 ZINC000050842651 522535017 /nfs/dbraw/zinc/53/50/17/522535017.db2.gz MZONHLXQHMBUMT-UHFFFAOYSA-N 0 0 262.110 2.911 10 30 CFEERN CNc1c(F)cccc1C(=O)N(CCC#N)C(C)C ZINC000054211826 522544477 /nfs/dbraw/zinc/54/44/77/522544477.db2.gz LZNSNQSKNCWMHR-UHFFFAOYSA-N 0 0 263.316 2.632 10 30 CFEERN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#CCO)cc1 ZINC000049124619 523042440 /nfs/dbraw/zinc/04/24/40/523042440.db2.gz XBELUWAHCRHRAZ-RDJZCZTQSA-N 0 0 285.387 2.729 10 30 CFEERN CC[C@@H]1CCCN(C(=O)[C@@H](C#N)c2ccccc2)C1 ZINC000061614566 523239355 /nfs/dbraw/zinc/23/93/55/523239355.db2.gz QIYWRDIAUXXIRW-HIFRSBDPSA-N 0 0 256.349 2.942 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1nc(C2CC2)n2ccccc12 ZINC000329191804 534751020 /nfs/dbraw/zinc/75/10/20/534751020.db2.gz SMWOJWWIFBMLRB-CHWSQXEVSA-N 0 0 294.358 2.634 10 30 CFEERN COc1ccc(N)cc1C(=O)Nc1cc(C#N)ccc1C ZINC000050428772 524375461 /nfs/dbraw/zinc/37/54/61/524375461.db2.gz YZOOHCAOXHDBIG-UHFFFAOYSA-N 0 0 281.315 2.710 10 30 CFEERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(C#N)c1 ZINC000172969829 524817843 /nfs/dbraw/zinc/81/78/43/524817843.db2.gz FJRZSVRDHCVUMU-AWEZNQCLSA-N 0 0 294.354 2.893 10 30 CFEERN C[C@H]1C[C@H]1C(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691741 524949618 /nfs/dbraw/zinc/94/96/18/524949618.db2.gz HBZDTAPBRRTCBO-CMPLNLGQSA-N 0 0 277.751 2.668 10 30 CFEERN C[C@@H](NC(=O)C(C)(C)C)c1cccc(C#CCCO)c1 ZINC000049589636 525053139 /nfs/dbraw/zinc/05/31/39/525053139.db2.gz KJAYLEBGFORXRZ-CYBMUJFWSA-N 0 0 273.376 2.644 10 30 CFEERN COc1ncccc1CN[C@@H]1CCCCC[C@H]1C#N ZINC000054825489 525061672 /nfs/dbraw/zinc/06/16/72/525061672.db2.gz FSJVOPNCQYCZTN-GXTWGEPZSA-N 0 0 259.353 2.652 10 30 CFEERN C[C@H](NC(=O)c1ccccc1)c1ccc(C#CCO)cc1 ZINC000049588457 525235882 /nfs/dbraw/zinc/23/58/82/525235882.db2.gz YPZVIZODOYYVBU-AWEZNQCLSA-N 0 0 279.339 2.521 10 30 CFEERN CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054823825 525260504 /nfs/dbraw/zinc/26/05/04/525260504.db2.gz WOPCOKAXYHACNB-SMDDNHRTSA-N 0 0 278.377 2.584 10 30 CFEERN Cc1ccccc1OCc1cccc(C#CCO)c1 ZINC000049620364 525316783 /nfs/dbraw/zinc/31/67/83/525316783.db2.gz QIERVIIACCZMAR-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN Cc1c(C)n(Cc2ccc(F)cc2F)c(N)c1C#N ZINC000051017726 525685442 /nfs/dbraw/zinc/68/54/42/525685442.db2.gz OWDVECLTGBTQQL-UHFFFAOYSA-N 0 0 261.275 2.885 10 30 CFEERN Cc1ccnc(Sc2ccc(/C(N)=N/O)cc2Cl)n1 ZINC000062795022 525710511 /nfs/dbraw/zinc/71/05/11/525710511.db2.gz ROYQMASESVLSAG-UHFFFAOYSA-N 0 0 294.767 2.684 10 30 CFEERN C[C@@H](Nc1ncc(N)cc1C#N)c1ccccc1F ZINC000049528847 525728586 /nfs/dbraw/zinc/72/85/86/525728586.db2.gz HOOMKAVARHRHEO-SECBINFHSA-N 0 0 256.284 2.848 10 30 CFEERN Cc1nc(C)c(CNC(=O)[C@]2(C)CCCNC2=O)o1 ZINC000329187751 534881197 /nfs/dbraw/zinc/88/11/97/534881197.db2.gz QFHUSHKWTWQGAV-CYBMUJFWSA-N 0 0 265.313 2.505 10 30 CFEERN Cc1ccsc1C(=O)NCc1cccc(C#CCCO)c1 ZINC000049589356 525823158 /nfs/dbraw/zinc/82/31/58/525823158.db2.gz IBLONKZVFNOXST-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN Cc1ccc(C#N)cc1N1C(=O)Cc2ccccc2C1=O ZINC000050436413 525995329 /nfs/dbraw/zinc/99/53/29/525995329.db2.gz AXBPLOKKMQKPTE-UHFFFAOYSA-N 0 0 276.295 2.596 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)CNc1ccccc1 ZINC000050430463 525997639 /nfs/dbraw/zinc/99/76/39/525997639.db2.gz JFHVUOOKHMNHCZ-UHFFFAOYSA-N 0 0 265.316 2.917 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1ccc(F)c(N)c1 ZINC000050428725 526004667 /nfs/dbraw/zinc/00/46/67/526004667.db2.gz JXPMQPYBJYETOW-UHFFFAOYSA-N 0 0 269.279 2.840 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1N ZINC000050428745 526005005 /nfs/dbraw/zinc/00/50/05/526005005.db2.gz SALJLJQIHBDBQM-UHFFFAOYSA-N 0 0 269.279 2.840 10 30 CFEERN COc1cccc(OCc2ccc(F)cc2C#CCO)c1 ZINC000049620150 526236323 /nfs/dbraw/zinc/23/63/23/526236323.db2.gz CPUXQGXTDMPJFE-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN Cc1nn(Cc2ccc(C#CCO)s2)c(C)c1Cl ZINC000050587900 526287682 /nfs/dbraw/zinc/28/76/82/526287682.db2.gz KDWREYCRBRKYRM-UHFFFAOYSA-N 0 0 280.780 2.607 10 30 CFEERN Cc1nn(Cc2sccc2C#CCO)c(C)c1Cl ZINC000050587928 526299997 /nfs/dbraw/zinc/29/99/97/526299997.db2.gz MENFTJIIXCWTPK-UHFFFAOYSA-N 0 0 280.780 2.607 10 30 CFEERN Cc1csc([C@@H]2CN(Cc3ccc(C#N)cc3)CCO2)n1 ZINC000157076776 526423941 /nfs/dbraw/zinc/42/39/41/526423941.db2.gz XQBYSXRORRKUER-HNNXBMFYSA-N 0 0 299.399 2.897 10 30 CFEERN Cc1csc([C@H]2CN(Cc3cccc(C#N)c3)CCO2)n1 ZINC000157065712 526445258 /nfs/dbraw/zinc/44/52/58/526445258.db2.gz ARQWDZXIKIOHRB-OAHLLOKOSA-N 0 0 299.399 2.897 10 30 CFEERN N#CC[C@H](NCCc1cccnc1)c1ccccc1 ZINC000055017084 526480298 /nfs/dbraw/zinc/48/02/98/526480298.db2.gz DPDRVSWIPFBTEZ-INIZCTEOSA-N 0 0 251.333 2.869 10 30 CFEERN N#Cc1cc(N)ccc1OCc1ccc(F)cc1F ZINC000050871854 526563596 /nfs/dbraw/zinc/56/35/96/526563596.db2.gz XYTZLAMMEBGGMN-UHFFFAOYSA-N 0 0 260.243 2.998 10 30 CFEERN N#Cc1cc(NCc2ccc(C(N)=O)cc2F)ccc1F ZINC000051636823 526571965 /nfs/dbraw/zinc/57/19/65/526571965.db2.gz JGSLDVSBOYBORA-UHFFFAOYSA-N 0 0 287.269 2.547 10 30 CFEERN N#Cc1cc2c(nc1Sc1ccncc1N)CCCC2 ZINC000050472029 526581687 /nfs/dbraw/zinc/58/16/87/526581687.db2.gz HLZUBOSDNVEHRB-UHFFFAOYSA-N 0 0 282.372 2.960 10 30 CFEERN N#Cc1ccc(-n2nc(C(F)F)c(CO)c2Cl)cc1 ZINC000061629117 526583670 /nfs/dbraw/zinc/58/36/70/526583670.db2.gz KNGCCYLDRWDHIX-UHFFFAOYSA-N 0 0 283.665 2.827 10 30 CFEERN N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000069401728 526640646 /nfs/dbraw/zinc/64/06/46/526640646.db2.gz FOFUZEDQADDPNK-OAHLLOKOSA-N 0 0 290.338 2.917 10 30 CFEERN O=C(NCc1ccc(C#CCO)cc1)c1ccc(Cl)cc1 ZINC000049587879 526652256 /nfs/dbraw/zinc/65/22/56/526652256.db2.gz SDRONHRHQLNWDE-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN O=C(NCc1ccc(C#CCO)cc1)c1cccc(Cl)c1 ZINC000049587883 526652685 /nfs/dbraw/zinc/65/26/85/526652685.db2.gz SDPCMBDGGZGCJN-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@@H]2C[C@H]2CCC)nc1 ZINC000301466976 526655954 /nfs/dbraw/zinc/65/59/54/526655954.db2.gz XTZQONXMACTNKU-DGCLKSJQSA-N 0 0 259.353 2.598 10 30 CFEERN C=CCO[C@H]1CCN(c2cncc(Br)c2)C1 ZINC000302137917 526820309 /nfs/dbraw/zinc/82/03/09/526820309.db2.gz IKTWFZBKIRAJPL-LBPRGKRZSA-N 0 0 283.169 2.625 10 30 CFEERN C=CCO[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000302201802 526820723 /nfs/dbraw/zinc/82/07/23/526820723.db2.gz ZPRFHACRSWEUPD-JTQLQIEISA-N 0 0 296.298 2.524 10 30 CFEERN O=C1CCCCCCN1Cc1cccc(C#CCCO)c1 ZINC000049618806 526969304 /nfs/dbraw/zinc/96/93/04/526969304.db2.gz BFZDHHBUUOCOGI-UHFFFAOYSA-N 0 0 285.387 2.713 10 30 CFEERN Cc1nn(-c2cc(Cl)ccc2/C(N)=N/O)c(C)c1Cl ZINC000062789585 527517361 /nfs/dbraw/zinc/51/73/61/527517361.db2.gz VFSOXTUYCHSJHX-UHFFFAOYSA-N 0 0 299.161 2.890 10 30 CFEERN OCC#Cc1cccc(COCc2ccccc2F)c1 ZINC000069285307 527519497 /nfs/dbraw/zinc/51/94/97/527519497.db2.gz RYVIKDNZTSKCLI-UHFFFAOYSA-N 0 0 270.303 2.886 10 30 CFEERN OCC#Cc1cccc(COc2cccc(F)c2)c1 ZINC000049620529 527519942 /nfs/dbraw/zinc/51/99/42/527519942.db2.gz DKJGNWWTWXOAGC-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN OCC#Cc1cccc(OCCOc2cccc(F)c2)c1 ZINC000049620516 527520697 /nfs/dbraw/zinc/52/06/97/527520697.db2.gz OFLICPUIIMBIFI-UHFFFAOYSA-N 0 0 286.302 2.627 10 30 CFEERN OCCC#Cc1ccc(COc2ccccc2)cc1 ZINC000049620406 527531115 /nfs/dbraw/zinc/53/11/15/527531115.db2.gz FAORZCIBVVNPMC-UHFFFAOYSA-N 0 0 252.313 3.000 10 30 CFEERN CC(N=Nc1nncc2ccccc21)c1ccc[nH]1 ZINC000097991668 527537487 /nfs/dbraw/zinc/53/74/87/527537487.db2.gz PBGXXRUADGMJOH-YVLHZVERSA-N 0 0 251.293 2.794 10 30 CFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H](CO)CC1CCCC1 ZINC000330189594 527807532 /nfs/dbraw/zinc/80/75/32/527807532.db2.gz VJHFATYKJYLLJX-RRFJBIMHSA-N 0 0 283.412 2.945 10 30 CFEERN CCCCCCCCNC(=O)CCCC(=O)OC ZINC000098001240 528129278 /nfs/dbraw/zinc/12/92/78/528129278.db2.gz DWZKHCXRZHZSIG-UHFFFAOYSA-N 0 0 257.374 2.806 10 30 CFEERN C=C[C@@H](C)NC(=S)NCc1ccc(Cl)cc1 ZINC000757135428 617781616 /nfs/dbraw/zinc/78/16/16/617781616.db2.gz TZPDCCXCABBIJJ-SECBINFHSA-N 0 0 254.786 2.879 10 30 CFEERN C=C[C@@H](C)NC(=S)NCc1ccccc1Cl ZINC000757133293 617769033 /nfs/dbraw/zinc/76/90/33/617769033.db2.gz HSYZCPGVQBVQJP-SECBINFHSA-N 0 0 254.786 2.879 10 30 CFEERN Cc1nn(C2CCCCCC2)cc1COS(C)(=O)=O ZINC000757195603 617883485 /nfs/dbraw/zinc/88/34/85/617883485.db2.gz JAAKKXODKRHAKL-UHFFFAOYSA-N 0 0 286.397 2.563 10 30 CFEERN CCO[C@H]1C[C@@H](OC(=O)CSCC#N)C12CCCC2 ZINC000119711399 617967639 /nfs/dbraw/zinc/96/76/39/617967639.db2.gz WBQDQWHPFBOQSU-NWDGAFQWSA-N 0 0 283.393 2.524 10 30 CFEERN COC(=O)c1ccccc1N(C)Cc1ccc(C#N)cc1 ZINC000049854604 617994587 /nfs/dbraw/zinc/99/45/87/617994587.db2.gz MXYHXCPOCUPGKU-UHFFFAOYSA-N 0 0 280.327 2.981 10 30 CFEERN Cc1nc(C#N)cc(N[C@H](C)COCc2ccccc2)n1 ZINC000308259732 618197501 /nfs/dbraw/zinc/19/75/01/618197501.db2.gz LTZJZFULFLOFPN-GFCCVEGCSA-N 0 0 282.347 2.674 10 30 CFEERN C#CCCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179321255 618259016 /nfs/dbraw/zinc/25/90/16/618259016.db2.gz ODZBRMWXBFSSNP-OAHLLOKOSA-N 0 0 274.339 2.916 10 30 CFEERN C#CC[C@H](OC(=O)C1CCC(C(=O)OC)CC1)C(C)C ZINC000181210514 618685486 /nfs/dbraw/zinc/68/54/86/618685486.db2.gz OIYFWXMIDFJLKR-RUXDESIVSA-N 0 0 280.364 2.557 10 30 CFEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000312001017 618851722 /nfs/dbraw/zinc/85/17/22/618851722.db2.gz PRVVBDIFVKVSGQ-AAEUAGOBSA-N 0 0 278.739 2.965 10 30 CFEERN C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC1 ZINC000180073455 618858319 /nfs/dbraw/zinc/85/83/19/618858319.db2.gz RNCSSJJRYKGVEZ-JSGCOSHPSA-N 0 0 285.343 2.824 10 30 CFEERN C[C@H]1OCCC[C@H]1C(=O)OCC(C)(C)CCC#N ZINC000195046381 618945422 /nfs/dbraw/zinc/94/54/22/618945422.db2.gz JHQPHONPHXKJGM-VXGBXAGGSA-N 0 0 253.342 2.675 10 30 CFEERN COc1ccc(CN[C@H](C)c2ncc(C)o2)cc1C#N ZINC000220955920 619450650 /nfs/dbraw/zinc/45/06/50/619450650.db2.gz JUFYWXSPWDZMJM-LLVKDONJSA-N 0 0 271.320 2.714 10 30 CFEERN Cc1nn(C)c(C)c1/C=C1/Cc2ccccc2C1=O ZINC000096569035 620432855 /nfs/dbraw/zinc/43/28/55/620432855.db2.gz BXLZGDOPPMYKTQ-LCYFTJDESA-N 0 0 252.317 2.859 10 30 CFEERN C=CCC(C)(C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899085587 620520928 /nfs/dbraw/zinc/52/09/28/620520928.db2.gz KYWCGPRHWNCRPD-ZDUSSCGKSA-N 0 0 288.395 2.531 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149527202 622194829 /nfs/dbraw/zinc/19/48/29/622194829.db2.gz 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/nfs/dbraw/zinc/76/64/97/382766497.db2.gz OIGLGRXXFXGZPQ-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN COC(=O)c1cc(C=O)c(C#N)c(SC(F)(F)F)c1 ZINC000575390878 382766532 /nfs/dbraw/zinc/76/65/32/382766532.db2.gz ABDIGLJOKPVRGS-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(C=O)cc(C#N)c1SC(F)(F)F ZINC000575391077 382766735 /nfs/dbraw/zinc/76/67/35/382766735.db2.gz ISMYCGDNVZCNMD-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)Cc1ccc(SC(F)(F)F)c(C#N)c1O ZINC000575392416 382767145 /nfs/dbraw/zinc/76/71/45/382767145.db2.gz ZRPCWESIPZFAMX-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)Cc1c(O)cc(SC(F)(F)F)cc1C#N ZINC000575392047 382767154 /nfs/dbraw/zinc/76/71/54/382767154.db2.gz NCRFLQZPOUAHTF-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1cc(O)cc(C#N)c1SC(F)(F)F ZINC000575392013 382767285 /nfs/dbraw/zinc/76/72/85/382767285.db2.gz LFSXVLIHQKBIFR-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN CCOC(=O)c1c(OC(F)(F)F)ccc(C)c1C#N ZINC000575394622 382768243 /nfs/dbraw/zinc/76/82/43/382768243.db2.gz NZORHYPPUHYPRT-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1c(OC)ccc(C#N)c1C(F)(F)F ZINC000575395172 382768525 /nfs/dbraw/zinc/76/85/25/382768525.db2.gz ZAJVNZDGDZRFFE-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(OC)c1C#N ZINC000575394916 382768610 /nfs/dbraw/zinc/76/86/10/382768610.db2.gz SSOIHPCERKAMHQ-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)c(C(F)(F)F)c1 ZINC000575395161 382768630 /nfs/dbraw/zinc/76/86/30/382768630.db2.gz PKINQDLVAGCMRZ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575395750 382768762 /nfs/dbraw/zinc/76/87/62/382768762.db2.gz OWUYVDSFLBMADG-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)c1c(C#N)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575395479 382768890 /nfs/dbraw/zinc/76/88/90/382768890.db2.gz FDBFQDPNAWYQJH-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C#N)c(C(F)(F)F)c1 ZINC000575395325 382768919 /nfs/dbraw/zinc/76/89/19/382768919.db2.gz YEPMFOXEWKNWPA-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1C ZINC000575395220 382769007 /nfs/dbraw/zinc/76/90/07/382769007.db2.gz SOTXALVYKNHVKK-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN N#CCc1nccc(C(F)(F)F)c1OC(F)F ZINC000575396922 382769064 /nfs/dbraw/zinc/76/90/64/382769064.db2.gz OEUXSGOVFLDPEO-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1nc(OC(F)F)ccc1C(F)(F)F ZINC000575396920 382769209 /nfs/dbraw/zinc/76/92/09/382769209.db2.gz LLGONPCBZAJVOQ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1ccc2c(c1)OCO2 ZINC000575434167 382770912 /nfs/dbraw/zinc/77/09/12/382770912.db2.gz NCGNXCYHVRQAOC-LLVKDONJSA-N 0 0 293.319 2.570 10 30 CFEERN C=C(Br)CNc1cnn(C)c1Br ZINC000575530217 382773466 /nfs/dbraw/zinc/77/34/66/382773466.db2.gz CLOUSQDITWPWGW-UHFFFAOYSA-N 0 0 294.978 2.503 10 30 CFEERN CCOc1cc(CC#N)cc(OC(F)F)c1C=O ZINC000575655308 382779355 /nfs/dbraw/zinc/77/93/55/382779355.db2.gz CAZKLBYTXGVBNY-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN CCOc1ccc(OC)c(CC#N)c1OC(F)F ZINC000575658222 382780404 /nfs/dbraw/zinc/78/04/04/382780404.db2.gz QWIFQHJSELRFFN-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1cc(N)c(Cl)c(I)c1 ZINC000575715901 382794846 /nfs/dbraw/zinc/79/48/46/382794846.db2.gz YAZQPRZRXLDDEM-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOc1cc(OC)cc(OC(F)F)c1CC#N ZINC000575658106 382780499 /nfs/dbraw/zinc/78/04/99/382780499.db2.gz PUUKMBYUTOLCMT-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#Cc1ccc(OC(F)F)c(O)c1C(F)(F)F ZINC000575661895 382781524 /nfs/dbraw/zinc/78/15/24/382781524.db2.gz OQUBVXNBLIWDPA-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1cc(OC(F)F)c(OC(F)(F)F)cc1O ZINC000575661751 382781533 /nfs/dbraw/zinc/78/15/33/382781533.db2.gz KZSKFDJEPMXTDO-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#CCc1ccc(OC(F)(F)F)c(OC(F)F)c1N ZINC000575716430 382795011 /nfs/dbraw/zinc/79/50/11/382795011.db2.gz ATIFSKXMMJKOMD-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN CCOc1cc(CC#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575668314 382783256 /nfs/dbraw/zinc/78/32/56/382783256.db2.gz VMDNJDBDSYLJPV-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1c(CC#N)cc([N+](=O)[O-])cc1C(F)F ZINC000575668442 382783284 /nfs/dbraw/zinc/78/32/84/382783284.db2.gz XZCZWCFUIFXGLR-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOC(=O)c1c(C#N)cc(OCC)cc1OC(F)F ZINC000575670404 382783512 /nfs/dbraw/zinc/78/35/12/382783512.db2.gz GZJBHUXNXLSZLK-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(F)c(I)c(C#N)c1 ZINC000575670323 382783597 /nfs/dbraw/zinc/78/35/97/382783597.db2.gz JKKWXOOUTNAVBD-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(C#N)c(C)cc1I ZINC000575670481 382783605 /nfs/dbraw/zinc/78/36/05/382783605.db2.gz IURLFXIRCVNBSC-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)Cc1cc(OCC)c(C#N)c(OC(F)F)c1 ZINC000575670484 382783655 /nfs/dbraw/zinc/78/36/55/382783655.db2.gz IWOZGRYOOAYAKM-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1cc(F)c(I)cc1C#N ZINC000575670043 382783697 /nfs/dbraw/zinc/78/36/97/382783697.db2.gz DGMOGXIRXVCUOM-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN N#CCc1ccc(OC(F)F)c(C(F)(F)F)c1N ZINC000575716471 382795062 /nfs/dbraw/zinc/79/50/62/382795062.db2.gz BSFZROQTMUISLD-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN Cc1cc(C)c(C#N)c(I)c1 ZINC000575671391 382783866 /nfs/dbraw/zinc/78/38/66/382783866.db2.gz JGVVBMOVIKEUNO-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN CCOC(=O)c1c(OCC)cc(C#N)cc1OCC ZINC000575671315 382783872 /nfs/dbraw/zinc/78/38/72/382783872.db2.gz QYJJIOISXJOHTP-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOc1cc(I)c(F)cc1C#N ZINC000575671358 382783919 /nfs/dbraw/zinc/78/39/19/382783919.db2.gz WVLXBNDZXBYJHA-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(C(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575671408 382783934 /nfs/dbraw/zinc/78/39/34/382783934.db2.gz RNZNKPRRPZEJJT-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)c1cc(OCC)c(C#N)c(OC(F)F)c1 ZINC000575671305 382783992 /nfs/dbraw/zinc/78/39/92/382783992.db2.gz QGSALXCWSMOSOZ-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN Cc1cc(CC#N)c([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575673765 382784290 /nfs/dbraw/zinc/78/42/90/382784290.db2.gz NLAVNLRPNMJWSH-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1cc(Cl)cc([N+](=O)[O-])c1Br ZINC000575677407 382784524 /nfs/dbraw/zinc/78/45/24/382784524.db2.gz LGSCNQCKXYHTNV-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COc1cc(CC#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575679230 382785313 /nfs/dbraw/zinc/78/53/13/382785313.db2.gz PHPZPGIETRSOSZ-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN COc1cc(CC#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575679479 382785676 /nfs/dbraw/zinc/78/56/76/382785676.db2.gz TYYGTMMPOMWTKY-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1c(O)ccc(Br)c1OC(F)F ZINC000575681813 382786400 /nfs/dbraw/zinc/78/64/00/382786400.db2.gz CTIZEIVYLPJPDZ-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(N)c(OC(F)(F)F)ccc1OC(F)F ZINC000575717754 382795269 /nfs/dbraw/zinc/79/52/69/382795269.db2.gz TUQSLDZIYZXVDU-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1c(Br)ccc([N+](=O)[O-])c1OC(F)F ZINC000575685078 382787586 /nfs/dbraw/zinc/78/75/86/382787586.db2.gz JNRRYXLEJVWJSE-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1ccc(Br)c(OC(F)F)c1[N+](=O)[O-] ZINC000575685859 382787934 /nfs/dbraw/zinc/78/79/34/382787934.db2.gz LZWZMTUDBQAYLA-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN COc1cc(I)cc(F)c1CC#N ZINC000575704362 382791808 /nfs/dbraw/zinc/79/18/08/382791808.db2.gz CRRSDSFYENKYIM-UHFFFAOYSA-N 0 0 291.063 2.505 10 30 CFEERN N#CCc1cccc(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000194888326 382756769 /nfs/dbraw/zinc/75/67/69/382756769.db2.gz JOSNAJWUZFOITB-HNNXBMFYSA-N 0 0 278.311 2.616 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1Cl ZINC000575342963 382759296 /nfs/dbraw/zinc/75/92/96/382759296.db2.gz ALYLNXQEZBJLSX-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(CC)cc(Br)c1C#N ZINC000575341629 382759319 /nfs/dbraw/zinc/75/93/19/382759319.db2.gz VDDJKWQJADNFTG-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)c1cc(Cl)c(C#N)c(OC(F)F)c1 ZINC000575342961 382759356 /nfs/dbraw/zinc/75/93/56/382759356.db2.gz ADALUBCAZWADAH-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN N#Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(N)=O ZINC000575340984 382759401 /nfs/dbraw/zinc/75/94/01/382759401.db2.gz IHGJBRDCLWFEPA-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC)c1C(F)F ZINC000575343575 382759684 /nfs/dbraw/zinc/75/96/84/382759684.db2.gz KUOMXZQZPVYKIY-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(C#N)c(OC)ccc1C(F)F ZINC000575343558 382759686 /nfs/dbraw/zinc/75/96/86/382759686.db2.gz IMMWQBDUAVWZEI-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)F)c(OC)c1C#N ZINC000575343564 382759688 /nfs/dbraw/zinc/75/96/88/382759688.db2.gz JNPIUYNWSSJEAP-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C)c1C(F)F ZINC000575343690 382759982 /nfs/dbraw/zinc/75/99/82/382759982.db2.gz BIAKBFMOLXAPAM-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cccc(C#N)c1C(F)(F)F ZINC000575345368 382760289 /nfs/dbraw/zinc/76/02/89/382760289.db2.gz XKDBTMHWQSJIGF-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)Cc1c(F)ccc(C#N)c1C(F)(F)F ZINC000575345063 382760291 /nfs/dbraw/zinc/76/02/91/382760291.db2.gz UIXQBWKGFFWFLJ-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1cc(C#N)c(F)c(C(F)(F)F)c1 ZINC000575345133 382760354 /nfs/dbraw/zinc/76/03/54/382760354.db2.gz XVUQYUARCDWNKS-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C(F)(F)F)c(C#N)c1 ZINC000575345045 382760433 /nfs/dbraw/zinc/76/04/33/382760433.db2.gz RNGMIABVMYKEAQ-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN N#CCc1cc([N+](=O)[O-])cc(F)c1OC(F)(F)F ZINC000575710540 382793297 /nfs/dbraw/zinc/79/32/97/382793297.db2.gz JQDFMFWIMWQPHN-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN O=C(NO)c1ccc(-c2ccc(Br)cc2)o1 ZINC000226290103 382826054 /nfs/dbraw/zinc/82/60/54/382826054.db2.gz WAOBCPSUZZKPIN-UHFFFAOYSA-N 0 0 282.093 2.828 10 30 CFEERN Cc1nc(CNc2cc(C)nc(C)c2C#N)oc1C ZINC000227592570 382838188 /nfs/dbraw/zinc/83/81/88/382838188.db2.gz WNDGLCJTOJOACA-UHFFFAOYSA-N 0 0 256.309 2.787 10 30 CFEERN Cc1nc(CNc2cc(C#N)ccc2[N+](=O)[O-])oc1C ZINC000231775045 382867121 /nfs/dbraw/zinc/86/71/21/382867121.db2.gz FFVNANAZGQPACS-UHFFFAOYSA-N 0 0 272.264 2.683 10 30 CFEERN COc1ccc(Oc2cccc(C#N)n2)cc1[N+](=O)[O-] ZINC000232311269 382868249 /nfs/dbraw/zinc/86/82/49/382868249.db2.gz AEIDUJLZOMZOPR-UHFFFAOYSA-N 0 0 271.232 2.662 10 30 CFEERN N#Cc1nc(NCCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000236152178 382892291 /nfs/dbraw/zinc/89/22/91/382892291.db2.gz YBLNUINZXWJDIY-UHFFFAOYSA-N 0 0 286.266 2.655 10 30 CFEERN N#Cc1ccc(CNCC(F)(F)C(F)F)c(F)c1 ZINC000236215923 382892744 /nfs/dbraw/zinc/89/27/44/382892744.db2.gz PTWYELTZPMQQDG-UHFFFAOYSA-N 0 0 264.197 2.687 10 30 CFEERN C=C(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C ZINC000584643233 383113143 /nfs/dbraw/zinc/11/31/43/383113143.db2.gz NCMGZKLRNCVWJV-UHFFFAOYSA-N 0 0 256.342 2.721 10 30 CFEERN N#Cc1nccc(N2CCCC[C@H]2c2nccs2)n1 ZINC000520464458 383257600 /nfs/dbraw/zinc/25/76/00/383257600.db2.gz BQFHOCJMJLIMJD-JTQLQIEISA-N 0 0 271.349 2.536 10 30 CFEERN C(#Cc1ccccc1)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000248815863 383292790 /nfs/dbraw/zinc/29/27/90/383292790.db2.gz DNSQRUQRPQDDSB-IAGOWNOFSA-N 0 0 255.361 2.682 10 30 CFEERN Cc1ccc(C(=O)ON=C2c3ccccc3N(C)C2=O)cc1 ZINC000254833301 383470853 /nfs/dbraw/zinc/47/08/53/383470853.db2.gz GEMIRGRBXBRFGK-UHFFFAOYSA-N 0 0 294.310 2.533 10 30 CFEERN CCOc1cc(Br)c(C=NO)cc1OC ZINC000254836222 383472124 /nfs/dbraw/zinc/47/21/24/383472124.db2.gz RZYQWZHRCHHFBV-UHFFFAOYSA-N 0 0 274.114 2.665 10 30 CFEERN N#Cc1sc(N2CC[C@@]3(O)CCCC[C@H]3C2)nc1Cl ZINC000286280647 385582304 /nfs/dbraw/zinc/58/23/04/385582304.db2.gz RDJNETDTCPCLGF-ZANVPECISA-N 0 0 297.811 2.800 10 30 CFEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H]1CCCCO1 ZINC000329240733 227374615 /nfs/dbraw/zinc/37/46/15/227374615.db2.gz MXRXMCJEPRYNKD-NWDGAFQWSA-N 0 0 268.357 2.659 10 30 CFEERN N#Cc1ccc(N[C@H]2CCN(c3ccccc3)C2)nc1 ZINC000264448199 131453158 /nfs/dbraw/zinc/45/31/58/131453158.db2.gz YELCPKRGLGAQPY-AWEZNQCLSA-N 0 0 264.332 2.644 10 30 CFEERN C=C(C)CN(C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000181274228 413055203 /nfs/dbraw/zinc/05/52/03/413055203.db2.gz HHOYTPUJAWFPHY-CQSZACIVSA-N 0 0 276.380 2.809 10 30 CFEERN Cc1cc(C#N)ccc1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000186316539 393543464 /nfs/dbraw/zinc/54/34/64/393543464.db2.gz KVEOJDBYWGXEFN-OAHLLOKOSA-N 0 0 281.363 2.712 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](C)C#N)[C@H](C)C2 ZINC000182754271 393513754 /nfs/dbraw/zinc/51/37/54/393513754.db2.gz RLIDYQKRKMAFSA-YWPYICTPSA-N 0 0 271.364 2.687 10 30 CFEERN C[C@H]1C[C@@H](O)CN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000335240169 393654934 /nfs/dbraw/zinc/65/49/34/393654934.db2.gz VTUZXRUMCBJESV-JOYOIKCWSA-N 0 0 284.281 2.784 10 30 CFEERN CC(=O)N[C@H](C)c1cccc(C#C[Si](C)(C)C)n1 ZINC000203253993 393749309 /nfs/dbraw/zinc/74/93/09/393749309.db2.gz FBLARMOIQCGVNC-LLVKDONJSA-N 0 0 260.413 2.508 10 30 CFEERN Cc1cc(NCC2(O)CCCCC2)c(C#N)c(C)n1 ZINC000211392234 393753601 /nfs/dbraw/zinc/75/36/01/393753601.db2.gz SEXLWOVOEIGJKM-UHFFFAOYSA-N 0 0 259.353 2.677 10 30 CFEERN C=CCN(Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000195066122 393729292 /nfs/dbraw/zinc/72/92/92/393729292.db2.gz VAJNSCUGHFVNHU-UHFFFAOYSA-N 0 0 282.391 2.881 10 30 CFEERN C=CCOC(=O)c1cc(N)ccc1N1CCC(C)CC1 ZINC000226278767 393770732 /nfs/dbraw/zinc/77/07/32/393770732.db2.gz AQXRPMPIIFOCFY-UHFFFAOYSA-N 0 0 274.364 2.848 10 30 CFEERN CC(C)(CCC#N)CN1CCO[C@H](c2nccs2)C1 ZINC000092832053 393793472 /nfs/dbraw/zinc/79/34/72/393793472.db2.gz DCLOMIXPDZGMDM-LBPRGKRZSA-N 0 0 279.409 2.846 10 30 CFEERN C=CCCS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000121196332 393951837 /nfs/dbraw/zinc/95/18/37/393951837.db2.gz SMOCEDQIRPAQJP-LLVKDONJSA-N 0 0 286.422 2.576 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C#N)c2)O1 ZINC000127041525 394041762 /nfs/dbraw/zinc/04/17/62/394041762.db2.gz LVSRDDXVTMAHRF-PELKAZGASA-N 0 0 264.712 2.718 10 30 CFEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000151048337 394259127 /nfs/dbraw/zinc/25/91/27/394259127.db2.gz QNZCDKRFOHOZLJ-BBRMVZONSA-N 0 0 284.359 2.640 10 30 CFEERN C=CCN(CCO)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000157707844 394349141 /nfs/dbraw/zinc/34/91/41/394349141.db2.gz PSGPIYUATKOZST-UHFFFAOYSA-N 0 0 270.254 2.562 10 30 CFEERN C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccs1 ZINC000173361458 394375792 /nfs/dbraw/zinc/37/57/92/394375792.db2.gz NZWQHELPBBAHCK-SNVBAGLBSA-N 0 0 289.364 2.741 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000177827622 394384995 /nfs/dbraw/zinc/38/49/95/394384995.db2.gz BZPVJOAYRGXWNX-QWRGUYRKSA-N 0 0 299.296 2.748 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000177827632 394385027 /nfs/dbraw/zinc/38/50/27/394385027.db2.gz BZPVJOAYRGXWNX-GHMZBOCLSA-N 0 0 299.296 2.748 10 30 CFEERN N#CC(F)(F)c1ccc(I)cc1 ZINC000575444722 395090630 /nfs/dbraw/zinc/09/06/30/395090630.db2.gz CQFVXJISBOPVEU-UHFFFAOYSA-N 0 0 279.027 2.907 10 30 CFEERN CN(C)/C=C/C(=O)c1ccc(F)cc1Br ZINC000138875190 542991880 /nfs/dbraw/zinc/99/18/80/542991880.db2.gz FSESHNTVVYOLDV-AATRIKPKSA-N 0 0 272.117 2.846 10 30 CFEERN C=CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405670853 543022171 /nfs/dbraw/zinc/02/21/71/543022171.db2.gz IGHGAUPIZQRCNU-WDEREUQCSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000405684982 543022778 /nfs/dbraw/zinc/02/27/78/543022778.db2.gz AODWZIOMCCUQJI-UHFFFAOYSA-N 0 0 268.338 2.537 10 30 CFEERN C=C(C)C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405803120 543024096 /nfs/dbraw/zinc/02/40/96/543024096.db2.gz QFWAPWRNGQFWHB-WDEREUQCSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000405881573 543025621 /nfs/dbraw/zinc/02/56/21/543025621.db2.gz HUUTZICECDASNM-UHFFFAOYSA-N 0 0 251.282 2.673 10 30 CFEERN C=C(C(=O)CNC(=O)OCc1ccccc1)C(F)(F)F ZINC000406037125 543029559 /nfs/dbraw/zinc/02/95/59/543029559.db2.gz ZRKSGKMCONCNOO-UHFFFAOYSA-N 0 0 287.237 2.600 10 30 CFEERN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C[C@@H](F)[C@@H]2C3)cc1 ZINC000002145693 292185203 /nfs/dbraw/zinc/18/52/03/292185203.db2.gz BFWVEZWIQRGRNB-YXCITZCRSA-N 0 0 284.352 2.837 10 30 CFEERN COc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1O ZINC000004921255 170041220 /nfs/dbraw/zinc/04/12/20/170041220.db2.gz WABUJITWPCCCPI-OQLLNIDSSA-N 0 0 287.275 2.755 10 30 CFEERN O=[N+]([O-])c1ccccc1CN=Nc1nncc2ccccc21 ZINC000005119688 170068046 /nfs/dbraw/zinc/06/80/46/170068046.db2.gz BWEVXHVXVQUIIZ-LICLKQGHSA-N 0 0 293.286 2.984 10 30 CFEERN N#Cc1c(=O)[nH]c(=S)[nH]c1-c1ccccc1Cl ZINC000005238824 170078244 /nfs/dbraw/zinc/07/82/44/170078244.db2.gz RIFZSUFFPYGWRJ-UHFFFAOYSA-N 0 0 263.709 2.663 10 30 CFEERN N#C[C@@](Cc1ccccn1)(c1ccccc1)c1cnccn1 ZINC000005332029 170086610 /nfs/dbraw/zinc/08/66/10/170086610.db2.gz RYLCTBMSNBXYLX-SFHVURJKSA-N 0 0 286.338 2.924 10 30 CFEERN N#C[C@](Cc1ccccn1)(c1ccccc1)c1cnccn1 ZINC000005331959 170086686 /nfs/dbraw/zinc/08/66/86/170086686.db2.gz RYLCTBMSNBXYLX-GOSISDBHSA-N 0 0 286.338 2.924 10 30 CFEERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 ZINC000005428703 170098771 /nfs/dbraw/zinc/09/87/71/170098771.db2.gz LBAWXTJNRZSULI-SNAWJCMRSA-N 0 0 288.215 2.992 10 30 CFEERN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C#N)cc1 ZINC000006201343 170182164 /nfs/dbraw/zinc/18/21/64/170182164.db2.gz MEWKCOKPARYUAZ-TXEJJXNPSA-N 0 0 278.377 2.510 10 30 CFEERN N#Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006222286 170183517 /nfs/dbraw/zinc/18/35/17/170183517.db2.gz SCWRHIGYUYLSPC-UHFFFAOYSA-N 0 0 267.244 2.719 10 30 CFEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000006401349 170198455 /nfs/dbraw/zinc/19/84/55/170198455.db2.gz JKPGWLZARKHPSJ-GFCCVEGCSA-N 0 0 266.300 2.964 10 30 CFEERN CCOc1ccccc1CN=Nc1ccc(Cl)nn1 ZINC000006539581 170211628 /nfs/dbraw/zinc/21/16/28/170211628.db2.gz IJHXGMGZXGYGAX-OQLLNIDSSA-N 0 0 276.727 2.975 10 30 CFEERN N#Cc1cccc(NC(=S)NC(=O)C2CCCC2)c1 ZINC000006633246 170220220 /nfs/dbraw/zinc/22/02/20/170220220.db2.gz DNMAMWITXFXFET-UHFFFAOYSA-N 0 0 273.361 2.561 10 30 CFEERN C=CCNC(=S)NC(=O)c1ccc(OCCCC)cc1 ZINC000007610718 170293693 /nfs/dbraw/zinc/29/36/93/170293693.db2.gz RONLNKQJHLEHHH-UHFFFAOYSA-N 0 0 292.404 2.656 10 30 CFEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(O)cc1O ZINC000007930719 170307962 /nfs/dbraw/zinc/30/79/62/170307962.db2.gz QPHWKYVQEDIMRX-OQLLNIDSSA-N 0 0 287.275 2.842 10 30 CFEERN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccco1 ZINC000008197621 170324178 /nfs/dbraw/zinc/32/41/78/170324178.db2.gz YQTYIVUWMQEJDT-GFCCVEGCSA-N 0 0 283.331 2.610 10 30 CFEERN N#Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000008280198 170328802 /nfs/dbraw/zinc/32/88/02/170328802.db2.gz LCILFTMIENYZTC-UHFFFAOYSA-N 0 0 262.272 2.687 10 30 CFEERN CC(=NNC(=S)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000008774475 170355444 /nfs/dbraw/zinc/35/54/44/170355444.db2.gz XEGZLDZJYDKMMD-NTEUORMPSA-N 0 0 280.353 2.603 10 30 CFEERN O=C(NO)c1cc(CSc2cccc(Cl)c2)on1 ZINC000009132961 170364136 /nfs/dbraw/zinc/36/41/36/170364136.db2.gz ZSRMGUANNPJELF-UHFFFAOYSA-N 0 0 284.724 2.739 10 30 CFEERN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000012621024 170501160 /nfs/dbraw/zinc/50/11/60/170501160.db2.gz RMIZYBFOSYUAFL-RSVWSFSXSA-N 0 0 251.286 2.785 10 30 CFEERN C[C@H](N=C(NC#N)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000013777058 170592343 /nfs/dbraw/zinc/59/23/43/170592343.db2.gz PGYDRGZVXVVZQC-NSHDSACASA-N 0 0 269.352 2.831 10 30 CFEERN CCc1cccc(Oc2cc(/C(N)=N/O)ccn2)c1 ZINC000019439886 170802100 /nfs/dbraw/zinc/80/21/00/170802100.db2.gz KPNRBLDRIMKULB-UHFFFAOYSA-N 0 0 257.293 2.531 10 30 CFEERN CC[C@@H]1CCCC[C@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019483038 170810941 /nfs/dbraw/zinc/81/09/41/170810941.db2.gz RNBFKFSBZHPKLP-ZYHUDNBSSA-N 0 0 263.341 2.524 10 30 CFEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000019511261 170820638 /nfs/dbraw/zinc/82/06/38/170820638.db2.gz OHYYMHHQPHMZFO-LICLKQGHSA-N 0 0 270.288 2.843 10 30 CFEERN CCc1cccc(OCc2cccc(/C(N)=N/O)c2)c1 ZINC000019808516 170877275 /nfs/dbraw/zinc/87/72/75/170877275.db2.gz USJNCMXWBWTPCX-UHFFFAOYSA-N 0 0 270.332 2.923 10 30 CFEERN N/C(=N\O)c1ccnc(Oc2ccccc2C(F)(F)F)c1 ZINC000019808293 170877331 /nfs/dbraw/zinc/87/73/31/170877331.db2.gz ALQREEJVAJNNLF-UHFFFAOYSA-N 0 0 297.236 2.987 10 30 CFEERN C[C@H](Oc1ccc(/C(N)=N/O)cc1)c1ccccc1 ZINC000019866172 170899441 /nfs/dbraw/zinc/89/94/41/170899441.db2.gz TWBWXJCZFRMOEZ-NSHDSACASA-N 0 0 256.305 2.921 10 30 CFEERN N#C[C@@H](NC1CC1)c1cccc(Br)c1 ZINC000020176145 171042437 /nfs/dbraw/zinc/04/24/37/171042437.db2.gz BKWOHQLISGWUDW-LLVKDONJSA-N 0 0 251.127 2.766 10 30 CFEERN N#Cc1ccc(NC(=O)CCc2ccc(N)cc2)cc1 ZINC000020186872 171051638 /nfs/dbraw/zinc/05/16/38/171051638.db2.gz PNYZALWAIOESNW-UHFFFAOYSA-N 0 0 265.316 2.712 10 30 CFEERN Cc1noc(C)c1CNc1ccc(OCC#N)cc1 ZINC000020253216 171106326 /nfs/dbraw/zinc/10/63/26/171106326.db2.gz IYZAUPMXZMNJEP-UHFFFAOYSA-N 0 0 257.293 2.806 10 30 CFEERN C[C@H](Nc1cccc(C#N)c1)C(=O)NC1CCCCC1 ZINC000020309124 171143411 /nfs/dbraw/zinc/14/34/11/171143411.db2.gz VNLQRFGVUMSJHH-LBPRGKRZSA-N 0 0 271.364 2.808 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366619 171165504 /nfs/dbraw/zinc/16/55/04/171165504.db2.gz UPJAQGBDZPDKHK-MRVPVSSYSA-N 0 0 271.147 2.543 10 30 CFEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1F ZINC000020563061 171252713 /nfs/dbraw/zinc/25/27/13/171252713.db2.gz AMGLRQIOQQKIKO-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN CC[C@H](C)Sc1nnc(NN=Cc2ccccc2O)[nH]1 ZINC000020832497 171275224 /nfs/dbraw/zinc/27/52/24/171275224.db2.gz GKRLCFDVBCYCOL-PFMRQGHBSA-N 0 0 291.380 2.847 10 30 CFEERN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1C#N ZINC000021810288 171329048 /nfs/dbraw/zinc/32/90/48/171329048.db2.gz PLUBSSAWRYMABA-DOMZBBRYSA-N 0 0 292.404 2.556 10 30 CFEERN N#Cc1ccc(CS(=O)(=O)Nc2ccccc2)cc1 ZINC000021813147 171330652 /nfs/dbraw/zinc/33/06/52/171330652.db2.gz WDPGAIBOENDKQC-UHFFFAOYSA-N 0 0 272.329 2.500 10 30 CFEERN N#Cc1ccccc1CS(=O)(=O)Nc1cccc(F)c1 ZINC000021818455 171333609 /nfs/dbraw/zinc/33/36/09/171333609.db2.gz BOYSHVFYGMYVEQ-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2cc(N)ccc2F)cc1 ZINC000022212321 171374020 /nfs/dbraw/zinc/37/40/20/171374020.db2.gz NLYGGZUNDMXQAC-UHFFFAOYSA-N 0 0 270.267 2.924 10 30 CFEERN COCCN1CC2=C(CCCC2=O)N(C2CCCCC2)C1 ZINC000022241435 171381614 /nfs/dbraw/zinc/38/16/14/171381614.db2.gz CAPPREDURAHQGW-UHFFFAOYSA-N 0 0 292.423 2.548 10 30 CFEERN CNC(=S)N1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000027523775 171519319 /nfs/dbraw/zinc/51/93/19/171519319.db2.gz HTQJNZAFQJIYSI-SNVBAGLBSA-N 0 0 256.758 2.586 10 30 CFEERN CC(C)[C@H]1S/C(=N\c2ccc(F)cc2)NC1=O ZINC000028826733 171577089 /nfs/dbraw/zinc/57/70/89/171577089.db2.gz NACOMKOHQVQPTQ-SNVBAGLBSA-N 0 0 252.314 2.701 10 30 CFEERN O=[N+]([O-])c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)o1 ZINC000033813805 171821132 /nfs/dbraw/zinc/82/11/32/171821132.db2.gz NYANUJCLKSCNMT-QPEQYQDCSA-N 0 0 271.236 2.510 10 30 CFEERN Cc1nn(C)c(C)c1/C=C\C(=O)c1ccc2c(c1)OCO2 ZINC000033806769 171821340 /nfs/dbraw/zinc/82/13/40/171821340.db2.gz PTBGBTLIKQQIMA-WAYWQWQTSA-N 0 0 284.315 2.662 10 30 CFEERN O=C1c2ccccc2[C@H](OC[C@@H]2CO2)N1c1ccccc1 ZINC000033986187 171829055 /nfs/dbraw/zinc/82/90/55/171829055.db2.gz WQQWREQEWITCBP-GUYCJALGSA-N 0 0 281.311 2.761 10 30 CFEERN COc1cccc(C=O)c1OCc1ccc(C#N)cc1 ZINC000035186671 172041380 /nfs/dbraw/zinc/04/13/80/172041380.db2.gz RBXXRLREWPBKQZ-UHFFFAOYSA-N 0 0 267.284 2.958 10 30 CFEERN Cc1n[nH]c(=S)n1N=Cc1ccccc1Cl ZINC000035418103 172190422 /nfs/dbraw/zinc/19/04/22/172190422.db2.gz IFAYQTMSXLIVJY-SDQBBNPISA-N 0 0 252.730 2.785 10 30 CFEERN N/C(=N\O)c1cc(C(F)(F)F)ccc1OCC1CC1 ZINC000037334681 173135700 /nfs/dbraw/zinc/13/57/00/173135700.db2.gz PBFFMFRMVYFGDC-UHFFFAOYSA-N 0 0 274.242 2.589 10 30 CFEERN COc1ccc([C@@H](C#N)C(=O)CC(C)C)cc1OC ZINC000037346460 173143013 /nfs/dbraw/zinc/14/30/13/173143013.db2.gz JQQVINGHZLKCPX-GFCCVEGCSA-N 0 0 261.321 2.926 10 30 CFEERN 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288.347 2.851 10 30 CFEERN CC(C)[C@H](C#N)C(=O)Nc1cc(F)c(F)cc1F ZINC000061094460 519808966 /nfs/dbraw/zinc/80/89/66/519808966.db2.gz HDJLJRPYGQVXLS-ZETCQYMHSA-N 0 0 256.227 2.838 10 30 CFEERN CCCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000049589644 519912729 /nfs/dbraw/zinc/91/27/29/519912729.db2.gz HPXSRARUDQCHPL-CQSZACIVSA-N 0 0 273.376 2.788 10 30 CFEERN CCCNc1c(C#N)cnc2ccc(N(C)C)cc21 ZINC000050842950 520127239 /nfs/dbraw/zinc/12/72/39/520127239.db2.gz JXGUNLZQNPYJQP-UHFFFAOYSA-N 0 0 254.337 2.994 10 30 CFEERN CCNc1c(C#N)cnc2cc(OC)cc(OC)c21 ZINC000050842519 520255036 /nfs/dbraw/zinc/25/50/36/520255036.db2.gz GJZRURQEGRUTAL-UHFFFAOYSA-N 0 0 257.293 2.555 10 30 CFEERN CCCCN(C(=O)c1ccc(F)cc1C#CCO)C1CC1 ZINC000048996984 520357476 /nfs/dbraw/zinc/35/74/76/520357476.db2.gz WHJNFPQNXLEKBN-UHFFFAOYSA-N 0 0 289.350 2.574 10 30 CFEERN CCNc1ncccc1C(=O)Nc1ccc(C#N)cc1 ZINC000050742320 520375577 /nfs/dbraw/zinc/37/55/77/520375577.db2.gz AGCOFYZVRLOQDJ-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CCCC[C@@H](C)NC(=O)c1cc(C#CCCO)ccc1F ZINC000050890965 521005989 /nfs/dbraw/zinc/00/59/89/521005989.db2.gz DALVXMPOWIEBET-CYBMUJFWSA-N 0 0 291.366 2.868 10 30 CFEERN CCOC(=O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000049375492 521029968 /nfs/dbraw/zinc/02/99/68/521029968.db2.gz GOBUKRKMUHJRAN-MRVPVSSYSA-N 0 0 286.253 2.941 10 30 CFEERN CCN(C[C@@H]1CCCO1)c1nc(C)cc(C)c1C#N ZINC000048966471 521228126 /nfs/dbraw/zinc/22/81/26/521228126.db2.gz QNYMUCRMOMYVMU-ZDUSSCGKSA-N 0 0 259.353 2.575 10 30 CFEERN CCCN(CC(=O)OC)[C@H](CC#N)c1ccccc1 ZINC000055019768 521570376 /nfs/dbraw/zinc/57/03/76/521570376.db2.gz DAWZIUHBJSUXQK-CQSZACIVSA-N 0 0 260.337 2.526 10 30 CFEERN COc1c(CNc2ccc(Cl)c(C#N)c2)c(C)nn1C ZINC000158317720 521831989 /nfs/dbraw/zinc/83/19/89/521831989.db2.gz KXSMCJYARDZQMB-UHFFFAOYSA-N 0 0 290.754 2.874 10 30 CFEERN CNc1ccc(COc2ccc(C#N)cc2OC)cn1 ZINC000050830663 522613451 /nfs/dbraw/zinc/61/34/51/522613451.db2.gz OAHKUOVNHFJSAZ-UHFFFAOYSA-N 0 0 269.304 2.583 10 30 CFEERN COc1cc(N)ccc1OCc1ccc(C#N)cc1F ZINC000050505190 522627365 /nfs/dbraw/zinc/62/73/65/522627365.db2.gz KYVFGXQFWSZOIG-UHFFFAOYSA-N 0 0 272.279 2.867 10 30 CFEERN CNc1nc(-c2cccc([N+](=O)[O-])c2)ccc1C#N ZINC000050871394 522676975 /nfs/dbraw/zinc/67/69/75/522676975.db2.gz CIWHJKIWXBTEQR-UHFFFAOYSA-N 0 0 254.249 2.570 10 30 CFEERN CCn1c(C(=O)N(C)CC#N)cc2sc(Cl)cc21 ZINC000064551926 523113269 /nfs/dbraw/zinc/11/32/69/523113269.db2.gz UREBIRWLMTZFQV-UHFFFAOYSA-N 0 0 281.768 2.972 10 30 CFEERN CN(Cc1ccc(C#CCO)cc1)Cc1ccccc1F ZINC000049614305 523207492 /nfs/dbraw/zinc/20/74/92/523207492.db2.gz NUIWMAJVSYVKEF-UHFFFAOYSA-N 0 0 283.346 2.802 10 30 CFEERN CN(Cc1ccco1)Cc1ccc(F)cc1C#CCCO ZINC000049618217 523436880 /nfs/dbraw/zinc/43/68/80/523436880.db2.gz LUVSQXWKJUWCJK-UHFFFAOYSA-N 0 0 287.334 2.785 10 30 CFEERN Cc1cccc(CNc2cc(C)nc(C)c2C#N)n1 ZINC000133755474 534717492 /nfs/dbraw/zinc/71/74/92/534717492.db2.gz FLXKOALRYICJOR-UHFFFAOYSA-N 0 0 252.321 2.886 10 30 CFEERN CC[C@H](C)C(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000049589672 523834644 /nfs/dbraw/zinc/83/46/44/523834644.db2.gz MMBPTLAQKYSNOO-KBPBESRZSA-N 0 0 273.376 2.644 10 30 CFEERN COc1cccc([C@H](C#N)C(=O)c2cccnc2)c1 ZINC000040907714 524137517 /nfs/dbraw/zinc/13/75/17/524137517.db2.gz RCPHNIQTZVUASN-AWEZNQCLSA-N 0 0 252.273 2.580 10 30 CFEERN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccccc2C#CCO)C1 ZINC000049017693 524390161 /nfs/dbraw/zinc/39/01/61/524390161.db2.gz RUVJANKIVQMSLM-ZBFHGGJFSA-N 0 0 285.387 2.681 10 30 CFEERN Cc1cccc(N(C)C(=O)c2ccc(C#CCO)cc2)c1 ZINC000049991643 524517271 /nfs/dbraw/zinc/51/72/71/524517271.db2.gz IXEANFIROJAXAG-UHFFFAOYSA-N 0 0 279.339 2.615 10 30 CFEERN Cc1cccc(N)c1C(=O)Nc1ccc(CC#N)cc1 ZINC000051600718 524528216 /nfs/dbraw/zinc/52/82/16/524528216.db2.gz LWQMVSDFEARCLH-UHFFFAOYSA-N 0 0 265.316 2.896 10 30 CFEERN Cc1cccc(NC(=O)[C@H](C#N)c2ccccc2)n1 ZINC000061614255 524651479 /nfs/dbraw/zinc/65/14/79/524651479.db2.gz LNJVCAQJESUHOO-CYBMUJFWSA-N 0 0 251.289 2.636 10 30 CFEERN Cc1cc(NCCCOCC2CC2)c(C#N)c(C)n1 ZINC000219763153 525270413 /nfs/dbraw/zinc/27/04/13/525270413.db2.gz ITXGNLHCFIKZEP-UHFFFAOYSA-N 0 0 259.353 2.799 10 30 CFEERN C[C@H](Nc1ccc(F)c(C#N)c1)C(=O)NC1CCCCC1 ZINC000051636766 525653475 /nfs/dbraw/zinc/65/34/75/525653475.db2.gz TZXNLOVIBAOAJL-NSHDSACASA-N 0 0 289.354 2.947 10 30 CFEERN Cc1ccnc(Sc2cccc(Cl)c2/C(N)=N/O)n1 ZINC000052908194 525711636 /nfs/dbraw/zinc/71/16/36/525711636.db2.gz IXDPPIAMBDOLGC-UHFFFAOYSA-N 0 0 294.767 2.684 10 30 CFEERN Cc1ccc(C#N)c(N(CCO)C2CCCCC2)c1 ZINC000051596040 525989574 /nfs/dbraw/zinc/98/95/74/525989574.db2.gz LGQIPCSSTBCPJJ-UHFFFAOYSA-N 0 0 258.365 2.998 10 30 CFEERN Cc1ccc(C#N)cc1N[C@@H](C)C(=O)NC1CCCC1 ZINC000050430309 526009356 /nfs/dbraw/zinc/00/93/56/526009356.db2.gz DOEYWGJCKRAQLQ-LBPRGKRZSA-N 0 0 271.364 2.726 10 30 CFEERN Cc1cnc([C@H](C)NCc2cccc(C#N)c2F)o1 ZINC000230647203 526158991 /nfs/dbraw/zinc/15/89/91/526158991.db2.gz APECFQLMTYOUAT-JTQLQIEISA-N 0 0 259.284 2.845 10 30 CFEERN Cc1ccc(C(=O)NCc2cccc(C#CCCO)c2)s1 ZINC000049589355 526187678 /nfs/dbraw/zinc/18/76/78/526187678.db2.gz WCDKGBXXINIYCC-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN COc1cccc(OCc2ccc(C#CCO)cc2F)c1 ZINC000049620147 526237235 /nfs/dbraw/zinc/23/72/35/526237235.db2.gz LDTUPYSBGGKSOA-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN Cc1nn(Cc2ccc(C#CCCO)cc2)c(C)c1Cl ZINC000050587904 526288007 /nfs/dbraw/zinc/28/80/07/526288007.db2.gz ZXGHXIQPYBNVLE-UHFFFAOYSA-N 0 0 288.778 2.936 10 30 CFEERN N#Cc1c(Cl)cccc1NC1CCC(O)CC1 ZINC000048935493 526518209 /nfs/dbraw/zinc/51/82/09/526518209.db2.gz GVAVEYZLQGFUOC-UHFFFAOYSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1cc(Cl)ccc1N1CCCC[C@@H]1CCO ZINC000052859099 526553320 /nfs/dbraw/zinc/55/33/20/526553320.db2.gz IYIHMPOIPGDTTP-CYBMUJFWSA-N 0 0 264.756 2.953 10 30 CFEERN N#Cc1cc(N)cnc1N1CC[C@H](c2ccccc2)C1 ZINC000050599145 526563467 /nfs/dbraw/zinc/56/34/67/526563467.db2.gz FWRSSUSOVUYXQF-ZDUSSCGKSA-N 0 0 264.332 2.529 10 30 CFEERN N#Cc1cc(NC[C@@H](O)c2ccccc2)ccc1F ZINC000051636411 526570620 /nfs/dbraw/zinc/57/06/20/526570620.db2.gz IMYWKANQERIYLM-OAHLLOKOSA-N 0 0 256.280 2.843 10 30 CFEERN N#Cc1ccc(COc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000050517744 526630093 /nfs/dbraw/zinc/63/00/93/526630093.db2.gz ASTSMJAIUQFRPG-UHFFFAOYSA-N 0 0 284.271 2.538 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)OC)c1ccccc1 ZINC000185572070 526711980 /nfs/dbraw/zinc/71/19/80/526711980.db2.gz GJTLGVSFEWJPSQ-GXTWGEPZSA-N 0 0 275.348 2.619 10 30 CFEERN N#Cc1cccc(OCc2nc3sccc3c(N)n2)c1 ZINC000050831371 526729193 /nfs/dbraw/zinc/72/91/93/526729193.db2.gz USHVMBIRWDJAFU-UHFFFAOYSA-N 0 0 282.328 2.724 10 30 CFEERN N#Cc1ccccc1NC(=O)c1cc(Cl)ccc1NN ZINC000051096362 526742879 /nfs/dbraw/zinc/74/28/79/526742879.db2.gz BWXCFASSRJCOHZ-UHFFFAOYSA-N 0 0 286.722 2.750 10 30 CFEERN C=C(C)[C@@H](NC(=O)[C@H](C)COC)c1ccc(F)c(F)c1 ZINC000186080318 526757339 /nfs/dbraw/zinc/75/73/39/526757339.db2.gz QUJIVMYKLVZNPX-QMTHXVAHSA-N 0 0 283.318 2.981 10 30 CFEERN N#Cc1ncccc1CNCc1ccccc1Cl ZINC000061656950 526790462 /nfs/dbraw/zinc/79/04/62/526790462.db2.gz GWGUUSWVGAUWKB-UHFFFAOYSA-N 0 0 257.724 2.896 10 30 CFEERN NN=C(NC1CCCCC1)c1ccc(Cl)s1 ZINC000051173410 526815878 /nfs/dbraw/zinc/81/58/78/526815878.db2.gz XJNBLKSRTMVAOH-UHFFFAOYSA-N 0 0 257.790 2.944 10 30 CFEERN C=CCO[C@H]1CCN(c2ncnc3c(C)cccc32)C1 ZINC000302186382 526822349 /nfs/dbraw/zinc/82/23/49/526822349.db2.gz UHZIHPIITNANQN-ZDUSSCGKSA-N 0 0 269.348 2.720 10 30 CFEERN Cn1cc([C@H]2CCCN2Cc2ccc(C#N)c(F)c2)cn1 ZINC000191991892 527317344 /nfs/dbraw/zinc/31/73/44/527317344.db2.gz KXDFSZXEJHPEBL-MRXNPFEDSA-N 0 0 284.338 2.768 10 30 CFEERN OCC#Cc1cc(Cn2cnc3ccccc32)ccc1F ZINC000049619138 527518536 /nfs/dbraw/zinc/51/85/36/527518536.db2.gz HRJQKAFFFIYOEF-UHFFFAOYSA-N 0 0 280.302 2.568 10 30 CFEERN OCC#Cc1ccc(COCc2ccccc2)c(F)c1 ZINC000049619894 527519445 /nfs/dbraw/zinc/51/94/45/527519445.db2.gz CIGJPNKKEXAWAG-UHFFFAOYSA-N 0 0 270.303 2.886 10 30 CFEERN OCC#Cc1ccc(OCCOC2CCCCC2)cc1 ZINC000049619817 527520041 /nfs/dbraw/zinc/52/00/41/527520041.db2.gz ZJKKZCYEAXXYFP-UHFFFAOYSA-N 0 0 274.360 2.759 10 30 CFEERN OCC#Cc1cccc(OCCOc2ccc(F)cc2)c1 ZINC000049620380 527521218 /nfs/dbraw/zinc/52/12/18/527521218.db2.gz XTWMRIXBPHHFKF-UHFFFAOYSA-N 0 0 286.302 2.627 10 30 CFEERN OCC#Cc1ccsc1COCc1ccccc1F ZINC000069285312 527521324 /nfs/dbraw/zinc/52/13/24/527521324.db2.gz UZYXLXYUBDCPOR-UHFFFAOYSA-N 0 0 276.332 2.948 10 30 CFEERN OCC#Cc1ccccc1COc1ccc(F)cc1F ZINC000049620034 527521337 /nfs/dbraw/zinc/52/13/37/527521337.db2.gz YXQALNNMOLSDIG-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN CC(C)OCc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333867451 528044486 /nfs/dbraw/zinc/04/44/86/528044486.db2.gz SZZNOGGQONOWPM-AWEZNQCLSA-N 0 0 261.325 2.720 10 30 CFEERN CC(=O)OC[C@H](O)C#Cc1ccc(-c2cccs2)s1 ZINC000000902143 560179867 /nfs/dbraw/zinc/17/98/67/560179867.db2.gz PNRXZPUOVXRYEX-LLVKDONJSA-N 0 0 292.381 2.752 10 30 in-vitro CFEERN C[C@]1(c2cc(Br)ccc2F)O[C@@H]1C#N ZINC000306899345 574277360 /nfs/dbraw/zinc/27/73/60/574277360.db2.gz DHMGJHHDBPNTLW-NXEZZACHSA-N 0 0 256.074 2.726 10 30 CFEERN N#C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000176058756 617740985 /nfs/dbraw/zinc/74/09/85/617740985.db2.gz OYGNUUCMWWUESD-WDMOLILDSA-N 0 0 277.270 2.914 10 30 CFEERN O=[N+]([O-])c1sc(CS)cc1Br ZINC000757159663 617847064 /nfs/dbraw/zinc/84/70/64/617847064.db2.gz RWZNFGQYYMAXME-UHFFFAOYSA-N 0 0 254.130 2.849 10 30 CFEERN CCO[C@@H]1C[C@@H](OC(=O)CSCC#N)C12CCCC2 ZINC000119711298 617967793 /nfs/dbraw/zinc/96/77/93/617967793.db2.gz WBQDQWHPFBOQSU-VXGBXAGGSA-N 0 0 283.393 2.524 10 30 CFEERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000234153050 618021887 /nfs/dbraw/zinc/02/18/87/618021887.db2.gz HQTQVHPEGKNJNG-ZWNOBZJWSA-N 0 0 278.739 2.965 10 30 CFEERN N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158763462 618195857 /nfs/dbraw/zinc/19/58/57/618195857.db2.gz UXOUVJAIWBFSRB-SKDRFNHKSA-N 0 0 250.729 2.827 10 30 CFEERN C#Cc1cccc(N(CC)C[C@H](O)COCCCC)c1 ZINC000195187377 618312892 /nfs/dbraw/zinc/31/28/92/618312892.db2.gz AHPYIDUMVVUEHA-KRWDZBQOSA-N 0 0 275.392 2.672 10 30 CFEERN C[C@H](C#N)NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000178665004 618331768 /nfs/dbraw/zinc/33/17/68/618331768.db2.gz LQANBTWJCYULPV-MRVPVSSYSA-N 0 0 259.696 2.530 10 30 CFEERN C#CC[C@H](OC(=O)Cn1ccc(=O)c2ccccc21)C(C)C ZINC000177718415 618479175 /nfs/dbraw/zinc/47/91/75/618479175.db2.gz TZQMKUZAYCZZSP-KRWDZBQOSA-N 0 0 297.354 2.593 10 30 CFEERN C=C1CC(C)(c2noc([C@@]3(OC(C)C)CCOC3)n2)C1 ZINC000896921597 619890036 /nfs/dbraw/zinc/89/00/36/619890036.db2.gz PBHVXVZBMDVWIR-OAHLLOKOSA-N 0 0 278.352 2.718 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149527033 622194840 /nfs/dbraw/zinc/19/48/40/622194840.db2.gz VSFHVYSEJOHIEV-GZMMTYOYSA-N 0 0 293.710 2.670 10 30 CFEERN C[C@H](OC(=O)CCc1ccc(C#N)cc1)C1CCOCC1 ZINC000151481361 622916387 /nfs/dbraw/zinc/91/63/87/622916387.db2.gz PQIHSJBBXVHORA-ZDUSSCGKSA-N 0 0 287.359 2.849 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168629962 623098885 /nfs/dbraw/zinc/09/88/85/623098885.db2.gz NEONLKBYEUTYCC-KOLCDFICSA-N 0 0 293.710 2.670 10 30 CFEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1cccc(F)c1 ZINC000060009670 623114883 /nfs/dbraw/zinc/11/48/83/623114883.db2.gz FYFPSHBCRNMKES-GFCCVEGCSA-N 0 0 267.300 2.981 10 30 CFEERN N#CCCCOC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171771088 623242463 /nfs/dbraw/zinc/24/24/63/623242463.db2.gz UGFGLCYNAKGPNI-QWRGUYRKSA-N 0 0 265.259 2.915 10 30 CFEERN C#C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000152700373 623756352 /nfs/dbraw/zinc/75/63/52/623756352.db2.gz YUABMVYUDUIUHU-PMPSAXMXSA-N 0 0 270.328 2.754 10 30 CFEERN C=C(C)CNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000154407859 624344955 /nfs/dbraw/zinc/34/49/55/624344955.db2.gz UUJSZPFDXAVUSH-INIZCTEOSA-N 0 0 296.411 2.858 10 30 CFEERN C#Cc1cccc(N(C(=O)[C@@H]2CC[C@@H](C)O2)C(C)C)c1 ZINC000154754232 624451452 /nfs/dbraw/zinc/45/14/52/624451452.db2.gz KHJKYJUIOUVGGK-CJNGLKHVSA-N 0 0 271.360 2.977 10 30 CFEERN C[C@H](C#N)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000068925676 625036930 /nfs/dbraw/zinc/03/69/30/625036930.db2.gz FMKQRENZZAUKBF-GFCCVEGCSA-N 0 0 250.301 2.995 10 30 CFEERN C=CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000069199228 625064837 /nfs/dbraw/zinc/06/48/37/625064837.db2.gz RUKARDHXORRUDP-GXTWGEPZSA-N 0 0 275.348 2.560 10 30 CFEERN COc1cc(CS)cc(Br)c1OC ZINC000757159578 630872108 /nfs/dbraw/zinc/87/21/08/630872108.db2.gz DUTIRYFLBNGKFP-UHFFFAOYSA-N 0 0 263.156 2.896 10 30 CFEERN CCCCCCCC(=O)NCCn1cc(C)cn1 ZINC000117812050 637007967 /nfs/dbraw/zinc/00/79/67/637007967.db2.gz KFQOBQJBTNEXRQ-UHFFFAOYSA-N 0 0 251.374 2.668 10 30 CFEERN SCc1cccc(I)c1 ZINC000205458311 638355262 /nfs/dbraw/zinc/35/52/62/638355262.db2.gz CSPSYRVKQAVVES-UHFFFAOYSA-N 0 0 250.104 2.721 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000126746229 643604895 /nfs/dbraw/zinc/60/48/95/643604895.db2.gz SIZARGOWVUTAFY-HQJQHLMTSA-N 0 0 298.173 2.998 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000250825525 650980326 /nfs/dbraw/zinc/98/03/26/650980326.db2.gz WVWHWGBMSYXZCM-XQLPTFJDSA-N 0 0 254.333 2.599 10 30 CFEERN Cc1c(C#N)cccc1-c1nnc([C@H]2CCCOC2)o1 ZINC000886084616 646859680 /nfs/dbraw/zinc/85/96/80/646859680.db2.gz PEIZUHFIQHCRPQ-LBPRGKRZSA-N 0 0 269.304 2.811 10 30 CFEERN CCC(C)(C)N=C(Nc1cccnc1)Nc1cnccn1 ZINC000095787199 185028417 /nfs/dbraw/zinc/02/84/17/185028417.db2.gz DFKGDFMGOABGCI-UHFFFAOYSA-N 0 0 284.367 2.749 10 30 CFEERN CO[C@@H]1C=C(C(=O)c2ccccc2)C=C[C@@]1(Cl)OC ZINC000095932723 185032944 /nfs/dbraw/zinc/03/29/44/185032944.db2.gz JWWPJRHDDCYHQR-UKRRQHHQSA-N 0 0 278.735 2.962 10 30 CFEERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000182007465 282102731 /nfs/dbraw/zinc/10/27/31/282102731.db2.gz QIKABFNLEACCFH-ABAIWWIYSA-N 0 0 281.363 2.644 10 30 CFEERN C=C(Br)CN[C@H](CO)c1ccc(Cl)cc1 ZINC000273115576 192047084 /nfs/dbraw/zinc/04/70/84/192047084.db2.gz OTBKMGHRECKAJO-LLVKDONJSA-N 0 0 290.588 2.872 10 30 CFEERN CCCc1nccnc1N1Cc2cccc(C#N)c2C1 ZINC000596291140 349853946 /nfs/dbraw/zinc/85/39/46/349853946.db2.gz IHJDRZVIIDTESU-UHFFFAOYSA-N 0 0 264.332 2.821 10 30 CFEERN Cc1nnc(C)n1/N=C/c1cc2ccccc2nc1Cl ZINC000002631809 282312804 /nfs/dbraw/zinc/31/28/04/282312804.db2.gz QQIALJLPGBHYRW-LZYBPNLTSA-N 0 0 285.738 2.979 10 30 CFEERN C[C@@]1(Cc2ccc(Br)cc2)O[C@H]1C#N ZINC000306293614 539471817 /nfs/dbraw/zinc/47/18/17/539471817.db2.gz VALQLNLOIPYJBD-QWRGUYRKSA-N 0 0 252.111 2.673 10 30 CFEERN N#C[C@H]1O[C@@]12CCc1cc(Br)ccc1C2 ZINC000307678090 539478178 /nfs/dbraw/zinc/47/81/78/539478178.db2.gz KADYSIZRATXSBG-VXGBXAGGSA-N 0 0 264.122 2.599 10 30 CFEERN C=CCCOCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000127554840 187314392 /nfs/dbraw/zinc/31/43/92/187314392.db2.gz FVLCWHXFYCCJFA-AWEZNQCLSA-N 0 0 276.380 2.948 10 30 CFEERN CCOc1ccc(NC(C)=O)cc1N(CC)CCC#N ZINC000005139528 346210500 /nfs/dbraw/zinc/21/05/00/346210500.db2.gz JDOMEWCDWXXVNR-UHFFFAOYSA-N 0 0 275.352 2.784 10 30 CFEERN COc1ccc(OC)c(C#Cc2cccc(N)c2)c1 ZINC000037547805 346330542 /nfs/dbraw/zinc/33/05/42/346330542.db2.gz BBRDJSQUAODKCU-UHFFFAOYSA-N 0 0 253.301 2.686 10 30 CFEERN COc1ccc([C@@](C#N)(CCCO)C(C)C)cc1OC ZINC000034018341 346314208 /nfs/dbraw/zinc/31/42/08/346314208.db2.gz XCVXXCRTGFYXRO-MRXNPFEDSA-N 0 0 277.364 2.894 10 30 CFEERN CCOC(=O)c1ccc(-c2cccc(C#N)n2)cc1 ZINC000034225229 346315553 /nfs/dbraw/zinc/31/55/53/346315553.db2.gz AWZFWCYKSQWHBU-UHFFFAOYSA-N 0 0 252.273 2.797 10 30 CFEERN C=CCN(C)c1nc(C)nc(Nc2ccc(C)cc2)n1 ZINC000034487823 346317696 /nfs/dbraw/zinc/31/76/96/346317696.db2.gz FPXGHTSRKIMFRQ-UHFFFAOYSA-N 0 0 269.352 2.854 10 30 CFEERN OCCC#Cc1ccc(OCc2ccccc2)cc1 ZINC000034625163 346318022 /nfs/dbraw/zinc/31/80/22/346318022.db2.gz XQNQATYKGDSCBH-UHFFFAOYSA-N 0 0 252.313 3.000 10 30 CFEERN C=C(C)C(=O)OCc1ccc(COC(=O)C(=C)C)cc1 ZINC000038595339 346339016 /nfs/dbraw/zinc/33/90/16/346339016.db2.gz FNFHMERPSBNGRL-UHFFFAOYSA-N 0 0 274.316 2.925 10 30 CFEERN CCCCCCCCC(=O)NCCCCCc1nn[nH]n1 ZINC000043443179 346383242 /nfs/dbraw/zinc/38/32/42/346383242.db2.gz WTIMQGAZDJDPQH-UHFFFAOYSA-N 0 0 295.431 2.779 10 30 CFEERN Cc1nc(N2CCS[C@@H](C)C2)c(Cl)cc1C#N ZINC000292590036 293300501 /nfs/dbraw/zinc/30/05/01/293300501.db2.gz LPAOEXZVROVMMT-QMMMGPOBSA-N 0 0 267.785 2.857 10 30 CFEERN O=C[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000054219143 346562983 /nfs/dbraw/zinc/56/29/83/346562983.db2.gz BCRHWTBVBSMFJD-SECBINFHSA-N 0 0 288.210 2.922 10 30 CFEERN c1ccc(-c2ccccc2OC[C@@H]2CO2)c(OC[C@H]2CO2)c1 ZINC000060192953 346660714 /nfs/dbraw/zinc/66/07/14/346660714.db2.gz GGIBUEPJJRWWNM-OKILXGFUSA-N 0 0 298.338 2.909 10 30 CFEERN O=CCCn1ccc2ccc(Br)cc21 ZINC000062543014 346689813 /nfs/dbraw/zinc/68/98/13/346689813.db2.gz JGOUMKGEWXIGCS-UHFFFAOYSA-N 0 0 252.111 2.993 10 30 CFEERN O=C1CCc2ccccc2N1Cc1sccc1C#CCO ZINC000043682289 136697824 /nfs/dbraw/zinc/69/78/24/136697824.db2.gz MCJCWOBMUIEWSD-UHFFFAOYSA-N 0 0 297.379 2.571 10 30 CFEERN N#Cc1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000078371611 347247683 /nfs/dbraw/zinc/24/76/83/347247683.db2.gz FUUOMZYGDUBADP-STQMWFEESA-N 0 0 269.304 2.869 10 30 CFEERN Cc1nnc(NC[C@H](C)Nc2ccccc2)c(C#N)c1C ZINC000084927956 347476575 /nfs/dbraw/zinc/47/65/75/347476575.db2.gz KNCZLUMSOZQKLL-NSHDSACASA-N 0 0 281.363 2.878 10 30 CFEERN Cc1ccc(C#N)c(N[C@@H]2CCc3cc(N)ccc32)n1 ZINC000094093001 347691153 /nfs/dbraw/zinc/69/11/53/347691153.db2.gz INRFSBMRMFPMOC-OAHLLOKOSA-N 0 0 264.332 2.943 10 30 CFEERN C=C[C@H](NN)c1cc(C)c(Br)c(C)c1 ZINC000097671512 347710479 /nfs/dbraw/zinc/71/04/79/347710479.db2.gz RQJVZGVNMOUVNC-JTQLQIEISA-N 0 0 255.159 2.756 10 30 CFEERN CC[C@@H](C#N)NC(=O)c1cccn1Cc1ccccc1 ZINC000123842142 347821503 /nfs/dbraw/zinc/82/15/03/347821503.db2.gz PHFHIJOYRHCBGA-AWEZNQCLSA-N 0 0 267.332 2.568 10 30 CFEERN C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000126566966 347835760 /nfs/dbraw/zinc/83/57/60/347835760.db2.gz QFGUDHILSCMWEB-DGCLKSJQSA-N 0 0 265.378 2.830 10 30 CFEERN CCCCCCCC(=O)NC(=O)c1ncccc1[N+](=O)[O-] ZINC000140930942 347929214 /nfs/dbraw/zinc/92/92/14/347929214.db2.gz ASFVWTSHKUQSHW-UHFFFAOYSA-N 0 0 293.323 2.607 10 30 CFEERN COc1cccc2c1CCC[C@@H]2CCCOS(C)(=O)=O ZINC000139052229 347918698 /nfs/dbraw/zinc/91/86/98/347918698.db2.gz KZDHHNQJUXBHGV-GFCCVEGCSA-N 0 0 298.404 2.872 10 30 CFEERN N#Cc1ccc(-c2nnc(-c3cc(F)cnc3F)o2)cc1 ZINC000140037948 347923473 /nfs/dbraw/zinc/92/34/73/347923473.db2.gz FAVHAOFBKATSBP-UHFFFAOYSA-N 0 0 284.225 2.948 10 30 CFEERN Cc1ccc(S(=O)(=O)O[C@H]2CCOC(C)(C)C2)cc1 ZINC000144516732 347941749 /nfs/dbraw/zinc/94/17/49/347941749.db2.gz DFTVZYXSFQZENO-LBPRGKRZSA-N 0 0 284.377 2.658 10 30 CFEERN CC#CCNCc1ccc(C)cc1Br ZINC000160588322 348018850 /nfs/dbraw/zinc/01/88/50/348018850.db2.gz DQIJCEIKGJXZBH-UHFFFAOYSA-N 0 0 252.155 2.870 10 30 CFEERN OCCCC#Cc1cc(Br)ccc1F ZINC000163524547 348034214 /nfs/dbraw/zinc/03/42/14/348034214.db2.gz AXWXPKBRDXYLRQ-UHFFFAOYSA-N 0 0 257.102 2.712 10 30 CFEERN N#Cc1c(Br)cccc1NCC(F)F ZINC000165002005 348037861 /nfs/dbraw/zinc/03/78/61/348037861.db2.gz MMMPXHQUPKXRGK-UHFFFAOYSA-N 0 0 261.069 2.998 10 30 CFEERN CCSc1cccc(Br)c1/C(N)=N/O ZINC000165056769 348037943 /nfs/dbraw/zinc/03/79/43/348037943.db2.gz AGMAQWMXZGWOQJ-UHFFFAOYSA-N 0 0 275.171 2.656 10 30 CFEERN C[C@@H](OS(C)(=O)=O)c1ccc(F)cc1Cl ZINC000166222223 348041712 /nfs/dbraw/zinc/04/17/12/348041712.db2.gz RBFKWQIJZGOYFO-ZCFIWIBFSA-N 0 0 252.694 2.516 10 30 CFEERN C=CC(=O)c1csc(I)c1 ZINC000168987758 348050167 /nfs/dbraw/zinc/05/01/67/348050167.db2.gz ZOEINLWQNVZWAP-UHFFFAOYSA-N 0 0 264.087 2.721 10 30 CFEERN C[C@H](C#N)Nc1cc(Br)ccc1C#N ZINC000235216275 348225337 /nfs/dbraw/zinc/22/53/37/348225337.db2.gz BUYKMMXUTHKQRI-SSDOTTSWSA-N 0 0 250.099 2.645 10 30 CFEERN C=C(Br)CNc1nc(Cl)ncc1F ZINC000229316515 348200706 /nfs/dbraw/zinc/20/07/06/348200706.db2.gz SQIPVPHOSHOVNK-UHFFFAOYSA-N 0 0 266.501 2.590 10 30 CFEERN C=C(Br)CNc1nc(Cl)ncc1C ZINC000229317042 348200763 /nfs/dbraw/zinc/20/07/63/348200763.db2.gz RJXOIBUFTXPSFT-UHFFFAOYSA-N 0 0 262.538 2.759 10 30 CFEERN C[C@H](C=O)c1ccccc1I ZINC000238444491 348245449 /nfs/dbraw/zinc/24/54/49/348245449.db2.gz WETQEEHPZQVBNE-SSDOTTSWSA-N 0 0 260.074 2.594 10 30 CFEERN N#CCc1nccc(Br)c1OC(F)(F)F ZINC000238518100 348246623 /nfs/dbraw/zinc/24/66/23/348246623.db2.gz TVNYJGPABNWNOW-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#CCc1ccnc(OC(F)(F)F)c1Br ZINC000238549486 348247140 /nfs/dbraw/zinc/24/71/40/348247140.db2.gz SFSYEXHZCCALDZ-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#CCc1cc(Br)c(OC(F)(F)F)cn1 ZINC000238540975 348247378 /nfs/dbraw/zinc/24/73/78/348247378.db2.gz NAIUGQRKVSXASR-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN COc1cccc(C=Nc2ccccc2C(N)=O)c1 ZINC000257351858 348306123 /nfs/dbraw/zinc/30/61/23/348306123.db2.gz HMVRMXKEEBZAGI-UHFFFAOYSA-N 0 0 254.289 2.545 10 30 CFEERN C=C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)OC ZINC000304217230 348377660 /nfs/dbraw/zinc/37/76/60/348377660.db2.gz RFURCHIBBMMJIR-CABZTGNLSA-N 0 0 298.180 2.827 10 30 CFEERN COC(=O)c1c(Br)cc(Cl)cc1C#N ZINC000306239368 348385410 /nfs/dbraw/zinc/38/54/10/348385410.db2.gz JVANPYOOFBOEPG-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN N#Cc1cnc(C(F)(F)F)cc1Br ZINC000306821597 348393349 /nfs/dbraw/zinc/39/33/49/348393349.db2.gz KTNOPZZJYUFWEI-UHFFFAOYSA-N 0 0 251.005 2.735 10 30 CFEERN N#Cc1c(N)ccc(Br)c1C(F)(F)F ZINC000306982992 348394362 /nfs/dbraw/zinc/39/43/62/348394362.db2.gz SGYMLAUZYQBRRL-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN O=C(c1csc(Br)c1)C1=COCC1 ZINC000307537199 348400200 /nfs/dbraw/zinc/40/02/00/348400200.db2.gz JEMYYFHNNJLIQM-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN N#CC1(CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000087930654 179525949 /nfs/dbraw/zinc/52/59/49/179525949.db2.gz KLUXNEDYFIAMAF-UHFFFAOYSA-N 0 0 260.293 2.848 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(Br)cc1N ZINC000396038085 348552792 /nfs/dbraw/zinc/55/27/92/348552792.db2.gz GHWAZQUTQYFJNE-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN Cc1ccnc(N[C@H]2CNc3ccccc3C2)c1C#N ZINC000404482333 348592476 /nfs/dbraw/zinc/59/24/76/348592476.db2.gz 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2.692 10 30 CFEERN C[C@H](COc1ccc2ccccc2c1)NC=NC#N ZINC000584605506 348688256 /nfs/dbraw/zinc/68/82/56/348688256.db2.gz UWHWZUSNJOVXIG-GFCCVEGCSA-N 0 0 253.305 2.706 10 30 CFEERN Cc1ncc([N+](=O)[O-])cc1-c1cnc(Cl)c(C#N)c1 ZINC000584613107 348689989 /nfs/dbraw/zinc/68/99/89/348689989.db2.gz AVVIDPKLDKDJOG-UHFFFAOYSA-N 0 0 274.667 2.885 10 30 CFEERN CC[C@H](C)C/C(=N/N)c1ccc(Br)cn1 ZINC000584620491 348692236 /nfs/dbraw/zinc/69/22/36/348692236.db2.gz QRHCFBPNBLNLGH-XCWPYAQASA-N 0 0 270.174 2.943 10 30 CFEERN CC(C)CNC(=O)c1ccc(-c2ccc(C#N)cc2)[nH]c1=O ZINC000584631814 348696169 /nfs/dbraw/zinc/69/61/69/348696169.db2.gz BNROYAMZCCWIEM-UHFFFAOYSA-N 0 0 295.342 2.712 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1ccc(F)nc1 ZINC000584633944 348697264 /nfs/dbraw/zinc/69/72/64/348697264.db2.gz RSMPMVLQLVDLLH-LSDHHAIUSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1cnccc1F ZINC000584633844 348697616 /nfs/dbraw/zinc/69/76/16/348697616.db2.gz PELNHCOIBUPWSD-KBPBESRZSA-N 0 0 270.307 2.994 10 30 CFEERN CC(C)C[C@@](C#N)(CCN1CCOCC1)c1ccccn1 ZINC000584636125 348698324 /nfs/dbraw/zinc/69/83/24/348698324.db2.gz YUZZMHKSRFGWDP-QGZVFWFLSA-N 0 0 287.407 2.611 10 30 CFEERN C=C(Br)[C@@H]1CN=C(c2cccc([N+](=O)[O-])c2)O1 ZINC000584637050 348698916 /nfs/dbraw/zinc/69/89/16/348698916.db2.gz NQNODVDWRBOTET-JTQLQIEISA-N 0 0 297.108 2.649 10 30 CFEERN C#CCNC(=O)C1c2ccccc2CCc2ccccc21 ZINC000584638998 348699890 /nfs/dbraw/zinc/69/98/90/348699890.db2.gz ROLIXLWAZXCHBE-UHFFFAOYSA-N 0 0 275.351 2.667 10 30 CFEERN C#CCN1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC000584651814 348701884 /nfs/dbraw/zinc/70/18/84/348701884.db2.gz SCMBZRFWFXPSFY-UHFFFAOYSA-N 0 0 269.175 2.749 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2cnccc2c1 ZINC000590674662 348926307 /nfs/dbraw/zinc/92/63/07/348926307.db2.gz LLQAZOJAMXAVJJ-HIFRSBDPSA-N 0 0 265.316 2.657 10 30 CFEERN CCn1nc(C[C@]2(C#N)CCCC2=O)c2ccccc21 ZINC000089180445 179744439 /nfs/dbraw/zinc/74/44/39/179744439.db2.gz AFQCFSGNGGSEEG-INIZCTEOSA-N 0 0 267.332 2.862 10 30 CFEERN CCC(CC)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000104433283 186000704 /nfs/dbraw/zinc/00/07/04/186000704.db2.gz YRRSGHJAILIOPN-NSHDSACASA-N 0 0 280.393 2.661 10 30 CFEERN N#Cc1cccc(-c2ccc3c(c2)NC(=O)CO3)c1 ZINC000090567788 180006612 /nfs/dbraw/zinc/00/66/12/180006612.db2.gz COESPBIQDNJDQB-UHFFFAOYSA-N 0 0 250.257 2.556 10 30 CFEERN C=C(C)Cc1c(I)ccnc1F ZINC000090755913 180036521 /nfs/dbraw/zinc/03/65/21/180036521.db2.gz WBTSDNRMQNORFD-UHFFFAOYSA-N 0 0 277.080 2.944 10 30 CFEERN C=CCN1C(=O)CS/C1=N/N=C\c1ccc(Cl)cc1 ZINC000105677469 186067616 /nfs/dbraw/zinc/06/76/16/186067616.db2.gz NHUONYUPNJDWEW-JUKZPKAISA-N 0 0 293.779 2.791 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cscc1Cl ZINC000601272868 350714430 /nfs/dbraw/zinc/71/44/30/350714430.db2.gz ANECGYMXFZSJEZ-GMSGAONNSA-N 0 0 254.742 2.824 10 30 CFEERN N#Cc1c(Cl)cccc1N[C@H]1CCC[C@@H](O)C1 ZINC000603865945 351188039 /nfs/dbraw/zinc/18/80/39/351188039.db2.gz VYPVJOWXSXUEHB-VHSXEESVSA-N 0 0 250.729 2.927 10 30 CFEERN CCOC(=O)C(Cl)=NNc1cc(C)ccc1C ZINC000606206205 351260198 /nfs/dbraw/zinc/26/01/98/351260198.db2.gz ZXOBUTGZFHUQNN-UHFFFAOYSA-N 0 0 254.717 2.831 10 30 CFEERN N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000609149798 351488663 /nfs/dbraw/zinc/48/86/63/351488663.db2.gz SFIUVODGUAYTDC-NEPJUHHUSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000609149801 351488665 /nfs/dbraw/zinc/48/86/65/351488665.db2.gz SFIUVODGUAYTDC-VXGBXAGGSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@H](O)C1 ZINC000609891455 351526073 /nfs/dbraw/zinc/52/60/73/351526073.db2.gz NWRLVUILQKVZIZ-RYUDHWBXSA-N 0 0 250.729 2.927 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccn1Cc1ccccc1 ZINC000610496118 351571864 /nfs/dbraw/zinc/57/18/64/351571864.db2.gz QKSTXNSIMLPRCM-JKSUJKDBSA-N 0 0 293.370 2.958 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000610497195 351572458 /nfs/dbraw/zinc/57/24/58/351572458.db2.gz VKJFXBLAXHSVJG-GXTWGEPZSA-N 0 0 292.379 2.867 10 30 CFEERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(C#N)o1)C2 ZINC000123305481 187084019 /nfs/dbraw/zinc/08/40/19/187084019.db2.gz SEWWPHVFLGWPTM-UHFFFAOYSA-N 0 0 284.363 2.566 10 30 CFEERN N#Cc1cccc([C@H]2CCN(C(N)=O)c3ccccc32)c1 ZINC000616588543 352376167 /nfs/dbraw/zinc/37/61/67/352376167.db2.gz LZBVWRWWOASXDS-CQSZACIVSA-N 0 0 277.327 2.979 10 30 CFEERN COC(=O)N1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616629731 352391398 /nfs/dbraw/zinc/39/13/98/352391398.db2.gz JHSAPGSUUNILLA-CYBMUJFWSA-N 0 0 258.321 2.894 10 30 CFEERN N#Cc1ccc([C@@H]2CNc3ccccc3N2CCO)cc1 ZINC000616684751 352412966 /nfs/dbraw/zinc/41/29/66/352412966.db2.gz OEOYJPKLLWSYLX-KRWDZBQOSA-N 0 0 279.343 2.524 10 30 CFEERN N#Cc1cccc([C@@H]2CCN(CCO)c3ccccc32)c1 ZINC000616673684 352407850 /nfs/dbraw/zinc/40/78/50/352407850.db2.gz YUHZGYZDELCPCA-INIZCTEOSA-N 0 0 278.355 2.893 10 30 CFEERN O=C1Nc2ccc(Cl)cc2/C1=N/N=C/c1ccco1 ZINC000169307049 188656382 /nfs/dbraw/zinc/65/63/82/188656382.db2.gz OPPXCFLIQGORAO-VIZOYTHASA-N 0 0 273.679 2.708 10 30 CFEERN 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CCc1ccccc1NC(=O)CNc1ccc(C#N)nc1 ZINC000301599961 201090685 /nfs/dbraw/zinc/09/06/85/201090685.db2.gz UTTYDZMKYTYVSQ-UHFFFAOYSA-N 0 0 280.331 2.566 10 30 CFEERN CC[C@H](Nc1ccc(C#N)nn1)c1cccc([N+](=O)[O-])c1 ZINC000301960612 201278499 /nfs/dbraw/zinc/27/84/99/201278499.db2.gz MIYLPBLBPFWZMJ-ZDUSSCGKSA-N 0 0 283.291 2.820 10 30 CFEERN C=CC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961455 541477033 /nfs/dbraw/zinc/47/70/33/541477033.db2.gz IQCSESKWDTXDCO-QWRGUYRKSA-N 0 0 251.326 2.601 10 30 CFEERN C/C=C/C(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000685958957 541472716 /nfs/dbraw/zinc/47/27/16/541472716.db2.gz GPMQVJCLAMODFC-FNORWQNLSA-N 0 0 253.342 2.969 10 30 CFEERN C=C(Cl)CC(=O)CNC(=O)OCc1ccccc1 ZINC000685959286 541473505 /nfs/dbraw/zinc/47/35/05/541473505.db2.gz QQVPCOKSURJDKC-UHFFFAOYSA-N 0 0 267.712 2.625 10 30 CFEERN C[C@H]1CC(=O)Oc2cc(Oc3ccc(C#N)nn3)ccc21 ZINC000302807189 201560488 /nfs/dbraw/zinc/56/04/88/201560488.db2.gz GDUHZLRVBKJKSU-VIFPVBQESA-N 0 0 281.271 2.553 10 30 CFEERN CC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232813882 189818298 /nfs/dbraw/zinc/81/82/98/189818298.db2.gz XHSUUMLUQBGNHA-UHFFFAOYSA-N 0 0 260.297 2.852 10 30 CFEERN C=C[C@H](O)C#CC#C/C=C/[C@@H](O)CCCCCCC ZINC000001858767 371710671 /nfs/dbraw/zinc/71/06/71/371710671.db2.gz DSVMWGREWREVQQ-LHGWUTHLSA-N 0 0 260.377 2.818 10 30 CFEERN COc1cccc2c1C/C(=C\c1ccncc1)C2=O ZINC000013736263 372046250 /nfs/dbraw/zinc/04/62/50/372046250.db2.gz PBLNUULCDSCFID-FMIVXFBMSA-N 0 0 251.285 2.913 10 30 CFEERN CN(C)c1ccc(C(=O)/C=C/c2cccc(C(N)=O)c2)cc1 ZINC000013807927 372049858 /nfs/dbraw/zinc/04/98/58/372049858.db2.gz LBGYCHWWYVAIGE-IZZDOVSWSA-N 0 0 294.354 2.748 10 30 CFEERN O=C(/C=C/c1ccc(O)c(O)c1)c1cccc(O)c1 ZINC000013834194 372051335 /nfs/dbraw/zinc/05/13/35/372051335.db2.gz WZCFLOPLJCNJKN-GQCTYLIASA-N 0 0 256.257 2.700 10 30 CFEERN CC(C)(C)NC1=NC(=O)N(C(C)(C)C)[C@@H]1NC(C)(C)C ZINC000019958504 372216284 /nfs/dbraw/zinc/21/62/84/372216284.db2.gz NMNFONWSEMOPKM-NSHDSACASA-N 0 0 282.432 2.721 10 30 CFEERN C=CCNC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 ZINC000028230737 372360376 /nfs/dbraw/zinc/36/03/76/372360376.db2.gz YTUQNZRSLSRNGY-UHFFFAOYSA-N 0 0 299.326 2.977 10 30 CFEERN Cn1c(NC(=O)c2cccc(C#N)c2)nc2ccccc21 ZINC000027923978 372352173 /nfs/dbraw/zinc/35/21/73/372352173.db2.gz LCIJKOKBSRYNHW-UHFFFAOYSA-N 0 0 276.299 2.697 10 30 CFEERN Clc1cccc(Cl)c1/C=N/CCN1CCOCC1 ZINC000028114217 372357429 /nfs/dbraw/zinc/35/74/29/372357429.db2.gz MJWYZLZSTZHFFX-MHWRWJLKSA-N 0 0 287.190 2.745 10 30 CFEERN Oc1ccccc1/C=N/NC(=S)c1ccccc1 ZINC000028868805 372370953 /nfs/dbraw/zinc/37/09/53/372370953.db2.gz VXZUUYKZNSQUOU-XNTDXEJSSA-N 0 0 256.330 2.691 10 30 CFEERN O=[N+]([O-])c1ccc(N=NCc2ccco2)c([N+](=O)[O-])c1 ZINC000032151000 372432687 /nfs/dbraw/zinc/43/26/87/372432687.db2.gz JLMSXDMAAIAPCZ-GHXNOFRVSA-N 0 0 276.208 2.542 10 30 CFEERN CN1C(=O)/C(=C/C(=O)c2cccs2)c2ccccc21 ZINC000033330495 372492211 /nfs/dbraw/zinc/49/22/11/372492211.db2.gz FXRHSOJHHUQOEY-PKNBQFBNSA-N 0 0 269.325 2.991 10 30 CFEERN N#CCCNc1ccccc1I ZINC000033440445 372494264 /nfs/dbraw/zinc/49/42/64/372494264.db2.gz VCRNEGIDNPZKQD-UHFFFAOYSA-N 0 0 272.089 2.617 10 30 CFEERN C=CCc1c(O)c(C(=O)OC)cc(Cl)c1NC(C)=O ZINC000034404841 372508953 /nfs/dbraw/zinc/50/89/53/372508953.db2.gz HAFRYROUUMEXHM-UHFFFAOYSA-N 0 0 283.711 2.519 10 30 CFEERN N#Cc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000052065064 373432963 /nfs/dbraw/zinc/43/29/63/373432963.db2.gz OBQVIZGEJSJWSC-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN Cc1ccc(NC(=S)N/N=C\c2ccc[nH]2)cc1 ZINC000056678476 373567086 /nfs/dbraw/zinc/56/70/86/373567086.db2.gz HVGZRNRPFMKSIE-DHDCSXOGSA-N 0 0 258.350 2.644 10 30 CFEERN CCC1N=NC(=S)N1N=CC=Cc1ccccc1OC ZINC000056673500 373567480 /nfs/dbraw/zinc/56/74/80/373567480.db2.gz GNFWKAKNQBHPJW-FGYNHCNGSA-N 0 0 288.376 2.685 10 30 CFEERN Cc1cccc(CCC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888422 373734083 /nfs/dbraw/zinc/73/40/83/373734083.db2.gz JAWKMMXQMLRGHK-GJZGRUSLSA-N 0 0 256.349 2.736 10 30 CFEERN COc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061888273 373734993 /nfs/dbraw/zinc/73/49/93/373734993.db2.gz VRVDEEHGWODWFX-JOYOIKCWSA-N 0 0 278.739 2.771 10 30 CFEERN N#C[C@H]1CCCN1Cc1ccc(Br)o1 ZINC000070662385 374201342 /nfs/dbraw/zinc/20/13/42/374201342.db2.gz PKRWOMQHUGTIJP-MRVPVSSYSA-N 0 0 255.115 2.530 10 30 CFEERN C=CCOc1ccc(/C=C/C(=O)N[C@@H]2C[C@@H]2C)cc1OC ZINC000075531297 374489624 /nfs/dbraw/zinc/48/96/24/374489624.db2.gz AZLSAUXSVNTFGQ-SKVWCYETSA-N 0 0 287.359 2.798 10 30 CFEERN N#Cc1cc(F)c(N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000083420590 374744493 /nfs/dbraw/zinc/74/44/93/374744493.db2.gz SBOIIFLYSNNOTL-GFCCVEGCSA-N 0 0 277.318 2.511 10 30 CFEERN Cc1nn(-c2cccc(Cl)c2Cl)c(N)c1C#N ZINC000082317682 374735819 /nfs/dbraw/zinc/73/58/19/374735819.db2.gz BKNBNBMRHSAJTG-UHFFFAOYSA-N 0 0 267.119 2.941 10 30 CFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2O)cc1C(F)(F)F ZINC000088191516 374835529 /nfs/dbraw/zinc/83/55/29/374835529.db2.gz OIXNCPOJDCQSEO-NEPJUHHUSA-N 0 0 270.254 2.902 10 30 CFEERN O=C1COc2c([C@H]3CO3)ccc(OCc3ccccc3)c2N1 ZINC000261507782 190039976 /nfs/dbraw/zinc/03/99/76/190039976.db2.gz MFOOYKHWFAJGMI-CQSZACIVSA-N 0 0 297.310 2.668 10 30 CFEERN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116048302 376159506 /nfs/dbraw/zinc/15/95/06/376159506.db2.gz DPBQSECCWSAFSH-CQSZACIVSA-N 0 0 296.326 2.894 10 30 CFEERN Cc1ccc([C@H]2CCCCN2C(=O)CSCC#N)o1 ZINC000127793924 377302602 /nfs/dbraw/zinc/30/26/02/377302602.db2.gz HPLORKOPYXCGSU-GFCCVEGCSA-N 0 0 278.377 2.898 10 30 CFEERN C[C@@H]1OCC[C@@H]1Nc1ccc(Br)cc1C#N ZINC000134217457 377993486 /nfs/dbraw/zinc/99/34/86/377993486.db2.gz WCVIUFZHZGHNQR-KWQFWETISA-N 0 0 281.153 2.910 10 30 CFEERN C=CCC(CC=C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135789650 378164183 /nfs/dbraw/zinc/16/41/83/378164183.db2.gz RBBGFSOXDJMHBR-MRXNPFEDSA-N 0 0 286.375 2.830 10 30 CFEERN C=C(Br)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000151108801 378295991 /nfs/dbraw/zinc/29/59/91/378295991.db2.gz XTVWGUFGOBJWIX-LBPRGKRZSA-N 0 0 296.212 2.724 10 30 CFEERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C#N)nc1 ZINC000154807877 378595826 /nfs/dbraw/zinc/59/58/26/378595826.db2.gz CKYDLYRCXBQMBU-UHFFFAOYSA-N 0 0 289.342 2.980 10 30 CFEERN CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccco1 ZINC000164927159 379027424 /nfs/dbraw/zinc/02/74/24/379027424.db2.gz GVNFYNGVEDLXQF-GPILYODUSA-N 0 0 299.441 2.949 10 30 CFEERN C[C@]1(COC(=O)/C=C/c2ccccc2)CC=CC1=O ZINC000169314947 379105826 /nfs/dbraw/zinc/10/58/26/379105826.db2.gz PSSFZHLYIBHXOH-ZNFPLGDCSA-N 0 0 256.301 2.778 10 30 CFEERN N#CCCCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000171499839 379322469 /nfs/dbraw/zinc/32/24/69/379322469.db2.gz BMWQVGHWIGEMPS-CVEARBPZSA-N 0 0 286.375 2.964 10 30 CFEERN C=CC[C@H](C)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000172059629 379480762 /nfs/dbraw/zinc/48/07/62/379480762.db2.gz ABASCLFLYJSNCP-AAEUAGOBSA-N 0 0 260.337 2.774 10 30 CFEERN C=CC[C@@H](C)NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000172059626 379480920 /nfs/dbraw/zinc/48/09/20/379480920.db2.gz ABASCLFLYJSNCP-DGCLKSJQSA-N 0 0 260.337 2.774 10 30 CFEERN C[C@H](CCNc1cccc(C#N)n1)NC(=O)OC(C)(C)C ZINC000172409501 379560776 /nfs/dbraw/zinc/56/07/76/379560776.db2.gz BRVFDDJIELHLLX-LLVKDONJSA-N 0 0 290.367 2.668 10 30 CFEERN C=CCCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173437568 379739418 /nfs/dbraw/zinc/73/94/18/379739418.db2.gz XGXOPUFHROYMGY-NSHDSACASA-N 0 0 263.341 2.823 10 30 CFEERN O=C(OC1CCCCC1)[C@H]1O[C@@H]1C(=O)OC1CCCCC1 ZINC000000004241 169504450 /nfs/dbraw/zinc/50/44/50/169504450.db2.gz BFNPKMCCSOGPLI-KBPBESRZSA-N 0 0 296.363 2.506 10 30 CFEERN CN(C)c1ccc(C(=NN)c2ccc(N(C)C)cc2)cc1 ZINC000000047174 169516529 /nfs/dbraw/zinc/51/65/29/169516529.db2.gz PCZXDDXEYBFQIQ-UHFFFAOYSA-N 0 0 282.391 2.530 10 30 CFEERN CCn1cc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)cn1 ZINC000329229514 227366148 /nfs/dbraw/zinc/36/61/48/227366148.db2.gz CRLXBKBKHOGSMO-VXGBXAGGSA-N 0 0 251.330 2.552 10 30 CFEERN CCc1ncc2c(n1)CN(c1ccc(F)cc1C#N)CC2 ZINC000301390361 382166852 /nfs/dbraw/zinc/16/68/52/382166852.db2.gz GHMFMCXDEXXAMH-UHFFFAOYSA-N 0 0 282.322 2.612 10 30 CFEERN C=CCO[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000302134046 382209020 /nfs/dbraw/zinc/20/90/20/382209020.db2.gz HKDCNTUKQGFASB-SNVBAGLBSA-N 0 0 284.262 2.654 10 30 CFEERN CC[C@@H]1CN(c2cc(C)nc(C)c2C#N)C[C@H](C)O1 ZINC000301772714 382191320 /nfs/dbraw/zinc/19/13/20/382191320.db2.gz JYHVYQVWEZXEKR-WCQYABFASA-N 0 0 259.353 2.574 10 30 CFEERN COc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302725803 382302983 /nfs/dbraw/zinc/30/29/83/382302983.db2.gz NRRFAXOLNJCGDC-UHFFFAOYSA-N 0 0 298.302 2.506 10 30 CFEERN CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302737278 382306712 /nfs/dbraw/zinc/30/67/12/382306712.db2.gz PTIHNSRWTAYYET-UHFFFAOYSA-N 0 0 286.266 2.637 10 30 CFEERN CCc1nnc(Oc2ccc(C#N)c(F)c2)nc1CC ZINC000302739322 382307470 /nfs/dbraw/zinc/30/74/70/382307470.db2.gz QCMYNZHQOQVWJA-UHFFFAOYSA-N 0 0 272.283 2.799 10 30 CFEERN Cc1ccccc1Oc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302748942 382309809 /nfs/dbraw/zinc/30/98/09/382309809.db2.gz UNUYSSYEVUNWQQ-UHFFFAOYSA-N 0 0 255.233 2.962 10 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30 CFEERN O=C(C=C(O)C=Cc1ccc(O)cc1)C(F)(F)C(F)F ZINC000390824283 382618702 /nfs/dbraw/zinc/61/87/02/382618702.db2.gz KZGFPDWIOJDSPU-ZZXKWVIFSA-N 0 0 290.212 2.834 10 30 CFEERN N#Cc1cc(N)cc(OC(F)(F)F)c1Br ZINC000396036931 382630950 /nfs/dbraw/zinc/63/09/50/382630950.db2.gz CWNLVWBZDTZCOV-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)c(F)c2)cn1 ZINC000092701840 184621215 /nfs/dbraw/zinc/62/12/15/184621215.db2.gz OYMLJOJTJNAPAZ-CQSZACIVSA-N 0 0 291.713 2.891 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(Cl)c1CC ZINC000575382463 382763164 /nfs/dbraw/zinc/76/31/64/382763164.db2.gz NGRANMGGVLUFBH-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1c(C#N)cc(Cl)cc1C(F)(F)F ZINC000575383020 382763170 /nfs/dbraw/zinc/76/31/70/382763170.db2.gz ALLOGWRJZAMDNC-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1Cl ZINC000575382541 382763302 /nfs/dbraw/zinc/76/33/02/382763302.db2.gz XVKSSCFXQAIZRX-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN 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O=C(OCc1ccccc1)N1CC[C@@H](CCS)C1 ZINC000095078984 526426911 /nfs/dbraw/zinc/42/69/11/526426911.db2.gz AUMZCBBCNIKLJN-LBPRGKRZSA-N 0 0 265.378 2.965 10 30 CFEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1cccc(Cl)c1 ZINC000062235858 526507734 /nfs/dbraw/zinc/50/77/34/526507734.db2.gz YVKMROZXDJHMLF-YPMHNXCESA-N 0 0 263.724 2.943 10 30 CFEERN N#Cc1ccc(CCC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000194867565 526608347 /nfs/dbraw/zinc/60/83/47/526608347.db2.gz RZAJSLXXEUMTAP-MRXNPFEDSA-N 0 0 292.338 2.741 10 30 CFEERN N#Cc1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000069401891 526640415 /nfs/dbraw/zinc/64/04/15/526640415.db2.gz CWBNPVCCYZLENV-CQSZACIVSA-N 0 0 276.311 2.527 10 30 CFEERN N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000069401732 526640493 /nfs/dbraw/zinc/64/04/93/526640493.db2.gz FOFUZEDQADDPNK-HNNXBMFYSA-N 0 0 290.338 2.917 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000247448521 526640535 /nfs/dbraw/zinc/64/05/35/526640535.db2.gz JBZHBAGPMCYDQW-HZPDHXFCSA-N 0 0 274.339 2.841 10 30 CFEERN Cc1nc(C(=O)Nc2ccccc2[C@@H](C)O)ccc1C#N ZINC000049549641 526657859 /nfs/dbraw/zinc/65/78/59/526657859.db2.gz NRGQXKJCWGUIQW-LLVKDONJSA-N 0 0 281.315 2.567 10 30 CFEERN N#Cc1ccc(OCc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000050831095 526677437 /nfs/dbraw/zinc/67/74/37/526677437.db2.gz WQJAGWXQEMUWJZ-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN N#Cc1ccc(OCc2ccc(C#N)cc2F)c(N)c1 ZINC000048786023 526677716 /nfs/dbraw/zinc/67/77/16/526677716.db2.gz FQPONYICQWWLGR-UHFFFAOYSA-N 0 0 267.263 2.730 10 30 CFEERN N#Cc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1F ZINC000300240821 526703586 /nfs/dbraw/zinc/70/35/86/526703586.db2.gz YRWUNVABOZGCLZ-CABCVRRESA-N 0 0 274.339 2.841 10 30 CFEERN O=C(NCc1cccc(C#CCO)c1)c1ccccc1Cl ZINC000049588119 526710324 /nfs/dbraw/zinc/71/03/24/526710324.db2.gz SJRAKLVOHQEOEX-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN N#Cc1ccccc1NC(=O)c1cc(F)c(F)cc1N ZINC000050016228 526742700 /nfs/dbraw/zinc/74/27/00/526742700.db2.gz YHMYXTVZQFRIEI-UHFFFAOYSA-N 0 0 273.242 2.671 10 30 CFEERN N/C(=N/O)c1ccc(Sc2ccccn2)c(Cl)c1 ZINC000062794985 526802885 /nfs/dbraw/zinc/80/28/85/526802885.db2.gz KODNEMBSDKKSNG-UHFFFAOYSA-N 0 0 279.752 2.981 10 30 CFEERN O=C(Nc1ccc(C#CCO)cc1)c1ccc(Cl)s1 ZINC000051172674 527161138 /nfs/dbraw/zinc/16/11/38/527161138.db2.gz IBRYCYLOHHGHHK-UHFFFAOYSA-N 0 0 291.759 2.998 10 30 CFEERN Cc1nc2ccccc2n(Cc2cccc(C#N)c2)c1=O ZINC000050499233 527162670 /nfs/dbraw/zinc/16/26/70/527162670.db2.gz IOYDRUGAVKNQAR-UHFFFAOYSA-N 0 0 275.311 2.625 10 30 CFEERN Cc1ncc(CNc2cc(C)nc(C)c2C#N)s1 ZINC000157410552 527278850 /nfs/dbraw/zinc/27/88/50/527278850.db2.gz LEZROFUZPDXLJI-UHFFFAOYSA-N 0 0 258.350 2.947 10 30 CFEERN O=C(Cc1ccccc1)Nc1cc(C#CCO)ccc1Cl ZINC000061691599 527282542 /nfs/dbraw/zinc/28/25/42/527282542.db2.gz PNJOAJZMYKEMAW-UHFFFAOYSA-N 0 0 299.757 2.865 10 30 CFEERN Cc1nn(-c2ccc(C#N)cc2N)c(C)c1Br ZINC000050588533 527520194 /nfs/dbraw/zinc/52/01/94/527520194.db2.gz HRXWSOIKKRBREF-UHFFFAOYSA-N 0 0 291.152 2.706 10 30 CFEERN Cc1nn(-c2ncccc2C#N)c(C)c1Br ZINC000050593158 527572870 /nfs/dbraw/zinc/57/28/70/527572870.db2.gz FHBSGKHLLNMKFD-UHFFFAOYSA-N 0 0 277.125 2.518 10 30 CFEERN CCCCCCCCCCS(=O)(=O)c1nc[nH]n1 ZINC000097965957 528126144 /nfs/dbraw/zinc/12/61/44/528126144.db2.gz AIZUUTZRLJRTDQ-UHFFFAOYSA-N 0 0 273.402 2.719 10 30 CFEERN CC(C)c1nc(CNc2ccc(C#N)nn2)cs1 ZINC000301893563 528283653 /nfs/dbraw/zinc/28/36/53/528283653.db2.gz AQVPFOPYKISIJO-UHFFFAOYSA-N 0 0 259.338 2.540 10 30 CFEERN CCC1(CC)CN(c2ccc(C#N)cc2F)CC[S@@]1=O ZINC000302215830 535266699 /nfs/dbraw/zinc/26/66/99/535266699.db2.gz HTYBZFFTEOFWEG-HXUWFJFHSA-N 0 0 294.395 2.825 10 30 CFEERN CC(=O)OC[C@@H](O)C#Cc1ccc(-c2cccs2)s1 ZINC000000902145 560180027 /nfs/dbraw/zinc/18/00/27/560180027.db2.gz PNRXZPUOVXRYEX-NSHDSACASA-N 0 0 292.381 2.752 10 30 in-vitro CFEERN COc1cc2oc(=O)ccc2cc1C[C@H]1OC1(C)C ZINC000012153729 560211505 /nfs/dbraw/zinc/21/15/05/560211505.db2.gz JZRVCRZHZQXYDH-CYBMUJFWSA-N 0 0 260.289 2.522 10 30 biogenic,in-vitro CFEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccccc1Cl ZINC000234599076 567853186 /nfs/dbraw/zinc/85/31/86/567853186.db2.gz KMQNGXJFANVYEP-MNOVXSKESA-N 0 0 261.104 2.694 10 30 CFEERN CCOc1cccc(/C=N\[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000255470310 617963165 /nfs/dbraw/zinc/96/31/65/617963165.db2.gz BULQSEQGUHCLMJ-MTUBTWAWSA-N 0 0 293.363 2.940 10 30 CFEERN CCOC(=O)c1csc(C(=O)/C=C\C(C)C)n1 ZINC000200915253 618052317 /nfs/dbraw/zinc/05/23/17/618052317.db2.gz ZCMCSYZGDZAHMF-WAYWQWQTSA-N 0 0 253.323 2.715 10 30 CFEERN C[C@@H](OC(=O)c1cc(C#N)cn1C)c1cccs1 ZINC000176121774 617792699 /nfs/dbraw/zinc/79/26/99/617792699.db2.gz HZTRAZQHLWGZBG-SECBINFHSA-N 0 0 260.318 2.876 10 30 CFEERN CC(C)(C)C1CCC(C2COS(=O)(=O)OC2)CC1 ZINC000757190574 617879490 /nfs/dbraw/zinc/87/94/90/617879490.db2.gz CENBBALIWOCPQQ-UHFFFAOYSA-N 0 0 276.398 2.747 10 30 CFEERN C/C(=C\C(=O)N[C@H](C)C#N)c1ccccc1OC(F)F ZINC000177621902 617971750 /nfs/dbraw/zinc/97/17/50/617971750.db2.gz KHQGYMAEPWKHKF-TTZKWOQHSA-N 0 0 280.274 2.720 10 30 CFEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000255695594 618265659 /nfs/dbraw/zinc/26/56/59/618265659.db2.gz FXLGQLKJWOKOKN-ZRNVIFCMSA-N 0 0 296.370 2.741 10 30 CFEERN C#CCCCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000177836563 618607868 /nfs/dbraw/zinc/60/78/68/618607868.db2.gz VMTMTFFVUAKESK-CYBMUJFWSA-N 0 0 298.308 2.873 10 30 CFEERN Cc1ccc(NN=C(NNc2ccc(C)cc2)[N+](=O)[O-])cc1 ZINC000095116283 618887171 /nfs/dbraw/zinc/88/71/71/618887171.db2.gz FPKFBQUGFWTCFM-UHFFFAOYSA-N 0 0 299.334 2.880 10 30 CFEERN C[C@@H](C#N)Oc1ccccc1NCc1nnc(C2CC2)n1C ZINC000182549594 625325112 /nfs/dbraw/zinc/32/51/12/625325112.db2.gz YPYKRCLIESGAGR-NSHDSACASA-N 0 0 297.362 2.595 10 30 CFEERN COc1ccc(CN[C@@H](C)c2ncc(C)o2)cc1C#N ZINC000220955858 619465415 /nfs/dbraw/zinc/46/54/15/619465415.db2.gz JUFYWXSPWDZMJM-NSHDSACASA-N 0 0 271.320 2.714 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1cccc2c1NCCC2 ZINC000163347866 620069726 /nfs/dbraw/zinc/06/97/26/620069726.db2.gz WYWJTCWCPFXAKR-HIFRSBDPSA-N 0 0 255.365 2.827 10 30 CFEERN C#CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000058818390 623066659 /nfs/dbraw/zinc/06/66/59/623066659.db2.gz SYNNUYJUJNBGQW-MRVPVSSYSA-N 0 0 273.115 2.937 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061890269 623240481 /nfs/dbraw/zinc/24/04/81/623240481.db2.gz MBSXGPTZHKJCDG-KWQFWETISA-N 0 0 293.710 2.670 10 30 CFEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000230055725 623243037 /nfs/dbraw/zinc/24/30/37/623243037.db2.gz PEDGUUGVZYJSER-RISCZKNCSA-N 0 0 258.321 2.964 10 30 CFEERN C#CCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000174122937 623390014 /nfs/dbraw/zinc/39/00/14/623390014.db2.gz LBHPUJIDXXDUAW-QWRGUYRKSA-N 0 0 276.302 2.820 10 30 CFEERN C#CCSCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000154866975 624513856 /nfs/dbraw/zinc/51/38/56/624513856.db2.gz FWPBEKCPLUEHPD-ZDUSSCGKSA-N 0 0 276.405 2.722 10 30 CFEERN C=CCOc1ccccc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000175263882 624942597 /nfs/dbraw/zinc/94/25/97/624942597.db2.gz KWOJTEARACJSNP-CHWSQXEVSA-N 0 0 276.332 2.833 10 30 CFEERN C[C@H](C#N)NC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000068925482 625037014 /nfs/dbraw/zinc/03/70/14/625037014.db2.gz MVIIFZRKHGIFCH-GFCCVEGCSA-N 0 0 258.365 2.945 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000185994404 625813923 /nfs/dbraw/zinc/81/39/23/625813923.db2.gz XAQUWIXOSNWVKK-XUJVJEKNSA-N 0 0 256.349 2.549 10 30 CFEERN Cc1cc(C(=O)N[C@H](C)C#N)cc(C)c1OC(F)F ZINC000107572551 633253229 /nfs/dbraw/zinc/25/32/29/633253229.db2.gz RHPFFAKIRZDNPY-SECBINFHSA-N 0 0 268.263 2.547 10 30 CFEERN C=CC[C@H](C)NS(=O)(=O)/C=C/c1ccccc1 ZINC000116905858 636655244 /nfs/dbraw/zinc/65/52/44/636655244.db2.gz APDNBBARYATZBK-IIANPFDCSA-N 0 0 251.351 2.541 10 30 CFEERN C=C(Br)CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000049285602 650291770 /nfs/dbraw/zinc/29/17/70/650291770.db2.gz AFYLDZSPWWPHQK-VIFPVBQESA-N 0 0 287.157 2.857 10 30 CFEERN C[C@H]1C[C@H]1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000191143908 650480762 /nfs/dbraw/zinc/48/07/62/650480762.db2.gz MWTVEDMLIFSYFK-JOYOIKCWSA-N 0 0 267.250 2.582 10 30 CFEERN C[C@H](C#N)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000195444928 650753534 /nfs/dbraw/zinc/75/35/34/650753534.db2.gz KWJWXVJFJLWJES-SNVBAGLBSA-N 0 0 289.335 2.675 10 30 CFEERN CC1=C[C@]2(S(=O)(=O)c3ccccc3)CCC[C@H]2CC1=O ZINC000196411286 650769626 /nfs/dbraw/zinc/76/96/26/650769626.db2.gz DUYPVYCAWZPZLK-XJKSGUPXSA-N 0 0 290.384 2.918 10 30 CFEERN N#Cc1cc2ccccc2nc1NC[C@@H]1CCC[C@@H]1O ZINC000089167071 650829038 /nfs/dbraw/zinc/82/90/38/650829038.db2.gz AJFJDTIDVALDGU-WFASDCNBSA-N 0 0 267.332 2.679 10 30 CFEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000246105040 650853418 /nfs/dbraw/zinc/85/34/18/650853418.db2.gz IYCORDXSIGBKAN-SOUVJXGZSA-N 0 0 282.343 2.689 10 30 CFEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246461091 650869783 /nfs/dbraw/zinc/86/97/83/650869783.db2.gz AAKWGXXUOMFXAR-INTQDDNPSA-N 0 0 250.244 2.633 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)O1 ZINC000248124660 650923598 /nfs/dbraw/zinc/92/35/98/650923598.db2.gz FQUHJVVHKWZUEA-UXIGCNINSA-N 0 0 291.322 2.619 10 30 CFEERN C#CCOCCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093049368 650931444 /nfs/dbraw/zinc/93/14/44/650931444.db2.gz CVWHNHYBYQZKIY-SECBINFHSA-N 0 0 271.769 2.619 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ncc1Cl ZINC000129305392 645147819 /nfs/dbraw/zinc/14/78/19/645147819.db2.gz GNUKBXDYASPSAX-GMSGAONNSA-N 0 0 284.146 2.810 10 30 CFEERN Cc1c(C#N)cccc1-c1nnc([C@@H]2CCCOC2)o1 ZINC000886084615 646859431 /nfs/dbraw/zinc/85/94/31/646859431.db2.gz PEIZUHFIQHCRPQ-GFCCVEGCSA-N 0 0 269.304 2.811 10 30 CFEERN C#CCOc1ccccc1CN[C@@H](C)c1ncc(C)o1 ZINC000220942367 647166480 /nfs/dbraw/zinc/16/64/80/647166480.db2.gz VBYOVVIZJMCTON-ZDUSSCGKSA-N 0 0 270.332 2.846 10 30 CFEERN CS(=O)(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000095936395 185034138 /nfs/dbraw/zinc/03/41/38/185034138.db2.gz VXXPVCDYQTXHCF-UHFFFAOYSA-N 0 0 292.356 2.742 10 30 CFEERN COCCOc1ccc2c(Cl)c(C#N)cnc2c1 ZINC000095937915 185035470 /nfs/dbraw/zinc/03/54/70/185035470.db2.gz NKNHPOUWDIAROH-UHFFFAOYSA-N 0 0 262.696 2.785 10 30 CFEERN C=CCN1c2cc(NC(=O)CCC)ccc2O[C@@H](C)C1=O ZINC000012296043 136378670 /nfs/dbraw/zinc/37/86/70/136378670.db2.gz POSPZRGVGJTNOX-NSHDSACASA-N 0 0 288.347 2.725 10 30 CFEERN N#Cc1cnc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000151055701 136393502 /nfs/dbraw/zinc/39/35/02/136393502.db2.gz KUKTUSYDFHZPSC-DOMZBBRYSA-N 0 0 291.782 2.738 10 30 CFEERN C=CCCC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000114798176 539462854 /nfs/dbraw/zinc/46/28/54/539462854.db2.gz MPSLNSXCDULNTD-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN COc1cc(Br)c2ccnc(C#N)c2c1 ZINC000521402073 539469906 /nfs/dbraw/zinc/46/99/06/539469906.db2.gz TYCLKKULDMVJFJ-UHFFFAOYSA-N 0 0 263.094 2.878 10 30 CFEERN N#Cc1cc(Br)cnc1NCc1ccccn1 ZINC000074370364 260287588 /nfs/dbraw/zinc/28/75/88/260287588.db2.gz AWYVNULBFKFECS-UHFFFAOYSA-N 0 0 289.136 2.723 10 30 CFEERN N#C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015783043 346236899 /nfs/dbraw/zinc/23/68/99/346236899.db2.gz CBGHVEJYUPRQMV-AWEZNQCLSA-N 0 0 257.314 2.725 10 30 CFEERN CC(=O)O/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085346692 179028689 /nfs/dbraw/zinc/02/86/89/179028689.db2.gz JXRLJZMKAIPGCE-RIYZIHGNSA-N 0 0 274.232 2.752 10 30 CFEERN N#CCOc1c(N)cc(Cl)cc1Br ZINC000037288479 346328727 /nfs/dbraw/zinc/32/87/27/346328727.db2.gz PPTGMKDPXNOYDQ-UHFFFAOYSA-N 0 0 261.506 2.587 10 30 CFEERN N#Cc1ccc(Oc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000037674482 346332426 /nfs/dbraw/zinc/33/24/26/346332426.db2.gz ODZRCMFGWWKUGO-UHFFFAOYSA-N 0 0 256.217 2.964 10 30 CFEERN CCOC(=O)N1CCC([C@@H](C#N)c2cccnc2)CC1 ZINC000034125075 346314696 /nfs/dbraw/zinc/31/46/96/346314696.db2.gz ATPZVRRAZNWBNX-CQSZACIVSA-N 0 0 273.336 2.557 10 30 CFEERN CCN[C@@H](C#N)c1cc(Br)ccc1F ZINC000034939485 346319100 /nfs/dbraw/zinc/31/91/00/346319100.db2.gz YIRVPFRGYSKDTP-JTQLQIEISA-N 0 0 257.106 2.762 10 30 CFEERN C=CCOC(=O)CCCCCCC(=O)OCC=C ZINC000035052508 346319664 /nfs/dbraw/zinc/31/96/64/346319664.db2.gz QFUAOHZJDCNMNB-UHFFFAOYSA-N 0 0 254.326 2.785 10 30 CFEERN CC(=O)Nc1ccc([N+](=O)[O-])c2c(C#N)cccc12 ZINC000038437300 346338860 /nfs/dbraw/zinc/33/88/60/346338860.db2.gz CHYAZUOKKVQHRG-UHFFFAOYSA-N 0 0 255.233 2.578 10 30 CFEERN N#Cc1ccccc1[S@](=O)c1cccc(F)c1C#N ZINC000039127023 346341666 /nfs/dbraw/zinc/34/16/66/346341666.db2.gz OIRVBZNLRGSVFM-LJQANCHMSA-N 0 0 270.288 2.736 10 30 CFEERN COC(=O)C(Cl)=NNc1ccc(OC(F)(F)F)cc1 ZINC000100333865 185712060 /nfs/dbraw/zinc/71/20/60/185712060.db2.gz SKBYAQZMOITROT-PXNMLYILSA-N 0 0 296.632 2.722 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1cc2c(c(Cl)c1)OCO2 ZINC000061891779 346685781 /nfs/dbraw/zinc/68/57/81/346685781.db2.gz YCZFPXNUDRAOCK-PWSUYJOCSA-N 0 0 278.739 2.851 10 30 CFEERN CC[C@H](Nc1snc(Cl)c1C#N)c1noc(C)n1 ZINC000080680119 347374195 /nfs/dbraw/zinc/37/41/95/347374195.db2.gz ABTMLKBABJLMNG-ZETCQYMHSA-N 0 0 283.744 2.923 10 30 CFEERN C=CCNC(=O)c1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000080972624 347391742 /nfs/dbraw/zinc/39/17/42/347391742.db2.gz NSHPKWJBNNWVIC-HIFRSBDPSA-N 0 0 285.391 2.766 10 30 CFEERN C[C@@H](CNc1ccc(C#N)cn1)Nc1ccccc1 ZINC000084927985 347476328 /nfs/dbraw/zinc/47/63/28/347476328.db2.gz CNUBPVNGQOCNRL-LBPRGKRZSA-N 0 0 252.321 2.866 10 30 CFEERN C[C@H](Nc1snc(Cl)c1C#N)[C@H]1CCCO1 ZINC000092605898 347634432 /nfs/dbraw/zinc/63/44/32/347634432.db2.gz KSCYKSIOCIWJPI-POYBYMJQSA-N 0 0 257.746 2.648 10 30 CFEERN N#Cc1c(Cl)nsc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000092666146 347639324 /nfs/dbraw/zinc/63/93/24/347639324.db2.gz YEOVKYWIGAUQQB-VHSXEESVSA-N 0 0 283.784 2.816 10 30 CFEERN CC[C@H](C)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000101154786 347714833 /nfs/dbraw/zinc/71/48/33/347714833.db2.gz HDXVNLIHACWOKE-QMMMGPOBSA-N 0 0 263.724 2.904 10 30 CFEERN COC(=O)c1ccc(-c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000130011031 347866657 /nfs/dbraw/zinc/86/66/57/347866657.db2.gz SCGAEHFRVXHIPA-UHFFFAOYSA-N 0 0 282.255 2.920 10 30 CFEERN C#C[C@@H](NC)c1cccc(Br)c1Cl ZINC000130250165 347868862 /nfs/dbraw/zinc/86/88/62/347868862.db2.gz INBFSVIQAQMHOQ-SECBINFHSA-N 0 0 258.546 2.996 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CCC(O)(C#C[C@H](O)c1ccc(SC)cc1)CC ZINC000138260029 347915646 /nfs/dbraw/zinc/91/56/46/347915646.db2.gz RUDKLXQGQIFXLR-AWEZNQCLSA-N 0 0 264.390 2.996 10 30 CFEERN C#Cc1cc(Nc2nc[nH]c3cc(=O)c(O)cc2-3)ccc1F ZINC000144873849 347942051 /nfs/dbraw/zinc/94/20/51/347942051.db2.gz GJTAKKZGTXQZEA-UHFFFAOYSA-N 0 0 295.273 2.905 10 30 CFEERN CCCC[C@@H](Nc1ccc(C#N)nn1)C(=O)OC(C)(C)C ZINC000159977183 348015207 /nfs/dbraw/zinc/01/52/07/348015207.db2.gz LGJHZNORGSPPEM-GFCCVEGCSA-N 0 0 290.367 2.661 10 30 CFEERN O=C1C=C(Cc2cncc(Br)c2)CC1 ZINC000161719275 348026503 /nfs/dbraw/zinc/02/65/03/348026503.db2.gz VWSKBDAYKGEEFZ-UHFFFAOYSA-N 0 0 252.111 2.676 10 30 CFEERN C#CC(C)(C)Nc1ncc(C)cc1Br ZINC000163459530 348033922 /nfs/dbraw/zinc/03/39/22/348033922.db2.gz JRNMTTWZDQDRAZ-UHFFFAOYSA-N 0 0 253.143 2.976 10 30 CFEERN COC(=O)[C@H](C)/N=C/c1ccc(C(F)(F)F)cc1 ZINC000196715647 348148719 /nfs/dbraw/zinc/14/87/19/348148719.db2.gz CWEGQRYFZTUHHO-LBBJYAOWSA-N 0 0 259.227 2.686 10 30 CFEERN 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348200802 /nfs/dbraw/zinc/20/08/02/348200802.db2.gz TYMXCQZTDYBOFG-QMMMGPOBSA-N 0 0 268.158 2.796 10 30 CFEERN CC[C@@H](C#N)Oc1cc(N)ccc1Br ZINC000230795485 348207165 /nfs/dbraw/zinc/20/71/65/348207165.db2.gz MRPUCJLQIOTPKH-QMMMGPOBSA-N 0 0 255.115 2.712 10 30 CFEERN N#Cc1ccc(SCCO)c(F)c1Br ZINC000231861751 348208888 /nfs/dbraw/zinc/20/88/88/348208888.db2.gz VMHPMPVSHYOJJG-UHFFFAOYSA-N 0 0 276.130 2.544 10 30 CFEERN C[C@@H](S)C(=O)Nc1cc(F)ccc1Br ZINC000232254198 348211437 /nfs/dbraw/zinc/21/14/37/348211437.db2.gz ZRMJMWJVGCPWHX-RXMQYKEDSA-N 0 0 278.146 2.845 10 30 CFEERN C#CCCC(=O)Nc1cccc(Br)c1 ZINC000232480977 348211904 /nfs/dbraw/zinc/21/19/04/348211904.db2.gz FATYJVCCEMYHSO-UHFFFAOYSA-N 0 0 252.111 2.801 10 30 CFEERN N#CCc1ncc(Br)cc1OC(F)(F)F ZINC000238525427 348246272 /nfs/dbraw/zinc/24/62/72/348246272.db2.gz SMZJAGGEVGAWCD-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1cc(OC(F)(F)F)cc(Br)n1 ZINC000238525625 348246447 /nfs/dbraw/zinc/24/64/47/348246447.db2.gz 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/nfs/dbraw/zinc/69/53/99/348695399.db2.gz NHHMQYCQTOOWEJ-CVEARBPZSA-N 0 0 282.343 2.864 10 30 CFEERN C[C@@H](C#N)NC(=O)N(C)c1ccc(C(F)(F)F)cc1 ZINC000584630137 348695537 /nfs/dbraw/zinc/69/55/37/348695537.db2.gz LRODTLIAFHVNBL-QMMMGPOBSA-N 0 0 271.242 2.763 10 30 CFEERN N#C[C@@H](c1cccnc1)[C@@H](CCO)c1cccc([N+](=O)[O-])c1 ZINC000584633660 348697080 /nfs/dbraw/zinc/69/70/80/348697080.db2.gz YRGITAYAIWMVDD-HOTGVXAUSA-N 0 0 297.314 2.763 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cncc(F)c1 ZINC000584633965 348697110 /nfs/dbraw/zinc/69/71/10/348697110.db2.gz TYGXPPFUODIBRC-HOTGVXAUSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@H](c1ccccc1)[C@H](CCO)c1ccc(F)nc1 ZINC000584633943 348697136 /nfs/dbraw/zinc/69/71/36/348697136.db2.gz RSMPMVLQLVDLLH-HUUCEWRRSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@H](c1cccnc1)[C@@H](CCO)c1cccc([N+](=O)[O-])c1 ZINC000584633662 348697180 /nfs/dbraw/zinc/69/71/80/348697180.db2.gz YRGITAYAIWMVDD-JKSUJKDBSA-N 0 0 297.314 2.763 10 30 CFEERN 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N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccncc2c1 ZINC000593504698 349285925 /nfs/dbraw/zinc/28/59/25/349285925.db2.gz VDMDQNRCYSDRJZ-HIFRSBDPSA-N 0 0 265.316 2.657 10 30 CFEERN C=CCCN(CC=C)S(=O)(=O)c1ccc(C)cc1 ZINC000090750578 180035390 /nfs/dbraw/zinc/03/53/90/180035390.db2.gz GFHSWQCNAFAFMO-UHFFFAOYSA-N 0 0 265.378 2.748 10 30 CFEERN N#Cc1cc(C(F)(F)F)c(OC(F)(F)F)cn1 ZINC000091252451 180114901 /nfs/dbraw/zinc/11/49/01/180114901.db2.gz XYFNPLHUMNYNKY-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN O=C1C=CC(c2ccccc2)(c2ccccc2)C[C@@H]1O ZINC000105340867 186052604 /nfs/dbraw/zinc/05/26/04/186052604.db2.gz CQQFHZIRACRPEG-KRWDZBQOSA-N 0 0 264.324 2.863 10 30 CFEERN CCOC(=O)C(Cl)=NNc1ccccc1CC ZINC000606206191 351260089 /nfs/dbraw/zinc/26/00/89/351260089.db2.gz GXKXYPKWLNYACL-UHFFFAOYSA-N 0 0 254.717 2.776 10 30 CFEERN CCOC(=O)C1(C=O)CC(Cc2ccc(F)cc2)C1 ZINC000606302096 351261193 /nfs/dbraw/zinc/26/11/93/351261193.db2.gz BMAUSCYJXADQSV-UHFFFAOYSA-N 0 0 264.296 2.527 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@H](O)C1 ZINC000609669634 351514986 /nfs/dbraw/zinc/51/49/86/351514986.db2.gz MHCVJQRRGHZLKR-UWVGGRQHSA-N 0 0 285.269 2.687 10 30 CFEERN CCC[C@H]1C[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000122151345 187017802 /nfs/dbraw/zinc/01/78/02/187017802.db2.gz HJZKHPMFCDLFQE-JOYOIKCWSA-N 0 0 264.275 2.755 10 30 CFEERN N#Cc1cccc([C@H]2CCN(CCO)c3ccccc32)c1 ZINC000616591154 352377054 /nfs/dbraw/zinc/37/70/54/352377054.db2.gz YUHZGYZDELCPCA-MRXNPFEDSA-N 0 0 278.355 2.893 10 30 CFEERN N#Cc1cccc([C@H]2CNc3ccccc3N2C(N)=O)c1 ZINC000616684974 352412858 /nfs/dbraw/zinc/41/28/58/352412858.db2.gz NQFFEUXYFXATSG-OAHLLOKOSA-N 0 0 278.315 2.610 10 30 CFEERN C=CCC(CC=C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000151226213 187953231 /nfs/dbraw/zinc/95/32/31/187953231.db2.gz SWIPBWWHQQARDH-LBPRGKRZSA-N 0 0 281.396 2.943 10 30 CFEERN CC(C)[C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000152860164 188049304 /nfs/dbraw/zinc/04/93/04/188049304.db2.gz RNRFVHCQTOVPSU-MRVPVSSYSA-N 0 0 252.264 2.611 10 30 CFEERN C=C(C)CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000156739039 188279333 /nfs/dbraw/zinc/27/93/33/188279333.db2.gz AVYDJPWXSJNBFA-UWVGGRQHSA-N 0 0 264.291 2.983 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000170807898 188693600 /nfs/dbraw/zinc/69/36/00/188693600.db2.gz AZBALGFPUWLBNB-DZGCQCFKSA-N 0 0 258.365 2.835 10 30 CFEERN N#Cc1nc2cc(F)c(N3CCCCCC3)cc2nc1N ZINC000001432437 283251594 /nfs/dbraw/zinc/25/15/94/283251594.db2.gz PPXCDJSRZQWRRZ-UHFFFAOYSA-N 0 0 285.326 2.603 10 30 CFEERN N#Cc1cc2c(F)c(Br)c(F)cc2[nH]c1=O ZINC000675068351 540664499 /nfs/dbraw/zinc/66/44/99/540664499.db2.gz XHTHPNVGPIJTFM-UHFFFAOYSA-N 0 0 285.047 2.853 10 30 CFEERN COc1cc(/C=C/C(=O)OC(C)(C)C)ccc1OCC#N ZINC000405994336 540724787 /nfs/dbraw/zinc/72/47/87/540724787.db2.gz UGIDFMDMVRWEMA-SOFGYWHQSA-N 0 0 289.331 2.952 10 30 CFEERN N#Cc1c(Cl)nsc1NC[C@H](O)C1CCCC1 ZINC000301284789 200963349 /nfs/dbraw/zinc/96/33/49/200963349.db2.gz MHEOTIAWQAOJDK-VIFPVBQESA-N 0 0 271.773 2.631 10 30 CFEERN COc1ccc(CNc2ccc(C#N)nc2)cc1C ZINC000301504782 201034599 /nfs/dbraw/zinc/03/45/99/201034599.db2.gz IIEPOWPXFYCHDB-UHFFFAOYSA-N 0 0 253.305 2.882 10 30 CFEERN CCc1nnc(N[C@@H]2CCC[C@@H](OC)C2)c(C#N)c1CC ZINC000301768909 201186569 /nfs/dbraw/zinc/18/65/69/201186569.db2.gz IZKSHSDMVVOYHY-VXGBXAGGSA-N 0 0 288.395 2.843 10 30 CFEERN N#Cc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000301943036 201270599 /nfs/dbraw/zinc/27/05/99/201270599.db2.gz VWKBWEJRYGXUDF-IUCAKERBSA-N 0 0 270.258 2.881 10 30 CFEERN CC=CC(=O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685959103 541473378 /nfs/dbraw/zinc/47/33/78/541473378.db2.gz KRFZSFRDTHBUMM-XIJCSBCJSA-N 0 0 251.326 2.601 10 30 CFEERN C/C=C/C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685959491 541473527 /nfs/dbraw/zinc/47/35/27/541473527.db2.gz YMJDUTYLKXYJDD-XIJCSBCJSA-N 0 0 253.342 2.825 10 30 CFEERN N#Cc1nc(NCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000236162123 189832669 /nfs/dbraw/zinc/83/26/69/189832669.db2.gz WJKQVZRQQYDQDW-UHFFFAOYSA-N 0 0 272.239 2.613 10 30 CFEERN C=C(C)C(=O)NCC(F)(F)C(F)(F)C(F)(F)F ZINC000002571958 371738580 /nfs/dbraw/zinc/73/85/80/371738580.db2.gz MIKFERZOWUQQSR-UHFFFAOYSA-N 0 0 267.144 2.512 10 30 CFEERN C#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc21 ZINC000013583684 372033634 /nfs/dbraw/zinc/03/36/34/372033634.db2.gz UASSHNIRIMIZTA-UHFFFAOYSA-N 0 0 251.241 2.887 10 30 in-vivo CFEERN CCC(C)(C)N=C(NC#N)Nc1c(C)cc(C)nc1C ZINC000026577363 372325877 /nfs/dbraw/zinc/32/58/77/372325877.db2.gz NZUWSPDEXXXPFP-UHFFFAOYSA-N 0 0 273.384 2.843 10 30 CFEERN N/N=C/c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000033724502 372499844 /nfs/dbraw/zinc/49/98/44/372499844.db2.gz YHDMMVDFWOROOI-RQZCQDPDSA-N 0 0 270.723 2.947 10 30 CFEERN CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C#N ZINC000034152891 372503871 /nfs/dbraw/zinc/50/38/71/372503871.db2.gz UWCIMORHYIYCOT-UHFFFAOYSA-N 0 0 275.695 2.574 10 30 CFEERN N#CC1(c2ccc(OC(F)F)cc2)CCOCC1 ZINC000034940470 372519658 /nfs/dbraw/zinc/51/96/58/372519658.db2.gz FITIVNDGTJOHRR-UHFFFAOYSA-N 0 0 253.248 2.860 10 30 CFEERN C=CCNc1ccc(I)cc1 ZINC000041571386 372850442 /nfs/dbraw/zinc/85/04/42/372850442.db2.gz ZHFXPMIKTMFRBM-UHFFFAOYSA-N 0 0 259.090 2.889 10 30 CFEERN C=CCN(Cc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000056512346 373564794 /nfs/dbraw/zinc/56/47/94/373564794.db2.gz JJAXPXDQUXIFCJ-HNNXBMFYSA-N 0 0 295.398 2.990 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1Cl ZINC000061888626 373735099 /nfs/dbraw/zinc/73/50/99/373735099.db2.gz UUFDTMZISQWTBK-KWQFWETISA-N 0 0 266.703 2.901 10 30 CFEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000061892180 373736540 /nfs/dbraw/zinc/73/65/40/373736540.db2.gz ZDXHAPGUTJKMAA-QWHCGFSZSA-N 0 0 259.309 2.685 10 30 CFEERN CC(C)(C)OC(=O)N1CCC(C[C@@H](F)C=O)CC1 ZINC000066339492 373926099 /nfs/dbraw/zinc/92/60/99/373926099.db2.gz MTEDBHASQVIZCT-LLVKDONJSA-N 0 0 259.321 2.561 10 30 CFEERN Clc1ccc(N=NCc2c[nH]c(-c3ccccc3)n2)nn1 ZINC000071789877 374224964 /nfs/dbraw/zinc/22/49/64/374224964.db2.gz YFPKKGPRVJWMLC-MFOYZWKCSA-N 0 0 298.737 2.966 10 30 CFEERN C#CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000073640134 374362542 /nfs/dbraw/zinc/36/25/42/374362542.db2.gz FKNVOPDAGRKBFS-UHFFFAOYSA-N 0 0 271.228 2.645 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc(N)cc2C)o1 ZINC000073640347 374362877 /nfs/dbraw/zinc/36/28/77/374362877.db2.gz CDAIOAQIPXVHKI-UHFFFAOYSA-N 0 0 255.273 2.627 10 30 CFEERN CN(CCC#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091676579 375057689 /nfs/dbraw/zinc/05/76/89/375057689.db2.gz FVILCJWDUYNDCR-CYBMUJFWSA-N 0 0 277.755 2.678 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CCCO ZINC000094335264 375352765 /nfs/dbraw/zinc/35/27/65/375352765.db2.gz IVEKGLPDPIORBO-NSHDSACASA-N 0 0 299.296 2.713 10 30 CFEERN O=C(OCc1ccccc1)N1CC(CCS)C1 ZINC000095079026 375408646 /nfs/dbraw/zinc/40/86/46/375408646.db2.gz ODACFXNNABJQGO-UHFFFAOYSA-N 0 0 251.351 2.575 10 30 CFEERN C=CCCS(=O)(=O)Nc1ccccc1Br ZINC000096659657 375490819 /nfs/dbraw/zinc/49/08/19/375490819.db2.gz OYFAHELKZTXICB-UHFFFAOYSA-N 0 0 290.182 2.767 10 30 CFEERN C=C(Br)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923287 375794770 /nfs/dbraw/zinc/79/47/70/375794770.db2.gz LRJYJOKRFYEKCK-LBPRGKRZSA-N 0 0 284.201 2.737 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(OCC#N)cc2)o1 ZINC000110629380 375831812 /nfs/dbraw/zinc/83/18/12/375831812.db2.gz NAOQITSVUXLXBJ-ZDUSSCGKSA-N 0 0 298.342 2.910 10 30 CFEERN N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000113886686 376039303 /nfs/dbraw/zinc/03/93/03/376039303.db2.gz XDBZMCCZZVINKI-HNNXBMFYSA-N 0 0 280.331 2.649 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@H](CCC)NC(=O)OC(C)(C)C ZINC000116856793 376210220 /nfs/dbraw/zinc/21/02/20/376210220.db2.gz SWAVSAUIHWFNMI-RYUDHWBXSA-N 0 0 284.400 2.761 10 30 CFEERN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1ccco1 ZINC000116291186 376178716 /nfs/dbraw/zinc/17/87/16/376178716.db2.gz FGVMTMQMUJWYKT-AWEZNQCLSA-N 0 0 276.380 2.841 10 30 CFEERN COc1cc(C#N)ccc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000120834381 376704129 /nfs/dbraw/zinc/70/41/29/376704129.db2.gz RCLSFTAFHCFTGJ-INIZCTEOSA-N 0 0 296.374 2.637 10 30 CFEERN C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000130311023 377536958 /nfs/dbraw/zinc/53/69/58/377536958.db2.gz RPHFMXXSIHMGJA-DZGCQCFKSA-N 0 0 259.349 2.769 10 30 CFEERN C#C[C@H](C)Nc1ccc(I)cc1 ZINC000135165173 378094525 /nfs/dbraw/zinc/09/45/25/378094525.db2.gz ASRYXCOICOOVNZ-QMMMGPOBSA-N 0 0 271.101 2.725 10 30 CFEERN C=CCC(CC=C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000150777485 378271875 /nfs/dbraw/zinc/27/18/75/378271875.db2.gz RWMAEYKYZQVBOE-UHFFFAOYSA-N 0 0 287.407 2.890 10 30 CFEERN C=CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000145409596 378249924 /nfs/dbraw/zinc/24/99/24/378249924.db2.gz MZQDMBLLRIEPTM-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN CCOc1c(C(F)(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000148299363 378255770 /nfs/dbraw/zinc/25/57/70/378255770.db2.gz OKFPCRSDMRJYHN-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[C@H](C)O1 ZINC000152707489 378438939 /nfs/dbraw/zinc/43/89/39/378438939.db2.gz XHIGKEJSUSRGNM-GXTWGEPZSA-N 0 0 266.385 2.732 10 30 CFEERN Cc1cc(NCCc2cn3c(n2)CCCC3)c(C#N)c(C)n1 ZINC000160479360 378776039 /nfs/dbraw/zinc/77/60/39/378776039.db2.gz LZCDIJWEQBWJPS-UHFFFAOYSA-N 0 0 295.390 2.758 10 30 CFEERN Cc1cc(N[C@@H]2CCOC(C)(C)C2)c(C#N)c(C)n1 ZINC000160721916 378792769 /nfs/dbraw/zinc/79/27/69/378792769.db2.gz FJFITGHSBIKFES-GFCCVEGCSA-N 0 0 259.353 2.940 10 30 CFEERN Cc1ccc(C#N)c(N2CC[C@H](CNc3ccccn3)C2)n1 ZINC000161020529 378816075 /nfs/dbraw/zinc/81/60/75/378816075.db2.gz FPFYGYKPRCYYLJ-CQSZACIVSA-N 0 0 293.374 2.595 10 30 CFEERN C=C(C)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000161151019 378826670 /nfs/dbraw/zinc/82/66/70/378826670.db2.gz JBABDCMMUWILRB-HIFRSBDPSA-N 0 0 288.391 2.523 10 30 CFEERN C[C@H](NC(=O)NCCCCC#N)c1cccs1 ZINC000171732115 379387520 /nfs/dbraw/zinc/38/75/20/379387520.db2.gz MORGBAZKKJWOFX-JTQLQIEISA-N 0 0 251.355 2.802 10 30 CFEERN Cc1ccccc1[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC000175086139 379994667 /nfs/dbraw/zinc/99/46/67/379994667.db2.gz YTAQOKTUAGIISM-NSHDSACASA-N 0 0 253.305 2.686 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000336080365 380262188 /nfs/dbraw/zinc/26/21/88/380262188.db2.gz PZQNTWUDERNERG-UWVGGRQHSA-N 0 0 287.344 2.825 10 30 CFEERN N#Cc1ccccc1-c1ccc(CSC[C@@H](O)CO)cc1 ZINC000177440395 380342384 /nfs/dbraw/zinc/34/23/84/380342384.db2.gz WIQOQRDNFSMFKM-INIZCTEOSA-N 0 0 299.395 2.812 10 30 CFEERN C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000180267020 380641323 /nfs/dbraw/zinc/64/13/23/380641323.db2.gz LRQBBNKLRGMJTE-LBPRGKRZSA-N 0 0 286.400 2.819 10 30 CFEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C#N)C1 ZINC000181845904 380914453 /nfs/dbraw/zinc/91/44/53/380914453.db2.gz UNZZSYSCJDSNPI-MNOVXSKESA-N 0 0 296.367 2.525 10 30 CFEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)OC(C)(C)C#N)C1 ZINC000181845860 380914556 /nfs/dbraw/zinc/91/45/56/380914556.db2.gz UNZZSYSCJDSNPI-WDEREUQCSA-N 0 0 296.367 2.525 10 30 CFEERN Cc1nn(C)c(Cl)c1/C=C/C(=O)O/N=C/c1ccco1 ZINC000000159962 169558563 /nfs/dbraw/zinc/55/85/63/169558563.db2.gz UVNYQNOKUHEFLJ-DQICWPNBSA-N 0 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170148308 /nfs/dbraw/zinc/14/83/08/170148308.db2.gz FDRDVHRYSVUMRP-UHFFFAOYSA-N 0 0 293.175 2.528 10 30 CFEERN CC(C)c1ccc(CN=Nc2ccc3nncn3n2)cc1 ZINC000007009305 170262179 /nfs/dbraw/zinc/26/21/79/170262179.db2.gz NMVPXGVUJYYAEB-CXUHLZMHSA-N 0 0 280.335 2.694 10 30 CFEERN C=CCNC(=S)Nc1ccc(OCCOCC)cc1 ZINC000014569235 170638001 /nfs/dbraw/zinc/63/80/01/170638001.db2.gz XRTPBHOJMJWZFW-UHFFFAOYSA-N 0 0 280.393 2.574 10 30 CFEERN N#Cc1cccc(Oc2cc3c(cc2N)OCCO3)c1 ZINC000019869288 170900104 /nfs/dbraw/zinc/90/01/04/170900104.db2.gz WMWBITFEHAAFOZ-UHFFFAOYSA-N 0 0 268.272 2.704 10 30 CFEERN N#CCOc1ccc(NCc2ccc(O)cc2)cc1 ZINC000020126376 171010374 /nfs/dbraw/zinc/01/03/74/171010374.db2.gz SHZTWAAMDLQCDH-UHFFFAOYSA-N 0 0 254.289 2.907 10 30 CFEERN N#C[C@H](NC1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000020175593 171041830 /nfs/dbraw/zinc/04/18/30/171041830.db2.gz YLSOCXXSVIOTPE-AWEZNQCLSA-N 0 0 272.348 2.945 10 30 CFEERN NC(=S)N/N=C\c1cccc(Oc2ccccc2)c1 ZINC000020282688 171133088 /nfs/dbraw/zinc/13/30/88/171133088.db2.gz DHPYJAPCDSJVSO-YBEGLDIGSA-N 0 0 271.345 2.646 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020314488 171145507 /nfs/dbraw/zinc/14/55/07/171145507.db2.gz PYGTYUMKVPWLEV-VIFPVBQESA-N 0 0 272.270 2.808 10 30 CFEERN C#CCNC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366588 171165400 /nfs/dbraw/zinc/16/54/00/171165400.db2.gz NKPRDCCKPMUGNN-QMMMGPOBSA-N 0 0 271.147 2.543 10 30 CFEERN CCCN[C@@H](C#N)c1cc(Br)c(O)c(OC)c1 ZINC000020380099 171172167 /nfs/dbraw/zinc/17/21/67/171172167.db2.gz OVCKYJQBYUHGBD-JTQLQIEISA-N 0 0 299.168 2.728 10 30 CFEERN COc1cc(C#N)ccc1Oc1ccc(CO)cc1 ZINC000020435297 171201586 /nfs/dbraw/zinc/20/15/86/171201586.db2.gz LEXNFWOFSRGRKU-UHFFFAOYSA-N 0 0 255.273 2.851 10 30 CFEERN CCCCCCOCc1ccccc1/C(N)=N/O ZINC000020516449 171232435 /nfs/dbraw/zinc/23/24/35/171232435.db2.gz DJEMZORTUFTHFZ-UHFFFAOYSA-N 0 0 250.342 2.878 10 30 CFEERN C=CCn1c(SCCOC)nnc1C(C)(C)C ZINC000020839267 171275478 /nfs/dbraw/zinc/27/54/78/171275478.db2.gz OVIHVSKZYMCNKI-UHFFFAOYSA-N 0 0 255.387 2.500 10 30 CFEERN COCc1nn(-c2ccc(C)cc2)c(Cl)c1C#N ZINC000021949211 171338753 /nfs/dbraw/zinc/33/87/53/171338753.db2.gz VPOUNHYXOJDECE-UHFFFAOYSA-N 0 0 261.712 2.852 10 30 CFEERN CC[C@H]1CSC(Nc2ccc3c(c2)OCO3)=N1 ZINC000035287065 172104871 /nfs/dbraw/zinc/10/48/71/172104871.db2.gz RVRSXNRPUDVXAZ-QMMMGPOBSA-N 0 0 250.323 2.518 10 30 CFEERN CN(CCC#N)c1ccc2scnc2c1[N+](=O)[O-] ZINC000035344268 172136652 /nfs/dbraw/zinc/13/66/52/172136652.db2.gz ALHVDKGIYKNNBE-UHFFFAOYSA-N 0 0 262.294 2.554 10 30 CFEERN CC[C@@H](C/C(N)=N/O)Sc1cc(F)ccc1F ZINC000035676300 172346726 /nfs/dbraw/zinc/34/67/26/172346726.db2.gz KMKDQVFAEVECSS-QMMMGPOBSA-N 0 0 260.309 2.972 10 30 CFEERN N#Cc1ccc(F)c(CSc2ccc(N)cn2)c1 ZINC000037191823 173021110 /nfs/dbraw/zinc/02/11/10/173021110.db2.gz MZSQVRRSPZGMII-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN CC[C@@H]1CCCN(CC(=O)c2ccc(C#N)cc2)C1 ZINC000037339569 173139996 /nfs/dbraw/zinc/13/99/96/173139996.db2.gz QRRFRJWQMGZMJJ-CYBMUJFWSA-N 0 0 256.349 2.863 10 30 CFEERN Cc1ccccc1C(=O)Nc1ccc(C#CCO)cc1F ZINC000037548860 173266285 /nfs/dbraw/zinc/26/62/85/173266285.db2.gz HEQMYHVTOWZDJN-UHFFFAOYSA-N 0 0 283.302 2.730 10 30 CFEERN CCOC(=O)C(=CNc1cccc(Cl)c1)C(C)=O ZINC000037628659 173579294 /nfs/dbraw/zinc/57/92/94/173579294.db2.gz QCPAMNURMFNXIL-XYOKQWHBSA-N 0 0 267.712 2.788 10 30 CFEERN C[C@@H](C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1 ZINC000038053473 174064986 /nfs/dbraw/zinc/06/49/86/174064986.db2.gz GRKDTCCIRKFSTI-VIFPVBQESA-N 0 0 274.711 2.608 10 30 CFEERN Cc1c(Oc2cc(C#N)ccn2)cccc1[N+](=O)[O-] ZINC000038081506 174090669 /nfs/dbraw/zinc/09/06/69/174090669.db2.gz MWGVRUCMLSESBD-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN C=CCN(CC=C)C(=O)c1cc(Cl)ccc1N ZINC000038302967 174138768 /nfs/dbraw/zinc/13/87/68/174138768.db2.gz OBUKNIPPIRYZIC-UHFFFAOYSA-N 0 0 250.729 2.736 10 30 CFEERN CC(=NOC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000040166271 174198309 /nfs/dbraw/zinc/19/83/09/174198309.db2.gz NFKXMKIMNVFDNC-RIYZIHGNSA-N 0 0 263.253 2.929 10 30 CFEERN CCN[C@](C)(C#N)c1ccccc1Br ZINC000040177299 174202580 /nfs/dbraw/zinc/20/25/80/174202580.db2.gz LLQJMDCFYZLUMS-LLVKDONJSA-N 0 0 253.143 2.797 10 30 CFEERN C=CCn1c(CNC(=O)c2cccnc2)nc2ccccc21 ZINC000040180916 174202958 /nfs/dbraw/zinc/20/29/58/174202958.db2.gz QYLZEFQRLHCJML-UHFFFAOYSA-N 0 0 292.342 2.547 10 30 CFEERN N#C[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040215131 174204304 /nfs/dbraw/zinc/20/43/04/174204304.db2.gz MWIIXBLQZDOCSI-AWEZNQCLSA-N 0 0 254.264 2.820 10 30 CFEERN N#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2)c1 ZINC000040458402 174268245 /nfs/dbraw/zinc/26/82/45/174268245.db2.gz WYGJMXMCQGOZDU-HNNXBMFYSA-N 0 0 263.300 2.534 10 30 CFEERN C=CCNc1ncnc(NCc2ccc(Cl)cc2)c1N ZINC000040709029 174380713 /nfs/dbraw/zinc/38/07/13/174380713.db2.gz OFNBXXCJWQOIQE-UHFFFAOYSA-N 0 0 289.770 2.922 10 30 CFEERN COC(=O)c1cc(Oc2cccc(F)c2C#N)ccc1N ZINC000041081427 174474640 /nfs/dbraw/zinc/47/46/40/174474640.db2.gz AFIXRXGSAONUBE-UHFFFAOYSA-N 0 0 286.262 2.858 10 30 CFEERN C=C(Br)CN1c2c(cc(C)cc2C)C(=O)C1=O ZINC000042074608 174635861 /nfs/dbraw/zinc/63/58/61/174635861.db2.gz VNPUQBGSUQZQEA-UHFFFAOYSA-N 0 0 294.148 2.741 10 30 CFEERN CC(C)CN(C(=O)c1ccccc1C#CCCO)C(C)C ZINC000042597898 174815245 /nfs/dbraw/zinc/81/52/45/174815245.db2.gz DZVNPJWCSHJTES-UHFFFAOYSA-N 0 0 287.403 2.927 10 30 CFEERN CC(C)N(C[C@@H](O)c1ccc(C#N)cc1)CC(F)(F)F ZINC000042765405 174868831 /nfs/dbraw/zinc/86/88/31/174868831.db2.gz ILKYYSMRSZMWFT-CYBMUJFWSA-N 0 0 286.297 2.864 10 30 CFEERN Cc1ccc(C#N)c(-n2ccnc2-c2cccc(N)c2)n1 ZINC000043396247 175036141 /nfs/dbraw/zinc/03/61/41/175036141.db2.gz FDKNILDOTYXOEY-UHFFFAOYSA-N 0 0 275.315 2.697 10 30 CFEERN Cc1ccc(Oc2nc(C)ccc2/C(N)=N/O)cc1 ZINC000043400398 175036671 /nfs/dbraw/zinc/03/66/71/175036671.db2.gz OLURQIHNQFSFTM-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN COc1ccccc1COc1cccc(C#CCO)c1 ZINC000043457876 175050433 /nfs/dbraw/zinc/05/04/33/175050433.db2.gz JBJCILANTFIWHY-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN 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283.306 2.833 10 30 CFEERN CCC1CCC(NC(=O)NCCCCC#N)CC1 ZINC000171739475 329079874 /nfs/dbraw/zinc/07/98/74/329079874.db2.gz XLBJKXAVPXPJJX-UHFFFAOYSA-N 0 0 251.374 2.948 10 30 CFEERN CCCCCCCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173714669 329147674 /nfs/dbraw/zinc/14/76/74/329147674.db2.gz BHZNYJONRQMESH-CQSZACIVSA-N 0 0 280.416 2.847 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000062708999 329345707 /nfs/dbraw/zinc/34/57/07/329345707.db2.gz WZPUFRFMKYVASD-JOYOIKCWSA-N 0 0 254.255 2.886 10 30 CFEERN C=CCC1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCC1 ZINC000187863950 329361112 /nfs/dbraw/zinc/36/11/12/329361112.db2.gz NANHYXSWPVIYBJ-UHFFFAOYSA-N 0 0 273.380 2.862 10 30 CFEERN C=CCN(CC=C)C(=O)N[C@H]1COc2ccccc21 ZINC000060586513 329679838 /nfs/dbraw/zinc/67/98/38/329679838.db2.gz QHHXSGWHTAODDJ-ZDUSSCGKSA-N 0 0 258.321 2.504 10 30 CFEERN C=CCN(C)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000119329310 330372909 /nfs/dbraw/zinc/37/29/09/330372909.db2.gz RXPITBHEIJSVIS-CYBMUJFWSA-N 0 0 277.324 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ODCCRPCKZXBJFB-GXSJLCMTSA-N 0 0 250.729 2.827 10 30 CFEERN CC#CCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000135951442 334141732 /nfs/dbraw/zinc/14/17/32/334141732.db2.gz AKHQHHKRGCDBHC-WFASDCNBSA-N 0 0 256.349 2.948 10 30 CFEERN Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)C#N)C2)n1 ZINC000182871988 335848259 /nfs/dbraw/zinc/84/82/59/335848259.db2.gz XZBGUEDUJNBXAN-JQWIXIFHSA-N 0 0 292.408 2.500 10 30 CFEERN C[C@]1(c2cc(Br)ccc2F)O[C@H]1C#N ZINC000306899349 574277203 /nfs/dbraw/zinc/27/72/03/574277203.db2.gz DHMGJHHDBPNTLW-VHSXEESVSA-N 0 0 256.074 2.726 10 30 CFEERN CCCC[C@H](C)NC(=O)c1cccc(C#CCCO)c1 ZINC000050890974 521146298 /nfs/dbraw/zinc/14/62/98/521146298.db2.gz QBKXQNUTTOHDBA-AWEZNQCLSA-N 0 0 273.376 2.729 10 30 CFEERN CCCc1cc(Oc2ccc(N)cc2C#N)ncn1 ZINC000048786375 521384109 /nfs/dbraw/zinc/38/41/09/521384109.db2.gz YVZYVSNFZYALNT-UHFFFAOYSA-N 0 0 254.293 2.675 10 30 CFEERN C=C(Br)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925942 518581316 /nfs/dbraw/zinc/58/13/16/518581316.db2.gz FKVHUJSWAFVTSM-SNVBAGLBSA-N 0 0 276.174 2.614 10 30 CFEERN CC(C)(C)CCOc1ccc(F)cc1C#CCO ZINC000049256098 518656301 /nfs/dbraw/zinc/65/63/01/518656301.db2.gz XRNSCRFVWQITLL-UHFFFAOYSA-N 0 0 250.313 2.985 10 30 CFEERN C=CCN[C@@H](C(=O)OCC)c1ccc(CC)s1 ZINC000051962393 518959808 /nfs/dbraw/zinc/95/98/08/518959808.db2.gz DGEXRFVJOHRSCI-GFCCVEGCSA-N 0 0 253.367 2.690 10 30 CFEERN CC#CC[C@@H](O)Cc1ccc(Br)cc1 ZINC000051664710 519346653 /nfs/dbraw/zinc/34/66/53/519346653.db2.gz XKFKDQNBBUKMJZ-GFCCVEGCSA-N 0 0 253.139 2.766 10 30 CFEERN CCC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230337024 519856813 /nfs/dbraw/zinc/85/68/13/519856813.db2.gz HWBGFVPOBWHHII-UHFFFAOYSA-N 0 0 298.433 2.867 10 30 CFEERN CCCNC(=O)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049223696 519888681 /nfs/dbraw/zinc/88/86/81/519888681.db2.gz LWKRVZZMQRDSGN-SECBINFHSA-N 0 0 299.296 2.904 10 30 CFEERN CCNc1ccnc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000050728348 520348553 /nfs/dbraw/zinc/34/85/53/520348553.db2.gz PMFBPAYJXUNXFB-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CC1(C)CCN(CC(=O)Nc2ccccc2C#N)CC1 ZINC000061803914 520378680 /nfs/dbraw/zinc/37/86/80/520378680.db2.gz AMCQCYCVFXKNGJ-UHFFFAOYSA-N 0 0 271.364 2.619 10 30 CFEERN CCOC(=O)CN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000049608252 520748553 /nfs/dbraw/zinc/74/85/53/520748553.db2.gz DOIPRNQKACCNGQ-UHFFFAOYSA-N 0 0 286.253 2.576 10 30 CFEERN CCC[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000051017899 520967193 /nfs/dbraw/zinc/96/71/93/520967193.db2.gz MCDCICMXSLWMIM-SECBINFHSA-N 0 0 252.264 2.521 10 30 CFEERN CCOC(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691811 520994220 /nfs/dbraw/zinc/99/42/20/520994220.db2.gz ONPSLCNWNQRIHI-UHFFFAOYSA-N 0 0 267.712 2.642 10 30 CFEERN CCCC[C@@H](C)NC(=O)c1ccc(F)cc1C#CCCO ZINC000050890961 521005705 /nfs/dbraw/zinc/00/57/05/521005705.db2.gz ACPSFPGSLOITCV-CYBMUJFWSA-N 0 0 291.366 2.868 10 30 CFEERN CCCn1cc(N)cc1C(=O)Nc1ccc(CC#N)cc1 ZINC000051600734 521653888 /nfs/dbraw/zinc/65/38/88/521653888.db2.gz GMZLXZRRQXQKGO-UHFFFAOYSA-N 0 0 282.347 2.799 10 30 CFEERN CCCn1cc(N)cc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000051634688 521653978 /nfs/dbraw/zinc/65/39/78/521653978.db2.gz UNTRVVSBLHKQSM-UHFFFAOYSA-N 0 0 286.310 2.743 10 30 CFEERN CCCn1ccnc(N(CCC#N)c2ccccc2)c1=O ZINC000061760128 521659475 /nfs/dbraw/zinc/65/94/75/521659475.db2.gz HUVJSVGVGDAANW-UHFFFAOYSA-N 0 0 282.347 2.705 10 30 CFEERN CCCN(c1ccc(Cl)cc1/C(N)=N/O)C1CC1 ZINC000052860526 521697223 /nfs/dbraw/zinc/69/72/23/521697223.db2.gz VSUPDMHKTHIBLW-UHFFFAOYSA-N 0 0 267.760 2.813 10 30 CFEERN CCSCc1noc(-c2ccc(C#N)s2)n1 ZINC000230998535 521719921 /nfs/dbraw/zinc/71/99/21/521719921.db2.gz GYMIVQLQSAXXNO-UHFFFAOYSA-N 0 0 251.336 2.923 10 30 CFEERN COC(=O)c1cc(N)ccc1Nc1cc(C#N)ccc1C ZINC000050436724 521873583 /nfs/dbraw/zinc/87/35/83/521873583.db2.gz GHDGPXBKDLBESA-UHFFFAOYSA-N 0 0 281.315 2.979 10 30 CFEERN COC(=O)c1cc(Oc2ccccc2C#N)c(F)cc1N ZINC000050034687 521905152 /nfs/dbraw/zinc/90/51/52/521905152.db2.gz FOVLVVFIFDUGCX-UHFFFAOYSA-N 0 0 286.262 2.858 10 30 CFEERN CC[C@@H](C)NC(=O)CCNc1cc(C)ccc1C#N ZINC000051579350 522156247 /nfs/dbraw/zinc/15/62/47/522156247.db2.gz IKIVJTBDWMWJRT-GFCCVEGCSA-N 0 0 259.353 2.583 10 30 CFEERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(C#N)ccc1C ZINC000050430323 522194356 /nfs/dbraw/zinc/19/43/56/522194356.db2.gz FCKMTTYJWGXHPU-VXGBXAGGSA-N 0 0 259.353 2.582 10 30 CFEERN COC(=O)c1ccccc1N(C)Cc1ccccc1C#N ZINC000049854975 522266376 /nfs/dbraw/zinc/26/63/76/522266376.db2.gz SEZXQFGUFURJEN-UHFFFAOYSA-N 0 0 280.327 2.981 10 30 CFEERN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(F)cc1C#CCCO ZINC000049105405 522293511 /nfs/dbraw/zinc/29/35/11/522293511.db2.gz XOABCYINSSVSON-CHWSQXEVSA-N 0 0 291.366 2.724 10 30 CFEERN CC[C@@H](C/C(N)=N/O)Sc1nc2cc(C)ccc2[nH]1 ZINC000061440295 522463981 /nfs/dbraw/zinc/46/39/81/522463981.db2.gz JMEHMBGPDMFJIK-VIFPVBQESA-N 0 0 278.381 2.879 10 30 CFEERN CC[C@@H](CC#N)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000054183879 522464036 /nfs/dbraw/zinc/46/40/36/522464036.db2.gz WITQBWQZAUQEJC-VIFPVBQESA-N 0 0 269.251 2.655 10 30 CFEERN COc1cc(CN[C@@H](C)c2ncc(C)o2)ccc1C#N ZINC000231742358 522476398 /nfs/dbraw/zinc/47/63/98/522476398.db2.gz IVQJDKYUDBLVPF-NSHDSACASA-N 0 0 271.320 2.714 10 30 CFEERN COc1cc(CO)cc(Cl)c1OCCCCC#N ZINC000049578715 522497713 /nfs/dbraw/zinc/49/77/13/522497713.db2.gz WNQOSMDVQQQKIQ-UHFFFAOYSA-N 0 0 269.728 2.914 10 30 CFEERN CNc1ncc(C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000050728361 522700962 /nfs/dbraw/zinc/70/09/62/522700962.db2.gz NRKPABIXXJWDON-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CC[C@@H](NC(=O)c1ccccc1C#CCCO)C(C)C ZINC000049148479 522793654 /nfs/dbraw/zinc/79/36/54/522793654.db2.gz JBCMAZYYRZIHRZ-MRXNPFEDSA-N 0 0 273.376 2.585 10 30 CFEERN COC(=O)CCCN(C)c1ccc(Cl)cc1C#N ZINC000052859324 523009482 /nfs/dbraw/zinc/00/94/82/523009482.db2.gz RMNDJVHOSXRECL-UHFFFAOYSA-N 0 0 266.728 2.601 10 30 CFEERN COc1ccc(C#CCO)cc1COCCC(C)C ZINC000049620654 523519624 /nfs/dbraw/zinc/51/96/24/523519624.db2.gz ZATULALOZKRDGP-UHFFFAOYSA-N 0 0 262.349 2.602 10 30 CFEERN COc1ccc(C#CCO)cc1NC(=O)C1CCCCC1 ZINC000049589052 523520704 /nfs/dbraw/zinc/52/07/04/523520704.db2.gz OXSQIXCHBLFCAQ-UHFFFAOYSA-N 0 0 287.359 2.558 10 30 CFEERN CN(Cc1cscn1)c1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061856075 523539675 /nfs/dbraw/zinc/53/96/75/523539675.db2.gz BEBOHURTCMHNMM-UHFFFAOYSA-N 0 0 296.783 2.527 10 30 CFEERN CCc1c(C)nn(Cc2ccccc2C#CCCO)c1C ZINC000049619625 523715746 /nfs/dbraw/zinc/71/57/46/523715746.db2.gz OMTGYGSJXGXIFJ-UHFFFAOYSA-N 0 0 282.387 2.845 10 30 CFEERN CC[C@H](C)C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691598 523837687 /nfs/dbraw/zinc/83/76/87/523837687.db2.gz JNIHOOMYTLQWCP-JTQLQIEISA-N 0 0 265.740 2.668 10 30 CFEERN COC(=O)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049361442 523886179 /nfs/dbraw/zinc/88/61/79/523886179.db2.gz UFJSMWZGTFTIBK-ZETCQYMHSA-N 0 0 272.226 2.550 10 30 CFEERN COc1ccc(COc2ccccc2C)cc1C#CCO ZINC000049620360 524121069 /nfs/dbraw/zinc/12/10/69/524121069.db2.gz GKLLIGAQOPLDEH-UHFFFAOYSA-N 0 0 282.339 2.926 10 30 CFEERN Cc1cccc(CSCCC(=O)N(C)CCC#N)c1 ZINC000054965700 524458069 /nfs/dbraw/zinc/45/80/69/524458069.db2.gz FEQHJLGRFRWZNA-UHFFFAOYSA-N 0 0 276.405 2.990 10 30 CFEERN COc1ccccc1OCc1ccc(F)c(C#CCO)c1 ZINC000049620507 524686290 /nfs/dbraw/zinc/68/62/90/524686290.db2.gz OWYXNHNSLLOQGO-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN COc1ccc(Nc2ccnc(C#N)c2)cc1OC ZINC000061814808 524716475 /nfs/dbraw/zinc/71/64/75/524716475.db2.gz BSLAJXKHLRCMQQ-UHFFFAOYSA-N 0 0 255.277 2.714 10 30 CFEERN C[C@H](NC(=O)c1ccco1)c1ccc(C#CCCO)cc1 ZINC000049589455 525247151 /nfs/dbraw/zinc/24/71/51/525247151.db2.gz BKKUXAHVEUYLNI-ZDUSSCGKSA-N 0 0 283.327 2.505 10 30 CFEERN C[C@@H](NC(=O)c1cccs1)c1cccc(C#CCCO)c1 ZINC000049589656 525360798 /nfs/dbraw/zinc/36/07/98/525360798.db2.gz LSBLFHXQVXTMRB-CYBMUJFWSA-N 0 0 299.395 2.973 10 30 CFEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1cccs1 ZINC000230335049 525575013 /nfs/dbraw/zinc/57/50/13/525575013.db2.gz SKCWWXJUDPTKHY-MRVPVSSYSA-N 0 0 298.414 2.721 10 30 CFEERN C[C@@H](Nc1cc(Cl)ccc1C#N)c1nncn1C ZINC000062785564 525697758 /nfs/dbraw/zinc/69/77/58/525697758.db2.gz PCMJHMUIDWAMCY-MRVPVSSYSA-N 0 0 261.716 2.513 10 30 CFEERN Cc1ccsc1C(=O)N[C@H](C)c1cccc(C#CCO)c1 ZINC000049588974 525824794 /nfs/dbraw/zinc/82/47/94/525824794.db2.gz BTXMLOJIIPZKNK-CYBMUJFWSA-N 0 0 299.395 2.891 10 30 CFEERN Cc1ccc(C#N)cc1NS(=O)(=O)Cc1ccccc1 ZINC000050436343 526006228 /nfs/dbraw/zinc/00/62/28/526006228.db2.gz JFLMLHVNAMMUPX-UHFFFAOYSA-N 0 0 286.356 2.809 10 30 CFEERN Cc1ccc(C#N)cc1Nc1cc2c(cc1N)OCCO2 ZINC000050429392 526008811 /nfs/dbraw/zinc/00/88/11/526008811.db2.gz PVXYLZPLNOOYCH-UHFFFAOYSA-N 0 0 281.315 2.964 10 30 CFEERN Cc1cnc(Sc2ccc(Cl)cc2/C(N)=N/O)nc1 ZINC000052860925 526103255 /nfs/dbraw/zinc/10/32/55/526103255.db2.gz SCTAUMNFPFDFBW-UHFFFAOYSA-N 0 0 294.767 2.684 10 30 CFEERN COc1cccc(N(C)c2nnc(C)c(C)c2C#N)c1 ZINC000049972654 526134681 /nfs/dbraw/zinc/13/46/81/526134681.db2.gz UKRDRLYJILTVPW-UHFFFAOYSA-N 0 0 268.320 2.742 10 30 CFEERN Cc1ccc(C(=O)NCc2ccc(C#CCCO)cc2)s1 ZINC000049589160 526184298 /nfs/dbraw/zinc/18/42/98/526184298.db2.gz YBPPCQXPWAXAIW-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN Cc1ccc2[nH]c(SC[C@H](C#N)NC(C)C)nc2c1 ZINC000061440768 526255438 /nfs/dbraw/zinc/25/54/38/526255438.db2.gz RFOOKFUWEXRVBS-NSHDSACASA-N 0 0 274.393 2.854 10 30 CFEERN Cc1nn(Cc2cccc(C#CCCO)c2)c(C)c1Cl ZINC000050587923 526292618 /nfs/dbraw/zinc/29/26/18/526292618.db2.gz HCPMYAIGNHGFKQ-UHFFFAOYSA-N 0 0 288.778 2.936 10 30 CFEERN Cc1nn(Cc2ccccc2C#CCCO)c(C)c1C ZINC000049619555 526295655 /nfs/dbraw/zinc/29/56/55/526295655.db2.gz PLAJDICOVOBULW-UHFFFAOYSA-N 0 0 268.360 2.591 10 30 CFEERN N#CCCN(Cc1cccnc1)Cc1ccc(N)cc1F ZINC000069400355 526457570 /nfs/dbraw/zinc/45/75/70/526457570.db2.gz HZALLEPRHOGACF-UHFFFAOYSA-N 0 0 284.338 2.719 10 30 CFEERN N#CCc1nc2ccccc2n1Cc1ccc(F)cc1N ZINC000069400061 526487732 /nfs/dbraw/zinc/48/77/32/526487732.db2.gz ZZRMQUPMVUHQKQ-UHFFFAOYSA-N 0 0 280.306 2.872 10 30 CFEERN N#C[C@@H](C(=O)C1CCOCC1)c1ccccc1Cl ZINC000061672490 526490383 /nfs/dbraw/zinc/49/03/83/526490383.db2.gz CARKAPLLXCSCQT-GFCCVEGCSA-N 0 0 263.724 2.943 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000069273780 526523980 /nfs/dbraw/zinc/52/39/80/526523980.db2.gz NJFSNJBJKQKJMN-NSHDSACASA-N 0 0 276.311 2.985 10 30 CFEERN Cc1nnc(Sc2cccc(Cl)c2C#N)[nH]1 ZINC000052909238 526532783 /nfs/dbraw/zinc/53/27/83/526532783.db2.gz FRAKMGUENIHSGE-UHFFFAOYSA-N 0 0 250.714 2.789 10 30 CFEERN N#Cc1cc2c(nc1Sc1ccncc1N)CCC2 ZINC000050472024 526580977 /nfs/dbraw/zinc/58/09/77/526580977.db2.gz NDHQCIYHXRDPOO-UHFFFAOYSA-N 0 0 268.345 2.570 10 30 CFEERN N#Cc1ccc(N2[C@@H]3CC[C@H]2CC(=O)C3)cc1Cl ZINC000054603201 526647402 /nfs/dbraw/zinc/64/74/02/526647402.db2.gz QXKBOKRQMJVEDL-PHIMTYICSA-N 0 0 260.724 2.912 10 30 CFEERN N#Cc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058514734 526656236 /nfs/dbraw/zinc/65/62/36/526656236.db2.gz KWLZOSBURREIKN-AWEZNQCLSA-N 0 0 279.299 2.813 10 30 CFEERN N#Cc1ccc(OCCn2ncc3ccccc32)cc1 ZINC000050525865 526676193 /nfs/dbraw/zinc/67/61/93/526676193.db2.gz VXAMBRCPICMLCB-UHFFFAOYSA-N 0 0 263.300 2.987 10 30 CFEERN N#Cc1cccc(CN2C(=O)CNc3ccccc32)c1 ZINC000057927488 526702170 /nfs/dbraw/zinc/70/21/70/526702170.db2.gz MSKHVKGQZVRORL-UHFFFAOYSA-N 0 0 263.300 2.517 10 30 CFEERN N#Cc1ccccc1OCCn1ncc2ccccc21 ZINC000050525868 526747323 /nfs/dbraw/zinc/74/73/23/526747323.db2.gz HSGCDYDSMAMWTD-UHFFFAOYSA-N 0 0 263.300 2.987 10 30 CFEERN O=C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000090645767 527142745 /nfs/dbraw/zinc/14/27/45/527142745.db2.gz JXMGOQVFHOJMOM-OAHLLOKOSA-N 0 0 269.300 2.853 10 30 CFEERN OCC#Cc1cccc(CN2CCc3ccccc32)c1 ZINC000049616595 527519141 /nfs/dbraw/zinc/51/91/41/527519141.db2.gz MLYDUCHGNSLLDB-UHFFFAOYSA-N 0 0 263.340 2.593 10 30 CFEERN OCC#Cc1cccc(COc2ccccc2F)c1 ZINC000049620191 527519179 /nfs/dbraw/zinc/51/91/79/527519179.db2.gz GOGJIHNQSKDLKR-UHFFFAOYSA-N 0 0 256.276 2.749 10 30 CFEERN OCC#Cc1csc(COc2cc(F)cc(F)c2)c1 ZINC000054933592 527520605 /nfs/dbraw/zinc/52/06/05/527520605.db2.gz CJKYVKBXUJWWDR-UHFFFAOYSA-N 0 0 280.295 2.949 10 30 CFEERN OCC#Cc1ccccc1CN1Cc2ccccc2C1 ZINC000050911924 527521389 /nfs/dbraw/zinc/52/13/89/527521389.db2.gz YAKNXRVSNKJQCG-UHFFFAOYSA-N 0 0 263.340 2.546 10 30 CFEERN OCCC#Cc1ccccc1COCc1ccco1 ZINC000049619942 527532161 /nfs/dbraw/zinc/53/21/61/527532161.db2.gz AZHPXHAWKZHXMO-UHFFFAOYSA-N 0 0 256.301 2.730 10 30 CFEERN CCO[C@H](CC(=O)N[C@@H]1CCCNC1=O)C1=CCCC1 ZINC000329687074 528023820 /nfs/dbraw/zinc/02/38/20/528023820.db2.gz BOZADGSCEHQERQ-CHWSQXEVSA-N 0 0 280.368 2.967 10 30 CFEERN CC(C)n1c(CC2CC2)nnc1N1CCC(C#N)CC1 ZINC000333284357 528539211 /nfs/dbraw/zinc/53/92/11/528539211.db2.gz YMTQPZVLJURORA-UHFFFAOYSA-N 0 0 273.384 2.551 10 30 CFEERN CC(C)[C@@H]1C[C@H](NC(=O)NCCC2CCOCC2)CCO1 ZINC000329153383 528781363 /nfs/dbraw/zinc/78/13/63/528781363.db2.gz UEVDQHVAZBVXCG-CABCVRRESA-N 0 0 298.427 2.510 10 30 CFEERN CC[C@@]1(c2cccc(Br)c2)O[C@H]1C#N ZINC000306375821 545499072 /nfs/dbraw/zinc/49/90/72/545499072.db2.gz YDZJWXXGRVBLSA-QWRGUYRKSA-N 0 0 252.111 2.977 10 30 CFEERN C=C[C@@H](c1ccc(OC)cc1)C1=CC(=O)C(OC)=CC1=O ZINC000001620484 560182981 /nfs/dbraw/zinc/18/29/81/560182981.db2.gz FSNITHOUQGJHTR-ZDUSSCGKSA-N 0 0 284.311 2.573 10 30 in-vitro CFEERN C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)C(=O)C(=O)C=C4 ZINC000118937511 571850292 /nfs/dbraw/zinc/85/02/92/571850292.db2.gz REMSDZFYMQQJFD-QDTBLXIISA-N 0 0 284.355 2.796 10 30 endogenous,in-man CFEERN C[C@H](C#N)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000068925454 617672194 /nfs/dbraw/zinc/67/21/94/617672194.db2.gz YCTKYZZHLMNJSV-SSDOTTSWSA-N 0 0 274.267 2.940 10 30 CFEERN C=C[C@@H](C)NC(=S)NCc1ccccc1Br ZINC000757135574 617782178 /nfs/dbraw/zinc/78/21/78/617782178.db2.gz VPFNEUMZFKGFRX-SECBINFHSA-N 0 0 299.237 2.988 10 30 CFEERN C#CCC(C)(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000185021111 618318115 /nfs/dbraw/zinc/31/81/15/618318115.db2.gz DUMPMWRBPBKAJE-UHFFFAOYSA-N 0 0 259.393 2.977 10 30 CFEERN CCC(C#N)(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000070530846 625342568 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2.939 10 30 CFEERN C=C(C)[C@@H](NN)c1ccc(C)c(Br)c1 ZINC000158807047 348008633 /nfs/dbraw/zinc/00/86/33/348008633.db2.gz RNLPUSGIROGDBU-LLVKDONJSA-N 0 0 255.159 2.838 10 30 CFEERN C[C@](O)(CC=O)c1cc(F)c(Cl)cc1Cl ZINC000159354594 348012329 /nfs/dbraw/zinc/01/23/29/348012329.db2.gz PBCYVVSZUAINJK-JTQLQIEISA-N 0 0 251.084 2.929 10 30 CFEERN CCCC(=O)C(=CNc1ccc(OC)cc1)C(=O)OCC ZINC000166925405 348044532 /nfs/dbraw/zinc/04/45/32/348044532.db2.gz XNXYNQZQKCVBJV-KAMYIIQDSA-N 0 0 291.347 2.923 10 30 CFEERN N#Cc1cnc2ccccc2c1I ZINC000167715780 348045663 /nfs/dbraw/zinc/04/56/63/348045663.db2.gz JTEHODZGXNFYKK-UHFFFAOYSA-N 0 0 280.068 2.711 10 30 CFEERN CC/C(=N/NC(N)=S)c1ccc2cc(OC)ccc2c1 ZINC000213995269 348161043 /nfs/dbraw/zinc/16/10/43/348161043.db2.gz AGQBGLDVLXLETJ-VKAVYKQESA-N 0 0 287.388 2.796 10 30 CFEERN C=CCOc1c(OC(C)C)cccc1C(=O)OC ZINC000217963084 348165784 /nfs/dbraw/zinc/16/57/84/348165784.db2.gz IYQPXJDXGZBLIF-UHFFFAOYSA-N 0 0 250.294 2.825 10 30 CFEERN C=CCN(CC=C)c1sc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000218445614 348166404 /nfs/dbraw/zinc/16/64/04/348166404.db2.gz IASKKERJWAKTLV-UHFFFAOYSA-N 0 0 269.282 2.743 10 30 CFEERN N#Cc1cc(Br)ncc1OC(F)(F)F ZINC000221481181 348172115 /nfs/dbraw/zinc/17/21/15/348172115.db2.gz LZUZCPUNWWHCIP-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN CC1CN(c2ccc(C#N)cc2Br)C1 ZINC000232830221 348213785 /nfs/dbraw/zinc/21/37/85/348213785.db2.gz ZLHLQKFEWKUNPM-UHFFFAOYSA-N 0 0 251.127 2.777 10 30 CFEERN N#Cc1cccc(-c2coc(I)n2)c1 ZINC000230400230 348206123 /nfs/dbraw/zinc/20/61/23/348206123.db2.gz UOBJFNYXKDIPFW-UHFFFAOYSA-N 0 0 296.067 2.818 10 30 CFEERN CC#CC(=O)Nc1cccc(C)c1Br ZINC000232645585 348213033 /nfs/dbraw/zinc/21/30/33/348213033.db2.gz RNTRTTVDCYMAHA-UHFFFAOYSA-N 0 0 252.111 2.719 10 30 CFEERN Cc1cccc(N2C(=O)c3ccccc3C2=O)c1C#N ZINC000236012817 348231186 /nfs/dbraw/zinc/23/11/86/348231186.db2.gz YMRUUGCQQJDHKF-UHFFFAOYSA-N 0 0 262.268 2.667 10 30 CFEERN C=C[C@@H](NN)c1ccc(Cl)cc1Br ZINC000236283157 348233109 /nfs/dbraw/zinc/23/31/09/348233109.db2.gz FYYKKUKCZYSQJD-SECBINFHSA-N 0 0 261.550 2.793 10 30 CFEERN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250241480 348286618 /nfs/dbraw/zinc/28/66/18/348286618.db2.gz RFEITXJKYIKPEW-QDMKHBRRSA-N 0 0 254.333 2.563 10 30 CFEERN C#C[C@H](C)Nc1cccc(F)c1I ZINC000300889346 348370550 /nfs/dbraw/zinc/37/05/50/348370550.db2.gz BFXMABWPPUDXGH-ZETCQYMHSA-N 0 0 289.091 2.864 10 30 CFEERN COC(=O)c1c(Cl)cc(Br)cc1C#N ZINC000306815900 348393158 /nfs/dbraw/zinc/39/31/58/348393158.db2.gz DHKYFWXSNPBYGM-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN C#CCNc1c(Br)cncc1Br ZINC000307206889 348397348 /nfs/dbraw/zinc/39/73/48/348397348.db2.gz LWQAYLIMVPWFFP-UHFFFAOYSA-N 0 0 289.958 2.652 10 30 CFEERN N#CCc1cc(OC(F)(F)F)cc(Br)c1N ZINC000396041285 348552471 /nfs/dbraw/zinc/55/24/71/348552471.db2.gz OEHAGVHKSAWRNR-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN N#C[C@]1(Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000087930741 179525701 /nfs/dbraw/zinc/52/57/01/179525701.db2.gz 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CCCc1c(Cl)ncnc1N(CC)CCC#N ZINC000104212424 185933147 /nfs/dbraw/zinc/93/31/47/185933147.db2.gz HMVVGMKSIMKNJD-UHFFFAOYSA-N 0 0 252.749 2.822 10 30 CFEERN CC(=O)N(C)[C@@H]1CCN(c2ccc(C#N)c3ccccc32)C1 ZINC000090563331 180006103 /nfs/dbraw/zinc/00/61/03/180006103.db2.gz JCJVNVJPIAOUCY-OAHLLOKOSA-N 0 0 293.370 2.768 10 30 CFEERN CCN(C(=O)[C@H](C)COC)c1ccc(C#N)c(Cl)c1 ZINC000091206141 180111893 /nfs/dbraw/zinc/11/18/93/180111893.db2.gz KBJCUMCPFMEQAZ-SNVBAGLBSA-N 0 0 280.755 2.847 10 30 CFEERN COc1nccc(CCOc2ccccc2)c1C#N ZINC000091896654 180281725 /nfs/dbraw/zinc/28/17/25/180281725.db2.gz RGURKHQGUAQCGW-UHFFFAOYSA-N 0 0 254.289 2.583 10 30 CFEERN N#Cc1ccccc1OCC(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000111248839 186376693 /nfs/dbraw/zinc/37/66/93/186376693.db2.gz IQMUSHIXNDSDSN-UKRRQHHQSA-N 0 0 284.359 2.728 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 ZINC000609669636 351515170 /nfs/dbraw/zinc/51/51/70/351515170.db2.gz MHCVJQRRGHZLKR-ZJUUUORDSA-N 0 0 285.269 2.687 10 30 CFEERN CC#CCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000135203242 539852832 /nfs/dbraw/zinc/85/28/32/539852832.db2.gz ACKONORBDHMGIS-SECBINFHSA-N 0 0 268.719 2.863 10 30 CFEERN N#Cc1ccc([C@H]2CN(C(N)=O)c3ccccc3N2)cc1 ZINC000616692925 352415324 /nfs/dbraw/zinc/41/53/24/352415324.db2.gz XAEOZRSQQIHDSY-CQSZACIVSA-N 0 0 278.315 2.610 10 30 CFEERN N#Cc1ccccc1[C@@H]1Cc2ccccc2N(CCO)C1 ZINC000616672209 352406995 /nfs/dbraw/zinc/40/69/95/352406995.db2.gz KWAGKRKDJVPWAD-MRXNPFEDSA-N 0 0 278.355 2.697 10 30 CFEERN N#Cc1cccc([C@@H]2Cc3ccccc3N(CCO)C2)c1 ZINC000616673597 352407653 /nfs/dbraw/zinc/40/76/53/352407653.db2.gz VSJAOCWPJVMJKM-QGZVFWFLSA-N 0 0 278.355 2.697 10 30 CFEERN Cn1nccc1C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110413925 282862221 /nfs/dbraw/zinc/86/22/21/282862221.db2.gz QHYYUVYEHIEKMQ-UHFFFAOYSA-N 0 0 284.338 2.815 10 30 CFEERN C=C(Cl)CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000155146860 188186975 /nfs/dbraw/zinc/18/69/75/188186975.db2.gz PIUZRAZMXUHFIP-UHFFFAOYSA-N 0 0 296.846 2.508 10 30 CFEERN C=CCCOCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000155203833 188190193 /nfs/dbraw/zinc/19/01/93/188190193.db2.gz WFZXADNEVLTFMD-STQMWFEESA-N 0 0 295.329 2.777 10 30 CFEERN Cc1nc(N[C@H]2CCCC[C@H]2CO)c(Cl)cc1C#N ZINC000292581657 198340196 /nfs/dbraw/zinc/34/01/96/198340196.db2.gz LAPFIACUSOVHDK-GWCFXTLKSA-N 0 0 279.771 2.878 10 30 CFEERN C=CCCC(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000149487559 540198373 /nfs/dbraw/zinc/19/83/73/540198373.db2.gz WJFJKSFLZSZJLF-UHFFFAOYSA-N 0 0 253.342 2.825 10 30 CFEERN N#Cc1ccc(NC(=O)C(F)(F)F)c(Br)c1 ZINC000081573614 283175218 /nfs/dbraw/zinc/17/52/18/283175218.db2.gz VMFITLIRAFSRQB-UHFFFAOYSA-N 0 0 293.042 2.822 10 30 CFEERN C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000151095878 540354685 /nfs/dbraw/zinc/35/46/85/540354685.db2.gz NZRVGKJSKMFUBA-STQMWFEESA-N 0 0 263.768 2.801 10 30 CFEERN N#Cc1cc2c(F)c(Br)cc(F)c2[nH]c1=O ZINC000675067608 540663164 /nfs/dbraw/zinc/66/31/64/540663164.db2.gz KPTPQTOQUXVNJU-UHFFFAOYSA-N 0 0 285.047 2.853 10 30 CFEERN CC(C)(C)OC(=O)C#Cc1ccc(Cl)cc1N ZINC000675078648 540675444 /nfs/dbraw/zinc/67/54/44/540675444.db2.gz HYJPXMGNOJOLMP-UHFFFAOYSA-N 0 0 251.713 2.615 10 30 CFEERN CC(C)(C)OC(=O)C#Cc1ccc(N)cc1Cl ZINC000675078914 540676121 /nfs/dbraw/zinc/67/61/21/540676121.db2.gz NLNZPESPFZTHKG-UHFFFAOYSA-N 0 0 251.713 2.615 10 30 CFEERN Cn1c2cc(C#N)c(C#N)cc2nc1-c1ccccc1 ZINC000521401101 540942913 /nfs/dbraw/zinc/94/29/13/540942913.db2.gz LIAUAIJWQAHERN-UHFFFAOYSA-N 0 0 258.284 2.984 10 30 CFEERN CC(C)OC(=O)c1ccc(Oc2nccnc2C#N)cc1 ZINC000301187508 200934096 /nfs/dbraw/zinc/93/40/96/200934096.db2.gz PYVFLYPTSULKPC-UHFFFAOYSA-N 0 0 283.287 2.706 10 30 CFEERN N#Cc1ccc(Cl)cc1NCC1(O)CCSCC1 ZINC000301572480 201076119 /nfs/dbraw/zinc/07/61/19/201076119.db2.gz YMMJZRALRFBKJW-UHFFFAOYSA-N 0 0 282.796 2.882 10 30 CFEERN Cc1cc(NCc2c(C)cc(C)[nH]c2=O)c(C#N)c(C)n1 ZINC000301761056 201182416 /nfs/dbraw/zinc/18/24/16/201182416.db2.gz FVLBBCVPXAGPBX-UHFFFAOYSA-N 0 0 282.347 2.900 10 30 CFEERN Cc1cc(NCCCOCC(F)(F)F)c(C#N)c(C)n1 ZINC000301788511 201197170 /nfs/dbraw/zinc/19/71/70/201197170.db2.gz PVIDGHCNYJVBCA-UHFFFAOYSA-N 0 0 287.285 2.951 10 30 CFEERN N#Cc1cccc(NCc2nccn2Cc2ccccc2)n1 ZINC000301847459 201230081 /nfs/dbraw/zinc/23/00/81/201230081.db2.gz NJEBHUBQKVWYPC-UHFFFAOYSA-N 0 0 289.342 2.810 10 30 CFEERN C=CC[C@H](C)C(=O)CNC(=O)OCc1ccccc1 ZINC000685961489 541476655 /nfs/dbraw/zinc/47/66/55/541476655.db2.gz JQXILDCGGZLFRV-LBPRGKRZSA-N 0 0 261.321 2.694 10 30 CFEERN C=CC[C@H](C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685962213 541477327 /nfs/dbraw/zinc/47/73/27/541477327.db2.gz YTDXBTXUAYYNMU-JTQLQIEISA-N 0 0 253.342 2.825 10 30 CFEERN C=C(Cl)CC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685959301 541473391 /nfs/dbraw/zinc/47/33/91/541473391.db2.gz RCVYZYYXOBYTLR-UHFFFAOYSA-N 0 0 259.733 2.755 10 30 CFEERN C/C=C/C(=O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000685959171 541473514 /nfs/dbraw/zinc/47/35/14/541473514.db2.gz NAMWZUVWJMPCMK-FNORWQNLSA-N 0 0 253.342 2.827 10 30 CFEERN C=CC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC000685959666 541474306 /nfs/dbraw/zinc/47/43/06/541474306.db2.gz PNIDOWTZJMDMCN-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN CC(C)c1nc([C@H]2CCCN2c2ccc(C#N)nc2)no1 ZINC000277235486 193592527 /nfs/dbraw/zinc/59/25/27/193592527.db2.gz NUTHJHDTNQJGPL-CYBMUJFWSA-N 0 0 283.335 2.801 10 30 CFEERN C[C@H](Cc1cccs1)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235469717 189828532 /nfs/dbraw/zinc/82/85/32/189828532.db2.gz XOJGFRHSICDJFX-SECBINFHSA-N 0 0 288.332 2.966 10 30 CFEERN NC(=O)[C@]1(c2ccccn2)O[C@@H]1c1cccc2ccccc21 ZINC000000162570 371546959 /nfs/dbraw/zinc/54/69/59/371546959.db2.gz XXMRRXBBQWOURU-SJLPKXTDSA-N 0 0 290.322 2.687 10 30 CFEERN C=CCn1c(COC)nnc1SCc1ccccc1 ZINC000004345204 371850691 /nfs/dbraw/zinc/85/06/91/371850691.db2.gz VJFXTMNOGGMSGV-UHFFFAOYSA-N 0 0 275.377 2.903 10 30 CFEERN COS(=O)(=O)c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000013779579 372049626 /nfs/dbraw/zinc/04/96/26/372049626.db2.gz PQIIOMBIBBQSPZ-UHFFFAOYSA-N 0 0 272.366 2.974 10 30 CFEERN C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@H](C)O)=CC[C@@H]12 ZINC000014620397 372071146 /nfs/dbraw/zinc/07/11/46/372071146.db2.gz KQEADOUDJYBGFC-TXFQPVFDSA-N 0 0 250.338 2.602 10 30 CFEERN C=CC[C@@H](C)NC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000116856800 376209639 /nfs/dbraw/zinc/20/96/39/376209639.db2.gz SWAVSAUIHWFNMI-VXGBXAGGSA-N 0 0 284.400 2.761 10 30 CFEERN COc1ccc2cc([C@@H](C)C(=O)N(C)O)ccc2c1 ZINC000026248927 372315799 /nfs/dbraw/zinc/31/57/99/372315799.db2.gz BETHDYUGJBPRLG-SNVBAGLBSA-N 0 0 259.305 2.800 10 30 CFEERN CCCC(CCC)C(=O)Nc1ccc(C(=O)NO)cc1 ZINC000027524584 372340829 /nfs/dbraw/zinc/34/08/29/372340829.db2.gz DFTIKTIWFVAIDS-UHFFFAOYSA-N 0 0 278.352 2.961 10 30 CFEERN O=C1CCCCC1=CCCCc1c[nH]c(=S)[nH]c1=O ZINC000028022980 372356857 /nfs/dbraw/zinc/35/68/57/372356857.db2.gz LTIIQZUDURXYHX-YHYXMXQVSA-N 0 0 278.377 2.825 10 30 CFEERN Cc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000033387393 372491639 /nfs/dbraw/zinc/49/16/39/372491639.db2.gz VNMYZJCLHZUPQG-QPEQYQDCSA-N 0 0 290.235 2.850 10 30 CFEERN CCCCNC(=S)N/N=C(/C)Cc1ccc(OC)cc1 ZINC000034880952 372516334 /nfs/dbraw/zinc/51/63/34/372516334.db2.gz PHFAKWIWPQIMBP-ATVHPVEESA-N 0 0 293.436 2.878 10 30 CFEERN C=CCN1CCN(c2ccc(C)c(Cl)c2)C(=O)[C@H]1C ZINC000035798940 372552633 /nfs/dbraw/zinc/55/26/33/372552633.db2.gz CWHNMIKKXUJWPZ-GFCCVEGCSA-N 0 0 278.783 2.872 10 30 CFEERN CCC1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000048440316 373182331 /nfs/dbraw/zinc/18/23/31/373182331.db2.gz RAGVZQNCKSEVNC-UHFFFAOYSA-N 0 0 292.404 2.805 10 30 CFEERN Cc1ccc(C)c(CC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061888467 373734205 /nfs/dbraw/zinc/73/42/05/373734205.db2.gz XOUWDZFYWYFUMO-UKRRQHHQSA-N 0 0 256.349 2.654 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2ccccc2o1 ZINC000061888683 373734876 /nfs/dbraw/zinc/73/48/76/373734876.db2.gz NPDDVYQQMSBBDA-VXGBXAGGSA-N 0 0 254.289 2.855 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 ZINC000061889060 373736327 /nfs/dbraw/zinc/73/63/27/373736327.db2.gz PWTIHYHRMRFTOO-CABCVRRESA-N 0 0 254.333 2.597 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000061890877 373736470 /nfs/dbraw/zinc/73/64/70/373736470.db2.gz IABMJINBFKOPFB-AAEUAGOBSA-N 0 0 253.305 2.590 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000061891872 373736496 /nfs/dbraw/zinc/73/64/96/373736496.db2.gz AQRQWTUDBOOCOM-DLBZAZTESA-N 0 0 280.375 2.713 10 30 CFEERN C=CCn1c(COc2ccc([N+](=O)[O-])cc2)n[nH]c1=S ZINC000064871666 373837125 /nfs/dbraw/zinc/83/71/25/373837125.db2.gz PPRBYPCJJMJZDQ-UHFFFAOYSA-N 0 0 292.320 2.614 10 30 CFEERN N#Cc1nc2ccccc2cc1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000334119106 206028021 /nfs/dbraw/zinc/02/80/21/206028021.db2.gz JTGXHPZFIJUJCD-RRFJBIMHSA-N 0 0 293.370 2.704 10 30 CFEERN N#Cc1cccc(Oc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000081621809 374709551 /nfs/dbraw/zinc/70/95/51/374709551.db2.gz YUNGDVANKILZNU-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#Cc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000093438123 375236190 /nfs/dbraw/zinc/23/61/90/375236190.db2.gz 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379999821 /nfs/dbraw/zinc/99/98/21/379999821.db2.gz IUUQDANRWOBVNW-LBPRGKRZSA-N 0 0 275.348 2.991 10 30 CFEERN C=CCCCC(=O)N[C@@H](CC(=O)OC)c1ccccc1 ZINC000175150659 380006680 /nfs/dbraw/zinc/00/66/80/380006680.db2.gz PPHJTECCYPTHDT-AWEZNQCLSA-N 0 0 275.348 2.763 10 30 CFEERN Cn1cc([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)cn1 ZINC000177189736 380312538 /nfs/dbraw/zinc/31/25/38/380312538.db2.gz GWXXVAICYVELKR-OAHLLOKOSA-N 0 0 299.805 2.915 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)CSCC#N)[C@@H](C)C2 ZINC000182188132 381014835 /nfs/dbraw/zinc/01/48/35/381014835.db2.gz ABMWAYDGWFIMAA-XHDPSFHLSA-N 0 0 274.389 2.601 10 30 CFEERN Cc1ccc([C@H]2CCCCN2C(=O)NC[C@@H](C)C#N)o1 ZINC000182825106 381165153 /nfs/dbraw/zinc/16/51/53/381165153.db2.gz HDMNZCTYYFNBMO-WCQYABFASA-N 0 0 275.352 2.984 10 30 CFEERN C=CCS(=O)(=O)N(C)Cc1ccc2ccccc2c1 ZINC000342210361 381220267 /nfs/dbraw/zinc/22/02/67/381220267.db2.gz WHJMHAXUCAERCI-UHFFFAOYSA-N 0 0 275.373 2.787 10 30 CFEERN C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 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382466952 /nfs/dbraw/zinc/46/69/52/382466952.db2.gz GTKPMXJOTYODBW-UHFFFAOYSA-N 0 0 258.115 2.609 10 30 CFEERN Cn1c(COc2ccc(C#N)c(Cl)c2)nnc1C1CC1 ZINC000190265013 382659846 /nfs/dbraw/zinc/65/98/46/382659846.db2.gz UMMGYVYABLYSIP-UHFFFAOYSA-N 0 0 288.738 2.797 10 30 CFEERN N#Cc1cnc(C(F)(F)F)cc1OC(F)(F)F ZINC000575374319 382761916 /nfs/dbraw/zinc/76/19/16/382761916.db2.gz MZGGETDRBBHGED-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN CCc1nnc(CN(Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000195118253 382762256 /nfs/dbraw/zinc/76/22/56/382762256.db2.gz OLSISZOKUJMRRO-UHFFFAOYSA-N 0 0 297.406 2.660 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(C#N)c(CC)c1 ZINC000575382341 382762845 /nfs/dbraw/zinc/76/28/45/382762845.db2.gz BPZBUCHAUAVFSD-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(CC)c1Cl ZINC000575382396 382762960 /nfs/dbraw/zinc/76/29/60/382762960.db2.gz IQBBLIMUPOTIOW-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(Cl)c1OC(F)F ZINC000575382494 382763220 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DIKKSLOAFBSVGL-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1cc(CC#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575660549 382781055 /nfs/dbraw/zinc/78/10/55/382781055.db2.gz RSESCUSTVRVXBB-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#Cc1c(OC(F)F)cc(O)cc1C(F)(F)F ZINC000575661584 382781467 /nfs/dbraw/zinc/78/14/67/382781467.db2.gz JSLDLKHFBHXHGX-UHFFFAOYSA-N 0 0 253.126 2.884 10 30 CFEERN N#CCc1c(O)cc(OC(F)(F)F)cc1OC(F)F ZINC000575662332 382781951 /nfs/dbraw/zinc/78/19/51/382781951.db2.gz WZVWBYOMFPAADZ-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCOc1cc(CC#N)cc([N+](=O)[O-])c1C(F)F ZINC000575665843 382782331 /nfs/dbraw/zinc/78/23/31/382782331.db2.gz BHMXKMHGJWHGNE-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#CCc1cc(Cl)c(N)cc1I ZINC000575715749 382795000 /nfs/dbraw/zinc/79/50/00/382795000.db2.gz PMRQPZVKAQHONE-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc(OC(F)(F)F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575668321 382783243 /nfs/dbraw/zinc/78/32/43/382783243.db2.gz UXVXKKFMLCWQDF-UHFFFAOYSA-N 0 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N#Cc1cc(Br)c([N+](=O)[O-])cc1Cl ZINC000575678243 382784915 /nfs/dbraw/zinc/78/49/15/382784915.db2.gz RVUAZRYMNUNAGZ-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1c(Br)ccc(Cl)c1[N+](=O)[O-] ZINC000575678336 382784932 /nfs/dbraw/zinc/78/49/32/382784932.db2.gz SXLSESZMFUPGNP-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN COc1cc(C(F)(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575679502 382785685 /nfs/dbraw/zinc/78/56/85/382785685.db2.gz URVMATQNXJSHEQ-UHFFFAOYSA-N 0 0 260.171 2.688 10 30 CFEERN N#CCc1cc(O)cc(OC(F)F)c1Br ZINC000575681970 382786185 /nfs/dbraw/zinc/78/61/85/382786185.db2.gz IJNYZVVGONEUFL-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(OC(F)F)cc(O)c1Br ZINC000575682317 382786300 /nfs/dbraw/zinc/78/63/00/382786300.db2.gz PNOMRQJHRFNKNX-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(O)cc(Br)cc1OC(F)F ZINC000575681811 382786478 /nfs/dbraw/zinc/78/64/78/382786478.db2.gz COEDBYQDMCZMBP-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(Br)c(Br)cc1N ZINC000575716950 382795235 /nfs/dbraw/zinc/79/52/35/382795235.db2.gz ZGBRNIZFXVXAKP-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#Cc1cc(Br)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575683723 382787111 /nfs/dbraw/zinc/78/71/11/382787111.db2.gz AZBHWDFAHYLQEN-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN CCc1cc(I)cc(N)c1CC#N ZINC000575717560 382795274 /nfs/dbraw/zinc/79/52/74/382795274.db2.gz INERHEADIMJKPD-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575718153 382795605 /nfs/dbraw/zinc/79/56/05/382795605.db2.gz YNIGCRLRBQBYAZ-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCc1c(N)cc(I)cc1CC#N ZINC000575718458 382795614 /nfs/dbraw/zinc/79/56/14/382795614.db2.gz UNEDISYOMAXVKN-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN CCOC(=O)Cc1cc(Br)cc(C#N)c1CC ZINC000575341600 382759299 /nfs/dbraw/zinc/75/92/99/382759299.db2.gz GIPRGJQTDFJRBB-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)Cc1cc(Cl)c(OC(F)F)c(C#N)c1 ZINC000575342982 382759317 /nfs/dbraw/zinc/75/93/17/382759317.db2.gz GRSYMPHFKFLYST-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1Cl ZINC000575342986 382759507 /nfs/dbraw/zinc/75/95/07/382759507.db2.gz HZSLBFMWTACAIT-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN COC(=O)Cc1cc(C#N)c(Cl)c(OC(F)F)c1 ZINC000575343006 382759668 /nfs/dbraw/zinc/75/96/68/382759668.db2.gz NLJVMKSVONZTRN-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(C#N)c1OC(F)F ZINC000575343015 382759691 /nfs/dbraw/zinc/75/96/91/382759691.db2.gz QSPQUIAAPZIHRF-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)c1c(Cl)cc(OC(F)F)cc1C#N ZINC000575343026 382759717 /nfs/dbraw/zinc/75/97/17/382759717.db2.gz SLJUXSVUDVBGHW-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)c1c(C#N)cc(OC)cc1C(F)F ZINC000575343547 382759740 /nfs/dbraw/zinc/75/97/40/382759740.db2.gz HBRKHYMSKGBVEU-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN COC(=O)c1cc(C#N)cc(OC(F)F)c1Cl ZINC000575343008 382759753 /nfs/dbraw/zinc/75/97/53/382759753.db2.gz NYIUVDLEBGAJHI-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)cc(Cl)c1C#N ZINC000575343052 382759798 /nfs/dbraw/zinc/75/97/98/382759798.db2.gz YTPVHGKUZGYEDT-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC)cc1C(F)F ZINC000575343637 382759986 /nfs/dbraw/zinc/75/99/86/382759986.db2.gz UMWZIRZVVPVQKS-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1C(F)F ZINC000575344125 382760030 /nfs/dbraw/zinc/76/00/30/382760030.db2.gz PKCYRZLSZTXEAY-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1c(F)cc(C#N)cc1C(F)(F)F ZINC000575344893 382760263 /nfs/dbraw/zinc/76/02/63/382760263.db2.gz GSKYPWWBIUPKRC-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1F ZINC000575345035 382760318 /nfs/dbraw/zinc/76/03/18/382760318.db2.gz QHOWXAWEBXHKRK-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(F)cc1C(F)(F)F ZINC000575345071 382760333 /nfs/dbraw/zinc/76/03/33/382760333.db2.gz VADGIXQHLOVXSV-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN N#CCc1c(F)c([N+](=O)[O-])ccc1OC(F)(F)F ZINC000575710675 382793290 /nfs/dbraw/zinc/79/32/90/382793290.db2.gz KPDCDIWTACTEOA-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN CC(=O)N1C=C(Br)c2ccccc2[C@H]1C#N ZINC000223905579 382807600 /nfs/dbraw/zinc/80/76/00/382807600.db2.gz ZFPLVTLJOFEYEZ-GFCCVEGCSA-N 0 0 277.121 2.807 10 30 CFEERN C=CCOC(=O)c1cc(NC)ccc1N(CC)CC ZINC000226279118 382825874 /nfs/dbraw/zinc/82/58/74/382825874.db2.gz VZVRJXQYUNSRKQ-UHFFFAOYSA-N 0 0 262.353 2.917 10 30 CFEERN O=C(NO)c1cc(Cl)cc(Cl)c1Br ZINC000226289813 382826026 /nfs/dbraw/zinc/82/60/26/382826026.db2.gz HLWVMGIKSHGQAE-UHFFFAOYSA-N 0 0 284.924 2.875 10 30 CFEERN O=C(NO)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000226290578 382826092 /nfs/dbraw/zinc/82/60/92/382826092.db2.gz HRGVSQYHNODMLT-UHFFFAOYSA-N 0 0 282.639 2.627 10 30 CFEERN Cc1cnc([C@H](C)NC(=O)C2(C#N)CCCCC2)o1 ZINC000226616034 382830736 /nfs/dbraw/zinc/83/07/36/382830736.db2.gz NWUAJTXASXRUEJ-NSHDSACASA-N 0 0 261.325 2.634 10 30 CFEERN Cc1cnc(CNc2cc(C)nc(C)c2C#N)s1 ZINC000227593954 382838096 /nfs/dbraw/zinc/83/80/96/382838096.db2.gz CGCVFEMIVMDTIQ-UHFFFAOYSA-N 0 0 258.350 2.947 10 30 CFEERN C[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235233345 382878117 /nfs/dbraw/zinc/87/81/17/382878117.db2.gz NTSKBXWUFGPPGH-NXEZZACHSA-N 0 0 260.297 2.852 10 30 CFEERN N#Cc1nc(N[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000236416778 382893856 /nfs/dbraw/zinc/89/38/56/382893856.db2.gz OOOWXWMVPQODJT-NEPJUHHUSA-N 0 0 280.287 2.829 10 30 CFEERN CC(C)(C)c1c(Br)cnc(N)c1C#N ZINC000248158464 383216008 /nfs/dbraw/zinc/21/60/08/383216008.db2.gz FKCNJGQYABFNDH-UHFFFAOYSA-N 0 0 254.131 2.595 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)NC[C@H](C)C#N)[C@H](C)C2 ZINC000248455333 383246191 /nfs/dbraw/zinc/24/61/91/383246191.db2.gz RLIDYQKRKMAFSA-LALPHHSUSA-N 0 0 271.364 2.687 10 30 CFEERN O=C1CS/C(=N/N=Cc2ccc(Cl)cc2Cl)N1 ZINC000254714901 383470276 /nfs/dbraw/zinc/47/02/76/383470276.db2.gz YWZGAZGZNHNMNW-UHFFFAOYSA-N 0 0 288.159 2.546 10 30 CFEERN CCOc1ccccc1C=Nc1ccccc1C(N)=O ZINC000254855603 383472380 /nfs/dbraw/zinc/47/23/80/383472380.db2.gz ZBDYBMBBNGIWAT-UHFFFAOYSA-N 0 0 268.316 2.935 10 30 CFEERN NS(=O)(=O)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 ZINC000254836387 383472515 /nfs/dbraw/zinc/47/25/15/383472515.db2.gz GJNKIAFRSWPYMO-UHFFFAOYSA-N 0 0 299.355 2.566 10 30 CFEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000187723975 260053663 /nfs/dbraw/zinc/05/36/63/260053663.db2.gz SWDWEJZJDWORTG-RKDXNWHRSA-N 0 0 268.719 2.861 10 30 CFEERN Cc1csc([C@H]2CN(CC#Cc3ccccc3)CCO2)n1 ZINC000191977025 130342103 /nfs/dbraw/zinc/34/21/03/130342103.db2.gz ASYXEJVZCCNUJE-MRXNPFEDSA-N 0 0 298.411 2.877 10 30 CFEERN C=C(C)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246939318 131099303 /nfs/dbraw/zinc/09/93/03/131099303.db2.gz ZFDLEMNQKBJTPR-RISCZKNCSA-N 0 0 253.292 2.649 10 30 CFEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000268865105 132079541 /nfs/dbraw/zinc/07/95/41/132079541.db2.gz NPFIFVJLBVOBNV-ZDUSSCGKSA-N 0 0 267.394 2.860 10 30 CFEERN Cc1cc2c(cc1F)C(=O)N[C@@]1(CCC[C@H](C#N)C1)N2 ZINC000334868313 292010614 /nfs/dbraw/zinc/01/06/14/292010614.db2.gz QDYXWFPWDYQCSO-ZUZCIYMTSA-N 0 0 273.311 2.700 10 30 CFEERN CCC1(CC)CN(c2ccc(F)cc2C#N)CC[S@@]1=O ZINC000302231470 393490778 /nfs/dbraw/zinc/49/07/78/393490778.db2.gz XULACKSRHCTTNK-FQEVSTJZSA-N 0 0 294.395 2.825 10 30 CFEERN COc1cccc([C@@H](C#N)C(=O)c2cccnc2)c1 ZINC000040907713 393544151 /nfs/dbraw/zinc/54/41/51/393544151.db2.gz RCPHNIQTZVUASN-CQSZACIVSA-N 0 0 252.273 2.580 10 30 CFEERN O=CC1(Cc2ccc(I)cc2)CC1 ZINC000306214664 393506083 /nfs/dbraw/zinc/50/60/83/393506083.db2.gz NJFZFMCBYPCQKN-UHFFFAOYSA-N 0 0 286.112 2.813 10 30 CFEERN CCc1ccc([C@@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182344822 393509237 /nfs/dbraw/zinc/50/92/37/393509237.db2.gz DNNAOWIJOBACIM-VXGBXAGGSA-N 0 0 259.353 2.769 10 30 CFEERN C=CCCC[C@H](C)NC(=O)C1CCC(C(=O)OC)CC1 ZINC000182618226 393511453 /nfs/dbraw/zinc/51/14/53/393511453.db2.gz NDAGASVHJQKNCF-HSBZDZAISA-N 0 0 281.396 2.827 10 30 CFEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000182805274 393514366 /nfs/dbraw/zinc/51/43/66/393514366.db2.gz OGGAUJODXSZKDF-SWLSCSKDSA-N 0 0 276.380 2.546 10 30 CFEERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C#N)cn2)cs1 ZINC000187072171 393551267 /nfs/dbraw/zinc/55/12/67/393551267.db2.gz OXMSQTXCWOELDN-AWEZNQCLSA-N 0 0 298.371 2.696 10 30 CFEERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)c1ccc(C#N)cc1 ZINC000191910549 393611720 /nfs/dbraw/zinc/61/17/20/393611720.db2.gz XFQKZWSKLLXLNW-SWLSCSKDSA-N 0 0 272.348 2.726 10 30 CFEERN N#CCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000196263644 393744679 /nfs/dbraw/zinc/74/46/79/393744679.db2.gz KWTRNTOQSMVRAZ-UHFFFAOYSA-N 0 0 267.332 2.994 10 30 CFEERN Cc1noc(C(C)C)c1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000335753990 393698474 /nfs/dbraw/zinc/69/84/74/393698474.db2.gz FNAZXJRCXBAODW-MNOVXSKESA-N 0 0 261.325 2.529 10 30 CFEERN Cc1cc(C)n(N=Cc2ccccc2OC(F)F)c(=O)c1 ZINC000263629978 393964291 /nfs/dbraw/zinc/96/42/91/393964291.db2.gz ZSRJQTXUKKTNNV-UHFFFAOYSA-N 0 0 292.285 2.949 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCSc1ccccc1 ZINC000360337094 394149003 /nfs/dbraw/zinc/14/90/03/394149003.db2.gz LFIGRLMRYFPSJF-JSGCOSHPSA-N 0 0 274.389 2.977 10 30 CFEERN N#Cc1cccc(CN2CC(=O)Nc3ccccc32)c1 ZINC000020293583 134725038 /nfs/dbraw/zinc/72/50/38/134725038.db2.gz DGIQQQKUEGXNOF-UHFFFAOYSA-N 0 0 263.300 2.517 10 30 CFEERN C=CCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000156632057 394336991 /nfs/dbraw/zinc/33/69/91/394336991.db2.gz XBPGXYNOJDOEJC-LBPRGKRZSA-N 0 0 260.337 2.774 10 30 CFEERN C=C(C)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000405511575 543020048 /nfs/dbraw/zinc/02/00/48/543020048.db2.gz RMXYQXVEFZMXBI-NSHDSACASA-N 0 0 253.342 2.779 10 30 CFEERN C=C(C)C(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405634797 543022132 /nfs/dbraw/zinc/02/21/32/543022132.db2.gz VEGDUJWRVSVVER-JTQLQIEISA-N 0 0 253.342 2.635 10 30 CFEERN C=C(C)CC(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000405730130 543022850 /nfs/dbraw/zinc/02/28/50/543022850.db2.gz TXXBXMWHPKGHFJ-UHFFFAOYSA-N 0 0 253.342 2.827 10 30 CFEERN C=CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405685440 543022861 /nfs/dbraw/zinc/02/28/61/543022861.db2.gz VTJUUNHKSNQDDA-GHMZBOCLSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000405693027 543023110 /nfs/dbraw/zinc/02/31/10/543023110.db2.gz RJGFCOUDCNSAGM-GHMZBOCLSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405945758 543027510 /nfs/dbraw/zinc/02/75/10/543027510.db2.gz PBTYHTDRRTWNHQ-NSHDSACASA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405962242 543027710 /nfs/dbraw/zinc/02/77/10/543027710.db2.gz ZDOZZPYBADFAPV-QMTHXVAHSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406013566 543028901 /nfs/dbraw/zinc/02/89/01/543028901.db2.gz BITPELLDOIPOGI-GHMZBOCLSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406013683 543029032 /nfs/dbraw/zinc/02/90/32/543029032.db2.gz BITPELLDOIPOGI-MNOVXSKESA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406074197 543029382 /nfs/dbraw/zinc/02/93/82/543029382.db2.gz SCJOIWSHAKSUBB-LBPRGKRZSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406106644 543030349 /nfs/dbraw/zinc/03/03/49/543030349.db2.gz NBNOLQMQLSZXAM-GFCCVEGCSA-N 0 0 261.321 2.837 10 30 CFEERN C=CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000584597021 397585715 /nfs/dbraw/zinc/58/57/15/397585715.db2.gz ZUGHKORMEKKENX-LBPRGKRZSA-N 0 0 263.293 2.893 10 30 CFEERN CC#CCOc1c(Br)cccc1C=O ZINC000051663907 397589939 /nfs/dbraw/zinc/58/99/39/397589939.db2.gz KDNDSJZTYWYSBP-UHFFFAOYSA-N 0 0 253.095 2.664 10 30 CFEERN COC(=O)c1ccc(C#N)c(Cl)c1Br ZINC000307132996 397643703 /nfs/dbraw/zinc/64/37/03/397643703.db2.gz WJQSPUBGUUEFEI-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN Cc1c(CCC#N)n2ccccc2c1C(=O)CC#N ZINC000003186031 169866107 /nfs/dbraw/zinc/86/61/07/169866107.db2.gz QYUYAWYDOFIVJU-UHFFFAOYSA-N 0 0 251.289 2.800 10 30 CFEERN C/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccccc1 ZINC000005287759 170083200 /nfs/dbraw/zinc/08/32/00/170083200.db2.gz WZITUYVFESCCSG-SSZFMOIBSA-N 0 0 288.372 2.584 10 30 CFEERN C[C@H](Oc1cccc(C#N)c1)C(=O)NC1CCCCC1 ZINC000005429448 170098700 /nfs/dbraw/zinc/09/87/00/170098700.db2.gz NWUSAGZIECYLAY-LBPRGKRZSA-N 0 0 272.348 2.774 10 30 CFEERN Cc1c(/N=C2/C(=O)Nc3ccccc32)cccc1[N+](=O)[O-] ZINC000005532702 170109534 /nfs/dbraw/zinc/10/95/34/170109534.db2.gz DPARQKBRMCENLF-UHFFFAOYSA-N 0 0 281.271 2.976 10 30 CFEERN O=[N+]([O-])c1ccccc1C=NNc1ccccc1O ZINC000005770498 170138768 /nfs/dbraw/zinc/13/87/68/170138768.db2.gz MOAFAKJSBWUHAJ-NTEUORMPSA-N 0 0 257.249 2.746 10 30 CFEERN Cc1ccc(NC(=S)N/N=C/c2ccccn2)cc1 ZINC000006332087 170192820 /nfs/dbraw/zinc/19/28/20/170192820.db2.gz SUMXLQKGNVWFFU-MHWRWJLKSA-N 0 0 270.361 2.711 10 30 CFEERN S=c1[nH]nc(NN=Cc2ccccc2Cl)[nH]1 ZINC000006335733 170193051 /nfs/dbraw/zinc/19/30/51/170193051.db2.gz AQKOXDIDFCDGQB-VZUCSPMQSA-N 0 0 253.718 2.567 10 30 CFEERN C#Cc1ccc2[nH]c(=O)n3c2c1CN(CC=C(C)C)[C@@H](C)C3 ZINC000006495324 170207143 /nfs/dbraw/zinc/20/71/43/170207143.db2.gz GUMIEJSGYLCYET-ZDUSSCGKSA-N 0 0 295.386 2.894 10 30 CFEERN Cc1nc(C#N)c(N=NCc2cc(C)c(O)c(C)c2)o1 ZINC000006825866 170247071 /nfs/dbraw/zinc/24/70/71/170247071.db2.gz CUGSVNVAQFLGBV-FRKPEAEDSA-N 0 0 270.292 2.623 10 30 CFEERN CCN(CC)C(=NNc1ccccc1Cl)C(C)=O ZINC000006937427 170256520 /nfs/dbraw/zinc/25/65/20/170256520.db2.gz FXCVYZFJDAUPPC-DTQAZKPQSA-N 0 0 267.760 2.996 10 30 CFEERN N#Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000007497695 170287308 /nfs/dbraw/zinc/28/73/08/170287308.db2.gz BUJSOAJIXFCYER-UHFFFAOYSA-N 0 0 299.330 2.824 10 30 CFEERN COc1cc2oc(=O)ccc2cc1C[C@@H]1OC1(C)C ZINC000012153728 170471331 /nfs/dbraw/zinc/47/13/31/170471331.db2.gz JZRVCRZHZQXYDH-ZDUSSCGKSA-N 0 0 260.289 2.522 10 30 CFEERN O=c1[nH]ncc(NN=CC=Cc2ccccc2)c1Cl ZINC000018889058 170750486 /nfs/dbraw/zinc/75/04/86/170750486.db2.gz GAAJAKKWZSDRMV-DUEVJXGLSA-N 0 0 274.711 2.534 10 30 CFEERN C[C@@H]1Cc2ccccc2N1Cc1cccc(/C(N)=N/O)c1 ZINC000019808320 170877204 /nfs/dbraw/zinc/87/72/04/170877204.db2.gz BSHUTDOIGNMZPD-GFCCVEGCSA-N 0 0 281.359 2.732 10 30 CFEERN N#C[C@@H](NC1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000020175591 171041752 /nfs/dbraw/zinc/04/17/52/171041752.db2.gz YLSOCXXSVIOTPE-CQSZACIVSA-N 0 0 272.348 2.945 10 30 CFEERN Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1N ZINC000020220840 171082511 /nfs/dbraw/zinc/08/25/11/171082511.db2.gz NRQYQGCIUWSFBG-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC000020313421 171145124 /nfs/dbraw/zinc/14/51/24/171145124.db2.gz FGOCRCWMDOUMAY-GFCCVEGCSA-N 0 0 254.333 2.942 10 30 CFEERN CC(C)CCNC(=O)[C@@H](C)Oc1ccc(CC#N)cc1 ZINC000020363367 171162456 /nfs/dbraw/zinc/16/24/56/171162456.db2.gz RLDSTFXCBJDTBE-CYBMUJFWSA-N 0 0 274.364 2.682 10 30 CFEERN C#CCNC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366621 171165347 /nfs/dbraw/zinc/16/53/47/171165347.db2.gz UPJAQGBDZPDKHK-QMMMGPOBSA-N 0 0 271.147 2.543 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000020368654 171166849 /nfs/dbraw/zinc/16/68/49/171166849.db2.gz UHTJAVQDAPMIEO-VIFPVBQESA-N 0 0 288.269 2.688 10 30 CFEERN CC(C)CCCOCc1ccc(/C(N)=N/O)cc1F ZINC000020516431 171232466 /nfs/dbraw/zinc/23/24/66/171232466.db2.gz PRONRHKELJFHSE-UHFFFAOYSA-N 0 0 268.332 2.873 10 30 CFEERN C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021347099 171302995 /nfs/dbraw/zinc/30/29/95/171302995.db2.gz GZLZPKWKNIUODK-HNNXBMFYSA-N 0 0 298.386 2.549 10 30 CFEERN N#CCOc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000023150681 171414576 /nfs/dbraw/zinc/41/45/76/171414576.db2.gz NBOSWPZTOPCTAP-UHFFFAOYSA-N 0 0 284.290 2.909 10 30 CFEERN Cc1ccc(S(=O)(=O)[C@@H](C#N)C2CCCC2)cc1 ZINC000034792318 171867332 /nfs/dbraw/zinc/86/73/32/171867332.db2.gz KVMFSXVWUNGBMG-AWEZNQCLSA-N 0 0 263.362 2.851 10 30 CFEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CC(C)C ZINC000035144423 172010161 /nfs/dbraw/zinc/01/01/61/172010161.db2.gz YUPSRSJTQKQIHE-UHFFFAOYSA-N 0 0 285.391 2.927 10 30 CFEERN N#Cc1ccccc1NCC(=O)Nc1c(F)cccc1F ZINC000035152529 172015383 /nfs/dbraw/zinc/01/53/83/172015383.db2.gz XDOUJRPMRUJCDJ-UHFFFAOYSA-N 0 0 287.269 2.887 10 30 CFEERN N#Cc1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000035179560 172032790 /nfs/dbraw/zinc/03/27/90/172032790.db2.gz JKQJBBFMNICDCO-UHFFFAOYSA-N 0 0 290.120 2.901 10 30 CFEERN C[C@@H]1CN=C(Nc2ccc(C#N)c(Cl)c2)S1 ZINC000035295305 172107234 /nfs/dbraw/zinc/10/72/34/172107234.db2.gz CHBNAHCLYONKGA-SSDOTTSWSA-N 0 0 251.742 2.924 10 30 CFEERN CCOc1ccccc1C=Nn1c(C)n[nH]c1=S ZINC000035418157 172190143 /nfs/dbraw/zinc/19/01/43/172190143.db2.gz PQYLXZRSXFSSIU-JYRVWZFOSA-N 0 0 262.338 2.530 10 30 CFEERN CC(C)COc1ccccc1C=Nn1cn[nH]c1=S ZINC000035441283 172202753 /nfs/dbraw/zinc/20/27/53/172202753.db2.gz XSLKHXXTRLSGFO-CHHVJCJISA-N 0 0 276.365 2.858 10 30 CFEERN CCN(CC)c1ccc(C=Nn2c(C)n[nH]c2=S)cc1 ZINC000035455554 172206749 /nfs/dbraw/zinc/20/67/49/172206749.db2.gz QCVFPPNVIMWQII-GDNBJRDFSA-N 0 0 289.408 2.978 10 30 CFEERN CCCC1N=NC(=S)N1N=Cc1ccccc1OCC ZINC000035455865 172206877 /nfs/dbraw/zinc/20/68/77/172206877.db2.gz PDSVKAUVITTYGH-GDNBJRDFSA-N 0 0 290.392 2.800 10 30 CFEERN CC[C@H](C/C(N)=N/O)Sc1cc(F)ccc1F ZINC000035676301 172346730 /nfs/dbraw/zinc/34/67/30/172346730.db2.gz KMKDQVFAEVECSS-MRVPVSSYSA-N 0 0 260.309 2.972 10 30 CFEERN N#CC1(S(=O)(=O)c2ccccc2Cl)CCCC1 ZINC000035676707 172347394 /nfs/dbraw/zinc/34/73/94/172347394.db2.gz OIUWTPJFRYANEM-UHFFFAOYSA-N 0 0 269.753 2.950 10 30 CFEERN N#CC1(S(=O)(=O)c2cc(F)ccc2F)CCCC1 ZINC000035676805 172347969 /nfs/dbraw/zinc/34/79/69/172347969.db2.gz DTEABRCHXQTQIK-UHFFFAOYSA-N 0 0 271.288 2.575 10 30 CFEERN COc1cc(NC[C@H](C)C#N)c(OC)cc1Cl ZINC000036669000 172647355 /nfs/dbraw/zinc/64/73/55/172647355.db2.gz VJTOGUFXDUHVGC-MRVPVSSYSA-N 0 0 254.717 2.929 10 30 CFEERN N#CCOc1ccccc1NC(=O)Cc1ccsc1 ZINC000036682005 172652727 /nfs/dbraw/zinc/65/27/27/172652727.db2.gz YCKCFLFISLHXGY-UHFFFAOYSA-N 0 0 272.329 2.832 10 30 CFEERN Cc1n[nH]cc1CNc1ccc(C#N)cc1Br ZINC000037072364 172932199 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/nfs/dbraw/zinc/20/26/31/625202631.db2.gz XGKXADWOSTYPNN-UHFFFAOYSA-N 0 0 294.811 2.662 10 30 CFEERN N#Cc1ccc(-c2cc(Br)ccc2F)nn1 ZINC000757565987 630529888 /nfs/dbraw/zinc/52/98/88/630529888.db2.gz JUAQFWBXWSPZFL-UHFFFAOYSA-N 0 0 278.084 2.917 10 30 CFEERN CCCCCCCC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000117284741 636829887 /nfs/dbraw/zinc/82/98/87/636829887.db2.gz JRMPBUSSMSLPHY-OAHLLOKOSA-N 0 0 284.444 2.526 10 30 CFEERN C#CCOCCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000122547191 639193100 /nfs/dbraw/zinc/19/31/00/639193100.db2.gz OXEQLJZGZDOYGR-JTQLQIEISA-N 0 0 283.730 2.696 10 30 CFEERN CCCCCCCCC(=O)N1CC[C@@H](CCO)C1 ZINC000126867372 643704979 /nfs/dbraw/zinc/70/49/79/643704979.db2.gz SLQHPAJCOQKLCT-AWEZNQCLSA-N 0 0 255.402 2.968 10 30 CFEERN N#Cc1ccc(N2CCC[C@H]2c2ccc(N)nn2)cc1Cl ZINC000886086733 646861326 /nfs/dbraw/zinc/86/13/26/646861326.db2.gz ZKMWBBYDJYLXMU-AWEZNQCLSA-N 0 0 299.765 2.925 10 30 CFEERN O=C1C=Cc2ccccc2C1=NNc1ccccc1O ZINC000095628834 185016960 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NKGKCDXMOMAORK-OLZOCXBDSA-N 0 0 299.317 2.799 10 30 CFEERN C=CCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1 ZINC000044121098 346390520 /nfs/dbraw/zinc/39/05/20/346390520.db2.gz BFPJISNTMKNUPB-UHFFFAOYSA-N 0 0 277.327 2.941 10 30 CFEERN O=CCOc1ccc(Br)cc1Br ZINC000050161348 346490959 /nfs/dbraw/zinc/49/09/59/346490959.db2.gz QFRAQDVKYLAMQK-UHFFFAOYSA-N 0 0 293.942 2.789 10 30 CFEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)cc2)cn1 ZINC000092961241 347654979 /nfs/dbraw/zinc/65/49/79/347654979.db2.gz YRJBQOONXRAEHQ-CQSZACIVSA-N 0 0 273.723 2.752 10 30 CFEERN CCCCOc1ccc(/C=C(\C)C(=O)NO)cc1OC ZINC000095818091 347699194 /nfs/dbraw/zinc/69/91/94/347699194.db2.gz JYALOUTXPLCXHL-PKNBQFBNSA-N 0 0 279.336 2.783 10 30 CFEERN CO[C@H](c1ccc(CO)cc1)c1cccc(C#N)c1 ZINC000113924489 347769434 /nfs/dbraw/zinc/76/94/34/347769434.db2.gz TWCUNVOLBQPWLT-MRXNPFEDSA-N 0 0 253.301 2.786 10 30 CFEERN CSCCCOc1cccc([N+](=O)[O-])c1C#N ZINC000114234686 347771302 /nfs/dbraw/zinc/77/13/02/347771302.db2.gz BDJWICRUUXTDBU-UHFFFAOYSA-N 0 0 252.295 2.598 10 30 CFEERN OCC(F)(F)[C@@H](F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000117018785 347790118 /nfs/dbraw/zinc/79/01/18/347790118.db2.gz PUKKRYWSWBRAIN-REOHCLBHSA-N 0 0 298.076 2.717 10 30 CFEERN Cc1cc2ncc(C#Cc3ccc(F)cc3)cn2n1 ZINC000117720809 347793266 /nfs/dbraw/zinc/79/32/66/347793266.db2.gz SZXPRFDJZZLITL-UHFFFAOYSA-N 0 0 251.264 2.577 10 30 CFEERN COC(=O)c1c(F)cccc1-c1cnc(C#N)c(F)c1 ZINC000140485327 347926552 /nfs/dbraw/zinc/92/65/52/347926552.db2.gz JDYYTWWGOADTME-UHFFFAOYSA-N 0 0 274.226 2.685 10 30 CFEERN N#Cc1ccc([S@](=O)c2cccc(F)c2C#N)cc1 ZINC000143639876 347938153 /nfs/dbraw/zinc/93/81/53/347938153.db2.gz LBDKUBRAUDASRU-LJQANCHMSA-N 0 0 270.288 2.736 10 30 CFEERN C=CCCN(Cc1ccccc1)C(=O)C(=C)CC(=O)OC ZINC000136564145 347910782 /nfs/dbraw/zinc/91/07/82/347910782.db2.gz QMXRIHUIKOZXFI-UHFFFAOYSA-N 0 0 287.359 2.711 10 30 CFEERN CC[C@@](C)(O)C#C[C@H](O)c1ccc(SC)cc1 ZINC000138260381 347915557 /nfs/dbraw/zinc/91/55/57/347915557.db2.gz RPYQXVHJQWHTIZ-UONOGXRCSA-N 0 0 250.363 2.606 10 30 CFEERN C=CCc1c2c(ccc1O)NC[C@@H]2CCNC(=O)CCC ZINC000139502769 347920904 /nfs/dbraw/zinc/92/09/04/347920904.db2.gz HOBWWNZRZJWSNQ-LBPRGKRZSA-N 0 0 288.391 2.936 10 30 CFEERN CN(C)/C=C1\C(=O)CC[C@@H]1c1ccc(F)c(F)c1 ZINC000144949516 347942376 /nfs/dbraw/zinc/94/23/76/347942376.db2.gz WGOMBUKYXDPRJR-UBYNWHESSA-N 0 0 251.276 2.857 10 30 CFEERN O=C1NC2(CC2)CN1c1ccc(C#Cc2ccccc2)cn1 ZINC000145357856 347943111 /nfs/dbraw/zinc/94/31/11/347943111.db2.gz XRJPGEDKEKFPCC-UHFFFAOYSA-N 0 0 289.338 2.544 10 30 CFEERN C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086790676 179335165 /nfs/dbraw/zinc/33/51/65/179335165.db2.gz XLLWHJDAHWVYCV-BXUZGUMPSA-N 0 0 258.321 2.558 10 30 CFEERN O=CCc1c(Br)cccc1Br ZINC000167263103 348045385 /nfs/dbraw/zinc/04/53/85/348045385.db2.gz HLLGVBMZPQPUPZ-UHFFFAOYSA-N 0 0 277.943 2.953 10 30 CFEERN C[C@H]1COc2ccccc2[C@]1(Br)C#N ZINC000168113956 348047179 /nfs/dbraw/zinc/04/71/79/348047179.db2.gz UZYFCWXUBIOAPD-KWQFWETISA-N 0 0 252.111 2.829 10 30 CFEERN CC#CCNCc1cccc(F)c1Br ZINC000167844882 348047196 /nfs/dbraw/zinc/04/71/96/348047196.db2.gz YNHCYIAZWSKLSV-UHFFFAOYSA-N 0 0 256.118 2.701 10 30 CFEERN COc1cc(C#C[Si](C)(C)C)cc(OC)c1OC ZINC000196219098 348147856 /nfs/dbraw/zinc/14/78/56/348147856.db2.gz AEKBJNCVTPXZCU-UHFFFAOYSA-N 0 0 264.397 2.941 10 30 CFEERN N#Cc1ccc(NC(=O)N2CC(c3cccnc3)C2)cc1 ZINC000219720163 348169195 /nfs/dbraw/zinc/16/91/95/348169195.db2.gz YCBIUQRZWHDASM-UHFFFAOYSA-N 0 0 278.315 2.585 10 30 CFEERN CN[C@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000234450214 348220180 /nfs/dbraw/zinc/22/01/80/348220180.db2.gz NCYYCFDVXMQGNF-SECBINFHSA-N 0 0 259.534 2.887 10 30 CFEERN N#C[C@H](N)c1cc(Br)c(Cl)s1 ZINC000227888374 348191744 /nfs/dbraw/zinc/19/17/44/348191744.db2.gz ARCJXTKVNYEPLN-BYPYZUCNSA-N 0 0 251.536 2.687 10 30 CFEERN C=C(Cl)CNc1cc(Br)nc(C)n1 ZINC000229315517 348200754 /nfs/dbraw/zinc/20/07/54/348200754.db2.gz YRUIFVGTOZXZIA-UHFFFAOYSA-N 0 0 262.538 2.712 10 30 CFEERN C=C(C)CNc1nc(Cl)ncc1Br ZINC000229342261 348200765 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254.289 2.951 10 30 CFEERN C=C(C)CN(CC)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000055206362 373543717 /nfs/dbraw/zinc/54/37/17/373543717.db2.gz JQOYAZXKIJZDQK-CYBMUJFWSA-N 0 0 289.379 2.621 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCCc1ccccc1 ZINC000061888793 373734959 /nfs/dbraw/zinc/73/49/59/373734959.db2.gz HAYFMMKTVNYXFF-LSDHHAIUSA-N 0 0 256.349 2.818 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000061888523 373734984 /nfs/dbraw/zinc/73/49/84/373734984.db2.gz MNNCWBITPWXBAG-UKRRQHHQSA-N 0 0 265.316 2.657 10 30 CFEERN COc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889343 373736291 /nfs/dbraw/zinc/73/62/91/373736291.db2.gz NOCUIRABOPLFRZ-GHMZBOCLSA-N 0 0 259.309 2.509 10 30 CFEERN C=CCC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000065434622 373873622 /nfs/dbraw/zinc/87/36/22/373873622.db2.gz KWNVOEFXELHRPW-ZDUSSCGKSA-N 0 0 279.767 2.686 10 30 CFEERN N#Cc1ccc(Cl)cc1NC(=O)c1ccccn1 ZINC000070268687 374159540 /nfs/dbraw/zinc/15/95/40/374159540.db2.gz ASDVJEHLBXZQJJ-UHFFFAOYSA-N 0 0 257.680 2.859 10 30 CFEERN OCc1cn(Cc2ccccc2)c2c1/C(=N/O)CCC2 ZINC000070451330 374177408 /nfs/dbraw/zinc/17/74/08/374177408.db2.gz PQPAATDYPQUFIJ-SAPNQHFASA-N 0 0 270.332 2.543 10 30 CFEERN N#Cc1nc2ccccc2cc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000334119107 206028336 /nfs/dbraw/zinc/02/83/36/206028336.db2.gz JTGXHPZFIJUJCD-SOUVJXGZSA-N 0 0 293.370 2.704 10 30 CFEERN O=C1c2ccccc2C(=O)N1CCCCCCS ZINC000094586221 375366550 /nfs/dbraw/zinc/36/65/50/375366550.db2.gz NUVFBSOIAXOTOJ-UHFFFAOYSA-N 0 0 263.362 2.773 10 30 CFEERN N#C[C@H](C(=O)c1ccc(F)cc1F)c1ccccn1 ZINC000095082358 375408300 /nfs/dbraw/zinc/40/83/00/375408300.db2.gz YQVNMKQWRDWBNV-NSHDSACASA-N 0 0 258.227 2.850 10 30 CFEERN CC1=C(C)C(=O)C([C@H](C)c2cccnc2)=C(C)C1=O ZINC000100033778 375612153 /nfs/dbraw/zinc/61/21/53/375612153.db2.gz PBWLXDGSIPDOLK-LLVKDONJSA-N 0 0 255.317 2.990 10 30 CFEERN CCc1csc([C@H]2CCCN(C(=O)C(C)(C)C#N)C2)n1 ZINC000113205389 375996727 /nfs/dbraw/zinc/99/67/27/375996727.db2.gz WWXIHUKCUIEHOV-NSHDSACASA-N 0 0 291.420 2.961 10 30 CFEERN C=CCCC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123860141 376987789 /nfs/dbraw/zinc/98/77/89/376987789.db2.gz HMGWPMCCNABGFU-UHFFFAOYSA-N 0 0 261.369 2.575 10 30 CFEERN C[C@H]1CC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)O1 ZINC000133282760 377919147 /nfs/dbraw/zinc/91/91/47/377919147.db2.gz XSXPKAXOVJYWBG-SWLSCSKDSA-N 0 0 288.347 2.875 10 30 CFEERN COc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1C#N ZINC000135039732 378076518 /nfs/dbraw/zinc/07/65/18/378076518.db2.gz VWQVFLZCCAMBTB-MRXNPFEDSA-N 0 0 296.374 2.637 10 30 CFEERN N#Cc1cc(N[C@H]2CCCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000135797430 378163699 /nfs/dbraw/zinc/16/36/99/378163699.db2.gz RXYCOYKBEUQANX-JSGCOSHPSA-N 0 0 275.308 2.572 10 30 CFEERN CS(=O)(=O)OCc1cc(Br)ccc1Cl ZINC000145002871 378249730 /nfs/dbraw/zinc/24/97/30/378249730.db2.gz PQSAPINWQVFCSQ-UHFFFAOYSA-N 0 0 299.573 2.579 10 30 CFEERN C=CCC(CC=C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000151226265 378309672 /nfs/dbraw/zinc/30/96/72/378309672.db2.gz SWIPBWWHQQARDH-GFCCVEGCSA-N 0 0 281.396 2.943 10 30 CFEERN C=CCC(CC=C)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151595362 378340533 /nfs/dbraw/zinc/34/05/33/378340533.db2.gz YLRQQWFCEHDJGS-NVXWUHKLSA-N 0 0 277.408 2.908 10 30 CFEERN Cn1ccnc1CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000154043842 378534127 /nfs/dbraw/zinc/53/41/27/378534127.db2.gz BIYVYXZRYMCXDU-UHFFFAOYSA-N 0 0 294.280 2.965 10 30 CFEERN CC(C)(CS)Cn1cccc(Br)c1=O ZINC000157165603 378651226 /nfs/dbraw/zinc/65/12/26/378651226.db2.gz FVCSTSBNSLYUPA-UHFFFAOYSA-N 0 0 276.199 2.567 10 30 CFEERN CC#CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161190504 378829070 /nfs/dbraw/zinc/82/90/70/378829070.db2.gz TZAKLMREYHTIPW-UONOGXRCSA-N 0 0 283.293 2.836 10 30 CFEERN C=C(C)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000161151382 378825854 /nfs/dbraw/zinc/82/58/54/378825854.db2.gz JBABDCMMUWILRB-DZGCQCFKSA-N 0 0 288.391 2.523 10 30 CFEERN C=C(C)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000161151145 378826341 /nfs/dbraw/zinc/82/63/41/378826341.db2.gz JBABDCMMUWILRB-ZFWWWQNUSA-N 0 0 288.391 2.523 10 30 CFEERN C[C@H]1CC[C@H](NS(=O)(=O)CCCC#N)c2ccccc21 ZINC000162334384 378906694 /nfs/dbraw/zinc/90/66/94/378906694.db2.gz KVULINXKSLPFGX-WFASDCNBSA-N 0 0 292.404 2.848 10 30 CFEERN N#Cc1cc(C(F)(F)F)ccc1NCC(F)(F)CN ZINC000162670449 378924342 /nfs/dbraw/zinc/92/43/42/378924342.db2.gz MYVZFUPFLQOWRR-UHFFFAOYSA-N 0 0 279.212 2.583 10 30 CFEERN CC(C)c1nnc2n1C[C@@H](Nc1cccc(F)c1C#N)CC2 ZINC000170640212 379133159 /nfs/dbraw/zinc/13/31/59/379133159.db2.gz QAJIGYLYFOUFEF-NSHDSACASA-N 0 0 299.353 2.839 10 30 CFEERN C[C@@H](NC(=O)NCCCCC#N)c1cccs1 ZINC000171732118 379387424 /nfs/dbraw/zinc/38/74/24/379387424.db2.gz MORGBAZKKJWOFX-SNVBAGLBSA-N 0 0 251.355 2.802 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175186208 380016530 /nfs/dbraw/zinc/01/65/30/380016530.db2.gz LJGWDACBHDBFKE-UWVGGRQHSA-N 0 0 285.269 2.737 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000336080226 380262332 /nfs/dbraw/zinc/26/23/32/380262332.db2.gz BMHNCMHOLUSYGS-WCBMZHEXSA-N 0 0 283.253 2.522 10 30 CFEERN C[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)O1 ZINC000178289536 380431683 /nfs/dbraw/zinc/43/16/83/380431683.db2.gz WFYCKSZKRALGMI-GZMMTYOYSA-N 0 0 276.361 2.614 10 30 CFEERN N#Cc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c[nH]1 ZINC000181248784 380764802 /nfs/dbraw/zinc/76/48/02/380764802.db2.gz MIFCCTXHGFPZOA-AWEZNQCLSA-N 0 0 285.734 2.957 10 30 CFEERN N#Cc1ccc(N2CCC(c3nccs3)CC2)cn1 ZINC000367971787 380872695 /nfs/dbraw/zinc/87/26/95/380872695.db2.gz FKJBVJPUYNXJKL-UHFFFAOYSA-N 0 0 270.361 2.794 10 30 CFEERN CC(C)c1nc(CNc2nccnc2C#N)cs1 ZINC000301192698 382103250 /nfs/dbraw/zinc/10/32/50/382103250.db2.gz XJIZDXIJWHYNEA-UHFFFAOYSA-N 0 0 259.338 2.540 10 30 CFEERN CCNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301215862 382108576 /nfs/dbraw/zinc/10/85/76/382108576.db2.gz XWYFCVCPTFANIK-UHFFFAOYSA-N 0 0 291.782 2.564 10 30 CFEERN Cc1n[nH]c(C)c1CNc1c(F)cc(C#N)cc1F ZINC000301253506 382123156 /nfs/dbraw/zinc/12/31/56/382123156.db2.gz SMTUHGXTOGFJDV-UHFFFAOYSA-N 0 0 262.263 2.789 10 30 CFEERN N#Cc1nccnc1N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000301375063 382161895 /nfs/dbraw/zinc/16/18/95/382161895.db2.gz VORBZQMFFXIHMJ-RYUDHWBXSA-N 0 0 270.723 2.970 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000302141613 382210500 /nfs/dbraw/zinc/21/05/00/382210500.db2.gz JPJPZQUOUMQDJY-CYBMUJFWSA-N 0 0 290.319 2.579 10 30 CFEERN C=CCO[C@@H]1CCN(c2nc(CC)nc(Cl)c2C)C1 ZINC000302180374 382212542 /nfs/dbraw/zinc/21/25/42/382212542.db2.gz RSQAERKZYXMOIM-LLVKDONJSA-N 0 0 281.787 2.782 10 30 CFEERN C=CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302166224 382212552 /nfs/dbraw/zinc/21/25/52/382212552.db2.gz OXUKTYVFKJQGTL-LBPRGKRZSA-N 0 0 299.330 2.924 10 30 CFEERN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000302682630 382290767 /nfs/dbraw/zinc/29/07/67/382290767.db2.gz AHMOIETVBVSISC-UHFFFAOYSA-N 0 0 289.320 2.547 10 30 CFEERN N#Cc1nc(Oc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000302723136 382302416 /nfs/dbraw/zinc/30/24/16/382302416.db2.gz MEYOVRAPZNEVPO-UHFFFAOYSA-N 0 0 286.203 2.562 10 30 CFEERN CC1CCC(N(C)c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302762383 382312795 /nfs/dbraw/zinc/31/27/95/382312795.db2.gz YNHYHHVEXRYMAK-UHFFFAOYSA-N 0 0 274.324 2.876 10 30 CFEERN N#Cc1nc(NCC2(C3CC3)CCC2)ccc1[N+](=O)[O-] ZINC000302701093 382296769 /nfs/dbraw/zinc/29/67/69/382296769.db2.gz FSWXUIOSWAABHX-UHFFFAOYSA-N 0 0 272.308 2.854 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)C#CBr)cc1 ZINC000306649726 382459882 /nfs/dbraw/zinc/45/98/82/382459882.db2.gz FEBFYUPIRUGTJZ-SNVBAGLBSA-N 0 0 266.138 2.528 10 30 CFEERN C=CCC1(C(=O)N[C@H]2CCCn3nc(CC)nc32)CCC1 ZINC000189215951 382567232 /nfs/dbraw/zinc/56/72/32/382567232.db2.gz PLKNXANGQFYGSG-LBPRGKRZSA-N 0 0 288.395 2.538 10 30 CFEERN CC(C)(C)OC(=O)NCCCC(=NO)c1ccncc1 ZINC000382593096 382533400 /nfs/dbraw/zinc/53/34/00/382533400.db2.gz FBOOJRZVMPVFMV-UHFFFAOYSA-N 0 0 279.340 2.565 10 30 CFEERN CCCCOC[C@H](O)COc1ccc(C#N)cc1Cl ZINC000193244326 382717359 /nfs/dbraw/zinc/71/73/59/382717359.db2.gz QMNDCXKBCWQZMV-LBPRGKRZSA-N 0 0 283.755 2.768 10 30 CFEERN COC(=O)c1c(Cl)ccc(OC(F)F)c1C#N ZINC000575382306 382763039 /nfs/dbraw/zinc/76/30/39/382763039.db2.gz AOTAPXIQXQYILW-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1CC ZINC000575382468 382763106 /nfs/dbraw/zinc/76/31/06/382763106.db2.gz NZJVGTIAVKATHJ-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1ccc(Cl)c(CC)c1C#N ZINC000575382488 382763116 /nfs/dbraw/zinc/76/31/16/382763116.db2.gz QIDBULLOCPHILI-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)c1ccc(OC(F)F)c(Cl)c1C#N ZINC000575382523 382763127 /nfs/dbraw/zinc/76/31/27/382763127.db2.gz VBWKVLLPJQSNQA-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1OC(F)F ZINC000575382552 382763310 /nfs/dbraw/zinc/76/33/10/382763310.db2.gz ZJAXVPLNOVTVQG-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(CC)cc(Cl)c1C#N ZINC000575382500 382763331 /nfs/dbraw/zinc/76/33/31/382763331.db2.gz QYQYYYYKCFDZBD-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(Cl)c1C(F)(F)F ZINC000575383360 382763400 /nfs/dbraw/zinc/76/34/00/382763400.db2.gz RBGXKLVVHWWGJX-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN CCc1c(C(=O)OC)ccc(OC(F)F)c1C#N ZINC000575385361 382763820 /nfs/dbraw/zinc/76/38/20/382763820.db2.gz MTWJIFXTHGHNBQ-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)c1cc(OC(F)F)c(C#N)cc1C(F)F ZINC000575385345 382763897 /nfs/dbraw/zinc/76/38/97/382763897.db2.gz MADWTRGPBQWKSH-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1CC ZINC000575385304 382763910 /nfs/dbraw/zinc/76/39/10/382763910.db2.gz JUUMFIUMMBFARZ-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)c1cc(C#N)cc(OC(F)F)c1C(F)F ZINC000575385402 382764351 /nfs/dbraw/zinc/76/43/51/382764351.db2.gz OLZQFEOQZGFBAT-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCc1cc(OC(F)(F)F)c(C#N)c(C(=O)OC)c1 ZINC000575388744 382765124 /nfs/dbraw/zinc/76/51/24/382765124.db2.gz BNSSBYRIKQGCKQ-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1ccc(C#N)c(C(=O)OC)c1OC(F)(F)F ZINC000575388961 382765292 /nfs/dbraw/zinc/76/52/92/382765292.db2.gz NFFGMVVOBIPFPZ-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(C(F)(F)F)c(CC(=O)OC)cc1C#N ZINC000575389556 382765794 /nfs/dbraw/zinc/76/57/94/382765794.db2.gz IQOFGEOECCXCHM-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1C(F)F ZINC000575389453 382765838 /nfs/dbraw/zinc/76/58/38/382765838.db2.gz NCQPVUQIKUJYII-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1c(CC(=O)OC)ccc(C#N)c1C(F)F ZINC000575389722 382766020 /nfs/dbraw/zinc/76/60/20/382766020.db2.gz MJZIFNCXTRIEMU-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C(F)F)cc1C#N ZINC000575389999 382766118 /nfs/dbraw/zinc/76/61/18/382766118.db2.gz ZFCKYSVDJBRLRP-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1cc(F)c(OC(F)(F)F)cc1C#N ZINC000575390418 382766181 /nfs/dbraw/zinc/76/61/81/382766181.db2.gz KFTVQFKVOHQQTD-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1F ZINC000575390515 382766438 /nfs/dbraw/zinc/76/64/38/382766438.db2.gz ROLZMGUBDRBMGT-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC(F)(F)F)c1F ZINC000575390461 382766514 /nfs/dbraw/zinc/76/65/14/382766514.db2.gz NWPHUFVSEKCCEZ-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CC(=O)Nc1ccc(NC(=NC#N)Oc2ccccc2)cc1 ZINC000219400626 382793752 /nfs/dbraw/zinc/79/37/52/382793752.db2.gz LTZYHLNOPQIYQP-UHFFFAOYSA-N 0 0 294.314 2.782 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)cc(C#N)c1O ZINC000575392027 382767204 /nfs/dbraw/zinc/76/72/04/382767204.db2.gz LUMSGWXAYJHXQC-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1ccc(C#N)c(OC(F)(F)F)c1C ZINC000575394308 382768012 /nfs/dbraw/zinc/76/80/12/382768012.db2.gz BPUJKDZKJDEXIB-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1ccc(C)c(C#N)c1C(F)(F)F ZINC000575394726 382768138 /nfs/dbraw/zinc/76/81/38/382768138.db2.gz MQZSGZKEVJHLQJ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)c(OC)cc1C#N ZINC000575394597 382768278 /nfs/dbraw/zinc/76/82/78/382768278.db2.gz MMNHNHBEEQYJNQ-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN COC(=O)c1c(C)cc(OC(F)(F)F)cc1C#N ZINC000575394736 382768304 /nfs/dbraw/zinc/76/83/04/382768304.db2.gz MURQNUVJRWDJGO-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)Cc1c(C)ccc(C(F)(F)F)c1C#N ZINC000575395189 382768815 /nfs/dbraw/zinc/76/88/15/382768815.db2.gz RKUHPMBAKMUSCK-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN N#CCc1ccnc(OC(F)F)c1C(F)(F)F ZINC000575396850 382769129 /nfs/dbraw/zinc/76/91/29/382769129.db2.gz MJDYGXQOMMMXBM-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1ncc(C(F)(F)F)cc1OC(F)F ZINC000575396944 382769139 /nfs/dbraw/zinc/76/91/39/382769139.db2.gz YHKAMRCEOIFGDZ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1cnc(C(F)(F)F)c(OC(F)F)c1 ZINC000575396917 382769267 /nfs/dbraw/zinc/76/92/67/382769267.db2.gz KLEYRTKZTFMDOE-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CCOC(=O)C(=O)/C=C/c1ccccc1Br ZINC000199902469 382772479 /nfs/dbraw/zinc/77/24/79/382772479.db2.gz NPDGYSCDQMZWRU-BQYQJAHWSA-N 0 0 283.121 2.595 10 30 CFEERN CCOc1c(C#N)cc(CC#N)cc1OC(F)F ZINC000575639585 382776362 /nfs/dbraw/zinc/77/63/62/382776362.db2.gz SEDGCXYTSJVQPI-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN N#CCc1cc(N)cc(OC(F)F)c1Br ZINC000575714019 382794644 /nfs/dbraw/zinc/79/46/44/382794644.db2.gz IZKVJBVHTCGBCI-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCc1c(CC#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575658573 382780470 /nfs/dbraw/zinc/78/04/70/382780470.db2.gz CGBDIEAPXMMZPV-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCOc1cc(OC(F)F)cc(CC#N)c1OC ZINC000575659033 382780696 /nfs/dbraw/zinc/78/06/96/382780696.db2.gz ZLRSCYYGBJKHHD-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1c(N)ccc(Br)c1Br ZINC000575716000 382794946 /nfs/dbraw/zinc/79/49/46/382794946.db2.gz DRSQUFKGSMWMCV-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#Cc1ccc(OC(F)F)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575667917 382782800 /nfs/dbraw/zinc/78/28/00/382782800.db2.gz PGWUXNCURTXNKZ-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575669969 382783599 /nfs/dbraw/zinc/78/35/99/382783599.db2.gz AWEOQPCPISUYMX-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1cc(F)cc(I)c1C#N ZINC000575671426 382783904 /nfs/dbraw/zinc/78/39/04/382783904.db2.gz XSLFSXGVAWRZHH-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN N#CC1(c2ccc(OC(F)(F)F)cc2)CC(O)C1 ZINC000216776972 382784910 /nfs/dbraw/zinc/78/49/10/382784910.db2.gz BKNFZDQEDAEWTL-UHFFFAOYSA-N 0 0 257.211 2.501 10 30 CFEERN N#Cc1ccc([N+](=O)[O-])c(Cl)c1Br ZINC000575678704 382785228 /nfs/dbraw/zinc/78/52/28/382785228.db2.gz YCRJVJAYSKXMAL-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#CCc1c(Br)cc(O)cc1OC(F)F ZINC000575681772 382786154 /nfs/dbraw/zinc/78/61/54/382786154.db2.gz BRPFKJCXHMWTPZ-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#Cc1cc(Br)cc([N+](=O)[O-])c1OC(F)F ZINC000575684008 382787110 /nfs/dbraw/zinc/78/71/10/382787110.db2.gz CTKGMWNKPRRTAQ-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN Cc1c(I)ccc(CC#N)c1F ZINC000575704599 382792038 /nfs/dbraw/zinc/79/20/38/382792038.db2.gz FBWWKWHYPRVMJX-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1Br ZINC000575341602 382759379 /nfs/dbraw/zinc/75/93/79/382759379.db2.gz GYWJCSHHVOBRCL-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN N#Cc1c(C(F)(F)F)cc(C(N)=O)cc1C(F)(F)F ZINC000575341359 382759442 /nfs/dbraw/zinc/75/94/42/382759442.db2.gz VAAKNNHMHHSRLF-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN CCOC(=O)Cc1cc(Br)c(C#N)c(CC)c1 ZINC000575341624 382759500 /nfs/dbraw/zinc/75/95/00/382759500.db2.gz PZAKWGVKOCRAFY-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1OC ZINC000575343554 382759689 /nfs/dbraw/zinc/75/96/89/382759689.db2.gz IBKJTLUWDDHPPO-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN COC(=O)Cc1c(C#N)cc(Cl)cc1OC(F)F ZINC000575343046 382759780 /nfs/dbraw/zinc/75/97/80/382759780.db2.gz XMRGIYSNYNJVKR-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC)c(C(F)F)c1 ZINC000575343656 382759967 /nfs/dbraw/zinc/75/99/67/382759967.db2.gz WUBUSFFXMFLRKZ-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575343896 382759975 /nfs/dbraw/zinc/75/99/75/382759975.db2.gz IWDZZXOTSGZLSN-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1C(F)F ZINC000575344220 382760077 /nfs/dbraw/zinc/76/00/77/382760077.db2.gz WBPDDCHWJZHLAQ-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1 ZINC000575345010 382760276 /nfs/dbraw/zinc/76/02/76/382760276.db2.gz OHNUXWQDZPECFH-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)ccc1C#N ZINC000575345176 382760438 /nfs/dbraw/zinc/76/04/38/382760438.db2.gz CNZCANQITNFLGU-UHFFFAOYSA-N 0 0 257.211 2.683 10 30 CFEERN CCOC(=O)CCCC(=O)c1ccc(F)c(C#N)c1 ZINC000575361960 382761332 /nfs/dbraw/zinc/76/13/32/382761332.db2.gz VOFFDNZLVNBLJZ-UHFFFAOYSA-N 0 0 263.268 2.613 10 30 CFEERN C[Si](C)(C)C#Cc1cnc(N)c(Br)c1 ZINC000223431533 382805350 /nfs/dbraw/zinc/80/53/50/382805350.db2.gz GTPIVKFHEIDILB-UHFFFAOYSA-N 0 0 269.218 2.655 10 30 CFEERN C=CCN1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000224030822 382808876 /nfs/dbraw/zinc/80/88/76/382808876.db2.gz PYTOHFZVJOSPMI-UHFFFAOYSA-N 0 0 299.494 2.619 10 30 CFEERN Cc1ccc(-c2ccc(/C=C/C(=O)NO)o2)cc1[N+](=O)[O-] ZINC000226290541 382826080 /nfs/dbraw/zinc/82/60/80/382826080.db2.gz NMEJODXATJTHDY-FNORWQNLSA-N 0 0 288.259 2.682 10 30 CFEERN C#C[C@@H](C)Nc1ccc(OC)c(Br)c1 ZINC000229537217 382852019 /nfs/dbraw/zinc/85/20/19/382852019.db2.gz SWRAXFCNQFSBKN-MRVPVSSYSA-N 0 0 254.127 2.891 10 30 CFEERN C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CCCO1 ZINC000235215960 382877688 /nfs/dbraw/zinc/87/76/88/382877688.db2.gz AKJQOXSESNERFN-RNFRBKRXSA-N 0 0 257.746 2.648 10 30 CFEERN CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235187991 382877787 /nfs/dbraw/zinc/87/77/87/382877787.db2.gz BHWHXTOYRHBRKR-NXEZZACHSA-N 0 0 292.364 2.948 10 30 CFEERN C#CC[C@@H](O)c1cccc(C)c1I ZINC000235810276 382888744 /nfs/dbraw/zinc/88/87/44/382888744.db2.gz BAZNAIARDLYNFJ-SNVBAGLBSA-N 0 0 286.112 2.656 10 30 CFEERN N#CC(=NOCC(=O)Nc1ccccc1)c1ccccc1 ZINC000254301995 383466396 /nfs/dbraw/zinc/46/63/96/383466396.db2.gz PVNKDFRYJHVPLW-UHFFFAOYSA-N 0 0 279.299 2.570 10 30 CFEERN CC(=NOC(=O)CCc1ccccc1)c1ccccn1 ZINC000254524250 383468200 /nfs/dbraw/zinc/46/82/00/383468200.db2.gz LYJYABOPPGEVHD-UHFFFAOYSA-N 0 0 268.316 2.982 10 30 CFEERN N#Cc1ccc(CSc2nnc(-c3cnccn3)o2)cc1 ZINC000001378707 169696621 /nfs/dbraw/zinc/69/66/21/169696621.db2.gz KNTDYONTKGCDMZ-UHFFFAOYSA-N 0 0 295.327 2.691 10 30 CFEERN COc1cccc(NN=C2C=Cc3cccnc3C2=O)c1 ZINC000100478898 533574773 /nfs/dbraw/zinc/57/47/73/533574773.db2.gz MHPVCJYXXJOPIV-XMHGGMMESA-N 0 0 279.299 2.768 10 30 CFEERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H](C)C2 ZINC000181238513 413054858 /nfs/dbraw/zinc/05/48/58/413054858.db2.gz PXBSSYFCQMTOTA-SJCJKPOMSA-N 0 0 291.354 2.925 10 30 CFEERN C#C[C@@H](C)NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000186090875 393540269 /nfs/dbraw/zinc/54/02/69/393540269.db2.gz HIXJZJJJIMSPOW-YPMHNXCESA-N 0 0 272.348 2.610 10 30 CFEERN Cc1cccc(C(=N)NOC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000020407936 393486335 /nfs/dbraw/zinc/48/63/35/393486335.db2.gz UKZRKUPNBNBENA-CYBMUJFWSA-N 0 0 298.342 2.626 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182607455 393511653 /nfs/dbraw/zinc/51/16/53/393511653.db2.gz SHSCTWFGRVLQFB-BDAKNGLRSA-N 0 0 283.734 2.999 10 30 CFEERN CS(=O)(=O)OC1CCC(c2ccccc2)CC1 ZINC000038340122 393538803 /nfs/dbraw/zinc/53/88/03/393538803.db2.gz PBJQZZOGJPBGNO-UHFFFAOYSA-N 0 0 254.351 2.689 10 30 CFEERN Cc1cc(C#N)ccc1CSCc1nnnn1C(C)C ZINC000186084448 393539284 /nfs/dbraw/zinc/53/92/84/393539284.db2.gz VZOJUTOKRNQCSG-UHFFFAOYSA-N 0 0 287.392 2.868 10 30 CFEERN CC(C)[C@@H](C)NC(=O)CSCc1ccc(C#N)cc1 ZINC000046805053 393580238 /nfs/dbraw/zinc/58/02/38/393580238.db2.gz LHWKDZLIBVLELE-GFCCVEGCSA-N 0 0 276.405 2.952 10 30 CFEERN CC(C)(C)OC(=O)Cn1ccc2cc(C#N)ccc21 ZINC000222946085 393764059 /nfs/dbraw/zinc/76/40/59/393764059.db2.gz NYIYPZWMHKYZQQ-UHFFFAOYSA-N 0 0 256.305 2.855 10 30 CFEERN CCOCCN1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1CC ZINC000121021598 393946178 /nfs/dbraw/zinc/94/61/78/393946178.db2.gz IRQPJPHJFNPWKV-INIZCTEOSA-N 0 0 295.471 2.749 10 30 CFEERN CN(C)c1ccc(C=Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000263631477 393963854 /nfs/dbraw/zinc/96/38/54/393963854.db2.gz OVWYHWQRJZASLZ-UHFFFAOYSA-N 0 0 280.331 2.673 10 30 CFEERN C=CCCOCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000155451689 394316931 /nfs/dbraw/zinc/31/69/31/394316931.db2.gz UYFIBJMNYLWMSW-GJZGRUSLSA-N 0 0 265.397 2.912 10 30 CFEERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)CCCC#N)o1 ZINC000173717550 394376584 /nfs/dbraw/zinc/37/65/84/394376584.db2.gz VYROKEWZBCXXSA-ZDUSSCGKSA-N 0 0 296.392 2.749 10 30 CFEERN Cc1ccc(C=NNc2cn[nH]c(=O)c2Cl)cc1 ZINC000008828450 292041615 /nfs/dbraw/zinc/04/16/15/292041615.db2.gz MVSNMQXIQQNOLO-MKMNVTDBSA-N 0 0 262.700 2.590 10 30 CFEERN C=C(C)C(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405527237 543019756 /nfs/dbraw/zinc/01/97/56/543019756.db2.gz YDBKMWDCDMMPMT-AWEZNQCLSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000405693032 543022824 /nfs/dbraw/zinc/02/28/24/543022824.db2.gz RJGFCOUDCNSAGM-MNOVXSKESA-N 0 0 253.342 2.825 10 30 CFEERN O=C(Nc1nc2cccnc2[nH]1)[C@@H]1CCC(F)(F)C1 ZINC000330110264 296535708 /nfs/dbraw/zinc/53/57/08/296535708.db2.gz QJZPKMRZUZOYNB-SSDOTTSWSA-N 0 0 266.251 2.981 10 30 CFEERN CN(CC1CCCCC1)C(=O)c1ccc(C#CCO)s1 ZINC000048997000 522651837 /nfs/dbraw/zinc/65/18/37/522651837.db2.gz NOKHRYFEGGWZPW-UHFFFAOYSA-N 0 0 291.416 2.744 10 30 CFEERN Cc1cc(C)c(C#N)c(N[C@@H](C)c2nnc3n2CCCC3)n1 ZINC000368108142 156436220 /nfs/dbraw/zinc/43/62/20/156436220.db2.gz IRCOUKXVEQTHSD-LBPRGKRZSA-N 0 0 296.378 2.671 10 30 CFEERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCC(=O)NC2)C1(C)C ZINC000329950387 287167197 /nfs/dbraw/zinc/16/71/97/287167197.db2.gz HTHILEDQJAPBOC-OUAUKWLOSA-N 0 0 280.368 2.703 10 30 CFEERN C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1(C)C ZINC000329950384 287167310 /nfs/dbraw/zinc/16/73/10/287167310.db2.gz HTHILEDQJAPBOC-GMTAPVOTSA-N 0 0 280.368 2.703 10 30 CFEERN C=CCN(CCC#N)c1cc(NC(C)=O)ccc1OC ZINC000005137980 170070131 /nfs/dbraw/zinc/07/01/31/170070131.db2.gz KMMWJCUYQJFHNH-UHFFFAOYSA-N 0 0 273.336 2.560 10 30 CFEERN CCOC(=O)N=C(Nc1cccnc1)NC(C)(C)CC ZINC000005315181 170085268 /nfs/dbraw/zinc/08/52/68/170085268.db2.gz ZXZNOYYBACIEFA-UHFFFAOYSA-N 0 0 278.356 2.784 10 30 CFEERN O=S(=O)(NN=C1CCCCC1)c1ccc(Cl)cc1 ZINC000005675339 170127275 /nfs/dbraw/zinc/12/72/75/170127275.db2.gz GTAOSIPWAREIDL-UHFFFAOYSA-N 0 0 286.784 2.938 10 30 CFEERN C=CCSCC(=O)Nc1nnc(C(C)C)s1 ZINC000006201634 170181917 /nfs/dbraw/zinc/18/19/17/170181917.db2.gz BEHFNKMJIGUCSC-UHFFFAOYSA-N 0 0 257.384 2.519 10 30 CFEERN C[C@@H](Sc1nncs1)C(=O)Nc1ccc(C#N)cc1 ZINC000007194817 170271035 /nfs/dbraw/zinc/27/10/35/170271035.db2.gz NQUMUZVDQTVAAX-MRVPVSSYSA-N 0 0 290.373 2.529 10 30 CFEERN CCCCCC(=O)NC(=S)Nc1cccc(C#N)c1 ZINC000007445580 170285150 /nfs/dbraw/zinc/28/51/50/170285150.db2.gz IFJXMDVDPZOCCZ-UHFFFAOYSA-N 0 0 275.377 2.952 10 30 CFEERN C=CCNC(=S)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000007531340 170289514 /nfs/dbraw/zinc/28/95/14/170289514.db2.gz VASSTAMHOREVMB-UHFFFAOYSA-N 0 0 291.420 2.641 10 30 CFEERN C=CCNC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000007610898 170293826 /nfs/dbraw/zinc/29/38/26/170293826.db2.gz MBMFQBMKWMAKBI-UHFFFAOYSA-N 0 0 292.404 2.512 10 30 CFEERN C=CCNC(=O)c1cc2c(nc3sccn23)s1 ZINC000009156749 170365097 /nfs/dbraw/zinc/36/50/97/170365097.db2.gz QKSNSUPKHNLHNO-UHFFFAOYSA-N 0 0 263.347 2.526 10 30 CFEERN C=C(C)COc1ccccc1NC(=O)CC(=O)OCC ZINC000009823179 170386571 /nfs/dbraw/zinc/38/65/71/170386571.db2.gz XKCAVRMEFDKPLS-UHFFFAOYSA-N 0 0 277.320 2.533 10 30 CFEERN Cn1ncc(C#N)c1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000011226354 170416748 /nfs/dbraw/zinc/41/67/48/170416748.db2.gz ZMEHQZANOWXBOV-QPJJXVBHSA-N 0 0 286.722 2.597 10 30 CFEERN 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C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000230058149 524155535 /nfs/dbraw/zinc/15/55/35/524155535.db2.gz NXVASFAOHGJBKD-HZMBPMFUSA-N 0 0 253.305 2.805 10 30 CFEERN COc1ccc(Nc2ncc(N)cc2C#N)cc1C ZINC000049529118 524721458 /nfs/dbraw/zinc/72/14/58/524721458.db2.gz SCQYGFWFYNQWOV-UHFFFAOYSA-N 0 0 254.293 2.596 10 30 CFEERN C[C@H](NC(=O)C1CCCCC1)c1cccc(C#CCO)c1 ZINC000049588915 524912338 /nfs/dbraw/zinc/91/23/38/524912338.db2.gz TUBMAZRTUMQTOW-AWEZNQCLSA-N 0 0 285.387 2.788 10 30 CFEERN COc1ccc(OCc2ccc(C#CCO)cc2)cc1 ZINC000049620544 524974298 /nfs/dbraw/zinc/97/42/98/524974298.db2.gz HCJHTRQYXDBLDK-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN COc1ccc(OCc2ccc(C#CCO)cc2F)cc1 ZINC000049620546 524975784 /nfs/dbraw/zinc/97/57/84/524975784.db2.gz HPBABDKFIUFZHU-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN C[C@H](NC(=O)c1ccco1)c1cccc(C#CCCO)c1 ZINC000049589645 525246799 /nfs/dbraw/zinc/24/67/99/525246799.db2.gz ZFDWLUOPSCRZRW-ZDUSSCGKSA-N 0 0 283.327 2.505 10 30 CFEERN Cc1cc(NCc2ccncc2C)c(C#N)c(C)n1 ZINC000228694490 525281350 /nfs/dbraw/zinc/28/13/50/525281350.db2.gz JMNYHTZUQYEILX-UHFFFAOYSA-N 0 0 252.321 2.886 10 30 CFEERN Cc1ccc(OCCOC(C)C)c(C#CCCO)c1 ZINC000049260958 525422857 /nfs/dbraw/zinc/42/28/57/525422857.db2.gz OEZQLDSLLRNVKU-UHFFFAOYSA-N 0 0 262.349 2.533 10 30 CFEERN C[C@H](O)[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000094654033 525839277 /nfs/dbraw/zinc/83/92/77/525839277.db2.gz IUXUVTZOXMDGFK-YUMQZZPRSA-N 0 0 258.243 2.758 10 30 CFEERN C[C@@H](O)c1ccc(N(C)CCC#N)c(Br)c1 ZINC000061694950 525868553 /nfs/dbraw/zinc/86/85/53/525868553.db2.gz PONSPLUBEZTNJB-SECBINFHSA-N 0 0 283.169 2.852 10 30 CFEERN CS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235138740 525913982 /nfs/dbraw/zinc/91/39/82/525913982.db2.gz URTSHUOMKOFMHW-IUCAKERBSA-N 0 0 278.337 2.557 10 30 CFEERN Cc1ccc(C(=O)N[C@H](C)c2cccc(C#CCO)c2)s1 ZINC000049588970 526210861 /nfs/dbraw/zinc/21/08/61/526210861.db2.gz RDNYOGVIKACZDF-CYBMUJFWSA-N 0 0 299.395 2.891 10 30 CFEERN C[C@H]1CCCN(C(=O)c2cccc(C#CCCO)c2)[C@H]1C ZINC000050568472 526267375 /nfs/dbraw/zinc/26/73/75/526267375.db2.gz OUXNOMMIFNILPH-GJZGRUSLSA-N 0 0 285.387 2.681 10 30 CFEERN Cc1nn(Cc2ccc(F)c(C#CCCO)c2)c(C)c1C ZINC000049619589 526290597 /nfs/dbraw/zinc/29/05/97/526290597.db2.gz QBFNIGNHTVOIAU-UHFFFAOYSA-N 0 0 286.350 2.730 10 30 CFEERN SCc1nnc(-c2ccc(Br)cc2)o1 ZINC000057965701 526387751 /nfs/dbraw/zinc/38/77/51/526387751.db2.gz MGBNZUMYKMMHJH-UHFFFAOYSA-N 0 0 271.139 2.929 10 30 CFEERN N#CCC(=O)Nc1cc(Br)ccc1Cl ZINC000061692627 526441584 /nfs/dbraw/zinc/44/15/84/526441584.db2.gz BXOXCXNATNOKRP-UHFFFAOYSA-N 0 0 273.517 2.955 10 30 CFEERN N#C[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000054206107 526510338 /nfs/dbraw/zinc/51/03/38/526510338.db2.gz QUBWEQWLWLEOPC-ZDUSSCGKSA-N 0 0 272.254 2.959 10 30 CFEERN N#Cc1cc(Sc2nc3cc(N)ccc3[nH]2)ccn1 ZINC000061812859 526576653 /nfs/dbraw/zinc/57/66/53/526576653.db2.gz IYNXWJMMVXOBPB-UHFFFAOYSA-N 0 0 267.317 2.563 10 30 CFEERN N#Cc1ccc(C(=O)CN2Cc3ccccc3C2)cc1 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526820251 /nfs/dbraw/zinc/82/02/51/526820251.db2.gz LCGDPCHBPIVEDP-OAHLLOKOSA-N 0 0 284.359 2.508 10 30 CFEERN O=C(Nc1cc(C#CCO)ccc1Cl)C1CCCC1 ZINC000061691577 527102897 /nfs/dbraw/zinc/10/28/97/527102897.db2.gz IGIOWKNLICVWFS-UHFFFAOYSA-N 0 0 277.751 2.813 10 30 CFEERN OCC#Cc1cc(Cn2ncc3ccccc32)ccc1F ZINC000050527453 527517417 /nfs/dbraw/zinc/51/74/17/527517417.db2.gz VGBFAIYJKCNJHH-UHFFFAOYSA-N 0 0 280.302 2.568 10 30 CFEERN OCCC#Cc1csc(Cn2ncc3ccccc32)c1 ZINC000050527425 527531631 /nfs/dbraw/zinc/53/16/31/527531631.db2.gz BHXNRRCHOHVOGS-UHFFFAOYSA-N 0 0 282.368 2.880 10 30 CFEERN C[C@@H](Nc1ccc(C#N)cc1Br)[C@H](C)O ZINC000235569383 618377073 /nfs/dbraw/zinc/37/70/73/618377073.db2.gz XUEPSARTZNSGIQ-SFYZADRCSA-N 0 0 269.142 2.502 10 30 CFEERN C[C@@H](NC(=O)C#Cc1ccccc1)c1cccs1 ZINC000175935737 618079943 /nfs/dbraw/zinc/07/99/43/618079943.db2.gz WBKTZPAGWJTDDW-GFCCVEGCSA-N 0 0 255.342 2.977 10 30 CFEERN COc1ccc(O)c(/C=N\[C@@H]2COc3ccccc32)c1 ZINC000255117465 617967352 /nfs/dbraw/zinc/96/73/52/617967352.db2.gz BBVMGLZGBCKPNP-KDVQLTRESA-N 0 0 269.300 2.953 10 30 CFEERN C=C(C)CNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188564637 617983237 /nfs/dbraw/zinc/98/32/37/617983237.db2.gz XWQDOSIUYPZYRK-ZDUSSCGKSA-N 0 0 260.337 2.694 10 30 CFEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000234104802 617993262 /nfs/dbraw/zinc/99/32/62/617993262.db2.gz HQTQVHPEGKNJNG-GXFFZTMASA-N 0 0 278.739 2.965 10 30 CFEERN C=CCCCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132679869 618008924 /nfs/dbraw/zinc/00/89/24/618008924.db2.gz DWPHNCOXUZURHW-LBPRGKRZSA-N 0 0 283.368 2.753 10 30 CFEERN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)C1CCOCC1 ZINC000187615863 618073887 /nfs/dbraw/zinc/07/38/87/618073887.db2.gz IDGGIWPNXHUMLV-WFASDCNBSA-N 0 0 270.369 2.574 10 30 CFEERN C#CCOCCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000161557420 618134658 /nfs/dbraw/zinc/13/46/58/618134658.db2.gz PALWPEVESNFWIY-CJNGLKHVSA-N 0 0 271.360 2.781 10 30 CFEERN C#CCCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179321263 618259244 /nfs/dbraw/zinc/25/92/44/618259244.db2.gz ODZBRMWXBFSSNP-HNNXBMFYSA-N 0 0 274.339 2.916 10 30 CFEERN Cc1ccc(N2C[C@@H](C#N)S(=O)(=O)c3ccccc32)cc1 ZINC000067172824 618360892 /nfs/dbraw/zinc/36/08/92/618360892.db2.gz XFCDRQNGJXIFQB-CQSZACIVSA-N 0 0 298.367 2.813 10 30 CFEERN N#CC1(NS(=O)(=O)/C=C\c2ccccc2)CCCCC1 ZINC000255907409 618654682 /nfs/dbraw/zinc/65/46/82/618654682.db2.gz IQGHPGXBVMUWKL-XFXZXTDPSA-N 0 0 290.388 2.803 10 30 CFEERN Cc1sc(Cl)nc1C(=O)O[C@@H]1CCC[C@H]1C#N ZINC000892898664 618765204 /nfs/dbraw/zinc/76/52/04/618765204.db2.gz CXVYEEYBZYBBMZ-JGVFFNPUSA-N 0 0 270.741 2.954 10 30 CFEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000143925476 620001680 /nfs/dbraw/zinc/00/16/80/620001680.db2.gz RJTPMPGPSCKUMM-SNVBAGLBSA-N 0 0 293.317 2.971 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(Br)n1 ZINC000164225777 622942021 /nfs/dbraw/zinc/94/20/21/622942021.db2.gz PJKJOYISNYCBOH-ONGXEEELSA-N 0 0 280.169 2.626 10 30 CFEERN C#CCOCCC(=O)O[C@@H](C)c1ccccc1OCC ZINC000165980258 622998889 /nfs/dbraw/zinc/99/88/89/622998889.db2.gz IWNNARFYJATULX-ZDUSSCGKSA-N 0 0 276.332 2.729 10 30 CFEERN C#Cc1cccc(N(C(=O)[C@H]2CC[C@@H](C)O2)C(C)C)c1 ZINC000154754003 624451430 /nfs/dbraw/zinc/45/14/30/624451430.db2.gz KHJKYJUIOUVGGK-CZUORRHYSA-N 0 0 271.360 2.977 10 30 CFEERN CC(C)(C#N)COC(=O)C1(c2ccccc2)CCOCC1 ZINC000180158045 624999325 /nfs/dbraw/zinc/99/93/25/624999325.db2.gz ZPGUDEHYAMSHEP-UHFFFAOYSA-N 0 0 287.359 2.828 10 30 CFEERN C=C[C@H](CC)OC(=O)Cn1ccc(=O)c2ccccc21 ZINC000181212733 625078150 /nfs/dbraw/zinc/07/81/50/625078150.db2.gz KJNRZHFDDWHLKW-GFCCVEGCSA-N 0 0 271.316 2.509 10 30 CFEERN C=CCOc1ccc(OC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000158025101 650220349 /nfs/dbraw/zinc/22/03/49/650220349.db2.gz VBRSAIKZVNOUFH-SMDDNHRTSA-N 0 0 262.305 2.724 10 30 CFEERN C#Cc1cccc(NC(=O)C(=O)N[C@H](C)c2cccs2)c1 ZINC000048878930 650281704 /nfs/dbraw/zinc/28/17/04/650281704.db2.gz ANSGZKDZKZOZOE-LLVKDONJSA-N 0 0 298.367 2.545 10 30 CFEERN CCCCCCCC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000117284743 636829172 /nfs/dbraw/zinc/82/91/72/636829172.db2.gz JRMPBUSSMSLPHY-HNNXBMFYSA-N 0 0 284.444 2.526 10 30 CFEERN COc1ccc(C(=O)/C(=C/N(C)C)n2nc(C)cc2C)cc1 ZINC000083260020 650763559 /nfs/dbraw/zinc/76/35/59/650763559.db2.gz XGVMRVWLJDPJIB-WJDWOHSUSA-N 0 0 299.374 2.751 10 30 CFEERN C[C@@H](O)[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000094654032 650961124 /nfs/dbraw/zinc/96/11/24/650961124.db2.gz IUXUVTZOXMDGFK-HTQZYQBOSA-N 0 0 258.243 2.758 10 30 CFEERN N#CC(=CC1NN=C2CCCCCN21)C(=O)c1ccccc1 ZINC000094992704 650967276 /nfs/dbraw/zinc/96/72/76/650967276.db2.gz ZUKUIPDQLSWKND-HNDQUVLASA-N 0 0 294.358 2.643 10 30 CFEERN CC(=O)[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133577373 646162103 /nfs/dbraw/zinc/16/21/03/646162103.db2.gz DOPQLDQLKWRXIA-NSHDSACASA-N 0 0 264.275 2.642 10 30 CFEERN N#Cc1ccc(OC2CC2)cc1I ZINC000095736134 185024021 /nfs/dbraw/zinc/02/40/21/185024021.db2.gz ZYAFAQHWLWEMFO-UHFFFAOYSA-N 0 0 285.084 2.704 10 30 CFEERN N#CCc1cn2cc(Cl)cc(Br)c2n1 ZINC000082693906 178188540 /nfs/dbraw/zinc/18/85/40/178188540.db2.gz ZMXGXKDVPNYEAN-UHFFFAOYSA-N 0 0 270.517 2.816 10 30 CFEERN CC(C)(C)[C@H](O)COc1cc(Cl)ccc1C#N ZINC000289991283 197554094 /nfs/dbraw/zinc/55/40/94/197554094.db2.gz DJKJAJUQRSAYBM-GFCCVEGCSA-N 0 0 253.729 2.997 10 30 CFEERN Cc1nn(C)c(C)c1CNc1cc(C)nc(C)c1C#N ZINC000127355060 187299106 /nfs/dbraw/zinc/29/91/06/187299106.db2.gz FSSZKXSESRXSHO-UHFFFAOYSA-N 0 0 269.352 2.533 10 30 CFEERN COc1ccc(/C=N/[C@@H](CO)Cc2ccccc2)cc1 ZINC000003631488 346208862 /nfs/dbraw/zinc/20/88/62/346208862.db2.gz GDRSZTYRHKJXRC-YAJBTMAUSA-N 0 0 269.344 2.718 10 30 CFEERN N#Cc1cc(NC2CC(CO)C2)ccc1C(F)(F)F ZINC000596566570 349942972 /nfs/dbraw/zinc/94/29/72/349942972.db2.gz DUCVHCMRYBMNBT-UHFFFAOYSA-N 0 0 270.254 2.760 10 30 CFEERN Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCCCC3)cc21 ZINC000085346152 179029049 /nfs/dbraw/zinc/02/90/49/179029049.db2.gz OIZXWSRLCSXOAQ-UHFFFAOYSA-N 0 0 299.349 2.930 10 30 CFEERN C[S@](=O)c1sc(C#N)c2c1C(=O)CC(C)(C)C2 ZINC000034171161 346314746 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CFEERN O=C(c1cscc1Br)C1=COCC1 ZINC000404816991 348594660 /nfs/dbraw/zinc/59/46/60/348594660.db2.gz QHWFQPQXNONVSG-UHFFFAOYSA-N 0 0 259.124 2.998 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC2(CC2)C1 ZINC000400370242 348572677 /nfs/dbraw/zinc/57/26/77/348572677.db2.gz GAYDVMUOFCMAHU-UHFFFAOYSA-N 0 0 267.254 2.962 10 30 CFEERN N#Cc1ccccc1C#C[C@@](O)(C1CCC1)C1(C#N)CC1 ZINC000584598564 348684422 /nfs/dbraw/zinc/68/44/22/348684422.db2.gz AYLCDKZNUJFIIT-GOSISDBHSA-N 0 0 276.339 2.745 10 30 CFEERN N#C[C@H](CC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000584599359 348685030 /nfs/dbraw/zinc/68/50/30/348685030.db2.gz CMOKUAVOZDPEGE-JTQLQIEISA-N 0 0 272.226 2.757 10 30 CFEERN COc1ccc(/C(=N\O)c2ccccc2F)c(O)c1 ZINC000584605079 348686844 /nfs/dbraw/zinc/68/68/44/348686844.db2.gz LUGPWMPWBSDHTA-PEZBUJJGSA-N 0 0 261.252 2.767 10 30 CFEERN COC/C(=N/O)c1ccc(OC(F)(F)F)c(F)c1 ZINC000584603612 348687345 /nfs/dbraw/zinc/68/73/45/348687345.db2.gz DJMUFIVHMRCZAA-NVNXTCNLSA-N 0 0 267.178 2.549 10 30 CFEERN N#Cc1nccc2cc(N[C@H](CO)CC(F)(F)F)ccc12 ZINC000584619901 348691890 /nfs/dbraw/zinc/69/18/90/348691890.db2.gz KLUXTJPIZRIDAP-NSHDSACASA-N 0 0 295.264 2.832 10 30 CFEERN CC#Cc1cnc(-n2ccc3ccncc32)cc1OC ZINC000584620156 348692062 /nfs/dbraw/zinc/69/20/62/348692062.db2.gz QLDLRADLJNHVJO-UHFFFAOYSA-N 0 0 263.300 2.801 10 30 CFEERN C=CCC1(CC=C)c2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000584625444 348694098 /nfs/dbraw/zinc/69/40/98/348694098.db2.gz CXYKOYKGFVVEGV-UHFFFAOYSA-N 0 0 272.304 2.961 10 30 CFEERN COc1cccnc1[C@H](CCO)[C@H](C#N)c1ccccc1 ZINC000584629132 348695206 /nfs/dbraw/zinc/69/52/06/348695206.db2.gz FSBVYCFHFOCZTM-HUUCEWRRSA-N 0 0 282.343 2.864 10 30 CFEERN N#C[C@H](c1ccccc1)[C@H](CCO)c1ccc(F)cn1 ZINC000584629491 348695455 /nfs/dbraw/zinc/69/54/55/348695455.db2.gz UGUQRNCTQGLFTF-LSDHHAIUSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@H](c1cccnc1)[C@@H](CCO)c1ccc([N+](=O)[O-])cc1 ZINC000584633366 348696533 /nfs/dbraw/zinc/69/65/33/348696533.db2.gz GTLBDWPVAUXXFW-JKSUJKDBSA-N 0 0 297.314 2.763 10 30 CFEERN COc1cc([C@H](CCO)[C@H](C#N)c2ccccc2)ccn1 ZINC000584637383 348698756 /nfs/dbraw/zinc/69/87/56/348698756.db2.gz SRFNTBPTAJHKAL-JKSUJKDBSA-N 0 0 282.343 2.864 10 30 CFEERN N#C[C@@H](c1cccc(F)c1F)[C@H](CCO)c1cnco1 ZINC000584638658 348699897 /nfs/dbraw/zinc/69/98/97/348699897.db2.gz SQUIAYYAEHEERP-GXSJLCMTSA-N 0 0 278.258 2.726 10 30 CFEERN Cc1nc(N[C@H]2CCC[C@H](O)C2)c(Cl)cc1C#N ZINC000589685521 348850304 /nfs/dbraw/zinc/85/03/04/348850304.db2.gz DVCKGKFNTPFDRG-QWRGUYRKSA-N 0 0 265.744 2.631 10 30 CFEERN CN(C)c1nnc(S[C@H]2CCCC[C@H]2C#N)s1 ZINC000104314245 185964305 /nfs/dbraw/zinc/96/43/05/185964305.db2.gz ITXSDYXLYBKAOC-IUCAKERBSA-N 0 0 268.411 2.779 10 30 CFEERN C=CCCC[C@@H]1CN1S(=O)(=O)c1ccc(C)cc1 ZINC000090735781 180033685 /nfs/dbraw/zinc/03/36/85/180033685.db2.gz XNOWPQLTFNPNMR-AFYYWNPRSA-N 0 0 265.378 2.724 10 30 CFEERN Cn1cc([C@H]2CCCN2c2snc(Cl)c2C#N)cn1 ZINC000108945946 186237329 /nfs/dbraw/zinc/23/73/29/186237329.db2.gz TZRWRUGICHYVNS-SNVBAGLBSA-N 0 0 293.783 2.743 10 30 CFEERN N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000603865935 351188171 /nfs/dbraw/zinc/18/81/71/351188171.db2.gz VYPVJOWXSXUEHB-NXEZZACHSA-N 0 0 250.729 2.927 10 30 CFEERN N#Cc1cc(F)c(N[C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000604531495 351217135 /nfs/dbraw/zinc/21/71/35/351217135.db2.gz UWMGQONQJLWOQV-VHSXEESVSA-N 0 0 252.264 2.552 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)CSCc1ccc(F)cc1 ZINC000610497198 351572346 /nfs/dbraw/zinc/57/23/46/351572346.db2.gz VKJFXBLAXHSVJG-TZMCWYRMSA-N 0 0 292.379 2.867 10 30 CFEERN N#Cc1ccccc1[C@H]1CNc2ccccc2N1C(N)=O ZINC000616685649 352412981 /nfs/dbraw/zinc/41/29/81/352412981.db2.gz SNVIUNNQARAWIW-OAHLLOKOSA-N 0 0 278.315 2.610 10 30 CFEERN N#Cc1ccccc1[C@H]1Cc2ccccc2N(C(N)=O)C1 ZINC000616690385 352414391 /nfs/dbraw/zinc/41/43/91/352414391.db2.gz OLTITWXTRSEELD-AWEZNQCLSA-N 0 0 277.327 2.783 10 30 CFEERN N#Cc1cccc([C@@H]2Cc3ccccc3N(C(N)=O)C2)c1 ZINC000616673516 352407691 /nfs/dbraw/zinc/40/76/91/352407691.db2.gz NZYRUZKFWSTXET-OAHLLOKOSA-N 0 0 277.327 2.783 10 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CFEERN Cc1cc(N(C)Cc2nccs2)c(C#N)c(C)n1 ZINC000301788495 201198604 /nfs/dbraw/zinc/19/86/04/201198604.db2.gz PUNKPJMOHYWMOR-UHFFFAOYSA-N 0 0 258.350 2.663 10 30 CFEERN CNc1ccc(Nc2cc(C)nc(C)c2C#N)cn1 ZINC000301803101 201206959 /nfs/dbraw/zinc/20/69/59/201206959.db2.gz WVQGILHRJDIXAY-UHFFFAOYSA-N 0 0 253.309 2.750 10 30 CFEERN Cn1c(Cl)c(Cl)cc1CNc1ccc(C#N)nn1 ZINC000301971359 201283279 /nfs/dbraw/zinc/28/32/79/201283279.db2.gz SEQYSEAAIDEWBT-UHFFFAOYSA-N 0 0 282.134 2.606 10 30 CFEERN CC(=O)c1ccc(C#N)c(NCC[C@@H]2CCCO2)c1 ZINC000302123237 201352597 /nfs/dbraw/zinc/35/25/97/201352597.db2.gz VETPBIHRBVNIBI-AWEZNQCLSA-N 0 0 258.321 2.742 10 30 CFEERN CC1(CCNc2ccc(Cl)cc2C#N)OCCO1 ZINC000302108097 201343978 /nfs/dbraw/zinc/34/39/78/201343978.db2.gz AUPPFWOSWCKZDF-UHFFFAOYSA-N 0 0 266.728 2.777 10 30 CFEERN CC(=O)c1ccc(C#N)cc1NCCC(=O)NC1CCCC1 ZINC000302127071 201353377 /nfs/dbraw/zinc/35/33/77/201353377.db2.gz WQZVMOKQIZJNNL-UHFFFAOYSA-N 0 0 299.374 2.622 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190678454 189571635 /nfs/dbraw/zinc/57/16/35/189571635.db2.gz SSHQMBJUXQOANY-YPMHNXCESA-N 0 0 258.321 2.620 10 30 CFEERN C=CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000685960356 541474880 /nfs/dbraw/zinc/47/48/80/541474880.db2.gz GEKPTDBEGXDHMU-QWRGUYRKSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961452 541476736 /nfs/dbraw/zinc/47/67/36/541476736.db2.gz IQCSESKWDTXDCO-MNOVXSKESA-N 0 0 251.326 2.601 10 30 CFEERN C=CC[C@@H](C)C(=O)CNC(=O)OCc1ccccc1 ZINC000685961488 541477091 /nfs/dbraw/zinc/47/70/91/541477091.db2.gz JQXILDCGGZLFRV-GFCCVEGCSA-N 0 0 261.321 2.694 10 30 CFEERN C=CCCC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961892 541477426 /nfs/dbraw/zinc/47/74/26/541477426.db2.gz PWGJBNOEHNYDBX-WDEREUQCSA-N 0 0 253.342 2.683 10 30 CFEERN C/C=C/C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000685959245 541473811 /nfs/dbraw/zinc/47/38/11/541473811.db2.gz PJGXMTCOIBPBMO-VQCYPWCPSA-N 0 0 253.342 2.920 10 30 CFEERN CN(C)/C=C(/C(=O)c1cccs1)C(=O)C(F)(F)F ZINC000002577700 371740403 /nfs/dbraw/zinc/74/04/03/371740403.db2.gz HMKYPMUUZCJODN-SREVYHEPSA-N 0 0 277.267 2.508 10 30 CFEERN CN(/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(Cl)nn1 ZINC000004276790 371845503 /nfs/dbraw/zinc/84/55/03/371845503.db2.gz OCWYBNSTFRIKPH-WUXMJOGZSA-N 0 0 297.727 2.570 10 30 CFEERN S=C(NN=C1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322311 371849536 /nfs/dbraw/zinc/84/95/36/371849536.db2.gz UPZWJFLMKGBIJW-UMNHJUIQSA-N 0 0 251.399 2.569 10 30 CFEERN N#Cc1c(Cl)cccc1Sc1nnnn1C1CC1 ZINC000012908633 371998261 /nfs/dbraw/zinc/99/82/61/371998261.db2.gz SQXIRRVFKDPFFY-UHFFFAOYSA-N 0 0 277.740 2.684 10 30 CFEERN CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000013473551 372028807 /nfs/dbraw/zinc/02/88/07/372028807.db2.gz WFOOYVYAHHNOAW-HUUCEWRRSA-N 0 0 292.404 2.522 10 30 CFEERN CCCC(=O)/C=C/C=C/C=C/C#CC#CCCCO ZINC000013835248 372051319 /nfs/dbraw/zinc/05/13/19/372051319.db2.gz APVCOKXFZCKIQG-YNQQSWPQSA-N 0 0 256.345 2.804 10 30 CFEERN C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@@H](C)O)=CC[C@H]12 ZINC000014620398 372070792 /nfs/dbraw/zinc/07/07/92/372070792.db2.gz KQEADOUDJYBGFC-GZZJDILISA-N 0 0 250.338 2.602 10 30 biogenic CFEERN Cc1ccc(C(=O)Nc2ccc(C#N)cc2)c(O)c1 ZINC000019807235 372189886 /nfs/dbraw/zinc/18/98/86/372189886.db2.gz UUXWJQIEMAPSCW-UHFFFAOYSA-N 0 0 252.273 2.825 10 30 CFEERN N#CNC(=NC12CC3CC(CC(C3)C1)C2)Nc1cccnc1 ZINC000026577837 372325129 /nfs/dbraw/zinc/32/51/29/372325129.db2.gz DEVSHLQEUXZEJI-UHFFFAOYSA-N 0 0 295.390 2.889 10 30 CFEERN CCCC[C@@H]1S/C(=N\N=C2CCCC2)NC1=O ZINC000027300666 372336585 /nfs/dbraw/zinc/33/65/85/372336585.db2.gz IKRNADMYQKKFMF-JTQLQIEISA-N 0 0 253.371 2.694 10 30 CFEERN Cc1nn(C)c(Cl)c1/C=C\C(=O)O/N=C/c1ccco1 ZINC000033374140 372492422 /nfs/dbraw/zinc/49/24/22/372492422.db2.gz UVNYQNOKUHEFLJ-UGHRRFQNSA-N 0 0 293.710 2.565 10 30 CFEERN CNC(=S)N/N=C/C(Br)=C\c1ccccc1 ZINC000033374238 372493068 /nfs/dbraw/zinc/49/30/68/372493068.db2.gz HFOZUYLTKSHTPO-XFUBVATKSA-N 0 0 298.209 2.502 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1c(F)cccc1Cl ZINC000061888625 373734008 /nfs/dbraw/zinc/73/40/08/373734008.db2.gz UUFDTMZISQWTBK-GZMMTYOYSA-N 0 0 266.703 2.901 10 30 CFEERN CCCOc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888554 373734295 /nfs/dbraw/zinc/73/42/95/373734295.db2.gz LECXZFKTDBNCPY-ZFWWWQNUSA-N 0 0 272.348 2.897 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1 ZINC000061888678 373734830 /nfs/dbraw/zinc/73/48/30/373734830.db2.gz YQSUJQPFUUVVFU-JQWIXIFHSA-N 0 0 293.164 2.871 10 30 CFEERN CCOc1cc(CN[C@H]2CCC[C@H]2C#N)ccc1OC ZINC000061891661 373736701 /nfs/dbraw/zinc/73/67/01/373736701.db2.gz HEFYATZVESEFJC-KBPBESRZSA-N 0 0 274.364 2.876 10 30 CFEERN CCOc1cc(CN[C@@H]2CCC[C@H]2C#N)ccc1O ZINC000061891490 373736783 /nfs/dbraw/zinc/73/67/83/373736783.db2.gz PHIBVQFKOPUTLN-QWHCGFSZSA-N 0 0 260.337 2.573 10 30 CFEERN CCOc1cc(CN[C@H]2CCC[C@@H]2C#N)ccc1O ZINC000061891489 373737023 /nfs/dbraw/zinc/73/70/23/373737023.db2.gz PHIBVQFKOPUTLN-OLZOCXBDSA-N 0 0 260.337 2.573 10 30 CFEERN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000061892402 373738544 /nfs/dbraw/zinc/73/85/44/373738544.db2.gz NCLKHYBWUYREQN-DGCLKSJQSA-N 0 0 270.336 2.760 10 30 CFEERN C#CCCNc1ccc(I)cc1 ZINC000070159492 374131898 /nfs/dbraw/zinc/13/18/98/374131898.db2.gz GDEFNOFLIDDJHJ-UHFFFAOYSA-N 0 0 271.101 2.726 10 30 CFEERN N#Cc1ccc(CN[C@H]2COc3ccccc32)c(F)c1 ZINC000070529904 374190895 /nfs/dbraw/zinc/19/08/95/374190895.db2.gz OGHJDMYFXVYBJH-HNNXBMFYSA-N 0 0 268.291 2.921 10 30 CFEERN CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)C(=O)OCC ZINC000072399364 374249110 /nfs/dbraw/zinc/24/91/10/374249110.db2.gz KLGSSMZKPJPOGR-MSIAHBHRSA-N 0 0 285.428 2.935 10 30 in-vitro CFEERN C=CCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1 ZINC000073640399 374362821 /nfs/dbraw/zinc/36/28/21/374362821.db2.gz HYXUIJFVCCLDAY-UHFFFAOYSA-N 0 0 273.288 2.880 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000073640173 374363204 /nfs/dbraw/zinc/36/32/04/374363204.db2.gz MDTZYINOCHEEPN-UHFFFAOYSA-N 0 0 285.255 2.953 10 30 CFEERN C=CCc1cc(C(=O)N[C@H]2C[C@@H]2C)cc(OC)c1OC ZINC000075522405 374487009 /nfs/dbraw/zinc/48/70/09/374487009.db2.gz IPDKTXNPFHUSPP-GWCFXTLKSA-N 0 0 275.348 2.571 10 30 CFEERN N#Cc1c2c(cnc1OCc1ccccc1)CCN2 ZINC000089212443 374889644 /nfs/dbraw/zinc/88/96/44/374889644.db2.gz RDBCDXJFWBJQCH-UHFFFAOYSA-N 0 0 251.289 2.500 10 30 CFEERN N#Cc1c(F)ccc(I)c1Cl ZINC000095803136 375463590 /nfs/dbraw/zinc/46/35/90/375463590.db2.gz PHOHSMLUOXXLNH-UHFFFAOYSA-N 0 0 281.455 2.955 10 30 CFEERN COC(=O)c1ccc(/N=C\c2ccccc2O)cc1 ZINC000100200306 375615678 /nfs/dbraw/zinc/61/56/78/375615678.db2.gz DNMJZIFVMMRREY-YBEGLDIGSA-N 0 0 255.273 2.929 10 30 CFEERN COC(=O)C(Cl)=NNc1cccc(C(F)(F)F)c1 ZINC000100333847 375619632 /nfs/dbraw/zinc/61/96/32/375619632.db2.gz PVSSVXDPIYXQMA-PXNMLYILSA-N 0 0 280.633 2.843 10 30 CFEERN C=C[C@]1(C)C[C@H](O)O[C@H](COCc2ccccc2)C1 ZINC000256015178 190002444 /nfs/dbraw/zinc/00/24/44/190002444.db2.gz ZCYLFFKMWRKJFB-XHSDSOJGSA-N 0 0 262.349 2.893 10 30 CFEERN COC[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000103373297 375736135 /nfs/dbraw/zinc/73/61/35/375736135.db2.gz OOSYVHMKQJEIHS-ZDUSSCGKSA-N 0 0 274.364 2.578 10 30 CFEERN N#CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109095284 375820276 /nfs/dbraw/zinc/82/02/76/375820276.db2.gz GUFCETIHVRNGQB-CHWSQXEVSA-N 0 0 290.313 2.830 10 30 CFEERN Cn1cc(C2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000110413353 375828467 /nfs/dbraw/zinc/82/84/67/375828467.db2.gz BCKKUWWBIIDICH-UHFFFAOYSA-N 0 0 284.338 2.815 10 30 CFEERN N#Cc1ccsc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113887056 376038249 /nfs/dbraw/zinc/03/82/49/376038249.db2.gz STUNSNPECQPLBZ-LBPRGKRZSA-N 0 0 286.360 2.710 10 30 CFEERN N#Cc1cnc(N2CCCC[C@H]2c2nccs2)cn1 ZINC000123138973 376948063 /nfs/dbraw/zinc/94/80/63/376948063.db2.gz KJNZMLQVPQPTLZ-NSHDSACASA-N 0 0 271.349 2.536 10 30 CFEERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C#N)cc1 ZINC000126051701 377208852 /nfs/dbraw/zinc/20/88/52/377208852.db2.gz DFPYXVQVXOLKDA-DOMZBBRYSA-N 0 0 295.390 2.898 10 30 CFEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccccc1C ZINC000129557343 377445972 /nfs/dbraw/zinc/44/59/72/377445972.db2.gz COUJWWZENYHECT-LBPRGKRZSA-N 0 0 253.367 2.552 10 30 CFEERN C[C@H]1CN(c2c(F)cc(C#N)cc2F)CCS1 ZINC000134340421 378003108 /nfs/dbraw/zinc/00/31/08/378003108.db2.gz NUFRGPDCXPVOMD-QMMMGPOBSA-N 0 0 254.305 2.778 10 30 CFEERN N#Cc1cnn(-c2cc(Br)ccc2Cl)c1N ZINC000149838044 378266605 /nfs/dbraw/zinc/26/66/05/378266605.db2.gz VAOHLBFMECTWDV-UHFFFAOYSA-N 0 0 297.543 2.742 10 30 CFEERN C#Cc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000158343457 378666066 /nfs/dbraw/zinc/66/60/66/378666066.db2.gz MTDWFMMROHSRMH-QAPCUYQASA-N 0 0 298.386 2.827 10 30 CFEERN Cn1cc([C@@H]2CCCN2CC#Cc2ccc(F)cc2)cn1 ZINC000158392652 378668113 /nfs/dbraw/zinc/66/81/13/378668113.db2.gz TUPSBVLWUQRVMT-KRWDZBQOSA-N 0 0 283.350 2.748 10 30 CFEERN C=CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000161386934 378842333 /nfs/dbraw/zinc/84/23/33/378842333.db2.gz VPQBRQOZDGUVGE-QWRGUYRKSA-N 0 0 251.276 2.713 10 30 CFEERN Cc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)o1 ZINC000164736170 379024052 /nfs/dbraw/zinc/02/40/52/379024052.db2.gz BDYYARUUWBBBTQ-ZROIWOOFSA-N 0 0 263.318 2.704 10 30 CFEERN CC(C)c1nnc2n1C[C@H](Nc1cccc(F)c1C#N)CC2 ZINC000170640210 379133176 /nfs/dbraw/zinc/13/31/76/379133176.db2.gz QAJIGYLYFOUFEF-LLVKDONJSA-N 0 0 299.353 2.839 10 30 CFEERN CCN(C(=O)[C@@H](C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000171443288 379309330 /nfs/dbraw/zinc/30/93/30/379309330.db2.gz YXXCCYKRFNYGEN-QWHCGFSZSA-N 0 0 274.364 2.750 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000175072784 379990737 /nfs/dbraw/zinc/99/07/37/379990737.db2.gz AJIGQNQFDYYBAQ-CQSZACIVSA-N 0 0 265.316 2.694 10 30 CFEERN C=CCCCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175137976 380005142 /nfs/dbraw/zinc/00/51/42/380005142.db2.gz KHXRINIKHUAOMJ-LBPRGKRZSA-N 0 0 295.404 2.624 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000175186237 380015595 /nfs/dbraw/zinc/01/55/95/380015595.db2.gz LJGWDACBHDBFKE-ZJUUUORDSA-N 0 0 285.269 2.737 10 30 CFEERN C[C@H]1C[C@H](O)CN(c2ccc(Br)cc2C#N)C1 ZINC000335236631 380058564 /nfs/dbraw/zinc/05/85/64/380058564.db2.gz KGFJVBUXTNTPBI-CABZTGNLSA-N 0 0 295.180 2.528 10 30 CFEERN Cc1nccn1C[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000178335865 380438260 /nfs/dbraw/zinc/43/82/60/380438260.db2.gz FGBNTRGOKBQRQN-QGZVFWFLSA-N 0 0 298.365 2.867 10 30 CFEERN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000181835588 380910100 /nfs/dbraw/zinc/91/01/00/380910100.db2.gz YOEDXEFGXRIEJP-CHWSQXEVSA-N 0 0 295.390 2.898 10 30 CFEERN C#CCC(C)(C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000184917476 381497473 /nfs/dbraw/zinc/49/74/73/381497473.db2.gz LMBSOLIRKXWSBO-GFCCVEGCSA-N 0 0 287.359 2.685 10 30 CFEERN Cc1nc(N2CCN3CCCC[C@H]3C2)c(Cl)cc1C#N ZINC000290971061 381615373 /nfs/dbraw/zinc/61/53/73/381615373.db2.gz OSMWJFQSCOSLKA-ZDUSSCGKSA-N 0 0 290.798 2.590 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000185779715 381730049 /nfs/dbraw/zinc/73/00/49/381730049.db2.gz IANYOVKHFYFMBR-ZFWWWQNUSA-N 0 0 275.396 2.785 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1Br ZINC000186056778 381815161 /nfs/dbraw/zinc/81/51/61/381815161.db2.gz FHRRSPXOFHUBND-UWVGGRQHSA-N 0 0 295.180 2.831 10 30 CFEERN CCc1ncc(CN(C)c2cccc(C#N)n2)s1 ZINC000301295603 382140297 /nfs/dbraw/zinc/14/02/97/382140297.db2.gz XKQANKXSHXBDAV-UHFFFAOYSA-N 0 0 258.350 2.609 10 30 CFEERN C[C@@H](Cc1cccc(F)c1)Nc1nccnc1C#N ZINC000301304187 382144181 /nfs/dbraw/zinc/14/41/81/382144181.db2.gz XFWCVRCQAWOLFC-JTQLQIEISA-N 0 0 256.284 2.530 10 30 CFEERN N#Cc1cccnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302169179 382212173 /nfs/dbraw/zinc/21/21/73/382212173.db2.gz LBRUKIFWQGWJBT-UHFFFAOYSA-N 0 0 295.346 2.598 10 30 CFEERN C=CCO[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000302165403 382212485 /nfs/dbraw/zinc/21/24/85/382212485.db2.gz OSSWIOAHXVRNML-HNNXBMFYSA-N 0 0 283.375 2.613 10 30 CFEERN CC[C@@]1(C)CN(c2cc(C)nc(C)c2C#N)CCO1 ZINC000302666467 382286126 /nfs/dbraw/zinc/28/61/26/382286126.db2.gz MQSTWYALERETOQ-HNNXBMFYSA-N 0 0 259.353 2.575 10 30 CFEERN Cc1csc(Sc2ccc([N+](=O)[O-])c(C#N)n2)n1 ZINC000302726175 382302849 /nfs/dbraw/zinc/30/28/49/382302849.db2.gz NUVYTUDQJLKPEQ-UHFFFAOYSA-N 0 0 278.318 2.778 10 30 CFEERN COc1ccccc1CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302750484 382309897 /nfs/dbraw/zinc/30/98/97/382309897.db2.gz VCVZGZDYSOMCDM-UHFFFAOYSA-N 0 0 298.302 2.525 10 30 CFEERN Cc1c(Br)c([N+](=O)[O-])ccc1CC#N ZINC000306923233 382462679 /nfs/dbraw/zinc/46/26/79/382462679.db2.gz ZCKGBFSQHPWWGM-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN COc1ccc(Nc2nc3c(cc2C#N)CCC3)cn1 ZINC000043406294 184558323 /nfs/dbraw/zinc/55/83/23/184558323.db2.gz ZOEZKBTWZVQOCB-UHFFFAOYSA-N 0 0 266.304 2.589 10 30 CFEERN Cc1cnc(Nc2nc3c(cc2C#N)CCC3)s1 ZINC000043406308 184558417 /nfs/dbraw/zinc/55/84/17/184558417.db2.gz ZYQXRBRSWWAIDN-UHFFFAOYSA-N 0 0 256.334 2.951 10 30 CFEERN N#Cc1ccc(C(=O)COc2ccccc2)cc1F ZINC000575242943 382732742 /nfs/dbraw/zinc/73/27/42/382732742.db2.gz CVIZEKWABFZMTK-UHFFFAOYSA-N 0 0 255.248 2.959 10 30 CFEERN NC(=O)c1ccc(C(F)(F)F)c(F)c1C(F)(F)F ZINC000575379921 382762411 /nfs/dbraw/zinc/76/24/11/382762411.db2.gz ILASVIBFLZZGNU-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(Cl)c(CC)c1 ZINC000575382348 382762917 /nfs/dbraw/zinc/76/29/17/382762917.db2.gz BWAWKAHKPUVHCS-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(Cl)c1OC(F)F ZINC000575382549 382763138 /nfs/dbraw/zinc/76/31/38/382763138.db2.gz YYAMYDQRPRJDBG-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(Cl)c1CC ZINC000575382472 382763264 /nfs/dbraw/zinc/76/32/64/382763264.db2.gz OHSDFWIMZYSGTG-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)c1c(C#N)cc(Cl)cc1OC(F)(F)F ZINC000575383345 382763509 /nfs/dbraw/zinc/76/35/09/382763509.db2.gz QKGAOOMLBFEXHR-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)c1cc(Cl)c(C#N)cc1OC(F)(F)F ZINC000575383361 382763569 /nfs/dbraw/zinc/76/35/69/382763569.db2.gz RBOVHGQDRAEWKC-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1CC ZINC000575385350 382763936 /nfs/dbraw/zinc/76/39/36/382763936.db2.gz MDBHRZBHFWHIID-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1OC(F)F ZINC000575385491 382764247 /nfs/dbraw/zinc/76/42/47/382764247.db2.gz UUOCCKISLRTAOC-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1OC(F)F ZINC000575386792 382764621 /nfs/dbraw/zinc/76/46/21/382764621.db2.gz HJGKYWMYCYTWRB-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1c(OC(F)F)cc(C#N)cc1C(F)(F)F ZINC000575387212 382764639 /nfs/dbraw/zinc/76/46/39/382764639.db2.gz ZTKHNUSGVJYVOX-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1C ZINC000575388578 382764847 /nfs/dbraw/zinc/76/48/47/382764847.db2.gz NLIFJTBLVIFDKM-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1C ZINC000575388514 382764883 /nfs/dbraw/zinc/76/48/83/382764883.db2.gz XACITXXVJBGREM-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCc1ccc(C#N)c(CC(=O)OC)c1OC(F)(F)F ZINC000575388740 382765245 /nfs/dbraw/zinc/76/52/45/382765245.db2.gz BHZJIYOOCNPFPF-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1C(F)F ZINC000575389251 382765565 /nfs/dbraw/zinc/76/55/65/382765565.db2.gz ICQCEOYEAINEJS-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1c(C#N)cc(C(=O)OC)cc1C(F)(F)F ZINC000575389322 382765574 /nfs/dbraw/zinc/76/55/74/382765574.db2.gz GLMFBZLDZOEMGW-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1ccc(CC(=O)OC)c(C#N)c1C(F)(F)F ZINC000575389625 382765746 /nfs/dbraw/zinc/76/57/46/382765746.db2.gz NBSIKNPDHMPODN-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1c(F)ccc(C#N)c1OC(F)(F)F ZINC000575390411 382766165 /nfs/dbraw/zinc/76/61/65/382766165.db2.gz JNHHWGWUVQEZLW-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCc1cc(C(F)F)c(C#N)cc1CC(=O)OC ZINC000575389754 382766201 /nfs/dbraw/zinc/76/62/01/382766201.db2.gz PQMKCCRLNNTNCF-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCOC(=O)Cc1ccc(F)c(C(F)(F)F)c1C#N ZINC000575390384 382766220 /nfs/dbraw/zinc/76/62/20/382766220.db2.gz HABLALKZIPBZOK-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575390578 382766324 /nfs/dbraw/zinc/76/63/24/382766324.db2.gz ZUCQQSGOUNQULU-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN COC(=O)Cc1cc(O)c(C#N)cc1SC(F)(F)F ZINC000575391667 382766811 /nfs/dbraw/zinc/76/68/11/382766811.db2.gz CPVRGFBTCAIMTM-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1cc(C=O)cc(SC(F)(F)F)c1C#N ZINC000575391459 382766838 /nfs/dbraw/zinc/76/68/38/382766838.db2.gz MWURYCHSJFOJCU-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C ZINC000575394317 382767920 /nfs/dbraw/zinc/76/79/20/382767920.db2.gz CMCFXJCWYFEYFQ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)c1cc(OC)c(OC(F)(F)F)cc1C#N ZINC000575394037 382767945 /nfs/dbraw/zinc/76/79/45/382767945.db2.gz FVUCGVXHVSYFJU-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1c(C#N)c(C)ccc1C(F)(F)F ZINC000575394676 382768161 /nfs/dbraw/zinc/76/81/61/382768161.db2.gz KDXNIZWQHWNINJ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)Cc1ccc(OC)c(C(F)(F)F)c1C#N ZINC000575394462 382768187 /nfs/dbraw/zinc/76/81/87/382768187.db2.gz LVSIMTNKGHEVBC-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC)c1C(F)(F)F ZINC000575394501 382768228 /nfs/dbraw/zinc/76/82/28/382768228.db2.gz NRJGLEAGVCTECZ-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC)cc1OC(F)(F)F ZINC000575394877 382768477 /nfs/dbraw/zinc/76/84/77/382768477.db2.gz REKULNOZKCFLKX-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)c(OC)cc1C#N ZINC000575394885 382768545 /nfs/dbraw/zinc/76/85/45/382768545.db2.gz RIILSEUYZGLHPI-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)c1ccc(C#N)c(OC)c1SC(F)(F)F ZINC000575395234 382768736 /nfs/dbraw/zinc/76/87/36/382768736.db2.gz ZDFBHUGSWIEAKU-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN N#CCc1ccc(OC(F)F)nc1C(F)(F)F ZINC000575396904 382769313 /nfs/dbraw/zinc/76/93/13/382769313.db2.gz HEJDVLZJXVRHOJ-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CCOc1cc(CC#N)c(C#N)cc1OC(F)F ZINC000575638043 382776489 /nfs/dbraw/zinc/77/64/89/382776489.db2.gz CXSDLCWUSFJPIL-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(OC(F)F)ccc(C#N)c1CC#N ZINC000575639278 382776512 /nfs/dbraw/zinc/77/65/12/382776512.db2.gz PXKAZDXRKFBXRZ-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN N#CCc1c(N)cc(Br)cc1OC(F)F ZINC000575713833 382794609 /nfs/dbraw/zinc/79/46/09/382794609.db2.gz GBRPUCASJOZUGT-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1cc(CC#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575657522 382779988 /nfs/dbraw/zinc/77/99/88/382779988.db2.gz JVTOBBDBCHIUHC-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1ccc(CC#N)c(OC(F)F)c1OC ZINC000575658099 382780245 /nfs/dbraw/zinc/78/02/45/382780245.db2.gz PSIVRXGBWNBDHB-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCOc1cc(OC)c(OC(F)F)cc1CC#N ZINC000575658649 382780271 /nfs/dbraw/zinc/78/02/71/382780271.db2.gz VYLAUKXVTVNCGP-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1cc(N)c(C(F)(F)F)cc1OC(F)F ZINC000575716493 382794848 /nfs/dbraw/zinc/79/48/48/382794848.db2.gz CURWPSSHNUGCQI-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCOc1cc(CC#N)c(OC(F)F)cc1OC ZINC000575658373 382780508 /nfs/dbraw/zinc/78/05/08/382780508.db2.gz SVQFEXDRBZDBBN-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCc1ccc([N+](=O)[O-])c(CC#N)c1OC(F)F ZINC000575660526 382781124 /nfs/dbraw/zinc/78/11/24/382781124.db2.gz RCSSBEGFCKYRDX-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1cc(O)cc(OC(F)(F)F)c1OC(F)F ZINC000575661529 382781617 /nfs/dbraw/zinc/78/16/17/382781617.db2.gz IBKNHLMWENQJRP-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCOc1cc(C(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575667844 382782705 /nfs/dbraw/zinc/78/27/05/382782705.db2.gz OAGZTSYSOKJYSY-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc(CC#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575666820 382782725 /nfs/dbraw/zinc/78/27/25/382782725.db2.gz MKHOAQDWUWHCKA-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#CCc1ccc(I)c(Cl)c1N ZINC000575715398 382795027 /nfs/dbraw/zinc/79/50/27/382795027.db2.gz BFVJHWDYJHMPNY-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOc1cc([N+](=O)[O-])c(C#N)c(C(F)(F)F)c1 ZINC000575670444 382783572 /nfs/dbraw/zinc/78/35/72/382783572.db2.gz HVYMOYNVSITBDK-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1c(F)ccc(I)c1C#N ZINC000575670278 382783582 /nfs/dbraw/zinc/78/35/82/382783582.db2.gz IIESPIWZIBQMRI-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOC(=O)c1c(C#N)cc(OCC)cc1OCC ZINC000575670808 382783602 /nfs/dbraw/zinc/78/36/02/382783602.db2.gz MMEZSCASJHCFOX-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1OCC ZINC000575670468 382783607 /nfs/dbraw/zinc/78/36/07/382783607.db2.gz IFJMLGKFLXZFJN-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(C#N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575670928 382783610 /nfs/dbraw/zinc/78/36/10/382783610.db2.gz NZAZCKOKMIDGMF-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(C#N)c1C(F)(F)F ZINC000575670123 382783695 /nfs/dbraw/zinc/78/36/95/382783695.db2.gz FXAIBPZOJMZQFW-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN COC(=O)c1ccc2c(c1)[nH]c1ccc(C#N)cc12 ZINC000216861328 382784669 /nfs/dbraw/zinc/78/46/69/382784669.db2.gz VKVKKOJKLJLKFR-UHFFFAOYSA-N 0 0 250.257 2.979 10 30 CFEERN N#CCc1cc(N)c(Br)c(Br)c1 ZINC000575716875 382795225 /nfs/dbraw/zinc/79/52/25/382795225.db2.gz WQPMNIIQJWKCBH-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)cc1N ZINC000575718086 382795240 /nfs/dbraw/zinc/79/52/40/382795240.db2.gz XBEADQFBLVGLCC-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1cc(N)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575716924 382795266 /nfs/dbraw/zinc/79/52/66/382795266.db2.gz IUWLBXROBIHNAI-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1cc([N+](=O)[O-])c(OC(F)F)cc1Br ZINC000575684999 382787534 /nfs/dbraw/zinc/78/75/34/382787534.db2.gz IRTFSCRMZAIIBF-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1cc([N+](=O)[O-])c(Br)cc1OC(F)F ZINC000575685702 382787709 /nfs/dbraw/zinc/78/77/09/382787709.db2.gz LIIMOSQOYWEHFJ-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1c(O)ccc(Br)c1OC(F)(F)F ZINC000575690762 382789008 /nfs/dbraw/zinc/78/90/08/382789008.db2.gz ALOPUDHFLWMPIX-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#CCc1cc(F)cc(F)c1I ZINC000575695811 382789787 /nfs/dbraw/zinc/78/97/87/382789787.db2.gz RKYXHFISKCVQKL-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN CCc1c(N)ccc(I)c1CC#N ZINC000575718670 382795578 /nfs/dbraw/zinc/79/55/78/382795578.db2.gz WQICWROPJNEQEA-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN CC1(C)OC(c2ccnc3c2CC(C#N)=N3)OC1(C)C ZINC000575319687 382758181 /nfs/dbraw/zinc/75/81/81/382758181.db2.gz UPYOCDPIMHFKLM-UHFFFAOYSA-N 0 0 271.320 2.836 10 30 CFEERN CCOC(=O)Cc1cc(Cl)c(C#N)cc1OC(F)F ZINC000575342970 382759504 /nfs/dbraw/zinc/75/95/04/382759504.db2.gz CEAJOWZASNLDFM-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN N#CCc1cc(F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575710964 382793156 /nfs/dbraw/zinc/79/31/56/382793156.db2.gz MNEWKXOXKXAHJX-UHFFFAOYSA-N 0 0 264.134 2.699 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(OC)cc1C(F)F ZINC000575343568 382759679 /nfs/dbraw/zinc/75/96/79/382759679.db2.gz KBSJBTJXJHATMR-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN COC(=O)c1cc(OC(F)F)c(Cl)cc1C#N ZINC000575343042 382759759 /nfs/dbraw/zinc/75/97/59/382759759.db2.gz WUHUZZDRTICEEO-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN COC(=O)c1cc(C#N)c(OC(F)F)cc1Cl ZINC000575342997 382759784 /nfs/dbraw/zinc/75/97/84/382759784.db2.gz KFRSRRLOAIEPSV-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC)c1C(F)F ZINC000575343618 382759992 /nfs/dbraw/zinc/75/99/92/382759992.db2.gz QNJGZRKRBSOFAI-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(OC)cc(C(F)F)c1C#N ZINC000575343666 382760022 /nfs/dbraw/zinc/76/00/22/382760022.db2.gz YKTUTSMFOBWDLI-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575344169 382760078 /nfs/dbraw/zinc/76/00/78/382760078.db2.gz SHFJWUINKGAIPK-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575343964 382760088 /nfs/dbraw/zinc/76/00/88/382760088.db2.gz KZIRQQIDLGIVBT-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1c(C#N)cccc1OC(F)(F)F ZINC000575344905 382760265 /nfs/dbraw/zinc/76/02/65/382760265.db2.gz HXIYRQGKKPNOSD-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN CCOC(=O)Cc1c(F)ccc(C(F)(F)F)c1C#N ZINC000575345022 382760368 /nfs/dbraw/zinc/76/03/68/382760368.db2.gz PGMBUZHGVHSTEP-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN Cc1c(-c2ccc(/C=C/C(=O)NO)o2)cccc1[N+](=O)[O-] ZINC000226290533 382826116 /nfs/dbraw/zinc/82/61/16/382826116.db2.gz MRSBLOZOZODREJ-SOFGYWHQSA-N 0 0 288.259 2.682 10 30 CFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2O)c(Br)c1 ZINC000227538059 382837723 /nfs/dbraw/zinc/83/77/23/382837723.db2.gz VQIWHECUAFNGFG-NEPJUHHUSA-N 0 0 281.153 2.646 10 30 CFEERN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235364062 382879760 /nfs/dbraw/zinc/87/97/60/382879760.db2.gz DRYMSIMSARUVED-ZJUUUORDSA-N 0 0 260.297 2.852 10 30 CFEERN Cc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000235906860 382889930 /nfs/dbraw/zinc/88/99/30/382889930.db2.gz OYPPMCFVMGVCGY-UHFFFAOYSA-N 0 0 268.276 2.782 10 30 CFEERN N#Cc1nc(NCCc2cccs2)ccc1[N+](=O)[O-] ZINC000236421131 382893446 /nfs/dbraw/zinc/89/34/46/382893446.db2.gz FJLZHRYVEJLKFF-UHFFFAOYSA-N 0 0 274.305 2.578 10 30 CFEERN C[C@H]1CC(CCN2CCO[C@@H](C#N)C2)C[C@H](C)C1 ZINC000246139625 383063720 /nfs/dbraw/zinc/06/37/20/383063720.db2.gz ASKVDBGXKBGGOC-NFAWXSAZSA-N 0 0 250.386 2.673 10 30 CFEERN N#Cc1c(F)cccc1N1CCC[C@@H]1Cn1ccnc1 ZINC000267399492 384380902 /nfs/dbraw/zinc/38/09/02/384380902.db2.gz PCAGEEYQBTXFQY-GFCCVEGCSA-N 0 0 270.311 2.563 10 30 CFEERN CO[C@H](C)CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000189157424 533097210 /nfs/dbraw/zinc/09/72/10/533097210.db2.gz URSLANRWKIKNSS-CYBMUJFWSA-N 0 0 294.354 2.990 10 30 CFEERN Cc1cc(C#N)nc(N[C@H](C)COCc2ccccc2)n1 ZINC000288331406 197053645 /nfs/dbraw/zinc/05/36/45/197053645.db2.gz JMGKXENFRGGQOK-CYBMUJFWSA-N 0 0 282.347 2.674 10 30 CFEERN O=C1c2ccc(O)c(O)c2O/C1=C/c1ccc(F)cc1 ZINC000027429624 296438867 /nfs/dbraw/zinc/43/88/67/296438867.db2.gz GQYNAQANODCSRC-KPKJPENVSA-N 0 0 272.231 2.853 10 30 CFEERN COc1ccc(C(=O)NOC(=O)C=Cc2ccco2)cc1 ZINC000096439008 533223754 /nfs/dbraw/zinc/22/37/54/533223754.db2.gz PVGUTCIELDLNOI-HJWRWDBZSA-N 0 0 287.271 2.764 10 30 CFEERN C=CC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000187238681 260030326 /nfs/dbraw/zinc/03/03/26/260030326.db2.gz LJHXBZAYOZUIAW-FMKPAKJESA-N 0 0 273.376 2.982 10 30 CFEERN CC(C)(C)OC(=O)NCC#Cc1ccnc(C(C)(C)C)n1 ZINC000095347552 184949276 /nfs/dbraw/zinc/94/92/76/184949276.db2.gz ANLTYTJGSSZAFC-UHFFFAOYSA-N 0 0 289.379 2.650 10 30 CFEERN CO[C@@H]1CCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329389946 533387281 /nfs/dbraw/zinc/38/72/81/533387281.db2.gz SDFCJSSPZAYVAM-JHJVBQTASA-N 0 0 282.384 2.905 10 30 CFEERN C[C@H](C(=O)OC(C)(C)C)N(C)CC#Cc1ccccc1 ZINC000192055532 130360003 /nfs/dbraw/zinc/36/00/03/130360003.db2.gz DYVSUAYHLZVDJI-CQSZACIVSA-N 0 0 273.376 2.700 10 30 CFEERN COc1cc(C#N)ccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245916686 131091034 /nfs/dbraw/zinc/09/10/34/131091034.db2.gz NGAVXXRQIGRNFQ-HZPDHXFCSA-N 0 0 286.375 2.710 10 30 CFEERN CCc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C#N)cc1 ZINC000182344782 393508875 /nfs/dbraw/zinc/50/88/75/393508875.db2.gz DNNAOWIJOBACIM-NWDGAFQWSA-N 0 0 259.353 2.769 10 30 CFEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1F ZINC000191948048 393611635 /nfs/dbraw/zinc/61/16/35/393611635.db2.gz KFWJNNUCYPTJCJ-HOTGVXAUSA-N 0 0 274.339 2.841 10 30 CFEERN C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000193216265 393645353 /nfs/dbraw/zinc/64/53/53/393645353.db2.gz NAJCIASKZOKUAZ-JSGCOSHPSA-N 0 0 275.348 2.549 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N+]1(C)[O-] ZINC000077302080 393696537 /nfs/dbraw/zinc/69/65/37/393696537.db2.gz WQTJWODFSMCWCC-CWQZNGJJSA-N 0 0 262.353 2.739 10 30 in-vitro CFEERN N#Cc1ccc(N2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000227312401 393772495 /nfs/dbraw/zinc/77/24/95/393772495.db2.gz SVPGANVXZNQGBE-HIFRSBDPSA-N 0 0 287.319 2.614 10 30 CFEERN N#Cc1csc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000091979325 393785635 /nfs/dbraw/zinc/78/56/35/393785635.db2.gz AULVIXRNCSKENC-UONOGXRCSA-N 0 0 262.378 2.763 10 30 CFEERN N#Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)nc1 ZINC000107426943 393869451 /nfs/dbraw/zinc/86/94/51/393869451.db2.gz CHGKEOYGIRLQOV-OAHLLOKOSA-N 0 0 277.327 2.761 10 30 CFEERN C[C@@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1Cl ZINC000439445683 394115675 /nfs/dbraw/zinc/11/56/75/394115675.db2.gz CVLNRGGCLBTCII-PHIMTYICSA-N 0 0 264.756 2.821 10 30 CFEERN N#CCCn1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000156463294 394333967 /nfs/dbraw/zinc/33/39/67/394333967.db2.gz MDADRZWWBZRVSM-KGLIPLIRSA-N 0 0 286.379 2.952 10 30 CFEERN CC#CCCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000155338300 394314818 /nfs/dbraw/zinc/31/48/18/394314818.db2.gz MCQSGKLZYGYXIS-AWEZNQCLSA-N 0 0 272.396 2.555 10 30 CFEERN C=CCc1ccccc1OC/C(C[NH2+]C(C)C)=N/[O-] ZINC000003914852 543001290 /nfs/dbraw/zinc/00/12/90/543001290.db2.gz XFQFSSGNEFUEPA-SAPNQHFASA-N 0 0 262.353 2.622 10 30 in-man CFEERN C=CC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000405654000 543022369 /nfs/dbraw/zinc/02/23/69/543022369.db2.gz MIRDXEFOUCHVIJ-NSHDSACASA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000405922061 543026145 /nfs/dbraw/zinc/02/61/45/543026145.db2.gz DTTXOIIIJQHXSN-UHFFFAOYSA-N 0 0 253.342 2.827 10 30 CFEERN C=C(C)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406077452 543029480 /nfs/dbraw/zinc/02/94/80/543029480.db2.gz UTWDKSDZARTXRX-QWRGUYRKSA-N 0 0 253.342 2.825 10 30 CFEERN CCCCCCCc1cnc2nc(N)nc(N)c2c1C ZINC000584641863 397586027 /nfs/dbraw/zinc/58/60/27/397586027.db2.gz KQNHPWAYHJPPEP-UHFFFAOYSA-N 0 0 273.384 2.671 10 30 CFEERN C=CC[C@H](C)Nc1nc(C)ncc1Br ZINC000306221942 397640175 /nfs/dbraw/zinc/64/01/75/397640175.db2.gz WPUMAVXPKHDWIV-ZETCQYMHSA-N 0 0 256.147 2.924 10 30 CFEERN CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=C/C1=N\O ZINC000004792529 170018636 /nfs/dbraw/zinc/01/86/36/170018636.db2.gz DZFUMKYXWIWTMJ-ZYLULROZSA-N 0 0 261.321 2.681 10 30 CFEERN C=CCOCC(COCC=C)(COCC=C)COCC=C ZINC000005157817 170071948 /nfs/dbraw/zinc/07/19/48/170071948.db2.gz TYMYJUHDFROXOO-UHFFFAOYSA-N 0 0 296.407 2.783 10 30 CFEERN COc1ccc(-c2ccc(SCC#N)nn2)cc1 ZINC000005410550 170095548 /nfs/dbraw/zinc/09/55/48/170095548.db2.gz REDYPGGWQVBHCJ-UHFFFAOYSA-N 0 0 257.318 2.768 10 30 CFEERN c1ccc(C(N=Nc2ccccn2)c2ncccn2)cc1 ZINC000005582004 170115960 /nfs/dbraw/zinc/11/59/60/170115960.db2.gz CZVLTCSZUVREJN-QNGOZBTKSA-N 0 0 275.315 2.736 10 30 CFEERN COc1ccc(/C=C2\COc3c(O)c(O)ccc3C2=O)cc1 ZINC000006018138 170168729 /nfs/dbraw/zinc/16/87/29/170168729.db2.gz VXIWIIHDWPBCIM-DHZHZOJOSA-N 0 0 298.294 2.765 10 30 CFEERN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCc2ccccc21 ZINC000006401470 170198450 /nfs/dbraw/zinc/19/84/50/170198450.db2.gz UWFGTITUPZWIDS-ZDUSSCGKSA-N 0 0 292.338 2.915 10 30 CFEERN COc1ccc(C=NNc2ccc(F)cc2)cc1O ZINC000007949159 170309165 /nfs/dbraw/zinc/30/91/65/170309165.db2.gz LYUAXNHOTGKQES-CXUHLZMHSA-N 0 0 260.268 2.986 10 30 CFEERN COc1cccc(CN=Nc2ccccn2)c1OC ZINC000007993889 170312875 /nfs/dbraw/zinc/31/28/75/170312875.db2.gz OOPISZMYBXDOGM-MHWRWJLKSA-N 0 0 257.293 2.545 10 30 CFEERN C=C(C)COc1ccc(NC(=O)CCC(=O)OC)cc1 ZINC000009813113 170386137 /nfs/dbraw/zinc/38/61/37/170386137.db2.gz YJASPRKODDUJJU-UHFFFAOYSA-N 0 0 277.320 2.533 10 30 CFEERN Brc1ccccc1NC1=NCCS1 ZINC000013835933 170603078 /nfs/dbraw/zinc/60/30/78/170603078.db2.gz VTXVDODIIVLDOG-UHFFFAOYSA-N 0 0 257.156 2.773 10 30 CFEERN Cc1cccc(COc2ccc(/C(N)=N/O)cc2)c1 ZINC000019424865 170793951 /nfs/dbraw/zinc/79/39/51/170793951.db2.gz OWMXDXHDGPYPPT-UHFFFAOYSA-N 0 0 256.305 2.669 10 30 CFEERN C[C@@H](OCc1ccco1)C(=O)Nc1ccccc1C#N ZINC000019847221 170896218 /nfs/dbraw/zinc/89/62/18/170896218.db2.gz BIWROOVKMXJPIA-LLVKDONJSA-N 0 0 270.288 2.695 10 30 CFEERN CCCCCN[C@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175671 171041802 /nfs/dbraw/zinc/04/18/02/171041802.db2.gz QRNLJGVEJNAVHF-CYBMUJFWSA-N 0 0 260.337 2.802 10 30 CFEERN COCCN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000020176328 171042355 /nfs/dbraw/zinc/04/23/55/171042355.db2.gz SEJFYHJOPIGPCD-NSHDSACASA-N 0 0 258.243 2.506 10 30 CFEERN N#C[C@H](NCCCO)c1cccc(Cl)c1Cl ZINC000020177241 171042724 /nfs/dbraw/zinc/04/27/24/171042724.db2.gz HNXVMEXUGAWVKH-JTQLQIEISA-N 0 0 259.136 2.530 10 30 CFEERN C=CCSc1nnc(COC)n1-c1ccccc1 ZINC000020426676 171192687 /nfs/dbraw/zinc/19/26/87/171192687.db2.gz ISYLSRNEVFYKCX-UHFFFAOYSA-N 0 0 261.350 2.692 10 30 CFEERN C=CCn1c(COC)nnc1SCCC(C)C ZINC000020426196 171192731 /nfs/dbraw/zinc/19/27/31/171192731.db2.gz FBIAPHZRPWHKDH-UHFFFAOYSA-N 0 0 255.387 2.749 10 30 CFEERN N#CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[nH]1 ZINC000021353667 171303293 /nfs/dbraw/zinc/30/32/93/171303293.db2.gz OJYJBBRSWVGHQM-UHFFFAOYSA-N 0 0 282.328 2.946 10 30 CFEERN N#Cc1ccc(CS(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000021517327 171313634 /nfs/dbraw/zinc/31/36/34/171313634.db2.gz UNGMLNFZNICFNZ-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN C[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1C#N ZINC000021810289 171328797 /nfs/dbraw/zinc/32/87/97/171328797.db2.gz PLUBSSAWRYMABA-WFASDCNBSA-N 0 0 292.404 2.556 10 30 CFEERN COc1cccc([C@](C)(O)C#Cc2ccccc2)c1 ZINC000021988303 171345699 /nfs/dbraw/zinc/34/56/99/171345699.db2.gz XOBBCMMFGNGALQ-QGZVFWFLSA-N 0 0 252.313 2.954 10 30 CFEERN N#CCOc1ccc(NC(=O)c2ccsc2)cc1 ZINC000022650368 171394999 /nfs/dbraw/zinc/39/49/99/171394999.db2.gz XSWCNSSNTPXOFH-UHFFFAOYSA-N 0 0 258.302 2.903 10 30 CFEERN Cc1cccc(/C=N/CC/N=C/c2cccc(C)n2)n1 ZINC000033606628 171815140 /nfs/dbraw/zinc/81/51/40/171815140.db2.gz NCCJTKNIPMUERV-JYFOCSDGSA-N 0 0 266.348 2.631 10 30 CFEERN Fc1cccc(/C=N\NC(=S)NCc2ccccc2)c1 ZINC000033642442 171816376 /nfs/dbraw/zinc/81/63/76/171816376.db2.gz BJXAIYOUQKEWLW-WQRHYEAKSA-N 0 0 287.363 2.824 10 30 CFEERN C=CCn1c(CCCNC(=O)C(=C)C)nc2ccccc21 ZINC000035144786 172009708 /nfs/dbraw/zinc/00/97/08/172009708.db2.gz JQYNFHOAXNRXDL-UHFFFAOYSA-N 0 0 283.375 2.847 10 30 CFEERN O=[N+]([O-])c1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000035255084 172084635 /nfs/dbraw/zinc/08/46/35/172084635.db2.gz GFEMNDUCDOBKMS-DHDCSXOGSA-N 0 0 281.275 2.917 10 30 CFEERN CCCC1N=NC(=S)N1N=Cc1ccccc1F ZINC000035418267 172190217 /nfs/dbraw/zinc/19/02/17/172190217.db2.gz CVMCCRNPPAWDKC-ZSOIEALJSA-N 0 0 264.329 2.541 10 30 CFEERN N#Cc1ccccc1Oc1nc2sccn2c1CO ZINC000035429305 172197360 /nfs/dbraw/zinc/19/73/60/172197360.db2.gz CELMEWHNLBGRDW-UHFFFAOYSA-N 0 0 271.301 2.552 10 30 CFEERN Cc1ccc(S(=O)(=O)C2(C#N)CCCC2)cc1C ZINC000035676781 172347914 /nfs/dbraw/zinc/34/79/14/172347914.db2.gz WSMDZUOSFHRCKY-UHFFFAOYSA-N 0 0 263.362 2.914 10 30 CFEERN Cc1ccc(OCc2ccccc2)c(C#CCO)c1 ZINC000037653960 173604118 /nfs/dbraw/zinc/60/41/18/173604118.db2.gz QSCMUUUDWZAXBF-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN CCC(C#N)(CC)S(=O)(=O)c1ccc(F)cc1F ZINC000037934639 173875444 /nfs/dbraw/zinc/87/54/44/173875444.db2.gz IEQBHNRQJSQUBT-UHFFFAOYSA-N 0 0 273.304 2.821 10 30 CFEERN CCOc1cccc([C@H](C#N)NCC(F)(F)F)c1 ZINC000037971256 173922466 /nfs/dbraw/zinc/92/24/66/173922466.db2.gz BHQLIUJRFMINQK-NSHDSACASA-N 0 0 258.243 2.802 10 30 CFEERN C[C@H](C(=O)Nc1ccccc1C#N)n1cc(Cl)cn1 ZINC000038053474 174065411 /nfs/dbraw/zinc/06/54/11/174065411.db2.gz GRKDTCCIRKFSTI-SECBINFHSA-N 0 0 274.711 2.608 10 30 CFEERN Fc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000038204187 174136939 /nfs/dbraw/zinc/13/69/39/174136939.db2.gz OTZISQZGAQFCDG-YBEGLDIGSA-N 0 0 279.384 2.956 10 30 CFEERN CCN[C@](C)(C#N)c1ccc(Br)cc1 ZINC000040176567 174201832 /nfs/dbraw/zinc/20/18/32/174201832.db2.gz YVCAUZRPZAOXPC-LLVKDONJSA-N 0 0 253.143 2.797 10 30 CFEERN C=CCn1c(CNC(=O)c2ccncc2)nc2ccccc21 ZINC000040183765 174202911 /nfs/dbraw/zinc/20/29/11/174202911.db2.gz KKZQOWMZVYTHFJ-UHFFFAOYSA-N 0 0 292.342 2.547 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1cc(N)ccc1Cl ZINC000040331547 174240091 /nfs/dbraw/zinc/24/00/91/174240091.db2.gz NPZLPBPBTIQALO-UHFFFAOYSA-N 0 0 288.800 2.507 10 30 CFEERN COc1cc(C#N)ccc1Oc1cc(Cl)ncn1 ZINC000040422470 174258384 /nfs/dbraw/zinc/25/83/84/174258384.db2.gz HUILCZWGQOOTDT-UHFFFAOYSA-N 0 0 261.668 2.803 10 30 CFEERN CCN(CC)C(=O)[C@]1(CCCc2ccccc2)CO1 ZINC000040465996 174274793 /nfs/dbraw/zinc/27/47/93/174274793.db2.gz JSNXJKUSJPKMBE-INIZCTEOSA-N 0 0 261.365 2.647 10 30 CFEERN C=CCNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040598807 174349673 /nfs/dbraw/zinc/34/96/73/174349673.db2.gz ISUKWTZVSIWILK-UHFFFAOYSA-N 0 0 299.334 2.903 10 30 CFEERN C=CCNS(=O)(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000040642906 174364254 /nfs/dbraw/zinc/36/42/54/174364254.db2.gz ZSOFWROQGLKULQ-UHFFFAOYSA-N 0 0 281.421 2.632 10 30 CFEERN C=CCNc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040708887 174380128 /nfs/dbraw/zinc/38/01/28/174380128.db2.gz CWHOCYQGHSXBIW-UHFFFAOYSA-N 0 0 293.330 2.997 10 30 CFEERN Cc1cccc(OCCNc2ccc(N)cc2C#N)c1 ZINC000042895545 174903638 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377987115 /nfs/dbraw/zinc/98/71/15/377987115.db2.gz PQXYBTSNRXQSEX-GZMMTYOYSA-N 0 0 281.153 2.910 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCCC[C@@H]1O ZINC000135825393 378165218 /nfs/dbraw/zinc/16/52/18/378165218.db2.gz NMBQHXDVIJOUIO-KGLIPLIRSA-N 0 0 275.308 2.572 10 30 CFEERN C=C(C)COCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000136124838 378180495 /nfs/dbraw/zinc/18/04/95/378180495.db2.gz WXEUWUKZZQHORY-OLZOCXBDSA-N 0 0 295.329 2.777 10 30 CFEERN C#Cc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000158343743 378666756 /nfs/dbraw/zinc/66/67/56/378666756.db2.gz MTDWFMMROHSRMH-YJBOKZPZSA-N 0 0 298.386 2.827 10 30 CFEERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(C#N)cc1F)CC2 ZINC000171363879 379290032 /nfs/dbraw/zinc/29/00/32/379290032.db2.gz SSAFGURAPGETCH-LBPRGKRZSA-N 0 0 299.353 2.839 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1cccc(C#N)n1 ZINC000172780655 379646434 /nfs/dbraw/zinc/64/64/34/379646434.db2.gz WTWNYVNUJWGJAE-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN CC(C)(C#N)CNC(=O)N1CCCCC(C)(C)C1 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/nfs/dbraw/zinc/76/64/34/382766434.db2.gz OXPHDJZXZHHPSH-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)Cc1c(O)c(C#N)ccc1SC(F)(F)F ZINC000575391647 382766774 /nfs/dbraw/zinc/76/67/74/382766774.db2.gz BQASJMAOFCNVPS-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1cc(O)c(SC(F)(F)F)c(C#N)c1 ZINC000575392000 382767062 /nfs/dbraw/zinc/76/70/62/382767062.db2.gz KLSRCTWPSSEIQS-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1C ZINC000575394324 382767808 /nfs/dbraw/zinc/76/78/08/382767808.db2.gz CXSXCVBZYNLZTC-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1C(F)(F)F ZINC000575393963 382767973 /nfs/dbraw/zinc/76/79/73/382767973.db2.gz AQVLIHVKJFQGJK-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN COC(=O)c1ccc(SC(F)(F)F)c(OC)c1C#N ZINC000575394612 382768144 /nfs/dbraw/zinc/76/81/44/382768144.db2.gz MZLOKKUXMYWXBX-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)Cc1cc(OC)c(C#N)cc1C(F)(F)F ZINC000575394438 382768152 /nfs/dbraw/zinc/76/81/52/382768152.db2.gz KVDRPGPRNYWIAM-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1c(C#N)cc(C(F)(F)F)cc1OC ZINC000575394355 382768177 /nfs/dbraw/zinc/76/81/77/382768177.db2.gz IQLQOSPJHDLUTD-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)c(OC)cc1C#N ZINC000575394458 382768223 /nfs/dbraw/zinc/76/82/23/382768223.db2.gz LTKZWZDAFQXWKN-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)Cc1c(C)c(C(F)(F)F)ccc1C#N ZINC000575394369 382768269 /nfs/dbraw/zinc/76/82/69/382768269.db2.gz GDFFAPMPUCAKGT-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1c(OC)ccc(C#N)c1OC(F)(F)F ZINC000575394934 382768575 /nfs/dbraw/zinc/76/85/75/382768575.db2.gz UQPUFNGRCLXVKV-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C#N)cc1OC(F)(F)F ZINC000575395209 382768724 /nfs/dbraw/zinc/76/87/24/382768724.db2.gz SCNSXGKQQZAPJT-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN C#C[C@@H](N)c1scc(Br)c1Br ZINC000575457968 382772302 /nfs/dbraw/zinc/77/23/02/382772302.db2.gz PDIRGLXYGKCCJK-RXMQYKEDSA-N 0 0 294.999 2.906 10 30 CFEERN N#CCc1c(Br)cc(N)cc1OC(F)F ZINC000575714835 382794527 /nfs/dbraw/zinc/79/45/27/382794527.db2.gz SXGMCQLVUHOJIP-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN N#CCc1ccc(OC(F)F)c(N)c1Br ZINC000575713828 382794562 /nfs/dbraw/zinc/79/45/62/382794562.db2.gz FSZKHHRFUZRIBR-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1c(CC#N)ccc(C#N)c1OC(F)F ZINC000575640531 382776740 /nfs/dbraw/zinc/77/67/40/382776740.db2.gz ZRQDRYOWTDGULZ-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCc1ccc([N+](=O)[O-])c(OC(F)F)c1CC#N ZINC000575660800 382781034 /nfs/dbraw/zinc/78/10/34/382781034.db2.gz YTKHKSBBIHYFFG-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1c(OC(F)F)ccc([N+](=O)[O-])c1CC#N ZINC000575660600 382781132 /nfs/dbraw/zinc/78/11/32/382781132.db2.gz UPBUNBWKYSSWSC-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCOc1cc(CC#N)c([N+](=O)[O-])cc1C(F)F ZINC000575665703 382782349 /nfs/dbraw/zinc/78/23/49/382782349.db2.gz AUBVYLSIUVJROZ-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN N#CCc1c(N)c(Br)ccc1Br ZINC000575716053 382795042 /nfs/dbraw/zinc/79/50/42/382795042.db2.gz HMYHHDSXAURLMX-UHFFFAOYSA-N 0 0 289.958 2.860 10 30 CFEERN CCOc1cc(CC#N)c(C(F)F)cc1[N+](=O)[O-] ZINC000575668411 382783232 /nfs/dbraw/zinc/78/32/32/382783232.db2.gz XBDXHJMJOWCENN-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(C#N)c1OC(F)(F)F ZINC000575670077 382783467 /nfs/dbraw/zinc/78/34/67/382783467.db2.gz CHHBKQHSJFCHAH-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOC(=O)c1c(C#N)c(OCC)ccc1OCC ZINC000575670091 382783472 /nfs/dbraw/zinc/78/34/72/382783472.db2.gz DFVXJJVMISQNKE-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN CCOc1c(I)ccc(F)c1C#N ZINC000575670298 382783665 /nfs/dbraw/zinc/78/36/65/382783665.db2.gz IWYMYHZFNPUZDL-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN Cc1ccc(C#N)c(C)c1I ZINC000575671629 382783885 /nfs/dbraw/zinc/78/38/85/382783885.db2.gz NJBZYJPOSVHKNR-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN CCOC(=O)Cc1cc(OCC)c(OC(F)F)cc1C#N ZINC000575671298 382783889 /nfs/dbraw/zinc/78/38/89/382783889.db2.gz QCSFHGWYEOKJIT-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1ccc(C)c(I)c1C#N ZINC000575671772 382783939 /nfs/dbraw/zinc/78/39/39/382783939.db2.gz XEFBGBCBYLBWPU-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OCC)cc1OC(F)F ZINC000575671012 382783982 /nfs/dbraw/zinc/78/39/82/382783982.db2.gz OYHZNLNRMYPNBO-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OCC)c(OC(F)F)c1 ZINC000575671936 382784070 /nfs/dbraw/zinc/78/40/70/382784070.db2.gz ZGGNJSHEMZXKAN-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN N#Cc1cc(Br)cc(Cl)c1[N+](=O)[O-] ZINC000575677290 382784489 /nfs/dbraw/zinc/78/44/89/382784489.db2.gz JLYWOUBEUXKGEL-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000575676572 382784558 /nfs/dbraw/zinc/78/45/58/382784558.db2.gz BIUKEUGFEDLVTP-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1cc([N+](=O)[O-])c(Cl)cc1Br ZINC000575678487 382784883 /nfs/dbraw/zinc/78/48/83/382784883.db2.gz VZMJQBIDZRQWHE-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN CCc1cc(I)c(N)cc1CC#N ZINC000575717255 382795222 /nfs/dbraw/zinc/79/52/22/382795222.db2.gz DKKGFFHLKJFBSW-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1c(N)cc(OC(F)F)cc1C(F)(F)F ZINC000575716893 382795244 /nfs/dbraw/zinc/79/52/44/382795244.db2.gz HYINSAVGYINKJW-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1c(N)ccc(OC(F)F)c1OC(F)(F)F ZINC000575717390 382795248 /nfs/dbraw/zinc/79/52/48/382795248.db2.gz PZYXKIQVQBRGTA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#Cc1cc(OC(F)F)c(Br)cc1[N+](=O)[O-] ZINC000575683439 382787157 /nfs/dbraw/zinc/78/71/57/382787157.db2.gz AEYVTCDVRLURTG-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#Cc1cc(O)cc(Br)c1OC(F)(F)F ZINC000575690810 382789037 /nfs/dbraw/zinc/78/90/37/382789037.db2.gz BVTAOKZMCTZBNL-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#Cc1cc(Br)cc(OC(F)(F)F)c1O ZINC000575692215 382789335 /nfs/dbraw/zinc/78/93/35/382789335.db2.gz VRUHAWHTWCMLLX-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN N#Cc1cc(O)cc(OC(F)(F)F)c1Br ZINC000575692497 382789522 /nfs/dbraw/zinc/78/95/22/382789522.db2.gz XQTRTBOGDQJEBD-UHFFFAOYSA-N 0 0 282.015 2.925 10 30 CFEERN COC(=O)c1c(Cl)cc(OC(F)F)cc1C#N ZINC000575342979 382759354 /nfs/dbraw/zinc/75/93/54/382759354.db2.gz FIFZTISASWVLPI-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1OC ZINC000575343553 382759694 /nfs/dbraw/zinc/75/96/94/382759694.db2.gz HUAVNRZLALUCDL-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(Cl)cc(OC(F)F)cc1C#N ZINC000575343014 382759738 /nfs/dbraw/zinc/75/97/38/382759738.db2.gz QALKHVCMLYXSGW-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)c1c(C#N)cc([N+](=O)[O-])cc1C(F)F ZINC000575344126 382759946 /nfs/dbraw/zinc/75/99/46/382759946.db2.gz PKDHPPRNYOPGQV-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575344161 382759948 /nfs/dbraw/zinc/75/99/48/382759948.db2.gz RNSWNHGOYUOXEX-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(C)cc1C(F)F ZINC000575343884 382759974 /nfs/dbraw/zinc/75/99/74/382759974.db2.gz IOWUZIPFJZVGDI-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1c(OC)ccc(C#N)c1C(F)F ZINC000575343660 382760017 /nfs/dbraw/zinc/76/00/17/382760017.db2.gz XBYYYMZXWSLTRP-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc([N+](=O)[O-])cc1C(F)F ZINC000575343738 382760068 /nfs/dbraw/zinc/76/00/68/382760068.db2.gz FCORMGJFPAMKCC-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1C(F)F ZINC000575344145 382760080 /nfs/dbraw/zinc/76/00/80/382760080.db2.gz QPOOMQXDCBTSJJ-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1C ZINC000575344201 382760091 /nfs/dbraw/zinc/76/00/91/382760091.db2.gz VAQSAAGSWGYWCC-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1c(F)cc(C(F)(F)F)cc1C#N ZINC000575344980 382760280 /nfs/dbraw/zinc/76/02/80/382760280.db2.gz LMSOULYKKLJAHV-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1F ZINC000575344856 382760294 /nfs/dbraw/zinc/76/02/94/382760294.db2.gz CCLATARIKMINFU-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(F)c1C(F)(F)F ZINC000575345003 382760336 /nfs/dbraw/zinc/76/03/36/382760336.db2.gz NWMZERCLPLVEKS-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1cc(F)cc(C#N)c1C(F)(F)F ZINC000575345138 382760378 /nfs/dbraw/zinc/76/03/78/382760378.db2.gz YGXPTZHLUKSVEM-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1ccc(C#N)cc1OC(F)(F)F ZINC000575344930 382760382 /nfs/dbraw/zinc/76/03/82/382760382.db2.gz JWGKGDSWADIURT-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN C=CCOC(=O)c1cc(N)ccc1N1CCCC[C@H]1C ZINC000226278798 382826071 /nfs/dbraw/zinc/82/60/71/382826071.db2.gz MHXWLAILUBLDSO-GFCCVEGCSA-N 0 0 274.364 2.990 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000230686435 382862328 /nfs/dbraw/zinc/86/23/28/382862328.db2.gz BGRYUBABVFBTBX-SDBXPKJASA-N 0 0 254.255 2.886 10 30 CFEERN N#Cc1nc(NCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000236420571 382893730 /nfs/dbraw/zinc/89/37/30/382893730.db2.gz DOOTULDCQDPSNI-UHFFFAOYSA-N 0 0 282.303 2.906 10 30 CFEERN N#Cc1cc(F)ccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245849587 383040245 /nfs/dbraw/zinc/04/02/45/383040245.db2.gz KVFYRMCDJMFWQP-CVEARBPZSA-N 0 0 274.339 2.841 10 30 CFEERN C=CCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000247069996 383139455 /nfs/dbraw/zinc/13/94/55/383139455.db2.gz UWEBXJFORURNHU-MJBXVCDLSA-N 0 0 279.380 2.675 10 30 CFEERN Fc1ccc(C#CCN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000246580113 383083504 /nfs/dbraw/zinc/08/35/04/383083504.db2.gz ZGOPDSJEHWDRDJ-SJORKVTESA-N 0 0 273.351 2.821 10 30 CFEERN CN(C)c1ccc(C=Nc2cccc(C(N)=O)c2)cc1 ZINC000254868147 383472207 /nfs/dbraw/zinc/47/22/07/383472207.db2.gz RWSYEYHMIKPQSQ-UHFFFAOYSA-N 0 0 267.332 2.602 10 30 CFEERN C#CCCCC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000192079803 533019544 /nfs/dbraw/zinc/01/95/44/533019544.db2.gz QFGQLDQHWJBBEX-LBPRGKRZSA-N 0 0 275.348 2.685 10 30 CFEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191842625 130315620 /nfs/dbraw/zinc/31/56/20/130315620.db2.gz BUCUZHLEMZDWPC-CABZTGNLSA-N 0 0 278.739 2.965 10 30 CFEERN C=CCO[C@@H]1CCN(c2cc(C)nc(C(C)C)n2)C1 ZINC000302132556 393490520 /nfs/dbraw/zinc/49/05/20/393490520.db2.gz HCUXJDCRXABUCW-CYBMUJFWSA-N 0 0 261.369 2.690 10 30 CFEERN C=C(C)CS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000189684474 393574552 /nfs/dbraw/zinc/57/45/52/393574552.db2.gz FRAIVHQLJSEGRK-NSHDSACASA-N 0 0 286.422 2.576 10 30 CFEERN N#Cc1ccc(CC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000194717917 393715111 /nfs/dbraw/zinc/71/51/11/393715111.db2.gz XTDVNOPQIITUCX-MRXNPFEDSA-N 0 0 292.338 2.741 10 30 CFEERN Cc1ccccc1[C@H](C)NC(=O)c1cc(C#N)cn1C ZINC000080941977 393729107 /nfs/dbraw/zinc/72/91/07/393729107.db2.gz ZSLKHADUDDHILY-LBPRGKRZSA-N 0 0 267.332 2.696 10 30 CFEERN C[C@H](CC#N)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000121122934 393949065 /nfs/dbraw/zinc/94/90/65/393949065.db2.gz SMSODAYZOXPDLB-PWSUYJOCSA-N 0 0 299.296 2.761 10 30 CFEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C#N)c2)O1 ZINC000127041273 394041938 /nfs/dbraw/zinc/04/19/38/394041938.db2.gz LVSRDDXVTMAHRF-QPUJVOFHSA-N 0 0 264.712 2.718 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)N2CCC(C#N)CC2)o1 ZINC000144225291 394246872 /nfs/dbraw/zinc/24/68/72/394246872.db2.gz PVGWWQMPEDABSF-NSHDSACASA-N 0 0 261.325 2.594 10 30 CFEERN Cc1nnc(N2CC[C@H]3CCCC[C@@H]3C2)c(C#N)c1C ZINC000040217691 134857746 /nfs/dbraw/zinc/85/77/46/134857746.db2.gz VIAZCLZSRXTUHJ-ZIAGYGMSSA-N 0 0 270.380 2.982 10 30 CFEERN CCC1CCC(NC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173340806 394375813 /nfs/dbraw/zinc/37/58/13/394375813.db2.gz NJZCKHYXMICJSY-UHFFFAOYSA-N 0 0 289.383 2.887 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000177827612 394385018 /nfs/dbraw/zinc/38/50/18/394385018.db2.gz BZPVJOAYRGXWNX-WDEREUQCSA-N 0 0 299.296 2.748 10 30 CFEERN C=CC(=O)[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000405602833 543021271 /nfs/dbraw/zinc/02/12/71/543021271.db2.gz NDROLJBHUHRHTM-WDEREUQCSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000405693040 543022816 /nfs/dbraw/zinc/02/28/16/543022816.db2.gz RJGFCOUDCNSAGM-WDEREUQCSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405803116 543024189 /nfs/dbraw/zinc/02/41/89/543024189.db2.gz QFWAPWRNGQFWHB-GHMZBOCLSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000405759789 543023727 /nfs/dbraw/zinc/02/37/27/543023727.db2.gz ZSLJYHINIWIOCI-AWEZNQCLSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@@H](CNC(=O)OC(C)(C)C)CC1CC1 ZINC000405870753 543025516 /nfs/dbraw/zinc/02/55/16/543025516.db2.gz AXTODOFXBZQZSC-LLVKDONJSA-N 0 0 253.342 2.683 10 30 CFEERN C=CC(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406013687 543028891 /nfs/dbraw/zinc/02/88/91/543028891.db2.gz BITPELLDOIPOGI-QWRGUYRKSA-N 0 0 253.342 2.825 10 30 CFEERN C=CCCC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406062919 543029308 /nfs/dbraw/zinc/02/93/08/543029308.db2.gz LJMRVJDFHCXAGD-GFCCVEGCSA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406044180 543029488 /nfs/dbraw/zinc/02/94/88/543029488.db2.gz QVCZNLDLLDERNO-MNOVXSKESA-N 0 0 251.326 2.601 10 30 CFEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000182939209 543033857 /nfs/dbraw/zinc/03/38/57/543033857.db2.gz FUKOUTLPFSVSIX-IUCAKERBSA-N 0 0 288.800 2.699 10 30 CFEERN CC#CCNCc1cc(F)ccc1Br ZINC000051663344 397589834 /nfs/dbraw/zinc/58/98/34/397589834.db2.gz RCMZBRVPWWXZKT-UHFFFAOYSA-N 0 0 256.118 2.701 10 30 CFEERN Cc1nnc([C@@H](C)Nc2cc(C)nc(C#N)c2)s1 ZINC000308277914 161551268 /nfs/dbraw/zinc/55/12/68/161551268.db2.gz LQBFTYCLBDPLBO-MRVPVSSYSA-N 0 0 259.338 2.595 10 30 CFEERN O=C1C(Cl)=CC(=NBr)C=C1Cl ZINC000001762860 169755735 /nfs/dbraw/zinc/75/57/35/169755735.db2.gz GXHZHOWLVGLIOS-UHFFFAOYSA-N 0 0 254.898 2.565 10 30 CFEERN O=C1c2ccccc2OC[C@]12O[C@@H]2c1ccccc1 ZINC000003619738 169903239 /nfs/dbraw/zinc/90/32/39/169903239.db2.gz HVDVEAXOLCCDGZ-CVEARBPZSA-N 0 0 252.269 2.772 10 30 CFEERN C#Cc1ccc(C23OCC(C(C)(C)C)(CO2)[C@@H](C#N)O3)cc1 ZINC000005351623 170088664 /nfs/dbraw/zinc/08/86/64/170088664.db2.gz KOTGUJCMDOQJFB-FAEJEUNOSA-N 0 0 297.354 2.780 10 30 CFEERN N#CCSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000005410649 170095595 /nfs/dbraw/zinc/09/55/95/170095595.db2.gz URPLFKOSMXWNOP-UHFFFAOYSA-N 0 0 272.289 2.667 10 30 CFEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000005944311 170160321 /nfs/dbraw/zinc/16/03/21/170160321.db2.gz LZFYMOFNNOUKAT-XNTDXEJSSA-N 0 0 256.265 2.826 10 30 CFEERN CC1=CCC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]132 ZINC000005964432 170163244 /nfs/dbraw/zinc/16/32/44/170163244.db2.gz RCGHAGIMQPCIRT-MYZSUADSSA-N 0 0 260.289 2.762 10 30 biogenic,in-vitro CFEERN C/C(=C\c1ccccc1)C(=O)N(CCC#N)CCC#N ZINC000006295465 170189101 /nfs/dbraw/zinc/18/91/01/170189101.db2.gz 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260.337 2.950 10 30 CFEERN CC(C)COCCCC(=O)Nc1ccccc1C#N ZINC000019847391 170896814 /nfs/dbraw/zinc/89/68/14/170896814.db2.gz ISOFQZHGDAREIU-UHFFFAOYSA-N 0 0 260.337 2.950 10 30 CFEERN N/C(=N\O)c1ccnc(Sc2ccc(Cl)cc2)c1 ZINC000019847705 170897093 /nfs/dbraw/zinc/89/70/93/170897093.db2.gz PCZOWWXXOIFJEE-UHFFFAOYSA-N 0 0 279.752 2.981 10 30 CFEERN N#C[C@H](NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000020175617 171041739 /nfs/dbraw/zinc/04/17/39/171041739.db2.gz WBWQIXXFZWCOQB-HNNXBMFYSA-N 0 0 280.327 2.812 10 30 CFEERN N#C[C@H](NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000020175760 171041997 /nfs/dbraw/zinc/04/19/97/171041997.db2.gz ZRBACGRXQGUZII-AWEZNQCLSA-N 0 0 266.300 2.770 10 30 CFEERN C=CCN[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176235 171042250 /nfs/dbraw/zinc/04/22/50/171042250.db2.gz BNDFOLOXGCAATK-NSHDSACASA-N 0 0 251.127 2.789 10 30 CFEERN C=CCNC(=O)[C@H](C)Nc1ccc(F)cc1Cl ZINC000020315250 171146500 /nfs/dbraw/zinc/14/65/00/171146500.db2.gz UWVRYIYHFBUMEK-QMMMGPOBSA-N 0 0 256.708 2.582 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020316606 171147176 /nfs/dbraw/zinc/14/71/76/171147176.db2.gz ORHIFOMWKIRUFD-SNVBAGLBSA-N 0 0 252.745 2.751 10 30 CFEERN C#CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020368150 171166416 /nfs/dbraw/zinc/16/64/16/171166416.db2.gz RKTCNAKGBOCZQQ-MRVPVSSYSA-N 0 0 271.147 2.543 10 30 CFEERN C#Cc1cccc(N[C@H](C)C(=O)NC2CCCC2)c1 ZINC000020420086 171185969 /nfs/dbraw/zinc/18/59/69/171185969.db2.gz XIICASJAKNZPNN-GFCCVEGCSA-N 0 0 256.349 2.527 10 30 CFEERN CCOC(=O)/C=N\c1ccc(Br)cc1 ZINC000021303857 171301582 /nfs/dbraw/zinc/30/15/82/171301582.db2.gz XLVKRRMSLOIGJU-GHXNOFRVSA-N 0 0 256.099 2.715 10 30 CFEERN CC(=O)C[C@](C#N)(Cc1c[nH]c2ccccc12)C(C)=O ZINC000022001214 171348320 /nfs/dbraw/zinc/34/83/20/171348320.db2.gz SJKMAOLLIRSPQC-MRXNPFEDSA-N 0 0 268.316 2.788 10 30 CFEERN COc1ccc(OC)c(C(=O)/C=C/c2cnn(C)c2C)c1 ZINC000033523214 171812825 /nfs/dbraw/zinc/81/28/25/171812825.db2.gz ZHIGQJLDZOCYFA-FNORWQNLSA-N 0 0 286.331 2.642 10 30 CFEERN CCC(C)(C)N=C(NC#N)Nc1ccc(N(C)C)cc1 ZINC000033855212 171823047 /nfs/dbraw/zinc/82/30/47/171823047.db2.gz LZMRPISGVKEYSS-UHFFFAOYSA-N 0 0 273.384 2.780 10 30 CFEERN C=C(C)C(=O)OCc1ccccc1COC(=O)C(=C)C ZINC000034064370 171830156 /nfs/dbraw/zinc/83/01/56/171830156.db2.gz PSKGPIXYJDYNDB-UHFFFAOYSA-N 0 0 274.316 2.925 10 30 CFEERN CCCCCCCCCCCOS(N)(=O)=O ZINC000034718171 171864720 /nfs/dbraw/zinc/86/47/20/171864720.db2.gz FAIOZMGDFBHCOY-UHFFFAOYSA-N 0 0 251.392 2.737 10 30 CFEERN C=C(C)Cn1c(CCNC(=O)C(=C)C)nc2ccccc21 ZINC000035144417 172009792 /nfs/dbraw/zinc/00/97/92/172009792.db2.gz FFDRFSRLGJADEZ-UHFFFAOYSA-N 0 0 283.375 2.847 10 30 CFEERN CCCCC1N=NC(=S)N1N=Cc1ccccc1OC ZINC000035455974 172206521 /nfs/dbraw/zinc/20/65/21/172206521.db2.gz SCWHIFQDFHZXIA-GDNBJRDFSA-N 0 0 290.392 2.800 10 30 CFEERN CCCC1N=NC(=S)N1N=Cc1ccc(OCC)cc1 ZINC000035455907 172206818 /nfs/dbraw/zinc/20/68/18/172206818.db2.gz GDAWPPLRDJYDFO-GDNBJRDFSA-N 0 0 290.392 2.800 10 30 CFEERN COc1ccccc1/C=C\C(=O)c1nn(C)cc1Cl 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/nfs/dbraw/zinc/83/83/99/173838399.db2.gz VYICFNGWCDGHHS-UHFFFAOYSA-N 0 0 253.305 2.761 10 30 CFEERN CC(C)CN[C@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000037939159 173879039 /nfs/dbraw/zinc/87/90/39/173879039.db2.gz MNEOXURNQIGTPN-OAHLLOKOSA-N 0 0 254.337 2.683 10 30 CFEERN COc1ccc([C@@H](C#N)NC2CC2)cc1Br ZINC000038052198 174064106 /nfs/dbraw/zinc/06/41/06/174064106.db2.gz SYXXIBADUWAHOL-LLVKDONJSA-N 0 0 281.153 2.774 10 30 CFEERN CC[C@H](C)N[C@H](C#N)c1ccc2c(c1)OCCCO2 ZINC000038064533 174075323 /nfs/dbraw/zinc/07/53/23/174075323.db2.gz HIPHHFLYHBUVKC-WCQYABFASA-N 0 0 260.337 2.801 10 30 CFEERN CCOc1ccccc1CN=Nc1nc(C)cs1 ZINC000038204662 174136925 /nfs/dbraw/zinc/13/69/25/174136925.db2.gz MYXUXSCRCTZLAS-ZSOIEALJSA-N 0 0 261.350 2.718 10 30 CFEERN C=CCOc1cc2c(cc1Br)OCC2 ZINC000038285092 174139003 /nfs/dbraw/zinc/13/90/03/174139003.db2.gz PMDIKUHEIFOOAV-UHFFFAOYSA-N 0 0 255.111 2.949 10 30 CFEERN CCOC(=O)CSc1nc2ccccc2cc1C#N ZINC000038601290 174149505 /nfs/dbraw/zinc/14/95/05/174149505.db2.gz IFTFUOSIPRXLSI-UHFFFAOYSA-N 0 0 272.329 2.762 10 30 CFEERN Clc1ccc([C@]2(Cn3cncn3)CO2)c(Cl)c1 ZINC000038815859 174155919 /nfs/dbraw/zinc/15/59/19/174155919.db2.gz XSWWLUJJHSNVIB-NSHDSACASA-N 0 0 270.119 2.511 10 30 CFEERN N#Cc1ccc(NC(=O)c2ccc(C=O)cc2)cc1 ZINC000039073111 174162363 /nfs/dbraw/zinc/16/23/63/174162363.db2.gz KQOBKCAZVSNZKX-UHFFFAOYSA-N 0 0 250.257 2.623 10 30 CFEERN COc1ccc(Oc2nnc(C)c(C)c2C#N)cc1 ZINC000040220586 174206626 /nfs/dbraw/zinc/20/66/26/174206626.db2.gz ZOZLLBGXRNUAES-UHFFFAOYSA-N 0 0 255.277 2.766 10 30 CFEERN Cc1ncsc1C(=O)NC1(C#N)CCCCCC1 ZINC000040221699 174206673 /nfs/dbraw/zinc/20/66/73/174206673.db2.gz FSLVKGVUYGTNCU-UHFFFAOYSA-N 0 0 263.366 2.798 10 30 CFEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccco1 ZINC000040307862 174228857 /nfs/dbraw/zinc/22/88/57/174228857.db2.gz XZKCZLNQLZTXCW-UHFFFAOYSA-N 0 0 281.315 2.599 10 30 CFEERN C=C(C)CN(CC)C(=O)c1ccc(Cl)cc1N ZINC000040309023 174229670 /nfs/dbraw/zinc/22/96/70/174229670.db2.gz ZYJAVODQZUXCRH-UHFFFAOYSA-N 0 0 252.745 2.960 10 30 CFEERN C=C(C)CN(CC)C(=O)c1cc(N)c(F)cc1F ZINC000040309146 174230575 /nfs/dbraw/zinc/23/05/75/174230575.db2.gz ITYXVVGEMMWFNR-UHFFFAOYSA-N 0 0 254.280 2.585 10 30 CFEERN C=CCN(C(=O)c1ccc(Cl)cc1N)C(C)C ZINC000040329000 174237973 /nfs/dbraw/zinc/23/79/73/174237973.db2.gz RIEUQTYYFRUOLQ-UHFFFAOYSA-N 0 0 252.745 2.959 10 30 CFEERN N#Cc1ccsc1NC(=O)CNc1ccccc1 ZINC000040415356 174255493 /nfs/dbraw/zinc/25/54/93/174255493.db2.gz RVSQKBQFKCEBLT-UHFFFAOYSA-N 0 0 257.318 2.670 10 30 CFEERN N#Cc1ccccc1-n1ccnc1-c1ccc(N)cc1 ZINC000040516997 174307553 /nfs/dbraw/zinc/30/75/53/174307553.db2.gz HTDURYRICOKDMW-UHFFFAOYSA-N 0 0 260.300 2.993 10 30 CFEERN Cc1nn([C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C ZINC000040729960 174388293 /nfs/dbraw/zinc/38/82/93/174388293.db2.gz QQPDGGHKQBQSSN-CYBMUJFWSA-N 0 0 282.347 2.880 10 30 CFEERN CN(Cc1cc(C#N)ccc1F)c1cccc(N)c1 ZINC000041022806 174451837 /nfs/dbraw/zinc/45/18/37/174451837.db2.gz OMZAKCIBYFCFTN-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN CN(C)c1cccc(Oc2ccc(N)cc2C#N)c1 ZINC000041021651 174451903 /nfs/dbraw/zinc/45/19/03/174451903.db2.gz LBUOAOXFUCJTRH-UHFFFAOYSA-N 0 0 253.305 2.999 10 30 CFEERN COC(=O)c1cc(N)ccc1Oc1ccc(C#N)cc1 ZINC000041080356 174473740 /nfs/dbraw/zinc/47/37/40/174473740.db2.gz OXKVVOZREIYTSO-UHFFFAOYSA-N 0 0 268.272 2.719 10 30 CFEERN C[C@H](C#N)CN(C)c1c(F)c(F)c(F)c(F)c1F ZINC000042461300 174751718 /nfs/dbraw/zinc/75/17/18/174751718.db2.gz XFGNTCXSMCAKJQ-RXMQYKEDSA-N 0 0 264.197 2.978 10 30 CFEERN N#Cc1cc(N)ccc1N(Cc1ccco1)C1CC1 ZINC000042692977 174841323 /nfs/dbraw/zinc/84/13/23/174841323.db2.gz RAEXWWUEBQBZLD-UHFFFAOYSA-N 0 0 253.305 2.902 10 30 CFEERN COc1ccc(Oc2nc(C)ccc2C#N)c(N)c1 ZINC000043395817 175035592 /nfs/dbraw/zinc/03/55/92/175035592.db2.gz PMHZYYHCPSDVSP-UHFFFAOYSA-N 0 0 255.277 2.645 10 30 CFEERN N#Cc1ccc(Oc2nsnc2Cl)c([N+](=O)[O-])c1 ZINC000043414517 175037852 /nfs/dbraw/zinc/03/78/52/175037852.db2.gz JRVHAIZMIXAQPG-UHFFFAOYSA-N 0 0 282.668 2.764 10 30 CFEERN N#Cc1ccc(OCc2nnsc2Cl)c([N+](=O)[O-])c1 ZINC000043414509 175037906 /nfs/dbraw/zinc/03/79/06/175037906.db2.gz YDQSMTMJQRWOSN-UHFFFAOYSA-N 0 0 296.695 2.550 10 30 CFEERN COc1ccccc1COc1ccc(C#CCO)cc1 ZINC000043457875 175050100 /nfs/dbraw/zinc/05/01/00/175050100.db2.gz BPRKGGYRIYHLLC-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN CC[C@H](C#N)NCc1cc(Br)ccc1F ZINC000043540882 175063887 /nfs/dbraw/zinc/06/38/87/175063887.db2.gz FDCVJZPMOAIIPE-SNVBAGLBSA-N 0 0 271.133 2.980 10 30 CFEERN CC[C@H](C#N)Oc1ccc(Br)cc1CO ZINC000043543039 175064257 /nfs/dbraw/zinc/06/42/57/175064257.db2.gz MVQZGGOKTCTGFN-SNVBAGLBSA-N 0 0 270.126 2.622 10 30 CFEERN CCC(C#N)(CC)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570597 175067971 /nfs/dbraw/zinc/06/79/71/175067971.db2.gz FHZPFIYPTICZRI-UHFFFAOYSA-N 0 0 279.271 2.546 10 30 CFEERN CCCCN(CC)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043581791 175069434 /nfs/dbraw/zinc/06/94/34/175069434.db2.gz KEWPLUCIRJANHN-UHFFFAOYSA-N 0 0 291.366 2.822 10 30 CFEERN CCCN(Cc1sccc1C#CCO)CC(F)(F)F ZINC000043682132 175091194 /nfs/dbraw/zinc/09/11/94/175091194.db2.gz RDVOCULNVMTHHL-UHFFFAOYSA-N 0 0 291.338 2.866 10 30 CFEERN COc1cc(C#N)ccc1OCc1sccc1C#CCO ZINC000043682465 175091300 /nfs/dbraw/zinc/09/13/00/175091300.db2.gz ZWYTZQWREAOLIQ-UHFFFAOYSA-N 0 0 299.351 2.551 10 30 CFEERN O=[N+]([O-])c1cccc(OCc2sccc2C#CCO)c1 ZINC000043683040 175091309 /nfs/dbraw/zinc/09/13/09/175091309.db2.gz DTCWQIQYVKVGJY-UHFFFAOYSA-N 0 0 289.312 2.579 10 30 CFEERN OCC#Cc1ccsc1COc1ccc(F)cc1F ZINC000043682444 175091402 /nfs/dbraw/zinc/09/14/02/175091402.db2.gz BSNCBJWLWOQOMP-UHFFFAOYSA-N 0 0 280.295 2.949 10 30 CFEERN N#CCCN(C(=O)c1cc(Cl)ccc1O)C1CC1 ZINC000044415046 175173014 /nfs/dbraw/zinc/17/30/14/175173014.db2.gz CELVSWAPYZBPDB-UHFFFAOYSA-N 0 0 264.712 2.564 10 30 CFEERN N#CC1(C(=O)Nc2c(F)cccc2F)CCCC1 ZINC000044765369 175249080 /nfs/dbraw/zinc/24/90/80/175249080.db2.gz HDKMPBDVKDHLGG-UHFFFAOYSA-N 0 0 250.248 2.987 10 30 CFEERN Cc1noc(CNc2ccc(C(F)(F)F)cc2C#N)n1 ZINC000045008761 175288669 /nfs/dbraw/zinc/28/86/69/175288669.db2.gz LRCYUSWUJWLLKP-UHFFFAOYSA-N 0 0 282.225 2.881 10 30 CFEERN CC(C)(C)OCc1ccc(F)c(C#CCCO)c1 ZINC000049621491 175495340 /nfs/dbraw/zinc/49/53/40/175495340.db2.gz NCGDKRKFUZTTHI-UHFFFAOYSA-N 0 0 250.313 2.875 10 30 CFEERN OCC#Cc1ccc(COCc2cccs2)cc1 ZINC000049622197 175495371 /nfs/dbraw/zinc/49/53/71/175495371.db2.gz DXRDXYHZIMVSNS-UHFFFAOYSA-N 0 0 258.342 2.809 10 30 CFEERN CC(C)COCc1ccc(F)c(C#CCCO)c1 ZINC000049620951 175495492 /nfs/dbraw/zinc/49/54/92/175495492.db2.gz DSKGCSGVFGVMHV-UHFFFAOYSA-N 0 0 250.313 2.732 10 30 CFEERN N#Cc1ccc(NC2CCC(O)CC2)cc1Cl ZINC000061845709 175656160 /nfs/dbraw/zinc/65/61/60/175656160.db2.gz GFVKJRWHFMNALQ-UHFFFAOYSA-N 0 0 250.729 2.927 10 30 CFEERN COc1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1OC ZINC000071177888 176055536 /nfs/dbraw/zinc/05/55/36/176055536.db2.gz SAVKDTDQIHLAFV-JTQLQIEISA-N 0 0 284.319 2.539 10 30 CFEERN COCCOc1ccc(-c2csc(CC#N)n2)cc1 ZINC000071615116 176234012 /nfs/dbraw/zinc/23/40/12/176234012.db2.gz NCOHZKZWYOXJIL-UHFFFAOYSA-N 0 0 274.345 2.901 10 30 CFEERN CN(C)c1ccc2c(c1)[C@H](C#N)N(c1ccc(O)cc1)C2=O ZINC000071679150 176244268 /nfs/dbraw/zinc/24/42/68/176244268.db2.gz OVDTWWGJQWXHSD-INIZCTEOSA-N 0 0 293.326 2.683 10 30 CFEERN CN(C)c1cccc2c1C(=O)N(Cc1ccccc1)[C@H]2C#N ZINC000071679305 176244473 /nfs/dbraw/zinc/24/44/73/176244473.db2.gz UMKODEURPQIQHD-INIZCTEOSA-N 0 0 291.354 2.973 10 30 CFEERN CCCC#C[C@H]1[C@@H](COCc2ccc(OC)cc2)[C@H]1CO ZINC000575150615 335072981 /nfs/dbraw/zinc/07/29/81/335072981.db2.gz VLZVKHUOEUGETN-FGTMMUONSA-N 0 0 288.387 2.870 10 30 CFEERN N#Cc1cccnc1Oc1c(F)cccc1[N+](=O)[O-] ZINC000075914745 176829597 /nfs/dbraw/zinc/82/95/97/176829597.db2.gz HHNADINVOYFKNU-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1 ZINC000336496802 227065576 /nfs/dbraw/zinc/06/55/76/227065576.db2.gz OSKBBXOKIKYZDN-HIFRSBDPSA-N 0 0 268.360 2.917 10 30 CFEERN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000188483711 260148825 /nfs/dbraw/zinc/14/88/25/260148825.db2.gz KAKAMWZVKRZTMN-NHYWBVRUSA-N 0 0 269.385 2.777 10 30 CFEERN CC[C@H](C#N)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000040363258 260176460 /nfs/dbraw/zinc/17/64/60/260176460.db2.gz RWWITOKAMJEWIB-RXMQYKEDSA-N 0 0 299.204 2.635 10 30 CFEERN C[C@@H](C#N)N(C)Cc1csc(Br)c1 ZINC000043522213 260188676 /nfs/dbraw/zinc/18/86/76/260188676.db2.gz NDVGXAIHUKHXKE-ZETCQYMHSA-N 0 0 259.172 2.854 10 30 CFEERN CC(C)(C)OC(=O)N[C@H]1C=CCCCC[C@@H]1C=O ZINC000072481754 260276527 /nfs/dbraw/zinc/27/65/27/260276527.db2.gz YSAIDHRQPYWOIY-NEPJUHHUSA-N 0 0 253.342 2.825 10 30 CFEERN N#CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109095282 260641934 /nfs/dbraw/zinc/64/19/34/260641934.db2.gz GUFCETIHVRNGQB-QWHCGFSZSA-N 0 0 290.313 2.830 10 30 CFEERN N#CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171749812 261480363 /nfs/dbraw/zinc/48/03/63/261480363.db2.gz GCQWMKJUQIWVPV-VXGBXAGGSA-N 0 0 278.302 2.878 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NCc1ncc(Br)s1 ZINC000308848023 261693867 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266706820 /nfs/dbraw/zinc/70/68/20/266706820.db2.gz AYWSLONYHNVCCQ-WCQYABFASA-N 0 0 292.766 2.917 10 30 CFEERN C[C@H](CCNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C ZINC000194979361 267152365 /nfs/dbraw/zinc/15/23/65/267152365.db2.gz BRCFWLFCSDNOCC-LLVKDONJSA-N 0 0 290.367 2.668 10 30 CFEERN CC(=NNc1nc(C)cc(=O)[nH]1)c1cc2ccccc2o1 ZINC000038365283 275401405 /nfs/dbraw/zinc/40/14/05/275401405.db2.gz MMTZBNQWANEYME-ZDLGFXPLSA-N 0 0 282.303 2.661 10 30 CFEERN C=C1c2ccc3c(c2CC[C@H]1O)C(=O)C(=O)c1c(C)coc1-3 ZINC000006072091 275421216 /nfs/dbraw/zinc/42/12/16/275421216.db2.gz RUJKJFRMCYQMLH-CYBMUJFWSA-N 0 0 294.306 2.954 10 30 CFEERN CNc1c(C#N)cnc2ccc(Br)cc21 ZINC000050842836 277042515 /nfs/dbraw/zinc/04/25/15/277042515.db2.gz XEWOPVBKLAPLJK-UHFFFAOYSA-N 0 0 262.110 2.911 10 30 CFEERN C=C(C)CS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000189684452 277778585 /nfs/dbraw/zinc/77/85/85/277778585.db2.gz FRAIVHQLJSEGRK-LLVKDONJSA-N 0 0 286.422 2.576 10 30 CFEERN Cc1c[nH]c(NC(=O)CN2c3ccccc3CCCC2=O)n1 ZINC000330326501 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520911283 /nfs/dbraw/zinc/91/12/83/520911283.db2.gz YOPXVXIJSAXXPL-BBBYJDLNSA-N 0 0 278.396 2.924 10 30 CFEERN CCN(CC[C@@H](C#N)NC1CC1)c1ccccc1C ZINC000062368010 521156417 /nfs/dbraw/zinc/15/64/17/521156417.db2.gz GXTKRGHUZSWYGK-HNNXBMFYSA-N 0 0 257.381 2.856 10 30 CFEERN CCN(Cc1ccco1)Cc1ccc(F)cc1C#CCO ZINC000049614755 521399304 /nfs/dbraw/zinc/39/93/04/521399304.db2.gz LGRYLKLZTGUNRM-UHFFFAOYSA-N 0 0 287.334 2.785 10 30 CFEERN CCCN(CC(=O)N(C)C)c1ccc(Cl)cc1C#N ZINC000052859710 521530577 /nfs/dbraw/zinc/53/05/77/521530577.db2.gz DPJMNUIOQVXEAA-UHFFFAOYSA-N 0 0 279.771 2.516 10 30 CFEERN CCCn1c(Sc2cccc(Cl)c2C#N)n[nH]c1=O ZINC000061595330 521636334 /nfs/dbraw/zinc/63/63/34/521636334.db2.gz WBSIEDFHBVKZBW-UHFFFAOYSA-N 0 0 294.767 2.658 10 30 CFEERN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)ccc1C#CCCO ZINC000049105439 522293373 /nfs/dbraw/zinc/29/33/73/522293373.db2.gz DCBUNAQOPJHLGM-CHWSQXEVSA-N 0 0 291.366 2.724 10 30 CFEERN CC[C@H](NC(=O)c1ccc(C#CCCO)s1)C(C)C ZINC000049148498 522529319 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/nfs/dbraw/zinc/03/77/70/348037770.db2.gz LSNYKHLDDLXDKK-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN C=CC(=O)c1ccccc1I ZINC000168978965 348049968 /nfs/dbraw/zinc/04/99/68/348049968.db2.gz AVHHINDZJMMBEB-UHFFFAOYSA-N 0 0 258.058 2.660 10 30 CFEERN CN[C@@H](C#N)c1ccc(Br)c(Cl)c1 ZINC000234394326 348220088 /nfs/dbraw/zinc/22/00/88/348220088.db2.gz NCYYCFDVXMQGNF-VIFPVBQESA-N 0 0 259.534 2.887 10 30 CFEERN C#CCN[C@H](C#N)c1cc(Br)c(C)s1 ZINC000227892686 348191846 /nfs/dbraw/zinc/19/18/46/348191846.db2.gz QTRANZDVQADPTL-SECBINFHSA-N 0 0 269.167 2.607 10 30 CFEERN C#CCN[C@@H](C#N)c1cc(Br)c(C)s1 ZINC000227892682 348191881 /nfs/dbraw/zinc/19/18/81/348191881.db2.gz QTRANZDVQADPTL-VIFPVBQESA-N 0 0 269.167 2.607 10 30 CFEERN Cc1cccc(C(=O)[C@H](C)C#N)c1I ZINC000235421500 348226719 /nfs/dbraw/zinc/22/67/19/348226719.db2.gz HYQZFNHRMBBGIT-MRVPVSSYSA-N 0 0 299.111 2.942 10 30 CFEERN O=C(CS)Nc1ccc(Br)c(Cl)c1 ZINC000232187479 348210496 /nfs/dbraw/zinc/21/04/96/348210496.db2.gz KYOLZCYDCVBNPJ-UHFFFAOYSA-N 0 0 280.574 2.971 10 30 CFEERN CS(=O)(=O)OCc1cc(Cl)cc(Br)c1 ZINC000238375220 348245529 /nfs/dbraw/zinc/24/55/29/348245529.db2.gz CIPAXFWJDYRHJA-UHFFFAOYSA-N 0 0 299.573 2.579 10 30 CFEERN N#Cc1cc(OC(F)(F)F)c(Br)cn1 ZINC000238526430 348246335 /nfs/dbraw/zinc/24/63/35/348246335.db2.gz IPPTVMPXCIQFST-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#CCc1ccnc(Br)c1OC(F)(F)F ZINC000238519307 348246579 /nfs/dbraw/zinc/24/65/79/348246579.db2.gz RGXGEDYIFGMXJD-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C=C[C@H](NN)c1cc(Cl)cc(Br)c1 ZINC000236283764 348232424 /nfs/dbraw/zinc/23/24/24/348232424.db2.gz UEFUJCJCGRRABZ-VIFPVBQESA-N 0 0 261.550 2.793 10 30 CFEERN N#CC(C#N)c1ncc(Br)cc1Cl ZINC000306458920 348387843 /nfs/dbraw/zinc/38/78/43/348387843.db2.gz DHRRZLRBDAETHS-UHFFFAOYSA-N 0 0 256.490 2.628 10 30 CFEERN O=C(/C=C\c1ccc(O)cc1O)c1ccc(O)cc1 ZINC000025669644 290858764 /nfs/dbraw/zinc/85/87/64/290858764.db2.gz VDYSHUXENHRSOO-YWEYNIOJSA-N 0 0 256.257 2.700 10 30 biogenic,in-vitro CFEERN CC(C)[C@H](NC(=O)C#CBr)c1cccs1 ZINC000307148411 348396818 /nfs/dbraw/zinc/39/68/18/348396818.db2.gz PHUPZSYGBCIXTP-NSHDSACASA-N 0 0 286.194 2.917 10 30 CFEERN Cc1ccc(Br)c([N+](=O)[O-])c1CC#N ZINC000307521025 348400171 /nfs/dbraw/zinc/40/01/71/348400171.db2.gz YQSAYBHPKKOSCB-UHFFFAOYSA-N 0 0 255.071 2.732 10 30 CFEERN N#Cc1ccc(C(F)(F)F)c(N)c1Br ZINC000307538198 348400186 /nfs/dbraw/zinc/40/01/86/348400186.db2.gz WIMVMYDRSNVAMW-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN Cc1cc(N[C@H]2CCc3cc(N)ccc32)cc(C#N)n1 ZINC000308240531 348403495 /nfs/dbraw/zinc/40/34/95/348403495.db2.gz MNTKGQSFVYUGNQ-INIZCTEOSA-N 0 0 264.332 2.943 10 30 CFEERN N#Cc1cc(N)c(OC(F)(F)F)cc1Br ZINC000396037758 348552647 /nfs/dbraw/zinc/55/26/47/348552647.db2.gz FZCOVIMWGSTNTP-UHFFFAOYSA-N 0 0 281.031 2.802 10 30 CFEERN N#C[C@@]1(Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000087930750 179525864 /nfs/dbraw/zinc/52/58/64/179525864.db2.gz JXKHKNARCAOXRA-LBPRGKRZSA-N 0 0 266.684 2.721 10 30 CFEERN N#CCc1c(N)cc(OC(F)(F)F)cc1Br ZINC000396041318 348552483 /nfs/dbraw/zinc/55/24/83/348552483.db2.gz OKOKEBUHMNFFKQ-UHFFFAOYSA-N 0 0 295.058 2.996 10 30 CFEERN CCOCOc1ccc2cc(C#CCO)ccc2c1 ZINC000087888845 179513134 /nfs/dbraw/zinc/51/31/34/179513134.db2.gz NABQSJMTHLWKPI-UHFFFAOYSA-N 0 0 256.301 2.556 10 30 CFEERN NC(=O)c1c(C(F)(F)F)ccc(F)c1C(F)(F)F ZINC000514269347 348639855 /nfs/dbraw/zinc/63/98/55/348639855.db2.gz FDSMXUPNUUIIMH-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN CCCCCCCCCC(=O)NC[C@@H](CO)OCC ZINC000584601875 348685599 /nfs/dbraw/zinc/68/55/99/348685599.db2.gz JJNPNXGMZQUZQX-AWEZNQCLSA-N 0 0 273.417 2.641 10 30 CFEERN CO[C@H]1CC[C@@H](OS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000584601299 348685762 /nfs/dbraw/zinc/68/57/62/348685762.db2.gz MCKGEVKBOAALFC-BETUJISGSA-N 0 0 284.377 2.658 10 30 CFEERN C[C@]12CC[C@]34O[C@]35CCC(=O)C=C5CC[C@H]4[C@@H]1CC[C@@H]2O ZINC000584602266 348686365 /nfs/dbraw/zinc/68/63/65/348686365.db2.gz BZYIFFHCLGQHJS-UGDFAFBOSA-N 0 0 288.387 2.765 10 30 CFEERN NC(=S)N(CCc1ccccc1)/N=C/c1ccccc1 ZINC000584605611 348687923 /nfs/dbraw/zinc/68/79/23/348687923.db2.gz ZGXHXQUWRKSXCA-QGOAFFKASA-N 0 0 283.400 2.809 10 30 CFEERN CC[C@H](C=O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584608750 348688674 /nfs/dbraw/zinc/68/86/74/348688674.db2.gz XXUBFMADDIZWFY-BXKDBHETSA-N 0 0 255.701 2.925 10 30 CFEERN C=CC[C@@H](Cc1ccc2c(c1)OCO2)C(=O)OCC ZINC000584615323 348690710 /nfs/dbraw/zinc/69/07/10/348690710.db2.gz ZOMONGGPAZDGKF-LBPRGKRZSA-N 0 0 262.305 2.713 10 30 CFEERN N#C[C@H](c1ncco1)[C@@H](CCO)c1c(F)cccc1F ZINC000584627412 348694486 /nfs/dbraw/zinc/69/44/86/348694486.db2.gz YHIANYOJRZTWBZ-ZJUUUORDSA-N 0 0 278.258 2.726 10 30 CFEERN C[Si](C)(C)CN(Cc1ccccc1)C1(C#N)COC1 ZINC000584631714 348695721 /nfs/dbraw/zinc/69/57/21/348695721.db2.gz NRCUIZLNQCEBJR-UHFFFAOYSA-N 0 0 274.440 2.659 10 30 CFEERN Cc1cccc(C2=CC[C@H](OS(C)(=O)=O)CC2)c1 ZINC000584631499 348696154 /nfs/dbraw/zinc/69/61/54/348696154.db2.gz ZOGZSMUZBURZAV-AWEZNQCLSA-N 0 0 266.362 2.907 10 30 CFEERN N#C[C@H](c1cccnc1)[C@@H](CCO)c1ccccc1F ZINC000584633340 348696568 /nfs/dbraw/zinc/69/65/68/348696568.db2.gz DJUNEYADWRPJNT-DZGCQCFKSA-N 0 0 270.307 2.994 10 30 CFEERN Cc1ccc(N)cc1-c1cnc(N(C)C)c(C#N)c1 ZINC000584633534 348696730 /nfs/dbraw/zinc/69/67/30/348696730.db2.gz POVMWTUFPBCPAN-UHFFFAOYSA-N 0 0 252.321 2.577 10 30 CFEERN N#C[C@H](c1cccnc1Cl)S(=O)(=O)c1ccccc1 ZINC000584633635 348697494 /nfs/dbraw/zinc/69/74/94/348697494.db2.gz WYCQUSZYBRHLLW-GFCCVEGCSA-N 0 0 292.747 2.774 10 30 CFEERN N#C[C@@H](c1cocn1)[C@@H](CCO)c1c(F)cccc1F ZINC000584636112 348697970 /nfs/dbraw/zinc/69/79/70/348697970.db2.gz XSPYPZPHBXWYFF-NXEZZACHSA-N 0 0 278.258 2.726 10 30 CFEERN N#C[C@@H](c1cc(F)cc(F)c1)[C@H](CCO)c1cnco1 ZINC000584638705 348699621 /nfs/dbraw/zinc/69/96/21/348699621.db2.gz UAVRKMUXLHHFDF-STQMWFEESA-N 0 0 278.258 2.726 10 30 CFEERN C#CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000584651776 348702013 /nfs/dbraw/zinc/70/20/13/348702013.db2.gz FRFBMRMDIHHONO-UHFFFAOYSA-N 0 0 264.733 2.900 10 30 CFEERN Cc1ccc(C#N)cc1NS(=O)(=O)CCC(C)C ZINC000104438719 186002186 /nfs/dbraw/zinc/00/21/86/186002186.db2.gz NYOLXIFZTFKDBM-UHFFFAOYSA-N 0 0 266.366 2.655 10 30 CFEERN C=CCN1C[C@H](c2ccc(Br)cc2)OCC1=O ZINC000090750599 180035708 /nfs/dbraw/zinc/03/57/08/180035708.db2.gz JXBCSRRHKYEMOP-GFCCVEGCSA-N 0 0 296.164 2.535 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1ccncc1Br ZINC000599417309 350433963 /nfs/dbraw/zinc/43/39/63/350433963.db2.gz VLMRTMGPLFLYHZ-BXKDBHETSA-N 0 0 280.169 2.626 10 30 CFEERN Cc1cnn(CCNc2ccc(Cl)cc2C#N)c1 ZINC000108949077 186237582 /nfs/dbraw/zinc/23/75/82/186237582.db2.gz ZFNRNBAQZKTKOB-UHFFFAOYSA-N 0 0 260.728 2.829 10 30 CFEERN COc1ccc(C(CNC(=O)OC(C)(C)C)=NO)cc1F ZINC000606303048 351261599 /nfs/dbraw/zinc/26/15/99/351261599.db2.gz ZGLRAZQAQPWUMF-UHFFFAOYSA-N 0 0 298.314 2.537 10 30 CFEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)cc1Cl ZINC000609500909 351504170 /nfs/dbraw/zinc/50/41/70/351504170.db2.gz PONCOUUBKBXTML-JQWIXIFHSA-N 0 0 250.729 2.927 10 30 CFEERN C[C@@H]1CC[C@@H](CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000130435059 187493845 /nfs/dbraw/zinc/49/38/45/187493845.db2.gz GNIVXKMJYLRDSG-UKRRQHHQSA-N 0 0 298.386 2.974 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1nc2c(s1)CCCC2 ZINC000612586458 351839568 /nfs/dbraw/zinc/83/95/68/351839568.db2.gz VVKQRCZTCJLXER-WDEREUQCSA-N 0 0 261.394 2.804 10 30 CFEERN C=CCC[C@H](C)Nc1cccc(-n2nnnc2C)c1 ZINC000130652815 187510665 /nfs/dbraw/zinc/51/06/65/187510665.db2.gz BYXRVAQTTKFHOJ-NSHDSACASA-N 0 0 257.341 2.737 10 30 CFEERN N#Cc1cccc([C@@H]2CNc3ccccc3N2CCO)c1 ZINC000616585068 352375483 /nfs/dbraw/zinc/37/54/83/352375483.db2.gz PUORQZJKODBQOG-KRWDZBQOSA-N 0 0 279.343 2.524 10 30 CFEERN C#CCCCCC(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000155397823 188203557 /nfs/dbraw/zinc/20/35/57/188203557.db2.gz WIMVLVHXKMHFMX-CYBMUJFWSA-N 0 0 281.396 2.807 10 30 CFEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000156690478 188277311 /nfs/dbraw/zinc/27/73/11/188277311.db2.gz IQEGOBPMJPIXHJ-PELKAZGASA-N 0 0 264.712 2.575 10 30 CFEERN C[C@H]1C[C@H]1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000170793456 188691920 /nfs/dbraw/zinc/69/19/20/188691920.db2.gz XBWORFLNKCRLDE-GXSJLCMTSA-N 0 0 260.341 2.645 10 30 CFEERN N#Cc1ccc(N[C@@H]2CCOc3ccccc32)cn1 ZINC000149335093 283180663 /nfs/dbraw/zinc/18/06/63/283180663.db2.gz NCWJFZSHTIFOKK-CQSZACIVSA-N 0 0 251.289 2.889 10 30 CFEERN COc1ccc(C#CC(=O)OC(C)(C)C)cc1F ZINC000675078092 540675510 /nfs/dbraw/zinc/67/55/10/540675510.db2.gz AXAPZTMADGUKLK-UHFFFAOYSA-N 0 0 250.269 2.528 10 30 CFEERN C=CC[C@@H](C)NC(=O)N[C@H](C)COCc1ccccc1 ZINC000176863271 189012184 /nfs/dbraw/zinc/01/21/84/189012184.db2.gz YGOKTBXEHYHWRZ-ZIAGYGMSSA-N 0 0 276.380 2.856 10 30 CFEERN C=CCCCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177189245 189035015 /nfs/dbraw/zinc/03/50/15/189035015.db2.gz INIZLLQOFDPGTF-AWEZNQCLSA-N 0 0 261.369 2.539 10 30 CFEERN C#CCCCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000179647299 189209989 /nfs/dbraw/zinc/20/99/89/189209989.db2.gz HZLGAONIHGQABZ-AWEZNQCLSA-N 0 0 257.333 2.820 10 30 CFEERN C#CCCCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000179645919 189209991 /nfs/dbraw/zinc/20/99/91/189209991.db2.gz ZOONAGBNXFDZCK-ZDUSSCGKSA-N 0 0 287.359 2.829 10 30 CFEERN C[C@@H]1C[C@H](C(=O)Nc2nn(C)cc2C#N)CC(C)(C)C1 ZINC000180850257 189279605 /nfs/dbraw/zinc/27/96/05/189279605.db2.gz IVDDDVDOHAIIMI-MNOVXSKESA-N 0 0 274.368 2.693 10 30 CFEERN N#Cc1cc(F)c(NCC2(O)CCSCC2)c(F)c1 ZINC000301517223 201042141 /nfs/dbraw/zinc/04/21/41/201042141.db2.gz DFUHWWJWTVQGTN-UHFFFAOYSA-N 0 0 284.331 2.506 10 30 CFEERN Cc1c(Nc2ccc(C#N)nn2)cnn1CCC(C)C ZINC000301912090 201258454 /nfs/dbraw/zinc/25/84/54/201258454.db2.gz BURKIXCZCOBPSJ-UHFFFAOYSA-N 0 0 270.340 2.643 10 30 CFEERN Cc1ccc(C#N)c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000186152564 189431368 /nfs/dbraw/zinc/43/13/68/189431368.db2.gz UIBOLAQBHMEJKH-GJZGRUSLSA-N 0 0 299.399 2.536 10 30 CFEERN Cc1cc(Nc2ccc(OCCO)c(C)c2)c(C#N)c(C)n1 ZINC000302145372 201365330 /nfs/dbraw/zinc/36/53/30/201365330.db2.gz GMHFGUPLHIJDBI-UHFFFAOYSA-N 0 0 297.358 2.993 10 30 CFEERN Cc1nc(CN(C)c2c(Cl)cccc2C#N)no1 ZINC000302154226 201368681 /nfs/dbraw/zinc/36/86/81/201368681.db2.gz ILFHHUKBUUOLNE-UHFFFAOYSA-N 0 0 262.700 2.540 10 30 CFEERN C=C(C)CS(=O)(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000189697660 189543204 /nfs/dbraw/zinc/54/32/04/189543204.db2.gz LTXXYWXMELITQF-ZDUSSCGKSA-N 0 0 298.364 2.541 10 30 CFEERN N#Cc1cc(Br)cnc1OCC1CC1 ZINC000211560296 189687897 /nfs/dbraw/zinc/68/78/97/189687897.db2.gz FTFNOSXDVKDVDH-UHFFFAOYSA-N 0 0 253.099 2.505 10 30 CFEERN C=C(Cl)CC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961226 541476171 /nfs/dbraw/zinc/47/61/71/541476171.db2.gz DHWVFYGIUMSHJG-VHSXEESVSA-N 0 0 273.760 2.859 10 30 CFEERN CC(C)=CC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685961232 541476459 /nfs/dbraw/zinc/47/64/59/541476459.db2.gz DIAFZVRGFXCVDQ-WDEREUQCSA-N 0 0 253.342 2.683 10 30 CFEERN C=CC[C@@H](C)C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000685962029 541477571 /nfs/dbraw/zinc/47/75/71/541477571.db2.gz RUIIZFXJQJXBBB-SNVBAGLBSA-N 0 0 253.342 2.635 10 30 CFEERN C=CC(=O)C[C@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000685959266 541473774 /nfs/dbraw/zinc/47/37/74/541473774.db2.gz PVXUMJNJYWJYBK-AWEZNQCLSA-N 0 0 253.342 2.825 10 30 CFEERN C/C=C/C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000685959177 541473843 /nfs/dbraw/zinc/47/38/43/541473843.db2.gz NGBHWKDJKGRGMU-VOTSOKGWSA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000685960679 541474640 /nfs/dbraw/zinc/47/46/40/541474640.db2.gz YOGCYCZIABRYPA-GHMZBOCLSA-N 0 0 253.342 2.635 10 30 CFEERN COc1ccc(/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 ZINC000003349510 371793264 /nfs/dbraw/zinc/79/32/64/371793264.db2.gz KXJIGFQDCLKCBO-RIYZIHGNSA-N 0 0 276.248 2.956 10 30 CFEERN CC(C)CCOC(=O)C[C@H](S)C(=O)OCCC(C)C ZINC000004262047 371846102 /nfs/dbraw/zinc/84/61/02/371846102.db2.gz HHNLQBYPOOATIP-LBPRGKRZSA-N 0 0 290.425 2.854 10 30 endogenous,in-man CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 ZINC000013136382 372016563 /nfs/dbraw/zinc/01/65/63/372016563.db2.gz GCEQJUADWFNJDR-OUEQLNLTSA-N 0 0 288.263 2.867 10 30 CFEERN COc1ccc2c(c1)C/C(=C\c1ccncc1)C2=O ZINC000013736269 372045950 /nfs/dbraw/zinc/04/59/50/372045950.db2.gz BXGNPXHVZUSSGT-MDWZMJQESA-N 0 0 251.285 2.913 10 30 CFEERN CCCCC[C@H](O)/C=C/C=C/C#CC#CCCCO ZINC000013835245 372051703 /nfs/dbraw/zinc/05/17/03/372051703.db2.gz UYZBGAFJAALREV-WHLLTAFYSA-N 0 0 260.377 2.819 10 30 in-vitro CFEERN C=C[C@@H](O)C#CC#C[C@H](O)/C=C\CCCCCCC ZINC000028537734 372365785 /nfs/dbraw/zinc/36/57/85/372365785.db2.gz QWCNQXNAFCBLLV-QYRJGMMTSA-N 0 0 260.377 2.818 10 30 endogenous,in-man CFEERN C/C(=N/OC(=O)c1cccnc1Cl)c1oc(C)nc1C ZINC000033380798 372493169 /nfs/dbraw/zinc/49/31/69/372493169.db2.gz QUUSHYUCXOAUSJ-IUXPMGMMSA-N 0 0 293.710 2.921 10 30 CFEERN Cn1ccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)n1 ZINC000033523203 372495479 /nfs/dbraw/zinc/49/54/79/372495479.db2.gz HOPYTJGWNCGDBS-DAXSKMNVSA-N 0 0 278.258 2.918 10 30 CFEERN CCOc1ccc2nc(NC(=O)CS)sc2c1 ZINC000033637031 372498558 /nfs/dbraw/zinc/49/85/58/372498558.db2.gz PENUZPQXEOSXGJ-UHFFFAOYSA-N 0 0 268.363 2.563 10 30 CFEERN C[C@@H](C#N)CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000047979441 373137490 /nfs/dbraw/zinc/13/74/90/373137490.db2.gz QVAPYTRGUDKWED-STQMWFEESA-N 0 0 254.337 2.683 10 30 CFEERN CCCOc1ccc(Oc2nccnc2C#N)cc1 ZINC000054379950 373522592 /nfs/dbraw/zinc/52/25/92/373522592.db2.gz YGFODZOSKVFZRN-UHFFFAOYSA-N 0 0 255.277 2.929 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2n1 ZINC000061888589 373734869 /nfs/dbraw/zinc/73/48/69/373734869.db2.gz MKMMPBJLASCBJT-GXTWGEPZSA-N 0 0 265.316 2.657 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000061889034 373734946 /nfs/dbraw/zinc/73/49/46/373734946.db2.gz ZFJLODXZIZTBBV-AAEUAGOBSA-N 0 0 262.740 2.691 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061889404 373736269 /nfs/dbraw/zinc/73/62/69/373736269.db2.gz RCTHEIQNBNFMDT-KCJUWKMLSA-N 0 0 265.263 2.779 10 30 CFEERN CC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889456 373736338 /nfs/dbraw/zinc/73/63/38/373736338.db2.gz PZNYKBJNIHCDFR-OCCSQVGLSA-N 0 0 271.320 2.703 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000073640170 374362811 /nfs/dbraw/zinc/36/28/11/374362811.db2.gz USQMLKPZUYTDKY-UHFFFAOYSA-N 0 0 285.255 2.953 10 30 CFEERN CSc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000092213081 375095473 /nfs/dbraw/zinc/09/54/73/375095473.db2.gz NYSJPUZVKLKKAT-JQWIXIFHSA-N 0 0 260.362 2.831 10 30 CFEERN Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(Cl)n1 ZINC000096300549 375484051 /nfs/dbraw/zinc/48/40/51/375484051.db2.gz PKDFDJUDEVKSSO-ROCHPLJESA-N 0 0 258.774 2.925 10 30 CFEERN CC(=O)C(=CNc1ccc(Cl)cn1)C(=O)C(F)(F)F ZINC000100068249 375613404 /nfs/dbraw/zinc/61/34/04/375613404.db2.gz BSWSLZFANXAGCE-YVMONPNESA-N 0 0 292.644 2.751 10 30 CFEERN CCCCCCCCCC[C@H](O)COCCOCCO ZINC000100355810 375619706 /nfs/dbraw/zinc/61/97/06/375619706.db2.gz XAKJPEDIIFHZPU-INIZCTEOSA-N 0 0 290.444 2.904 10 30 CFEERN CCOC(=O)c1ccc(N2CCC(C#N)CC2)c(F)c1 ZINC000098178492 375608150 /nfs/dbraw/zinc/60/81/50/375608150.db2.gz NGVXXJISDIGUDO-UHFFFAOYSA-N 0 0 276.311 2.742 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)[C@H](C)COC ZINC000103387518 375737585 /nfs/dbraw/zinc/73/75/85/375737585.db2.gz PVLCZLJYHVKKFZ-CQSZACIVSA-N 0 0 261.365 2.526 10 30 CFEERN C[C@@H]1C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000103869393 375759262 /nfs/dbraw/zinc/75/92/62/375759262.db2.gz DXTSMUAKNOSSLO-WBMJQRKESA-N 0 0 299.374 2.519 10 30 CFEERN C=CCN(CC1CCCCC1)C(=O)[C@H](C)COC ZINC000112184051 375888702 /nfs/dbraw/zinc/88/87/02/375888702.db2.gz KCPZCVLIDORWLJ-CYBMUJFWSA-N 0 0 253.386 2.864 10 30 CFEERN N#Cc1n[nH]c2cc(Cl)c(Br)cc12 ZINC000261508595 190040317 /nfs/dbraw/zinc/04/03/17/190040317.db2.gz VAOTTYUQWKSNBI-UHFFFAOYSA-N 0 0 256.490 2.850 10 30 CFEERN C[C@H]1OCC[C@H]1Nc1ccc(Br)cc1C#N ZINC000134217403 377993364 /nfs/dbraw/zinc/99/33/64/377993364.db2.gz WCVIUFZHZGHNQR-LDYMZIIASA-N 0 0 281.153 2.910 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000135025678 378075487 /nfs/dbraw/zinc/07/54/87/378075487.db2.gz VNVLNIVDAUQLOV-GDBMZVCRSA-N 0 0 275.396 2.957 10 30 CFEERN N#Cc1ccc(CN[C@H]2CCOc3ccccc32)o1 ZINC000135130413 378087722 /nfs/dbraw/zinc/08/77/22/378087722.db2.gz PCEZCUIZNWFTLN-AWEZNQCLSA-N 0 0 254.289 2.765 10 30 CFEERN CCCC(C#N)(CCC)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000157133231 378651252 /nfs/dbraw/zinc/65/12/52/378651252.db2.gz ICZHFBQRENDBCZ-NEPJUHHUSA-N 0 0 252.358 2.533 10 30 CFEERN Cc1csc([C@H]2CN(CCCCC#N)CCO2)n1 ZINC000171037422 379215629 /nfs/dbraw/zinc/21/56/29/379215629.db2.gz HYQGVFIOBMYPPG-GFCCVEGCSA-N 0 0 265.382 2.519 10 30 CFEERN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCS1 ZINC000171402398 379299049 /nfs/dbraw/zinc/29/90/49/379299049.db2.gz HJMZKXYSMKQBOZ-VIFPVBQESA-N 0 0 279.340 2.667 10 30 CFEERN N#CCCCCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000171738536 379389644 /nfs/dbraw/zinc/38/96/44/379389644.db2.gz VYDSSNHSMUTDDE-ZDUSSCGKSA-N 0 0 273.336 2.503 10 30 CFEERN C=CCOC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174029029 379817402 /nfs/dbraw/zinc/81/74/02/379817402.db2.gz OARBGQXVJVYQRH-RYUDHWBXSA-N 0 0 283.368 2.799 10 30 CFEERN C=CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000175506876 380076629 /nfs/dbraw/zinc/07/66/29/380076629.db2.gz CSUMLENKIKLGPZ-GFCCVEGCSA-N 0 0 263.297 2.531 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2cnccc21 ZINC000336080256 380262657 /nfs/dbraw/zinc/26/26/57/380262657.db2.gz FGBFLKUTBSGFEK-ABAIWWIYSA-N 0 0 265.316 2.657 10 30 CFEERN C[C@H](C#N)CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000182758704 381152126 /nfs/dbraw/zinc/15/21/26/381152126.db2.gz KIOWZKXXSRZWNT-MNOVXSKESA-N 0 0 278.381 2.539 10 30 CFEERN N#CCCn1cc(-c2cnn(Cc3ccccc3)c2)cn1 ZINC000049592513 412947148 /nfs/dbraw/zinc/94/71/48/412947148.db2.gz RLAXFRZVUJVAJQ-UHFFFAOYSA-N 0 0 277.331 2.709 10 30 CFEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000185612987 381681228 /nfs/dbraw/zinc/68/12/28/381681228.db2.gz QACWBKFTEWZCMD-CQSZACIVSA-N 0 0 287.407 2.659 10 30 CFEERN C=CCO[C@H]1CCN(c2cc(C)nc(-c3cccnc3)n2)C1 ZINC000302140627 382208349 /nfs/dbraw/zinc/20/83/49/382208349.db2.gz JDWGBIRVJAVLGV-HNNXBMFYSA-N 0 0 296.374 2.628 10 30 CFEERN C=CCO[C@H]1CCN(c2nc3ccccc3cc2CO)C1 ZINC000302147360 382210265 /nfs/dbraw/zinc/21/02/65/382210265.db2.gz LCGDPCHBPIVEDP-HNNXBMFYSA-N 0 0 284.359 2.508 10 30 CFEERN C=CCO[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000302161224 382212612 /nfs/dbraw/zinc/21/26/12/382212612.db2.gz NYVBBTLWGXBUFV-LLVKDONJSA-N 0 0 264.275 2.618 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000302166956 382212641 /nfs/dbraw/zinc/21/26/41/382212641.db2.gz OZKKFVSIDOXTCE-CYBMUJFWSA-N 0 0 262.309 2.685 10 30 CFEERN CC[C@]1(C)CN(c2cc(C)nc(C)c2C#N)CCO1 ZINC000302666469 382286176 /nfs/dbraw/zinc/28/61/76/382286176.db2.gz MQSTWYALERETOQ-OAHLLOKOSA-N 0 0 259.353 2.575 10 30 CFEERN Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccccc2)nc1 ZINC000000419814 169636183 /nfs/dbraw/zinc/63/61/83/169636183.db2.gz FVLMRQMJYGSSMA-CQSZACIVSA-N 0 0 265.316 2.711 10 30 CFEERN N#Cc1nc(N2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000302738036 382306899 /nfs/dbraw/zinc/30/68/99/382306899.db2.gz PXIYMFXUUSQMOX-UHFFFAOYSA-N 0 0 260.297 2.632 10 30 CFEERN C[C@H](CNc1c(C#N)cccc1C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000302860106 382335485 /nfs/dbraw/zinc/33/54/85/382335485.db2.gz UMPHCWHUCTZHCD-ZIAGYGMSSA-N 0 0 282.391 2.962 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(O)c1Br ZINC000315370246 382527155 /nfs/dbraw/zinc/52/71/55/382527155.db2.gz NRYCTSMCCDBVOX-GXSJLCMTSA-N 0 0 295.180 2.937 10 30 CFEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccco1 ZINC000328616594 382555262 /nfs/dbraw/zinc/55/52/62/382555262.db2.gz BUYWJVHWEAPDNS-YRGRVCCFSA-N 0 0 280.368 2.905 10 30 CFEERN CCN(C[C@@H]1CCCO1)c1nc2c(cc1C#N)CCCC2 ZINC000043410204 184559595 /nfs/dbraw/zinc/55/95/95/184559595.db2.gz OHXYZORDDFCOKB-HNNXBMFYSA-N 0 0 285.391 2.837 10 30 CFEERN O=C(C#Cc1ccccc1)COCc1ccccc1 ZINC000390799259 382618820 /nfs/dbraw/zinc/61/88/20/382618820.db2.gz MWVBJBXNZWGZII-UHFFFAOYSA-N 0 0 250.297 2.824 10 30 CFEERN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCO[C@H]1C ZINC000190484436 382670362 /nfs/dbraw/zinc/67/03/62/382670362.db2.gz GHQBKWYNDAVTIR-YOEHRIQHSA-N 0 0 298.386 2.888 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(OC(F)F)c1Cl ZINC000575382392 382762877 /nfs/dbraw/zinc/76/28/77/382762877.db2.gz HKLYBJIQGVEOGQ-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)c1ccc(C#N)c(OC(F)(F)F)c1Cl ZINC000575382923 382763097 /nfs/dbraw/zinc/76/30/97/382763097.db2.gz SLTYZDIYABEZBP-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)c1c(C#N)ccc(Cl)c1OC(F)(F)F ZINC000575382880 382763160 /nfs/dbraw/zinc/76/31/60/382763160.db2.gz MNGZGDAURODAFV-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN CCOC(=O)Cc1c(CC)ccc(Cl)c1C#N ZINC000575382553 382763172 /nfs/dbraw/zinc/76/31/72/382763172.db2.gz ZLHHQHKCRKELGN-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(C(F)(F)F)c1C#N ZINC000575383330 382763493 /nfs/dbraw/zinc/76/34/93/382763493.db2.gz PWJACIUFUXSKRR-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1Cl ZINC000575383480 382763589 /nfs/dbraw/zinc/76/35/89/382763589.db2.gz XCMRQESVRRDABV-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1OC(F)F ZINC000575385270 382763891 /nfs/dbraw/zinc/76/38/91/382763891.db2.gz HPFIVBZYDGVOCM-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1CC ZINC000575385311 382763943 /nfs/dbraw/zinc/76/39/43/382763943.db2.gz JZPHEKUGXHTONU-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCc1cc(OC(F)F)cc(C(=O)OC)c1C#N ZINC000575385233 382763953 /nfs/dbraw/zinc/76/39/53/382763953.db2.gz DYEPRYNVVHDIJS-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)Cc1c(C#N)c(OC(F)F)ccc1C(F)F ZINC000575385546 382764120 /nfs/dbraw/zinc/76/41/20/382764120.db2.gz ZGPNFGAIZXIXTF-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)Cc1ccc(C(F)F)c(C#N)c1OC(F)F ZINC000575385421 382764165 /nfs/dbraw/zinc/76/41/65/382764165.db2.gz PNJSEDTZALUJKH-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)c1c(CC)cc(C#N)cc1OC(F)F ZINC000575385478 382764226 /nfs/dbraw/zinc/76/42/26/382764226.db2.gz UBFVINMGUBLOOZ-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1ccc(C#N)c(C(F)F)c1OC(F)F ZINC000575385408 382764305 /nfs/dbraw/zinc/76/43/05/382764305.db2.gz OPGGVKGBLFJHDR-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCc1c(C#N)cc(OC(F)F)cc1C(=O)OC ZINC000575385435 382764361 /nfs/dbraw/zinc/76/43/61/382764361.db2.gz QPCKMZFHPGBFCG-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)c1cc(OC(F)F)c(C(F)(F)F)cc1C#N ZINC000575386850 382764451 /nfs/dbraw/zinc/76/44/51/382764451.db2.gz LIRHWAHLYPHZTO-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1c(OC(F)F)ccc(C)c1C#N ZINC000575388492 382764875 /nfs/dbraw/zinc/76/48/75/382764875.db2.gz LCKJANHLCIRAJF-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1cc(C#N)c(OC(F)(F)F)cc1C(=O)OC ZINC000575388924 382765152 /nfs/dbraw/zinc/76/51/52/382765152.db2.gz LKTNQCPFLUGQHE-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(C#N)cc(OC(F)(F)F)c1C(=O)OC ZINC000575388919 382765268 /nfs/dbraw/zinc/76/52/68/382765268.db2.gz LCFQVHVEJZJPJT-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1c(CC(=O)OC)cc(C#N)cc1C(F)(F)F ZINC000575389575 382765800 /nfs/dbraw/zinc/76/58/00/382765800.db2.gz KDIXMLFDENKVPQ-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1ccc(C(=O)OC)c(C#N)c1C(F)(F)F ZINC000575390178 382766173 /nfs/dbraw/zinc/76/61/73/382766173.db2.gz YYGMAGPUHKHFHI-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1c(C#N)c(F)ccc1C(F)F ZINC000575389866 382766177 /nfs/dbraw/zinc/76/61/77/382766177.db2.gz SDASAXNZCADZSP-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1c(C#N)c(CC(=O)OC)ccc1C(F)(F)F ZINC000575389891 382766205 /nfs/dbraw/zinc/76/62/05/382766205.db2.gz UGDPFKWXRHPCGC-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1cc(C#N)c(F)cc1OC(F)(F)F ZINC000575390420 382766213 /nfs/dbraw/zinc/76/62/13/382766213.db2.gz KKRFHMOLDCBITO-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1c(F)ccc(OC(F)(F)F)c1C#N ZINC000575390574 382766390 /nfs/dbraw/zinc/76/63/90/382766390.db2.gz ZNZWRWGVICTOBD-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1O ZINC000575391752 382766724 /nfs/dbraw/zinc/76/67/24/382766724.db2.gz HSTPSIHLKBODGD-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1cc(C#N)c(SC(F)(F)F)c(C=O)c1 ZINC000575391763 382766748 /nfs/dbraw/zinc/76/67/48/382766748.db2.gz SRJCODLVBSNJCB-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)Cc1cc(SC(F)(F)F)c(O)cc1C#N ZINC000575392344 382767079 /nfs/dbraw/zinc/76/70/79/382767079.db2.gz UMYXTFXZQVKANQ-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)Cc1ccc(O)c(C#N)c1SC(F)(F)F ZINC000575391984 382767262 /nfs/dbraw/zinc/76/72/62/382767262.db2.gz JMKAERINVQUPFW-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)cc(O)c1C#N ZINC000575392332 382767294 /nfs/dbraw/zinc/76/72/94/382767294.db2.gz SYQDBDIPWHJGHV-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1c(C#N)cc(OC)cc1SC(F)(F)F ZINC000575394231 382767871 /nfs/dbraw/zinc/76/78/71/382767871.db2.gz IPPAMPGNSZQVBH-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1cc(OC)c(C#N)c(OC(F)(F)F)c1 ZINC000575394039 382767880 /nfs/dbraw/zinc/76/78/80/382767880.db2.gz FXYAKYGLBLXXAU-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN CCOC(=O)Cc1cc(C)cc(OC(F)(F)F)c1C#N ZINC000575394697 382768263 /nfs/dbraw/zinc/76/82/63/382768263.db2.gz LOUMOXCIOFZGIG-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)Cc1ccc(C(F)(F)F)c(C)c1C#N ZINC000575394664 382768282 /nfs/dbraw/zinc/76/82/82/382768282.db2.gz IVGNRPMOOXYWRM-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN COC(=O)Cc1cc(C)c(C(F)(F)F)c(C#N)c1 ZINC000575394347 382768299 /nfs/dbraw/zinc/76/82/99/382768299.db2.gz FBNOGXULLNRRGE-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)c1cc(OC)cc(C#N)c1C(F)(F)F ZINC000575395146 382768447 /nfs/dbraw/zinc/76/84/47/382768447.db2.gz YCTBIENFHOXSAH-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C)c1C#N ZINC000575395105 382768503 /nfs/dbraw/zinc/76/85/03/382768503.db2.gz OIGJXKITMJTTIW-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1OC ZINC000575394912 382768583 /nfs/dbraw/zinc/76/85/83/382768583.db2.gz SPHVMLVWQFPSHK-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1OC ZINC000575394920 382768597 /nfs/dbraw/zinc/76/85/97/382768597.db2.gz TVHVHXAYUJCOAY-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575395717 382768747 /nfs/dbraw/zinc/76/87/47/382768747.db2.gz MZUICAZESUKSPB-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(C)cc1C(F)(F)F ZINC000575395230 382768897 /nfs/dbraw/zinc/76/88/97/382768897.db2.gz SXJDHNWDNABFLN-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN COC(=O)Cc1c(C#N)cc(C)cc1C(F)(F)F ZINC000575395207 382768936 /nfs/dbraw/zinc/76/89/36/382768936.db2.gz RYHZNHDLFMANII-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1c(C)ccc(C#N)c1C(F)(F)F ZINC000575395292 382768943 /nfs/dbraw/zinc/76/89/43/382768943.db2.gz WTTGFJKFRPUZFJ-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN N#CCc1nccc(OC(F)F)c1C(F)(F)F ZINC000575396938 382769187 /nfs/dbraw/zinc/76/91/87/382769187.db2.gz WSPQAWBTFBBVOT-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1cnc(OC(F)F)c(C(F)(F)F)c1 ZINC000575396870 382769250 /nfs/dbraw/zinc/76/92/50/382769250.db2.gz SJLITYKTJMMULU-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1cc(OC(F)F)c(C(F)(F)F)cn1 ZINC000575396915 382769325 /nfs/dbraw/zinc/76/93/25/382769325.db2.gz JUPPICYUBDMYFM-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN N#CCc1ccc(OC(F)F)c(C(F)(F)F)n1 ZINC000575396893 382769333 /nfs/dbraw/zinc/76/93/33/382769333.db2.gz AIRRKJBKWVWXDE-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CC(F)(F)COc1nc(Cl)nc(Cl)c1C#N ZINC000575440748 382771709 /nfs/dbraw/zinc/77/17/09/382771709.db2.gz ZRQCUXJMGOIFMH-UHFFFAOYSA-N 0 0 268.050 2.689 10 30 CFEERN C=C[C@@H](C)n1nc(Br)nc1Br ZINC000575451776 382772167 /nfs/dbraw/zinc/77/21/67/382772167.db2.gz PNVSZUZIRCDDPW-SCSAIBSYSA-N 0 0 280.951 2.550 10 30 CFEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCCSCC1 ZINC000575497782 382773044 /nfs/dbraw/zinc/77/30/44/382773044.db2.gz ZVIIPPNOIGMPBZ-LBPRGKRZSA-N 0 0 256.371 2.691 10 30 CFEERN N#CCc1c(N)c(OC(F)F)ccc1Br ZINC000575713638 382794239 /nfs/dbraw/zinc/79/42/39/382794239.db2.gz AJGPERYLWXECJE-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN O=C[C@@H]1CC[C@@H](c2ccsc2Br)O1 ZINC000575544011 382773303 /nfs/dbraw/zinc/77/33/03/382773303.db2.gz SGPSKXLTVHZPPB-XPUUQOCRSA-N 0 0 261.140 2.930 10 30 CFEERN O=C[C@H]1CC[C@H](c2ccsc2Br)O1 ZINC000575544008 382773318 /nfs/dbraw/zinc/77/33/18/382773318.db2.gz SGPSKXLTVHZPPB-HTRCEHHLSA-N 0 0 261.140 2.930 10 30 CFEERN C[C@@H]1CC[C@@H]1Cn1cc(Br)c(C#N)n1 ZINC000575602120 382774957 /nfs/dbraw/zinc/77/49/57/382774957.db2.gz IVBRYSHVGSSFGA-HTQZYQBOSA-N 0 0 254.131 2.563 10 30 CFEERN N#CCc1ccc(Br)c(N)c1OC(F)F ZINC000575713726 382794545 /nfs/dbraw/zinc/79/45/45/382794545.db2.gz BBBBOUOADMBNEI-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN CCOc1cc(C#N)c(CC#N)cc1OC(F)F ZINC000575639303 382776395 /nfs/dbraw/zinc/77/63/95/382776395.db2.gz QIADUNGLUJICQC-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1ccc(CC#N)c(C#N)c1OC(F)F ZINC000575640069 382776809 /nfs/dbraw/zinc/77/68/09/382776809.db2.gz UMMPJVVVMKSXQE-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN COc1cc(CC#N)cc(C#N)c1OC(F)(F)F ZINC000575644928 382777216 /nfs/dbraw/zinc/77/72/16/382777216.db2.gz ABQGTTQIFLHNPA-UHFFFAOYSA-N 0 0 256.183 2.532 10 30 CFEERN N#CCc1cc(N)c(OC(F)F)c(Br)c1 ZINC000575714517 382794666 /nfs/dbraw/zinc/79/46/66/382794666.db2.gz QAGUGOVZLCONND-UHFFFAOYSA-N 0 0 277.068 2.699 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1Cl ZINC000575713665 382794682 /nfs/dbraw/zinc/79/46/82/382794682.db2.gz XCTIBLCNJQEGLN-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN CCOc1cc(OC)cc(CC#N)c1OC(F)F ZINC000575656993 382780063 /nfs/dbraw/zinc/78/00/63/382780063.db2.gz JQIUPOQHKFJFTB-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1c(N)c(I)ccc1Cl ZINC000575715624 382794880 /nfs/dbraw/zinc/79/48/80/382794880.db2.gz LXGCOZWOQPJFHS-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#CCc1cc(N)c(I)cc1Cl ZINC000575715542 382794886 /nfs/dbraw/zinc/79/48/86/382794886.db2.gz JKKBJFKNZHBWTA-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#CCc1cc(N)c(Cl)cc1I ZINC000575715807 382794906 /nfs/dbraw/zinc/79/49/06/382794906.db2.gz RUIPWARLPZUVPR-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc(OC(F)F)cc(OC(F)(F)F)c1O ZINC000575662355 382781844 /nfs/dbraw/zinc/78/18/44/382781844.db2.gz XMNNIVRLBJSQQY-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#CCc1ccc(Cl)c(I)c1N ZINC000575715475 382795020 /nfs/dbraw/zinc/79/50/20/382795020.db2.gz HIGPDLMLCYMQAB-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1OC(F)F ZINC000575667511 382782888 /nfs/dbraw/zinc/78/28/88/382782888.db2.gz OAQKLIUGINVNBF-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1c(C#N)ccc(F)c1I ZINC000575669938 382783123 /nfs/dbraw/zinc/78/31/23/382783123.db2.gz BQTUDYHGLQAKGH-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(F)c(C#N)c(I)c1 ZINC000575670312 382783615 /nfs/dbraw/zinc/78/36/15/382783615.db2.gz JFTZHQBESCKCLK-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(I)cc(F)c1C#N ZINC000575670055 382783706 /nfs/dbraw/zinc/78/37/06/382783706.db2.gz DUYVCTDKWRRVQS-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN N#Cc1c(Cl)c([N+](=O)[O-])ccc1Br ZINC000575677686 382784874 /nfs/dbraw/zinc/78/48/74/382784874.db2.gz MLPDBZHJIPAUOF-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1cc(Cl)c([N+](=O)[O-])c(Br)c1 ZINC000575677694 382784949 /nfs/dbraw/zinc/78/49/49/382784949.db2.gz MPWOQCLKRYFNHG-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1cc(O)cc(Br)c1OC(F)F ZINC000575681724 382785779 /nfs/dbraw/zinc/78/57/79/382785779.db2.gz ANRKYJHMGQRTIS-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN CCc1cc(CC#N)c(I)cc1N ZINC000575717694 382795226 /nfs/dbraw/zinc/79/52/26/382795226.db2.gz KQUBINZUPAWPQQ-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1c(O)cc(OC(F)F)cc1Br ZINC000575681971 382786454 /nfs/dbraw/zinc/78/64/54/382786454.db2.gz IKYKPQAERRLVES-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(N)cc1OC(F)F ZINC000575716824 382795230 /nfs/dbraw/zinc/79/52/30/382795230.db2.gz FYTUQIVDDHZWGQ-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1ccc(N)c(OC(F)(F)F)c1OC(F)F ZINC000575716872 382795263 /nfs/dbraw/zinc/79/52/63/382795263.db2.gz HQJFTDPGSOZIFG-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1cc(C(F)(F)F)c(N)cc1OC(F)F ZINC000575718017 382795332 /nfs/dbraw/zinc/79/53/32/382795332.db2.gz WJBFLVRYAWZNQA-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN CCc1cc(N)c(CC#N)cc1I ZINC000575718420 382795563 /nfs/dbraw/zinc/79/55/63/382795563.db2.gz SFOZKMLYARQECI-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN CCc1ccc(I)c(CC#N)c1N ZINC000575718753 382795599 /nfs/dbraw/zinc/79/55/99/382795599.db2.gz YNCBWHPZQCCWTH-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN COc1ccc(I)c(F)c1CC#N ZINC000575705554 382792157 /nfs/dbraw/zinc/79/21/57/382792157.db2.gz NMOQCMSKUDAXGX-UHFFFAOYSA-N 0 0 291.063 2.505 10 30 CFEERN Cc1ccc(CC#N)c(I)c1F ZINC000575705305 382792345 /nfs/dbraw/zinc/79/23/45/382792345.db2.gz KWHNQRRHKYRZJH-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN COc1c(C)ccc(CC#N)c1I ZINC000575709590 382792837 /nfs/dbraw/zinc/79/28/37/382792837.db2.gz YMXZNYCVNYNNLJ-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN COc1ccc(I)c(CC#N)c1C ZINC000575709730 382792893 /nfs/dbraw/zinc/79/28/93/382792893.db2.gz ZHCTXAZEZXGJRF-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN N#Cc1c(C(N)=O)cc(C(F)(F)F)cc1C(F)(F)F ZINC000575341307 382759318 /nfs/dbraw/zinc/75/93/18/382759318.db2.gz SYXLVLQIHZMFGH-UHFFFAOYSA-N 0 0 282.143 2.695 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(Br)cc1CC ZINC000575341626 382759320 /nfs/dbraw/zinc/75/93/20/382759320.db2.gz UDHJSTJAZUVNKZ-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)Cc1cc(C#N)c(OC(F)F)cc1Cl ZINC000575342998 382759680 /nfs/dbraw/zinc/75/96/80/382759680.db2.gz KKTSMVHDJKAIHG-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)c1cc(C(F)F)c([N+](=O)[O-])cc1C#N ZINC000575344046 382760007 /nfs/dbraw/zinc/76/00/07/382760007.db2.gz NGZBLGMCENLSJU-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1OC ZINC000575343630 382760039 /nfs/dbraw/zinc/76/00/39/382760039.db2.gz SWISJKRCXLHIIY-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C#N)cc1C(F)F ZINC000575343743 382760062 /nfs/dbraw/zinc/76/00/62/382760062.db2.gz FEOSHOJLJZCHKW-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN Cc1cc(NC[C@@H](O)c2ccsc2)c(C#N)c(C)n1 ZINC000227593882 382838171 /nfs/dbraw/zinc/83/81/71/382838171.db2.gz XYQBRWORGUXLOM-CQSZACIVSA-N 0 0 273.361 2.777 10 30 CFEERN CC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCC1 ZINC000233054669 382870763 /nfs/dbraw/zinc/87/07/63/382870763.db2.gz MWFCVHMIWOAISM-UHFFFAOYSA-N 0 0 260.297 2.854 10 30 CFEERN CO[C@@H](c1noc(-c2cccc(C#N)c2)n1)C1CC1 ZINC000234773773 382874980 /nfs/dbraw/zinc/87/49/80/382874980.db2.gz AAOZUIWLGHFIQS-GFCCVEGCSA-N 0 0 255.277 2.706 10 30 CFEERN C#CCC(=O)Nc1cc(C)cc(Br)c1 ZINC000235759967 382887672 /nfs/dbraw/zinc/88/76/72/382887672.db2.gz FONYGWNVRJWPJS-UHFFFAOYSA-N 0 0 252.111 2.719 10 30 CFEERN N#Cc1nc(NCCc2ccsc2)ccc1[N+](=O)[O-] ZINC000236421161 382893622 /nfs/dbraw/zinc/89/36/22/382893622.db2.gz JDLAQGSMRPBPHZ-UHFFFAOYSA-N 0 0 274.305 2.578 10 30 CFEERN N#Cc1nc(NC[C@@H]2Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000236416032 382894229 /nfs/dbraw/zinc/89/42/29/382894229.db2.gz JZUWXJPCEOVULT-NSHDSACASA-N 0 0 280.287 2.613 10 30 CFEERN Cc1nc2cccc(C(=O)ON=C3C=CC(=O)C(C)=C3)c2o1 ZINC000254340486 383466051 /nfs/dbraw/zinc/46/60/51/383466051.db2.gz METVRHCYLSUYQU-UHFFFAOYSA-N 0 0 296.282 2.734 10 30 CFEERN C(=Nn1cnnc1N=NCc1ccccc1)c1ccccc1 ZINC000254382337 383467266 /nfs/dbraw/zinc/46/72/66/383467266.db2.gz UDHCLLRXVBYLBT-UHFFFAOYSA-N 0 0 290.330 2.606 10 30 CFEERN Fc1ccc(NC(=S)NN=Cc2ccco2)c(F)c1 ZINC000254740936 383470367 /nfs/dbraw/zinc/47/03/67/383470367.db2.gz OBYZUJQJCXVVNP-UHFFFAOYSA-N 0 0 281.287 2.878 10 30 CFEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)C(C)C ZINC000254771682 383471114 /nfs/dbraw/zinc/47/11/14/383471114.db2.gz NONRAQMABAHIBB-UHFFFAOYSA-N 0 0 274.773 2.650 10 30 CFEERN CCOc1cc(C#N)ccc1OC[C@H](O)C(C)(C)C ZINC000283105834 385436010 /nfs/dbraw/zinc/43/60/10/385436010.db2.gz ROSWMTVJBUJZAV-AWEZNQCLSA-N 0 0 263.337 2.743 10 30 CFEERN N#Cc1ccccc1CSc1nnc(-c2cnccn2)o1 ZINC000001378708 169696722 /nfs/dbraw/zinc/69/67/22/169696722.db2.gz NZXIPMRPANVODL-UHFFFAOYSA-N 0 0 295.327 2.691 10 30 CFEERN C=CCOc1ccccc1CNC(=O)[C@H]1CCCO[C@H]1C ZINC000191574757 130257528 /nfs/dbraw/zinc/25/75/28/130257528.db2.gz ODTAWFGZRCWFFP-ZFWWWQNUSA-N 0 0 289.375 2.683 10 30 CFEERN Cc1csc([C@@H]2CN(CC#Cc3ccccc3)CCO2)n1 ZINC000191977019 130341504 /nfs/dbraw/zinc/34/15/04/130341504.db2.gz ASYXEJVZCCNUJE-INIZCTEOSA-N 0 0 298.411 2.877 10 30 CFEERN Cc1cc(N2CCS[C@@H](C)CC2)c(C#N)c(C)n1 ZINC000302707076 393494081 /nfs/dbraw/zinc/49/40/81/393494081.db2.gz CQAQPRDVZBVMBK-NSHDSACASA-N 0 0 261.394 2.902 10 30 CFEERN C#C[C@](C)(CC)Nc1cc(Br)nc(C)n1 ZINC000306683317 393509243 /nfs/dbraw/zinc/50/92/43/393509243.db2.gz VLETUYCWQRVRHR-LLVKDONJSA-N 0 0 268.158 2.761 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182607475 393511508 /nfs/dbraw/zinc/51/15/08/393511508.db2.gz SHSCTWFGRVLQFB-IUCAKERBSA-N 0 0 283.734 2.999 10 30 CFEERN C=CCCC[C@@H](C)NC(=O)C1CCC(C(=O)OC)CC1 ZINC000182618248 393511615 /nfs/dbraw/zinc/51/16/15/393511615.db2.gz NDAGASVHJQKNCF-IYXRBSQSSA-N 0 0 281.396 2.827 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1F ZINC000061889036 393626512 /nfs/dbraw/zinc/62/65/12/393626512.db2.gz YYTBBASGOLXXLU-PELKAZGASA-N 0 0 266.703 2.901 10 30 CFEERN Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc21 ZINC000335738648 393695865 /nfs/dbraw/zinc/69/58/65/393695865.db2.gz VWEGORHIWBSBNW-SMDDNHRTSA-N 0 0 267.332 2.600 10 30 CFEERN CCCn1cc(/C=C\C(=O)c2cccc(O)c2)cn1 ZINC000096854167 393839095 /nfs/dbraw/zinc/83/90/95/393839095.db2.gz UDYJDQJLFOJNAT-SREVYHEPSA-N 0 0 256.305 2.895 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000151018747 394259340 /nfs/dbraw/zinc/25/93/40/394259340.db2.gz WOYGYXJULYIQNZ-HOCLYGCPSA-N 0 0 273.376 2.811 10 30 CFEERN C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1cccs1 ZINC000173361446 394375750 /nfs/dbraw/zinc/37/57/50/394375750.db2.gz NZWQHELPBBAHCK-JTQLQIEISA-N 0 0 289.364 2.741 10 30 CFEERN CCC(CC)CN(CCC#N)Cc1nnc(C)n1CC ZINC000173552111 394376300 /nfs/dbraw/zinc/37/63/00/394376300.db2.gz KYYOKPKNYLZMOZ-UHFFFAOYSA-N 0 0 277.416 2.758 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@+]1(C)[O-] ZINC000575626756 395091797 /nfs/dbraw/zinc/09/17/97/395091797.db2.gz KMCUGUZTYBNDJU-GUYCJALGSA-O 0 0 263.361 2.630 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000180460035 543013562 /nfs/dbraw/zinc/01/35/62/543013562.db2.gz YFYWBEPKLFDTNG-XQQFMLRXSA-N 0 0 254.374 2.598 10 30 CFEERN Cc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000004949592 292041998 /nfs/dbraw/zinc/04/19/98/292041998.db2.gz XOUGLNAQTGWMKF-UHFFFAOYSA-N 0 0 281.271 2.976 10 30 CFEERN C=CC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000405464698 543018405 /nfs/dbraw/zinc/01/84/05/543018405.db2.gz DBXLWPBNUZYWII-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000405612339 543021510 /nfs/dbraw/zinc/02/15/10/543021510.db2.gz UHCLYSNTACEZRU-UHFFFAOYSA-N 0 0 253.342 2.825 10 30 CFEERN C=CCC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405490581 543020066 /nfs/dbraw/zinc/02/00/66/543020066.db2.gz GJAFRFGVEXGWNM-CQSZACIVSA-N 0 0 253.342 2.921 10 30 CFEERN C=CC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405804065 543024107 /nfs/dbraw/zinc/02/41/07/543024107.db2.gz BULQLRAYXKKVBC-QWRGUYRKSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405962238 543027537 /nfs/dbraw/zinc/02/75/37/543027537.db2.gz ZDOZZPYBADFAPV-HZMBPMFUSA-N 0 0 253.342 2.825 10 30 CFEERN C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000406070510 543029521 /nfs/dbraw/zinc/02/95/21/543029521.db2.gz DJCBJHUEQKPCKC-NSHDSACASA-N 0 0 253.342 2.825 10 30 CFEERN C=C(C)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406077453 543029564 /nfs/dbraw/zinc/02/95/64/543029564.db2.gz UTWDKSDZARTXRX-WDEREUQCSA-N 0 0 253.342 2.825 10 30 CFEERN COc1c(Br)c2ccccc2cc1C(=O)NO ZINC000226289866 286175243 /nfs/dbraw/zinc/17/52/43/286175243.db2.gz YRSYBTIHDSMXNL-UHFFFAOYSA-N 0 0 296.120 2.730 10 30 CFEERN Cc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1 ZINC000005394317 170094371 /nfs/dbraw/zinc/09/43/71/170094371.db2.gz JAPONCZPQQLTQG-LFIBNONCSA-N 0 0 278.319 2.607 10 30 CFEERN Cc1ccc(S(=O)(=O)N[C@@H](C#N)c2ccccc2)cc1 ZINC000005415903 170096329 /nfs/dbraw/zinc/09/63/29/170096329.db2.gz VIUWPDSANYOGGZ-HNNXBMFYSA-N 0 0 286.356 2.538 10 30 CFEERN COc1ccc(C=NNC2=NCCCCC2)c(OC)c1 ZINC000005670261 170126085 /nfs/dbraw/zinc/12/60/85/170126085.db2.gz VWBBFTXEJVVUKL-GZTJUZNOSA-N 0 0 275.352 2.600 10 30 CFEERN CC(N=Nc1ccccn1)c1ccc2c(c1)OCO2 ZINC000005688417 170129579 /nfs/dbraw/zinc/12/95/79/170129579.db2.gz QNKVPKOUDGRDPV-MHWRWJLKSA-N 0 0 255.277 2.646 10 30 CFEERN C=CCN(CC=C)c1nc(-c2ccccc2)n(C)n1 ZINC000005756558 170137466 /nfs/dbraw/zinc/13/74/66/170137466.db2.gz MOWFHFIWZXBOKW-UHFFFAOYSA-N 0 0 254.337 2.661 10 30 CFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@H]23)c([N+](=O)[O-])c1 ZINC000005866384 170148877 /nfs/dbraw/zinc/14/88/77/170148877.db2.gz GCEQJUADWFNJDR-GDOLCJQSSA-N 0 0 288.263 2.867 10 30 CFEERN Cc1ccc([S@@](=O)c2cccc(N)c2C#N)cc1 ZINC000005930947 170157331 /nfs/dbraw/zinc/15/73/31/170157331.db2.gz XFXABQQEGRMJPY-SFHVURJKSA-N 0 0 256.330 2.616 10 30 CFEERN N#CC(C#N)=NNc1ccc(Br)c(Cl)c1 ZINC000005943952 170160560 /nfs/dbraw/zinc/16/05/60/170160560.db2.gz KWGOIIRGHWTQHV-UHFFFAOYSA-N 0 0 283.516 2.918 10 30 CFEERN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccccc1C#N ZINC000007377375 170280995 /nfs/dbraw/zinc/28/09/95/170280995.db2.gz GLWIYHARSAAZQA-SCRDCRAPSA-N 0 0 292.404 2.661 10 30 CFEERN C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NC(C)(C)C ZINC000008256756 170327430 /nfs/dbraw/zinc/32/74/30/170327430.db2.gz SCHPKEKRWKPAHG-VIFPVBQESA-N 0 0 280.755 2.894 10 30 CFEERN COc1ccc(CC(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000008803040 170356423 /nfs/dbraw/zinc/35/64/23/170356423.db2.gz POVBOGYRPYCHNP-UHFFFAOYSA-N 0 0 296.326 2.757 10 30 CFEERN N#Cc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000008976556 170360247 /nfs/dbraw/zinc/36/02/47/170360247.db2.gz QUYWIZYWUWTGPT-UHFFFAOYSA-N 0 0 267.288 2.677 10 30 CFEERN C#CCSc1nc2c(cnn2-c2ccccc2C)c(=O)[nH]1 ZINC000009522108 170380338 /nfs/dbraw/zinc/38/03/38/170380338.db2.gz ZSZXMRMURDEWIO-UHFFFAOYSA-N 0 0 296.355 2.555 10 30 CFEERN COc1ccccc1CCc1nc(CC=O)c(C)o1 ZINC000011969231 170463741 /nfs/dbraw/zinc/46/37/41/170463741.db2.gz QDJNHHMHDKRIDM-UHFFFAOYSA-N 0 0 259.305 2.518 10 30 CFEERN N/C(=N\O)c1ccc(COCc2ccccc2)c(F)c1 ZINC000019471729 170805256 /nfs/dbraw/zinc/80/52/56/170805256.db2.gz ZSSNDYCUTACLMQ-UHFFFAOYSA-N 0 0 274.295 2.637 10 30 CFEERN Cc1csc(SCc2ccccc2/C(N)=N/O)n1 ZINC000019847941 170897044 /nfs/dbraw/zinc/89/70/44/170897044.db2.gz VIXXKIIZFJRVBW-UHFFFAOYSA-N 0 0 279.390 2.838 10 30 CFEERN CC(C)(C)SCc1ccc(/C(N)=N/O)cc1F ZINC000019870316 170901501 /nfs/dbraw/zinc/90/15/01/170901501.db2.gz VKDLXKWDWKQUJE-UHFFFAOYSA-N 0 0 256.346 2.952 10 30 CFEERN N#Cc1ccc(CN2CCc3ccc(N)cc32)c(F)c1 ZINC000019875143 170904538 /nfs/dbraw/zinc/90/45/38/170904538.db2.gz AMLFWBYXZRSSMJ-UHFFFAOYSA-N 0 0 267.307 2.842 10 30 CFEERN N#Cc1ccc(NC(=O)N2CCc3ccc(N)cc32)cc1 ZINC000019874909 170904554 /nfs/dbraw/zinc/90/45/54/170904554.db2.gz SQAKVSGXRCKNLE-UHFFFAOYSA-N 0 0 278.315 2.735 10 30 CFEERN N#Cc1ccc(F)c(COc2ccccc2CO)c1 ZINC000020032839 170974256 /nfs/dbraw/zinc/97/42/56/170974256.db2.gz ZIACLUMLXLUBEL-UHFFFAOYSA-N 0 0 257.264 2.769 10 30 CFEERN N#Cc1ccccc1NC(=O)CCc1ccc(N)cc1 ZINC000020186868 171051627 /nfs/dbraw/zinc/05/16/27/171051627.db2.gz LSXKGZJDMUARAJ-UHFFFAOYSA-N 0 0 265.316 2.712 10 30 CFEERN C[C@@H](C#N)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000020223355 171085688 /nfs/dbraw/zinc/08/56/88/171085688.db2.gz GANUSNKFRXJOTA-ZETCQYMHSA-N 0 0 278.160 2.927 10 30 CFEERN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCCCC1 ZINC000020311033 171144589 /nfs/dbraw/zinc/14/45/89/171144589.db2.gz YXSPAJKMQKQTMV-ZDUSSCGKSA-N 0 0 272.348 2.728 10 30 CFEERN CCC(CC)NC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363371 171162251 /nfs/dbraw/zinc/16/22/51/171162251.db2.gz HZABNFJPBNRSRZ-LBPRGKRZSA-N 0 0 274.364 2.825 10 30 CFEERN CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(C#N)cc1 ZINC000020366712 171165210 /nfs/dbraw/zinc/16/52/10/171165210.db2.gz WGGUGKBNGGVFIT-RYUDHWBXSA-N 0 0 259.353 2.663 10 30 CFEERN N#CCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000020497227 171227288 /nfs/dbraw/zinc/22/72/88/171227288.db2.gz ZZERQVKQCFTFAQ-UHFFFAOYSA-N 0 0 295.367 2.879 10 30 CFEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000021807734 171328218 /nfs/dbraw/zinc/32/82/18/171328218.db2.gz AVHUHQZCPCPUAF-UHFFFAOYSA-N 0 0 290.319 2.639 10 30 CFEERN N/N=C/c1nc(-c2ccccc2Cl)n2ccccc12 ZINC000033960833 171828028 /nfs/dbraw/zinc/82/80/28/171828028.db2.gz BVMHXXPWHLTNAA-RQZCQDPDSA-N 0 0 270.723 2.947 10 30 CFEERN COC(=O)/C(=C/c1ccc(F)cc1)C(=O)C(C)C ZINC000034336557 171837211 /nfs/dbraw/zinc/83/72/11/171837211.db2.gz YDAOZDSGRPENAG-XYOKQWHBSA-N 0 0 250.269 2.607 10 30 in-vitro CFEERN C[C@H]1CN=C(Nc2ccc3c(c2)OCCCO3)S1 ZINC000035057278 171960436 /nfs/dbraw/zinc/96/04/36/171960436.db2.gz JJVXLBRVXZMUJO-VIFPVBQESA-N 0 0 264.350 2.560 10 30 CFEERN N#Cc1ccccc1N1C(=O)CC2(CCCCC2)C1=O ZINC000035084100 171971343 /nfs/dbraw/zinc/97/13/43/171971343.db2.gz FWWBYBIVBFBNGO-UHFFFAOYSA-N 0 0 268.316 2.772 10 30 CFEERN COC(=O)c1occc1CNc1ccccc1C#N ZINC000035224093 172068707 /nfs/dbraw/zinc/06/87/07/172068707.db2.gz GZBGPXZFSZDLIS-UHFFFAOYSA-N 0 0 256.261 2.550 10 30 CFEERN CCC(CC)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000035237116 172075545 /nfs/dbraw/zinc/07/55/45/172075545.db2.gz GAKOOWWFOJHLEK-UHFFFAOYSA-N 0 0 280.393 2.508 10 30 CFEERN N#Cc1ccc(Cc2nc(CC3CCC3)no2)cc1 ZINC000285222190 196225286 /nfs/dbraw/zinc/22/52/86/196225286.db2.gz UXJPRICCCWNCAN-UHFFFAOYSA-N 0 0 253.305 2.875 10 30 CFEERN N#Cc1ccc(Nc2ccc3c(c2)OCCO3)c(N)c1 ZINC000035674554 172345112 /nfs/dbraw/zinc/34/51/12/172345112.db2.gz PIPPQVHVZVMLFP-UHFFFAOYSA-N 0 0 267.288 2.655 10 30 CFEERN CN(Cc1cccc(F)c1)c1ccc(C#N)cc1N ZINC000035674269 172345288 /nfs/dbraw/zinc/34/52/88/172345288.db2.gz UPOBGKJBIGVARR-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN COCCc1ccc(Oc2cc(C#N)ccn2)cc1 ZINC000036970191 172838117 /nfs/dbraw/zinc/83/81/17/172838117.db2.gz IJELTOCECHBHAL-UHFFFAOYSA-N 0 0 254.289 2.934 10 30 CFEERN CCOc1nc(Nc2ccccc2C#N)ccc1N ZINC000037067511 172930921 /nfs/dbraw/zinc/93/09/21/172930921.db2.gz IISCRKOFRGJUKM-UHFFFAOYSA-N 0 0 254.293 2.678 10 30 CFEERN CC[C@H](C)N(CC)S(=O)(=O)Cc1ccccc1C#N ZINC000037113454 172965645 /nfs/dbraw/zinc/96/56/45/172965645.db2.gz SGSQMZDGVXZITF-LBPRGKRZSA-N 0 0 280.393 2.508 10 30 CFEERN N#Cc1ccc(F)c(CSc2ncccc2N)c1 ZINC000037191039 173020495 /nfs/dbraw/zinc/02/04/95/173020495.db2.gz FOMGGGOJDRGZPZ-UHFFFAOYSA-N 0 0 259.309 2.967 10 30 CFEERN COC(=O)CCCNc1ccc(C#N)c(Cl)c1 ZINC000037286665 173092974 /nfs/dbraw/zinc/09/29/74/173092974.db2.gz PXFWSZWNWPEAFL-UHFFFAOYSA-N 0 0 252.701 2.577 10 30 CFEERN COCCC(=O)[C@H](C#N)c1cc(Cl)ccc1OC ZINC000037347103 173144140 /nfs/dbraw/zinc/14/41/40/173144140.db2.gz KLHCMFGNMOXGJQ-LLVKDONJSA-N 0 0 267.712 2.561 10 30 CFEERN COc1ccc(-n2c(C)c(C)c(C#N)c2N)cc1OC ZINC000037352789 173146224 /nfs/dbraw/zinc/14/62/24/173146224.db2.gz PJHXOEZFOKSJGV-UHFFFAOYSA-N 0 0 271.320 2.565 10 30 CFEERN C=CCc1cc(OCC)ccc1OCC(=O)OCC ZINC000037406330 173182686 /nfs/dbraw/zinc/18/26/86/173182686.db2.gz SUUCELQEDVZDSU-UHFFFAOYSA-N 0 0 264.321 2.756 10 30 CFEERN CC(C)(C)CC(=O)Nc1ccc(C#CCO)cc1F ZINC000037548888 173266280 /nfs/dbraw/zinc/26/62/80/173266280.db2.gz HMCQSWALZCHZRE-UHFFFAOYSA-N 0 0 263.312 2.544 10 30 CFEERN Cc1cc(C#CCO)ccc1NC(=O)c1ccsc1 ZINC000037549189 173266917 /nfs/dbraw/zinc/26/69/17/173266917.db2.gz KMXWYXRNNOUITM-UHFFFAOYSA-N 0 0 271.341 2.653 10 30 CFEERN N#Cc1cc(N)cnc1Sc1ccc(F)c(F)c1 ZINC000037759442 173685039 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CC(C)(C)OC(=O)N1CCC(O)(C#C[Si](C)(C)C)CC1 ZINC000195862328 333181021 /nfs/dbraw/zinc/18/10/21/333181021.db2.gz RLLHTGNDHSZJQE-UHFFFAOYSA-N 0 0 297.471 2.629 10 30 CFEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccccc1C ZINC000190179228 333203933 /nfs/dbraw/zinc/20/39/33/333203933.db2.gz SKLWAELQYRQSTR-AWEZNQCLSA-N 0 0 276.380 2.900 10 30 CFEERN CC#CCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000135951481 334141882 /nfs/dbraw/zinc/14/18/82/334141882.db2.gz AKHQHHKRGCDBHC-IUODEOHRSA-N 0 0 256.349 2.948 10 30 CFEERN C=CCN[C@@](C(=O)OCC)(c1ccccc1)C(C)C ZINC000051961820 518958577 /nfs/dbraw/zinc/95/85/77/518958577.db2.gz QPIZWLCPNQGCIN-MRXNPFEDSA-N 0 0 261.365 2.877 10 30 CFEERN CC(C)CCN(C)C(=O)c1ccc(C#CCCO)cc1 ZINC000048923908 519650248 /nfs/dbraw/zinc/65/02/48/519650248.db2.gz HXRAHIQOMSCFDV-UHFFFAOYSA-N 0 0 273.376 2.539 10 30 CFEERN C=CCCC(=O)Nc1ccc2c(c1)N(C(C)=O)CC2 ZINC000049509856 518696756 /nfs/dbraw/zinc/69/67/56/518696756.db2.gz NNDRMFQXILDZBW-UHFFFAOYSA-N 0 0 258.321 2.500 10 30 CFEERN C=CCN[C@@](C)(C(=O)OCC)c1ccc(OCC)cc1 ZINC000051962198 518959750 /nfs/dbraw/zinc/95/97/50/518959750.db2.gz HRNFZTAQBDVGPW-MRXNPFEDSA-N 0 0 277.364 2.639 10 30 CFEERN CC(C)[N@H+](CCCC(=O)[O-])Cc1cc(F)ccc1C#N ZINC000069401499 519642378 /nfs/dbraw/zinc/64/23/78/519642378.db2.gz BMUWGJYAENMDSD-UHFFFAOYSA-N 0 0 278.327 2.773 10 30 CFEERN CC(C)CCC[C@@H](C)NC(=O)c1ccc(C#CCO)cc1 ZINC000049148522 519645423 /nfs/dbraw/zinc/64/54/23/519645423.db2.gz HXTRSAJVJVYKRR-OAHLLOKOSA-N 0 0 287.403 2.975 10 30 CFEERN CC(C)CC[C@H](C)NC(=O)c1cc(C#CCO)ccc1F ZINC000069235745 519690756 /nfs/dbraw/zinc/69/07/56/519690756.db2.gz MKAIXEKSCXOWPH-ZDUSSCGKSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)CC[C@H](C)NC(=O)c1cc(F)ccc1C#CCO ZINC000069235739 519690902 /nfs/dbraw/zinc/69/09/02/519690902.db2.gz UDIOMTUKQHTHPD-ZDUSSCGKSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)[C@@H](C)N(C)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789368 519791313 /nfs/dbraw/zinc/79/13/13/519791313.db2.gz RRPSROSLCRZWAL-SECBINFHSA-N 0 0 269.776 2.915 10 30 CFEERN CC(C)[C@@]1(C)CC(=O)N(c2ccc(F)c(C#N)c2)C1=O ZINC000051637970 519808456 /nfs/dbraw/zinc/80/84/56/519808456.db2.gz DZLKYMJOKLHQCR-OAHLLOKOSA-N 0 0 274.295 2.623 10 30 CFEERN CCC1CCC(NC(=O)c2ccc(C#CCO)cc2)CC1 ZINC000049124714 519856213 /nfs/dbraw/zinc/85/62/13/519856213.db2.gz KBFMEDVFWUWYQN-UHFFFAOYSA-N 0 0 285.387 2.729 10 30 CFEERN CC(C)n1c(N)nnc1SCC#Cc1ccccc1 ZINC000062801364 519921187 /nfs/dbraw/zinc/92/11/87/519921187.db2.gz BZVZQFLYOPDHKX-UHFFFAOYSA-N 0 0 272.377 2.585 10 30 CFEERN CC(C)n1ccnc(N[C@H](C)c2ccc(C#N)cc2)c1=O ZINC000061763587 520023344 /nfs/dbraw/zinc/02/33/44/520023344.db2.gz RZLSPPFWQVELQG-GFCCVEGCSA-N 0 0 282.347 2.869 10 30 CFEERN CCCNc1nc(-c2c(C)nn(C)c2C)ccc1C#N ZINC000050871762 520186237 /nfs/dbraw/zinc/18/62/37/520186237.db2.gz SZZPAZUGWNKIFM-UHFFFAOYSA-N 0 0 269.352 2.793 10 30 CFEERN CCNc1c(C#N)cnc2c(OC)ccc(OC)c21 ZINC000050842605 520254983 /nfs/dbraw/zinc/25/49/83/520254983.db2.gz RWRWYUXEQXKSCI-UHFFFAOYSA-N 0 0 257.293 2.555 10 30 CFEERN CCNc1c(C#N)cnc2cc3c(cc21)OC(F)(F)O3 ZINC000050842070 520255104 /nfs/dbraw/zinc/25/51/04/520255104.db2.gz RZSCETIECPVSAV-UHFFFAOYSA-N 0 0 277.230 2.860 10 30 CFEERN CCN(CC)C(=O)[C@H](C)Nc1cc(C#N)ccc1C ZINC000050430356 520534951 /nfs/dbraw/zinc/53/49/51/520534951.db2.gz OEVNXDHAWQFEMS-LBPRGKRZSA-N 0 0 259.353 2.536 10 30 CFEERN CCOC(=O)CCNc1cccc(Cl)c1C#N ZINC000052903391 520690510 /nfs/dbraw/zinc/69/05/10/520690510.db2.gz HOTDPWCYBDEGMS-UHFFFAOYSA-N 0 0 252.701 2.577 10 30 CFEERN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000049588435 521004748 /nfs/dbraw/zinc/00/47/48/521004748.db2.gz IJADANSZEUAVAG-UONOGXRCSA-N 0 0 273.376 2.644 10 30 CFEERN CCCC[C@H](C)NC(=O)c1cc(C#CCCO)ccc1F ZINC000050890966 521144702 /nfs/dbraw/zinc/14/47/02/521144702.db2.gz DALVXMPOWIEBET-ZDUSSCGKSA-N 0 0 291.366 2.868 10 30 CFEERN CCC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000069401835 521304292 /nfs/dbraw/zinc/30/42/92/521304292.db2.gz RZPINMNJTKQSBP-INIZCTEOSA-N 0 0 290.338 2.774 10 30 CFEERN CCOc1nc(Nc2cc(C#N)ccc2C)ccc1N ZINC000050429459 521606668 /nfs/dbraw/zinc/60/66/68/521606668.db2.gz JNJJIAJVZQJTSP-UHFFFAOYSA-N 0 0 268.320 2.986 10 30 CFEERN CC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000049589673 521919574 /nfs/dbraw/zinc/91/95/74/521919574.db2.gz MMBPTLAQKYSNOO-ZIAGYGMSSA-N 0 0 273.376 2.644 10 30 CFEERN CC[C@@H](C)COc1ccc(F)cc1C#CCCO ZINC000050427248 522005072 /nfs/dbraw/zinc/00/50/72/522005072.db2.gz ALAGUTKBPVWGQJ-GFCCVEGCSA-N 0 0 250.313 2.985 10 30 CFEERN CC[C@H](NC(=O)c1cccc(C#CCCO)c1)C(C)C ZINC000049148480 522539169 /nfs/dbraw/zinc/53/91/69/522539169.db2.gz MTMVNVPXFFHJCN-INIZCTEOSA-N 0 0 273.376 2.585 10 30 CFEERN CC[C@H](NC(=O)c1ccccc1C#CCCO)C(C)C ZINC000049148478 522543111 /nfs/dbraw/zinc/54/31/11/522543111.db2.gz JBCMAZYYRZIHRZ-INIZCTEOSA-N 0 0 273.376 2.585 10 30 CFEERN CNc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000051638877 522598394 /nfs/dbraw/zinc/59/83/94/522598394.db2.gz XWFGWSLMOFERGU-UHFFFAOYSA-N 0 0 269.279 2.991 10 30 CFEERN CN(Cc1ccc(C#CCO)cc1F)c1ccccc1 ZINC000049615844 523206439 /nfs/dbraw/zinc/20/64/39/523206439.db2.gz YCHXAEQVUPFLIU-UHFFFAOYSA-N 0 0 269.319 2.806 10 30 CFEERN CN(Cc1cccc(C#N)c1)Cc1ccc(N)cc1F ZINC000069400441 523296067 /nfs/dbraw/zinc/29/60/67/523296067.db2.gz LJISQQMREVZPEI-UHFFFAOYSA-N 0 0 269.323 2.912 10 30 CFEERN CN(Cc1cccc(C#N)c1)c1ccc(N)cc1F ZINC000061979752 523296518 /nfs/dbraw/zinc/29/65/18/523296518.db2.gz UDAOSXKGACRODK-UHFFFAOYSA-N 0 0 255.296 2.916 10 30 CFEERN COc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1N ZINC000050428696 523743745 /nfs/dbraw/zinc/74/37/45/523743745.db2.gz GBNRIPRFHDPCGX-UHFFFAOYSA-N 0 0 281.315 2.710 10 30 CFEERN COc1ccc(COc2cccc(F)c2)cc1C#CCO ZINC000049620525 524119572 /nfs/dbraw/zinc/11/95/72/524119572.db2.gz SKPLCQDVWXDTLM-UHFFFAOYSA-N 0 0 286.302 2.757 10 30 CFEERN C[C@@H]1CCCN(CC(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000050565799 524220676 /nfs/dbraw/zinc/22/06/76/524220676.db2.gz QRYUCZBJVJFJJG-CHWSQXEVSA-N 0 0 256.349 2.861 10 30 CFEERN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccccc2C#CCO)C1 ZINC000049017701 524300303 /nfs/dbraw/zinc/30/03/03/524300303.db2.gz RUVJANKIVQMSLM-GDBMZVCRSA-N 0 0 285.387 2.681 10 30 CFEERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000335476442 524322249 /nfs/dbraw/zinc/32/22/49/524322249.db2.gz WSKIDOJTFPLQMF-MFKMUULPSA-N 0 0 260.312 2.750 10 30 CFEERN Cc1cc(C)nc(SCc2ccccc2C#CCO)n1 ZINC000051608085 524602157 /nfs/dbraw/zinc/60/21/57/524602157.db2.gz UHNDHSJEXMZCHS-UHFFFAOYSA-N 0 0 284.384 2.730 10 30 CFEERN C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1nccs1 ZINC000235164919 524755734 /nfs/dbraw/zinc/75/57/34/524755734.db2.gz ZQIGIZOUERZUOY-QMMMGPOBSA-N 0 0 289.320 2.534 10 30 CFEERN Cc1cccc(OCc2ccc(C#CCO)cc2)c1 ZINC000049620326 524766474 /nfs/dbraw/zinc/76/64/74/524766474.db2.gz AMDLPBNIHJGBGK-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN COc1ccc(O)c([C@H](C)Nc2nnc(C)c(C)c2C#N)c1 ZINC000301216986 524775414 /nfs/dbraw/zinc/77/54/14/524775414.db2.gz ZEPVTMJSFMGAHX-NSHDSACASA-N 0 0 298.346 2.852 10 30 CFEERN C[C@H](NC(=O)CC(C)(C)C)c1ccc(C#CCO)cc1 ZINC000049588553 524920441 /nfs/dbraw/zinc/92/04/41/524920441.db2.gz IPTVUFIEJQXTKN-ZDUSSCGKSA-N 0 0 273.376 2.644 10 30 CFEERN COc1ccc([C@@H](O)CNc2ccc(F)c(C#N)c2)cc1 ZINC000051636578 525207380 /nfs/dbraw/zinc/20/73/80/525207380.db2.gz HJRZGAXEOMLRLC-INIZCTEOSA-N 0 0 286.306 2.851 10 30 CFEERN C[C@H](NC(=O)c1cccs1)c1cccc(C#CCO)c1 ZINC000049588929 525248489 /nfs/dbraw/zinc/24/84/89/525248489.db2.gz LZGYRIRGPWWHCM-LBPRGKRZSA-N 0 0 285.368 2.583 10 30 CFEERN CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823823 525260386 /nfs/dbraw/zinc/26/03/86/525260386.db2.gz WOPCOKAXYHACNB-BXUZGUMPSA-N 0 0 278.377 2.584 10 30 CFEERN Cc1cc(SCc2ccc(C#CCCO)s2)n(C)n1 ZINC000052311608 525437909 /nfs/dbraw/zinc/43/79/09/525437909.db2.gz GQMYSGKSSCZPAV-UHFFFAOYSA-N 0 0 292.429 2.816 10 30 CFEERN Cc1cc(Sc2nc(C)cc(C)c2C#N)n(C)n1 ZINC000052309717 525441197 /nfs/dbraw/zinc/44/11/97/525441197.db2.gz RFRFETPZYTWTSP-UHFFFAOYSA-N 0 0 258.350 2.763 10 30 CFEERN Cc1c(O)cccc1Oc1ncc([N+](=O)[O-])cc1C#N ZINC000050442688 525880862 /nfs/dbraw/zinc/88/08/62/525880862.db2.gz UJVOWAQBOYNXSW-UHFFFAOYSA-N 0 0 271.232 2.668 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)c2cccc(C#CCO)c2)s1 ZINC000049189184 525912661 /nfs/dbraw/zinc/91/26/61/525912661.db2.gz FYKQVFQENSZZNO-ZDUSSCGKSA-N 0 0 299.395 2.891 10 30 CFEERN Cc1ccc(C#N)c(NC[C@@H](O)c2ccc(N)cc2)c1 ZINC000051581496 525993368 /nfs/dbraw/zinc/99/33/68/525993368.db2.gz XNWPXNYRJPHLLL-MRXNPFEDSA-N 0 0 267.332 2.594 10 30 CFEERN Cc1ccc(C#N)cc1N1C(=S)N=NC1c1cccnc1 ZINC000050430559 525995319 /nfs/dbraw/zinc/99/53/19/525995319.db2.gz LGTFGKSIYHXFLJ-UHFFFAOYSA-N 0 0 293.355 2.798 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(F)cc1N ZINC000050428783 526004685 /nfs/dbraw/zinc/00/46/85/526004685.db2.gz JPYJRHPACOZADB-UHFFFAOYSA-N 0 0 287.269 2.979 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1nc(N)ccc1Cl ZINC000050705336 526005149 /nfs/dbraw/zinc/00/51/49/526005149.db2.gz UTQMBTHYBOVEAQ-UHFFFAOYSA-N 0 0 286.722 2.750 10 30 CFEERN Cc1ccc(C#N)cc1NCc1ccc(C(N)=O)cc1F ZINC000050430383 526006905 /nfs/dbraw/zinc/00/69/05/526006905.db2.gz JIZROWVQDIYEEG-UHFFFAOYSA-N 0 0 283.306 2.717 10 30 CFEERN Cc1ccc(C#N)cc1NCc1ccccc1C(N)=O ZINC000050430385 526007772 /nfs/dbraw/zinc/00/77/72/526007772.db2.gz LRZNQYPCGACWFA-UHFFFAOYSA-N 0 0 265.316 2.578 10 30 CFEERN Cc1cnc([C@@H](C)NCc2cccc(C#N)c2F)o1 ZINC000230647200 526125690 /nfs/dbraw/zinc/12/56/90/526125690.db2.gz APECFQLMTYOUAT-SNVBAGLBSA-N 0 0 259.284 2.845 10 30 CFEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)c(F)c2)o1 ZINC000361763758 526127287 /nfs/dbraw/zinc/12/72/87/526127287.db2.gz GASFOJYJVRHVHT-SNVBAGLBSA-N 0 0 259.284 2.845 10 30 CFEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1COc2ccccc21 ZINC000163873371 526191309 /nfs/dbraw/zinc/19/13/09/526191309.db2.gz GXXJFFZWPFMBIG-HNNXBMFYSA-N 0 0 278.311 2.730 10 30 CFEERN COc1cccc(OCc2ccc(C#CCO)cc2)c1 ZINC000049620145 526236413 /nfs/dbraw/zinc/23/64/13/526236413.db2.gz SHXMPRHIRVBMEX-UHFFFAOYSA-N 0 0 268.312 2.618 10 30 CFEERN Cc1nn(CCCC[C@](C)(N)C#N)c(C)c1Cl ZINC000050588041 526279219 /nfs/dbraw/zinc/27/92/19/526279219.db2.gz UOCVHOKUASLWHP-LBPRGKRZSA-N 0 0 254.765 2.565 10 30 CFEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000066317007 526438696 /nfs/dbraw/zinc/43/86/96/526438696.db2.gz JZMRKOUMSYSWEH-ZIAGYGMSSA-N 0 0 254.333 2.743 10 30 CFEERN N#C[C@H](c1cccs1)S(=O)(=O)c1ccccc1 ZINC000238855704 526511195 /nfs/dbraw/zinc/51/11/95/526511195.db2.gz SSODAJBDIKVJRZ-GFCCVEGCSA-N 0 0 263.343 2.787 10 30 CFEERN N#Cc1c(Cl)cccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595315 526520461 /nfs/dbraw/zinc/52/04/61/526520461.db2.gz JOTXDZDVYKLJMQ-UHFFFAOYSA-N 0 0 292.751 2.583 10 30 CFEERN N#Cc1cc(C(=O)N2CCCC[C@H]2c2nccs2)c[nH]1 ZINC000181324654 526541306 /nfs/dbraw/zinc/54/13/06/526541306.db2.gz YIZWGJYVROSYTK-LBPRGKRZSA-N 0 0 286.360 2.710 10 30 CFEERN N#Cc1cc(Cl)ccc1Sc1nnnn1C1CC1 ZINC000052859925 526554496 /nfs/dbraw/zinc/55/44/96/526554496.db2.gz DKLUEYPFMLBUEX-UHFFFAOYSA-N 0 0 277.740 2.684 10 30 CFEERN N#Cc1cc(NC[C@@H](O)c2ccccc2F)ccc1F ZINC000051636547 526571112 /nfs/dbraw/zinc/57/11/12/526571112.db2.gz QPHNSWRSRGTKTP-OAHLLOKOSA-N 0 0 274.270 2.982 10 30 CFEERN N#Cc1cc(Sc2nc3ccc(N)cc3o2)ccn1 ZINC000061812851 526575876 /nfs/dbraw/zinc/57/58/76/526575876.db2.gz UQLDBPMSZVIFKO-UHFFFAOYSA-N 0 0 268.301 2.828 10 30 CFEERN N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2N)cc1 ZINC000050016249 526657551 /nfs/dbraw/zinc/65/75/51/526657551.db2.gz FNGAWOAIXDONSS-UHFFFAOYSA-N 0 0 273.242 2.671 10 30 CFEERN N#Cc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000050454769 526667837 /nfs/dbraw/zinc/66/78/37/526667837.db2.gz CYIPRKVWDBPNMG-UHFFFAOYSA-N 0 0 275.655 2.653 10 30 CFEERN N#Cc1cccc(OCc2cc([N+](=O)[O-])ccc2N)c1 ZINC000050831370 526728742 /nfs/dbraw/zinc/72/87/42/526728742.db2.gz OVEXZIZELAYCAF-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN N#Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840353 526744744 /nfs/dbraw/zinc/74/47/44/526744744.db2.gz VMVACYRZSKCJAH-UHFFFAOYSA-N 0 0 254.249 2.792 10 30 CFEERN N#Cc1ncccc1COc1ccc(Cl)cc1CO ZINC000061659303 526791222 /nfs/dbraw/zinc/79/12/22/526791222.db2.gz QCNWETKVLOKOTQ-UHFFFAOYSA-N 0 0 274.707 2.678 10 30 CFEERN C=C(Cl)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922680 526886525 /nfs/dbraw/zinc/88/65/25/526886525.db2.gz JRFUTXKBLOTCEZ-GFCCVEGCSA-N 0 0 253.777 2.835 10 30 CFEERN O=CC1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000054268400 527139813 /nfs/dbraw/zinc/13/98/13/527139813.db2.gz IXXMWGMLHJEUKL-UHFFFAOYSA-N 0 0 258.243 2.516 10 30 CFEERN Cn1ccnc1CCNc1ccc(Cl)cc1C#N ZINC000052857598 527429917 /nfs/dbraw/zinc/42/99/17/527429917.db2.gz UTRDUTVALARIPA-UHFFFAOYSA-N 0 0 260.728 2.600 10 30 CFEERN OCC#Cc1cc(F)ccc1COc1ccccc1F ZINC000049620192 527517993 /nfs/dbraw/zinc/51/79/93/527517993.db2.gz WWUWLRMCZNPRDJ-UHFFFAOYSA-N 0 0 274.266 2.888 10 30 CFEERN OCC#Cc1ccc(CN2CCc3ccccc32)c(F)c1 ZINC000049616593 527519728 /nfs/dbraw/zinc/51/97/28/527519728.db2.gz YPABSWJWAXAOFK-UHFFFAOYSA-N 0 0 281.330 2.732 10 30 CFEERN OCCC#Cc1ccc(CN2Cc3ccccc3C2)s1 ZINC000050911926 527531307 /nfs/dbraw/zinc/53/13/07/527531307.db2.gz MJPKNGDKEBRACN-UHFFFAOYSA-N 0 0 283.396 2.998 10 30 CFEERN CC1(C)[C@H](NC(=O)[C@@]2(C)CCCNC2=O)[C@@H]2CCO[C@H]21 ZINC000330289947 527851324 /nfs/dbraw/zinc/85/13/24/527851324.db2.gz CDSJACUSSKTKPR-SQYUCLKFSA-N 0 0 280.368 2.513 10 30 CFEERN CCCCS(=O)(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000192704644 528726664 /nfs/dbraw/zinc/72/66/64/528726664.db2.gz OXQOELDZXJFPFE-UHFFFAOYSA-N 0 0 272.757 2.753 10 30 CFEERN CN(C)C(=O)[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000301189102 536093477 /nfs/dbraw/zinc/09/34/77/536093477.db2.gz KUTYTDJIMJQEIZ-NSHDSACASA-N 0 0 291.782 2.516 10 30 CFEERN COc1cc2oc(=O)ccc2cc1C(=O)C=C(C)C ZINC000013434334 560216810 /nfs/dbraw/zinc/21/68/10/560216810.db2.gz XJDSLGAFRQCARR-UHFFFAOYSA-N 0 0 258.273 2.951 10 30 biogenic,in-vitro CFEERN COC(=O)[C@]1(Cl)O[C@]1(C)CCCC(F)(F)F ZINC000234596572 567853216 /nfs/dbraw/zinc/85/32/16/567853216.db2.gz SWCNHGFXKFRZEA-APPZFPTMSA-N 0 0 260.639 2.616 10 30 CFEERN O=C1Nc2c(cc(F)cc2Br)[C@H]1S ZINC000757166433 617861424 /nfs/dbraw/zinc/86/14/24/617861424.db2.gz VDMIINQEJFZDFT-SSDOTTSWSA-N 0 0 262.103 2.511 10 30 CFEERN Oc1ccc(/C=N\[C@H]2CCOc3ccccc32)c(O)c1O ZINC000255107057 617961681 /nfs/dbraw/zinc/96/16/81/617961681.db2.gz RZEQZSXSBZVHFN-CHROMADKSA-N 0 0 285.299 2.746 10 30 CFEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000246066838 618171697 /nfs/dbraw/zinc/17/16/97/618171697.db2.gz BUOHZZMDKVAIOU-GUTXKFCHSA-N 0 0 255.317 2.735 10 30 CFEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000308198384 618189840 /nfs/dbraw/zinc/18/98/40/618189840.db2.gz OGITWORJORFXLR-KBPBESRZSA-N 0 0 258.321 2.620 10 30 CFEERN COC[C@@H](C)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000177892027 618610951 /nfs/dbraw/zinc/61/09/51/618610951.db2.gz ALEPWHJZSFLIFX-LLVKDONJSA-N 0 0 266.724 2.517 10 30 CFEERN CC(O)=CC(=O)c1ccc(I)cc1 ZINC000221979177 622935695 /nfs/dbraw/zinc/93/56/95/622935695.db2.gz YNHAHPWDJVYBQL-VOTSOKGWSA-N 0 0 288.084 2.936 10 30 CFEERN C#Cc1cccc(NC(=O)c2ccc(F)cc2N)c1 ZINC000059931927 623112999 /nfs/dbraw/zinc/11/29/99/623112999.db2.gz GXMQLSMEKJSUOO-UHFFFAOYSA-N 0 0 254.264 2.642 10 30 CFEERN Cc1cc2nc(C)cc(NCc3ccc(C#N)cc3)n2n1 ZINC000072435871 625664377 /nfs/dbraw/zinc/66/43/77/625664377.db2.gz HKOFTALZNKKONF-UHFFFAOYSA-N 0 0 277.331 2.830 10 30 CFEERN CC(C)(C)[C@@H](O)CNc1nc2ccccc2cc1C#N ZINC000324567934 624172612 /nfs/dbraw/zinc/17/26/12/624172612.db2.gz VVPLJJWPUHUJMG-AWEZNQCLSA-N 0 0 269.348 2.925 10 30 CFEERN C#CCSCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000154832034 624504068 /nfs/dbraw/zinc/50/40/68/624504068.db2.gz CDYJTEDVULQNNZ-OAHLLOKOSA-N 0 0 288.416 2.730 10 30 CFEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1F ZINC000238198358 625021644 /nfs/dbraw/zinc/02/16/44/625021644.db2.gz XKTYXYJLOIYAPV-LBPRGKRZSA-N 0 0 267.300 2.981 10 30 CFEERN C=CCC[C@H](C)OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181430883 625136325 /nfs/dbraw/zinc/13/63/25/625136325.db2.gz AWLFPTFTHHBFAW-HIFPTAJRSA-N 0 0 268.353 2.864 10 30 CFEERN C=CCCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000103647779 630450704 /nfs/dbraw/zinc/45/07/04/630450704.db2.gz HMKDITZHGDPXIR-HIFRSBDPSA-N 0 0 289.375 2.950 10 30 CFEERN O=C1Nc2cc(F)c(Br)cc2[C@H]1S ZINC000757160923 630875431 /nfs/dbraw/zinc/87/54/31/630875431.db2.gz SXZSTWCSEYQCCI-SSDOTTSWSA-N 0 0 262.103 2.511 10 30 CFEERN C=CCC[C@H](OC(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1 ZINC000159526781 650264354 /nfs/dbraw/zinc/26/43/54/650264354.db2.gz NDXCZXOOCTTYKV-YPMHNXCESA-N 0 0 291.347 2.686 10 30 CFEERN C#CCCCC(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000191115085 650478537 /nfs/dbraw/zinc/47/85/37/650478537.db2.gz PWAQQLYNDGRHJO-LLVKDONJSA-N 0 0 256.305 2.971 10 30 CFEERN C#Cc1cccc(NCc2nnc(C(C)C)n2C)c1 ZINC000194990823 650735424 /nfs/dbraw/zinc/73/54/24/650735424.db2.gz MQUPLZFGEFAIAS-UHFFFAOYSA-N 0 0 254.337 2.532 10 30 CFEERN C=CCOc1ccc(C(=O)Oc2ccc(O)c(C=O)c2)cc1 ZINC000090443450 650872712 /nfs/dbraw/zinc/87/27/12/650872712.db2.gz POEAXBHSBKKRDD-UHFFFAOYSA-N 0 0 298.294 2.989 10 30 CFEERN CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000248002952 650921015 /nfs/dbraw/zinc/92/10/15/650921015.db2.gz NXKJJJYDMLQGDL-CQSZACIVSA-N 0 0 282.428 2.816 10 30 CFEERN C[C@@H](OC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000248281202 650929842 /nfs/dbraw/zinc/92/98/42/650929842.db2.gz VGDKKBCJMZCQLZ-JTNHKYCSSA-N 0 0 259.305 2.730 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ncc1Cl ZINC000129305597 645147972 /nfs/dbraw/zinc/14/79/72/645147972.db2.gz GNUKBXDYASPSAX-XCBNKYQSSA-N 0 0 284.146 2.810 10 30 CFEERN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2C#N)cc1 ZINC000082316746 177961052 /nfs/dbraw/zinc/96/10/52/177961052.db2.gz SJCUWCJMYYYAQI-JSGCOSHPSA-N 0 0 263.362 2.851 10 30 CFEERN N#Cc1c(I)cccc1OC1CC1 ZINC000095734886 185023280 /nfs/dbraw/zinc/02/32/80/185023280.db2.gz AHWCIYQKIZAJCF-UHFFFAOYSA-N 0 0 285.084 2.704 10 30 CFEERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000182007443 282105744 /nfs/dbraw/zinc/10/57/44/282105744.db2.gz QIKABFNLEACCFH-XHDPSFHLSA-N 0 0 281.363 2.644 10 30 CFEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2Cl)O1 ZINC000226348543 290615786 /nfs/dbraw/zinc/61/57/86/290615786.db2.gz YYWPUZRSTZNOOU-UFBFGSQYSA-N 0 0 264.712 2.718 10 30 CFEERN C#CC(C)(C)NCc1ccccc1Br ZINC000069678716 346898542 /nfs/dbraw/zinc/89/85/42/346898542.db2.gz LVEYYZADEYNVQY-UHFFFAOYSA-N 0 0 252.155 2.951 10 30 CFEERN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[C@H]2O)c1 ZINC000273174338 192065831 /nfs/dbraw/zinc/06/58/31/192065831.db2.gz FTHIWKASWWEHOQ-GDBMZVCRSA-N 0 0 272.348 2.724 10 30 CFEERN N#C[C@@H]1O[C@]12CCc1cc(Br)ccc1C2 ZINC000307678089 539478109 /nfs/dbraw/zinc/47/81/09/539478109.db2.gz KADYSIZRATXSBG-RYUDHWBXSA-N 0 0 264.122 2.599 10 30 CFEERN CCCCCOc1cc(/C=C/C(=O)NO)ccc1OC ZINC000005298763 346211148 /nfs/dbraw/zinc/21/11/48/346211148.db2.gz OHXHEMDRMDVRBI-VQHVLOKHSA-N 0 0 279.336 2.783 10 30 CFEERN CCO[C@@H](/C(N)=N/O)c1c(Cl)cccc1Cl ZINC000005650860 346212391 /nfs/dbraw/zinc/21/23/91/346212391.db2.gz RULUMZSWTZNXCB-SECBINFHSA-N 0 0 263.124 2.817 10 30 CFEERN N#Cc1c(Br)cccc1NC1CC(CO)C1 ZINC000596568438 349943861 /nfs/dbraw/zinc/94/38/61/349943861.db2.gz OEXZASSOUOZPIY-UHFFFAOYSA-N 0 0 281.153 2.504 10 30 CFEERN N#CCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000027558019 346270708 /nfs/dbraw/zinc/27/07/08/346270708.db2.gz QLPYISIRNAJVLQ-UHFFFAOYSA-N 0 0 265.272 2.787 10 30 CFEERN COc1ccc([C@](C#N)(CCCO)C(C)C)cc1OC ZINC000034018342 346313803 /nfs/dbraw/zinc/31/38/03/346313803.db2.gz XCVXXCRTGFYXRO-INIZCTEOSA-N 0 0 277.364 2.894 10 30 CFEERN CN1C[C@H](CC#N)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000038978649 346340430 /nfs/dbraw/zinc/34/04/30/346340430.db2.gz GPXUFFCMCLXKSW-BDJLRTHQSA-N 0 0 263.344 2.951 10 30 CFEERN COc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cc1OC ZINC000054825262 346576910 /nfs/dbraw/zinc/57/69/10/346576910.db2.gz CSOGRMJBBHNZNT-KGLIPLIRSA-N 0 0 274.364 2.876 10 30 CFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828671 346577131 /nfs/dbraw/zinc/57/71/31/346577131.db2.gz HTDQOTSZSXMJSM-WCQYABFASA-N 0 0 259.309 2.767 10 30 CFEERN C=CCC(=O)Nc1cc(Br)ccc1OC ZINC000054400280 346568957 /nfs/dbraw/zinc/56/89/57/346568957.db2.gz YCSRGKFCQKFGKO-UHFFFAOYSA-N 0 0 270.126 2.972 10 30 CFEERN C[C@@H]1CCc2ccccc2N1c1ncccc1/C(N)=N/O ZINC000019506956 136577683 /nfs/dbraw/zinc/57/76/83/136577683.db2.gz SDNUINHGZFZPQE-LLVKDONJSA-N 0 0 282.347 2.649 10 30 CFEERN c1ccc(C(c2ccccc2)N2CC3(CO3)C2)cc1 ZINC000079029411 347285868 /nfs/dbraw/zinc/28/58/68/347285868.db2.gz VSAOFTGTKKOYLI-UHFFFAOYSA-N 0 0 251.329 2.861 10 30 CFEERN N#Cc1ccc(Cl)cc1NCCCCn1cnnc1 ZINC000078509411 347258684 /nfs/dbraw/zinc/25/86/84/347258684.db2.gz NYDUUGASEQQRSG-UHFFFAOYSA-N 0 0 275.743 2.695 10 30 CFEERN CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1noc(C)n1 ZINC000080679628 347374298 /nfs/dbraw/zinc/37/42/98/347374298.db2.gz QSHFQDWMRTYNRK-JTQLQIEISA-N 0 0 287.279 2.721 10 30 CFEERN CCOC(=O)CC[C@H](C)Nc1ccc(C#N)cc1F ZINC000089652135 347525052 /nfs/dbraw/zinc/52/50/52/347525052.db2.gz IOZBHAZVNQRKDH-JTQLQIEISA-N 0 0 264.300 2.841 10 30 CFEERN N#Cc1ccc(-c2ccc(C[C@H](N)C#N)cc2)cc1F ZINC000088286142 347500599 /nfs/dbraw/zinc/50/05/99/347500599.db2.gz HOBZLDVHOWWJQM-HNNXBMFYSA-N 0 0 265.291 2.758 10 30 CFEERN N#Cc1cc(CN2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088420295 347502675 /nfs/dbraw/zinc/50/26/75/347502675.db2.gz VGWHKMRHHWJEQR-NSHDSACASA-N 0 0 269.270 2.728 10 30 CFEERN CC(C)(CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000092583638 347632994 /nfs/dbraw/zinc/63/29/94/347632994.db2.gz WQFCJRTWUXINQQ-UHFFFAOYSA-N 0 0 275.739 2.943 10 30 CFEERN CC[C@@](C)(CCO)Nc1snc(Cl)c1C#N ZINC000092684516 347640512 /nfs/dbraw/zinc/64/05/12/347640512.db2.gz JFPPTGPAJYLHLC-JTQLQIEISA-N 0 0 259.762 2.631 10 30 CFEERN C/C(=N\c1ccc2nc(N)nc(N)c2c1)c1ccccc1 ZINC000102320073 347717606 /nfs/dbraw/zinc/71/76/06/347717606.db2.gz QSNDEMPSQGHPKP-VXLYETTFSA-N 0 0 277.331 2.935 10 30 CFEERN CC(C)(C)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000100337319 347713554 /nfs/dbraw/zinc/71/35/54/347713554.db2.gz YOVCHWGMZAAFFS-UHFFFAOYSA-N 0 0 263.724 2.904 10 30 CFEERN N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(N)c3F)c21 ZINC000113515813 347767855 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FKNSKNPGUMAJMH-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(CC#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575657561 382780052 /nfs/dbraw/zinc/78/00/52/382780052.db2.gz KBIHEICCIPIRII-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c(CC#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575657117 382780077 /nfs/dbraw/zinc/78/00/77/382780077.db2.gz JJPSRAAQNNIDCL-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1cc(OC(F)F)cc(OC)c1CC#N ZINC000575659032 382780787 /nfs/dbraw/zinc/78/07/87/382780787.db2.gz ZLBLBDAJXQTYDK-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN N#CCc1ccc(N)c(I)c1Cl ZINC000575715913 382794863 /nfs/dbraw/zinc/79/48/63/382794863.db2.gz YSDOSCRVNMPZID-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN N#CCc1ccc(OC(F)F)c(O)c1OC(F)(F)F ZINC000575661904 382781486 /nfs/dbraw/zinc/78/14/86/382781486.db2.gz ORQXUSIXRKOKNF-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#Cc1c(OC(F)F)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575667522 382782890 /nfs/dbraw/zinc/78/28/90/382782890.db2.gz OINIXFXKOLVXNB-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN N#Cc1cc(OC(F)(F)F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668976 382783152 /nfs/dbraw/zinc/78/31/52/382783152.db2.gz WHQCGAOWFBBFAT-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOc1ccc(F)c(I)c1C#N ZINC000575670048 382783502 /nfs/dbraw/zinc/78/35/02/382783502.db2.gz DKEBJBGEFXYCBJ-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c([N+](=O)[O-])cc(C#N)cc1C(F)(F)F ZINC000575670787 382783583 /nfs/dbraw/zinc/78/35/83/382783583.db2.gz LINRZLCDPCASFY-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOc1cc(F)cc(C#N)c1I ZINC000575670606 382783617 /nfs/dbraw/zinc/78/36/17/382783617.db2.gz OKYIRVJWFFVIOY-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1ccc(C#N)c(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575670367 382783680 /nfs/dbraw/zinc/78/36/80/382783680.db2.gz GJBRGFXREJALGP-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1c(C)cc(C#N)cc1I ZINC000575671021 382784048 /nfs/dbraw/zinc/78/40/48/382784048.db2.gz PAHBLSAUAPCRGB-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOC(=O)c1c(OCC)ccc(C#N)c1OCC ZINC000575671858 382784068 /nfs/dbraw/zinc/78/40/68/382784068.db2.gz YNMRJORDKHZPTH-UHFFFAOYSA-N 0 0 263.293 2.532 10 30 CFEERN Cc1cc(OC(F)(F)F)c(CC#N)c([N+](=O)[O-])c1 ZINC000575674195 382784345 /nfs/dbraw/zinc/78/43/45/382784345.db2.gz QEMKPVKLTHNVCR-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1cc([N+](=O)[O-])cc(Br)c1Cl ZINC000575676707 382784648 /nfs/dbraw/zinc/78/46/48/382784648.db2.gz FLWNVQTYHBUECH-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1c(O)c(OC(F)F)ccc1Br ZINC000575681744 382786135 /nfs/dbraw/zinc/78/61/35/382786135.db2.gz BGZOIYGSKSRCLL-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN N#CCc1cc(OC(F)F)c(N)c(OC(F)(F)F)c1 ZINC000575717291 382795255 /nfs/dbraw/zinc/79/52/55/382795255.db2.gz MBUXFNMTROBGEA-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1cc(C(F)(F)F)cc(OC(F)F)c1N ZINC000575717396 382795256 /nfs/dbraw/zinc/79/52/56/382795256.db2.gz QENLCZLBBADUOS-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#CCc1c(Br)ccc(O)c1Br ZINC000575695545 382789846 /nfs/dbraw/zinc/78/98/46/382789846.db2.gz SAMMJMDPRMKPHT-UHFFFAOYSA-N 0 0 290.942 2.983 10 30 CFEERN Cc1ccc(F)c(CC#N)c1I ZINC000575704278 382791973 /nfs/dbraw/zinc/79/19/73/382791973.db2.gz BTZBIVMLBYGKDH-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN CC(C)(C)OC(=O)NC12CCC(C=O)(CC1)CC2 ZINC000220311286 382795653 /nfs/dbraw/zinc/79/56/53/382795653.db2.gz NDFVBLMGZYGPJV-UHFFFAOYSA-N 0 0 253.342 2.803 10 30 CFEERN COC(=O)c1cc(Cl)cc(C#N)c1OC(F)F ZINC000575342968 382759536 /nfs/dbraw/zinc/75/95/36/382759536.db2.gz BTAYYLMZCAPFIV-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1Cl ZINC000575343059 382759814 /nfs/dbraw/zinc/75/98/14/382759814.db2.gz ZZLQIXIDJYMMIE-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1cc(OC)cc(C(F)F)c1C#N ZINC000575343530 382759816 /nfs/dbraw/zinc/75/98/16/382759816.db2.gz FDMJUOAJHYRQJX-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1OC ZINC000575343613 382760107 /nfs/dbraw/zinc/76/01/07/382760107.db2.gz QGBSRBAIXKFQMO-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN N#Cc1ccc(NCC(F)F)cc1Br ZINC000228192725 382845758 /nfs/dbraw/zinc/84/57/58/382845758.db2.gz PKYHJRPTOQFLSG-UHFFFAOYSA-N 0 0 261.069 2.998 10 30 CFEERN CCSCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233831096 382872480 /nfs/dbraw/zinc/87/24/80/382872480.db2.gz IPGVUFWPILXRIY-SECBINFHSA-N 0 0 280.353 2.805 10 30 CFEERN CS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235243798 382878908 /nfs/dbraw/zinc/87/89/08/382878908.db2.gz BHWHXTOYRHBRKR-VHSXEESVSA-N 0 0 292.364 2.948 10 30 CFEERN C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCCO1 ZINC000235554052 382883513 /nfs/dbraw/zinc/88/35/13/382883513.db2.gz AKJQOXSESNERFN-BQBZGAKWSA-N 0 0 257.746 2.648 10 30 CFEERN C#CCC(=O)Nc1cc(F)c(Br)cc1C ZINC000235762511 382888158 /nfs/dbraw/zinc/88/81/58/382888158.db2.gz FKTUQHPBEKWFDW-UHFFFAOYSA-N 0 0 270.101 2.858 10 30 CFEERN N#Cc1nc(NCCSC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236118509 382891609 /nfs/dbraw/zinc/89/16/09/382891609.db2.gz DYZQBUVLGHTOFI-UHFFFAOYSA-N 0 0 292.242 2.526 10 30 CFEERN N#Cc1nc(NCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000236194071 382892414 /nfs/dbraw/zinc/89/24/14/382892414.db2.gz DNJFGNYOZCUABG-UHFFFAOYSA-N 0 0 272.239 2.613 10 30 CFEERN C[C@H](C#N)CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248459518 383246701 /nfs/dbraw/zinc/24/67/01/383246701.db2.gz VTTBWLCATLQFNT-OPRDCNLKSA-N 0 0 277.290 2.566 10 30 CFEERN C[C@H](COCc1ccccc1)Nc1ccnc(C#N)c1 ZINC000288400073 197067908 /nfs/dbraw/zinc/06/79/08/197067908.db2.gz MSYMSQIYXLSBKM-CYBMUJFWSA-N 0 0 267.332 2.970 10 30 CFEERN S=C(N/N=C/c1cccs1)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215723890 285408515 /nfs/dbraw/zinc/40/85/15/285408515.db2.gz TVHNQUQTSHYCFQ-XUKPQNFMSA-N 0 0 277.418 2.511 10 30 CFEERN N#Cc1ccc(-c2nc([C@H]3CCCCS3)no2)[nH]1 ZINC000231028823 130911752 /nfs/dbraw/zinc/91/17/52/130911752.db2.gz GDXBSVVAOQJSBC-SNVBAGLBSA-N 0 0 260.322 2.895 10 30 CFEERN C#C[C@@H](C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000186090844 393540274 /nfs/dbraw/zinc/54/02/74/393540274.db2.gz HIXJZJJJIMSPOW-DGCLKSJQSA-N 0 0 272.348 2.610 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000186090830 393540436 /nfs/dbraw/zinc/54/04/36/393540436.db2.gz HIXJZJJJIMSPOW-WCQYABFASA-N 0 0 272.348 2.610 10 30 CFEERN N#Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c[nH]1 ZINC000181145553 393491922 /nfs/dbraw/zinc/49/19/22/393491922.db2.gz MHBRQQVUJQEVBO-HNNXBMFYSA-N 0 0 265.316 2.694 10 30 CFEERN CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000181329521 393493675 /nfs/dbraw/zinc/49/36/75/393493675.db2.gz AJLQILBPDBVYAP-CQSZACIVSA-N 0 0 298.302 2.676 10 30 CFEERN CCc1ccc([C@H](C)NC(=O)NC[C@H](C)C#N)cc1 ZINC000182344843 393508769 /nfs/dbraw/zinc/50/87/69/393508769.db2.gz DNNAOWIJOBACIM-NEPJUHHUSA-N 0 0 259.353 2.769 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000182546017 393511357 /nfs/dbraw/zinc/51/13/57/393511357.db2.gz PUIRXFNAFNCZFT-YUMQZZPRSA-N 0 0 271.773 2.921 10 30 CFEERN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000192608108 393627971 /nfs/dbraw/zinc/62/79/71/393627971.db2.gz NWZSCTBCCUQQLT-UONOGXRCSA-N 0 0 276.380 2.828 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000080938271 393729465 /nfs/dbraw/zinc/72/94/65/393729465.db2.gz ODMZWZKPSXPKIV-OAHLLOKOSA-N 0 0 279.343 2.704 10 30 CFEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000120339877 393932829 /nfs/dbraw/zinc/93/28/29/393932829.db2.gz BWVSACQWEQGTQK-UONOGXRCSA-N 0 0 262.378 2.763 10 30 CFEERN Cc1cc(NCc2ncccc2C)c(C#N)c(C)n1 ZINC000133756998 394181934 /nfs/dbraw/zinc/18/19/34/394181934.db2.gz PEQLRZOXXFCQCY-UHFFFAOYSA-N 0 0 252.321 2.886 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000178574976 394389328 /nfs/dbraw/zinc/38/93/28/394389328.db2.gz HCPRAENPLDMPCT-ZFWWWQNUSA-N 0 0 287.363 2.539 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@+]1(C)[O-] ZINC000575626760 395091817 /nfs/dbraw/zinc/09/18/17/395091817.db2.gz KMCUGUZTYBNDJU-SUMWQHHRSA-O 0 0 263.361 2.630 10 30 CFEERN Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@+]1(C)[O-] ZINC000575626754 395091921 /nfs/dbraw/zinc/09/19/21/395091921.db2.gz KMCUGUZTYBNDJU-DYVFJYSZSA-O 0 0 263.361 2.630 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190678490 292045356 /nfs/dbraw/zinc/04/53/56/292045356.db2.gz SSHQMBJUXQOANY-AAEUAGOBSA-N 0 0 258.321 2.620 10 30 CFEERN C=CC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000405759352 543023843 /nfs/dbraw/zinc/02/38/43/543023843.db2.gz ZVQPJAVLIFBQHI-CQSZACIVSA-N 0 0 253.342 2.921 10 30 CFEERN C#CC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccs1 ZINC000405908569 543026434 /nfs/dbraw/zinc/02/64/34/543026434.db2.gz HVEXGWUEVURTGC-LLVKDONJSA-N 0 0 265.334 2.516 10 30 CFEERN C#CCCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406024261 543028921 /nfs/dbraw/zinc/02/89/21/543028921.db2.gz PKCVARHCTVKRAI-ZDUSSCGKSA-N 0 0 273.332 2.674 10 30 CFEERN CC#CCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406095950 543030390 /nfs/dbraw/zinc/03/03/90/543030390.db2.gz IFWGNIBNUYLGNM-ZDUSSCGKSA-N 0 0 273.332 2.674 10 30 CFEERN C[C@@H](NC(=O)C#CBr)c1ccccc1Cl ZINC000306676668 397642582 /nfs/dbraw/zinc/64/25/82/397642582.db2.gz WTWQSSGMWDFUIR-MRVPVSSYSA-N 0 0 286.556 2.873 10 30 CFEERN CO[C@](C)(CNC(=O)[C@@]1(C)CCCNC1=O)C1CC1 ZINC000329754912 286140803 /nfs/dbraw/zinc/14/08/03/286140803.db2.gz XRMJFUPLGGXMAF-UONOGXRCSA-N 0 0 268.357 2.515 10 30 CFEERN COc1cc(C#Cc2ccccc2O)cc(OC)c1 ZINC000095919553 286191640 /nfs/dbraw/zinc/19/16/40/286191640.db2.gz MPJSUOUJGMPAQU-UHFFFAOYSA-N 0 0 254.285 2.809 10 30 CFEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCCO1 ZINC000329701924 286393281 /nfs/dbraw/zinc/39/32/81/286393281.db2.gz HQPVDTQXFKQERX-CQSZACIVSA-N 0 0 276.336 2.624 10 30 CFEERN Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1C#N ZINC000374192630 157082173 /nfs/dbraw/zinc/08/21/73/157082173.db2.gz HWZNVSYDZACUOO-INIZCTEOSA-N 0 0 294.358 2.957 10 30 CFEERN C#Cc1ccc(C23OCC(C(C)(C)C)(CO2)CO3)cc1 ZINC000005351520 170088730 /nfs/dbraw/zinc/08/87/30/170088730.db2.gz XSVQRILIPMKEMF-UHFFFAOYSA-N 0 0 272.344 2.888 10 30 CFEERN COc1ccc(-c2ccc(SCC#N)nn2)cc1OC ZINC000005410529 170095233 /nfs/dbraw/zinc/09/52/33/170095233.db2.gz YTVMOWPTORCZTD-UHFFFAOYSA-N 0 0 287.344 2.776 10 30 CFEERN N#CC1=C([O-])C(=O)C2(C1)c1ccccc1-c1ccccc12 ZINC000005813427 170142410 /nfs/dbraw/zinc/14/24/10/170142410.db2.gz NBZRKLUWTXMVFR-LLVKDONJSA-N 0 0 273.291 2.635 10 30 CFEERN Cc1cccc([S@@](=O)c2cccc(N)c2C#N)c1 ZINC000005931258 170156987 /nfs/dbraw/zinc/15/69/87/170156987.db2.gz VIFDNSNSPURBMX-SFHVURJKSA-N 0 0 256.330 2.616 10 30 in-vivo CFEERN N#Cc1ccc(Sc2cccc3nc(N)nc(N)c32)cc1 ZINC000005974268 170164935 /nfs/dbraw/zinc/16/49/35/170164935.db2.gz NFTAQIKJNIWXLG-UHFFFAOYSA-N 0 0 293.355 2.817 10 30 CFEERN COc1ccc(NNC(=Nc2nccs2)C(C)=O)cc1 ZINC000006820482 170246566 /nfs/dbraw/zinc/24/65/66/170246566.db2.gz WACCQJZYPWFGGR-UHFFFAOYSA-N 0 0 290.348 2.578 10 30 CFEERN C[C@H](Sc1nncs1)C(=O)Nc1ccc(C#N)cc1 ZINC000007194814 170270939 /nfs/dbraw/zinc/27/09/39/170270939.db2.gz NQUMUZVDQTVAAX-QMMMGPOBSA-N 0 0 290.373 2.529 10 30 CFEERN COc1ccc(C(=O)O/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000008208118 170324550 /nfs/dbraw/zinc/32/45/50/170324550.db2.gz NACWYVGCGHQCLJ-RQZCQDPDSA-N 0 0 299.282 2.615 10 30 CFEERN CC(C)CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl ZINC000008256764 170327453 /nfs/dbraw/zinc/32/74/53/170327453.db2.gz RLBICZQNPCUSJX-SNVBAGLBSA-N 0 0 280.755 2.751 10 30 CFEERN COc1ccc(-c2[nH+]c(/C=N/[O-])c3ccccn32)cc1 ZINC000008492883 170338074 /nfs/dbraw/zinc/33/80/74/170338074.db2.gz UELNNWKDWOQXEC-MHWRWJLKSA-N 0 0 267.288 2.818 10 30 CFEERN Cc1cc(N2C[C@@H](C#N)CC2=O)ccc1Br ZINC000011894413 170456040 /nfs/dbraw/zinc/45/60/40/170456040.db2.gz XWESNJSPHZVTEV-SECBINFHSA-N 0 0 279.137 2.634 10 30 CFEERN N#C[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000011894459 170456071 /nfs/dbraw/zinc/45/60/71/170456071.db2.gz KBWPAWKNQOWIBF-ZETCQYMHSA-N 0 0 255.104 2.870 10 30 CFEERN CC1=NNC(=O)C1=NNc1ccc(Oc2ccccc2)cc1 ZINC000012575503 170498261 /nfs/dbraw/zinc/49/82/61/170498261.db2.gz FEDLIQJDTAFRHY-UHFFFAOYSA-N 0 0 294.314 2.753 10 30 CFEERN C[C@@H](OCc1ccco1)C(=O)Nc1ccc(C#N)cc1 ZINC000019847219 170896161 /nfs/dbraw/zinc/89/61/61/170896161.db2.gz FUMVBJPCCMJORJ-LLVKDONJSA-N 0 0 270.288 2.695 10 30 CFEERN N/C(=N\O)c1ccc(Sc2cccs2)cc1 ZINC000020078205 170985272 /nfs/dbraw/zinc/98/52/72/170985272.db2.gz IHOOSMDCZRJFRN-UHFFFAOYSA-N 0 0 250.348 2.994 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2cccc(O)c2)cc1 ZINC000020212839 171075901 /nfs/dbraw/zinc/07/59/01/171075901.db2.gz MGGSOXMFRAYCCO-UHFFFAOYSA-N 0 0 253.261 2.908 10 30 CFEERN C[C@H](C#N)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000020223400 171085756 /nfs/dbraw/zinc/08/57/56/171085756.db2.gz IVVWCINIVIIYIF-LLVKDONJSA-N 0 0 265.378 2.917 10 30 CFEERN C[C@@H](C(=O)NC(C)(C)C)N(CCC#N)c1ccccc1 ZINC000020358736 171157220 /nfs/dbraw/zinc/15/72/20/171157220.db2.gz QTQSNRPTJCNDRZ-ZDUSSCGKSA-N 0 0 273.380 2.710 10 30 CFEERN CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(CC#N)cc1 ZINC000020363373 171162359 /nfs/dbraw/zinc/16/23/59/171162359.db2.gz MLGKNUXXONVVOX-CHWSQXEVSA-N 0 0 274.364 2.825 10 30 CFEERN C#CCNC(=O)[C@H](C)Nc1ccccc1SC(F)F ZINC000020420241 171185497 /nfs/dbraw/zinc/18/54/97/171185497.db2.gz DWRXBFAKOXARCY-VIFPVBQESA-N 0 0 284.331 2.551 10 30 CFEERN C=CCn1c(CC)nnc1SCC(=O)OC1CCCC1 ZINC000020425739 171192176 /nfs/dbraw/zinc/19/21/76/171192176.db2.gz YJUNDYYXYUIKOZ-UHFFFAOYSA-N 0 0 295.408 2.604 10 30 CFEERN C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021347104 171303024 /nfs/dbraw/zinc/30/30/24/171303024.db2.gz GZLZPKWKNIUODK-OAHLLOKOSA-N 0 0 298.386 2.549 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cc2)o1 ZINC000021839620 171334982 /nfs/dbraw/zinc/33/49/82/171334982.db2.gz OJNCNFCQPBLGHM-LLVKDONJSA-N 0 0 254.289 2.951 10 30 CFEERN Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1N ZINC000022166109 171365894 /nfs/dbraw/zinc/36/58/94/171365894.db2.gz LMQZIDBFXVNQQE-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN Cc1ccc(C(=Cc2nc3ccccc3[nH]c2=O)NN)cc1 ZINC000022589506 171393567 /nfs/dbraw/zinc/39/35/67/171393567.db2.gz JKZLAIZTJWCMDF-DHJDHYBESA-N 0 0 292.342 2.606 10 30 CFEERN SCCc1ccccc1I ZINC000034487427 171841451 /nfs/dbraw/zinc/84/14/51/171841451.db2.gz SIUBZRQUSXYLCV-UHFFFAOYSA-N 0 0 264.131 2.764 10 30 CFEERN Cc1n[nH]c(=S)n1N=Cc1ccc(Br)cc1 ZINC000035418108 172190557 /nfs/dbraw/zinc/19/05/57/172190557.db2.gz GMXLERDQJFTKRS-SDQBBNPISA-N 0 0 297.181 2.894 10 30 CFEERN N#Cc1ccccc1Oc1nc2sccn2c1C=O ZINC000035428507 172196723 /nfs/dbraw/zinc/19/67/23/172196723.db2.gz UPBGMPSJJPXXFA-UHFFFAOYSA-N 0 0 269.285 2.872 10 30 CFEERN CCN(CC)c1ccc(C=Nn2cn[nH]c2=S)cc1 ZINC000035455777 172206820 /nfs/dbraw/zinc/20/68/20/172206820.db2.gz IKBHKZAWQBNJIX-DHDCSXOGSA-N 0 0 275.381 2.669 10 30 CFEERN O=c1[nH]ncc(NN=Cc2ccccc2Cl)c1Cl ZINC000035469729 172220477 /nfs/dbraw/zinc/22/04/77/172220477.db2.gz MKNOBOIFHYNQCE-RZNTYIFUSA-N 0 0 283.118 2.935 10 30 CFEERN N#CC(=NNc1ccc(Cl)cc1)C1=NC(=O)CS1 ZINC000035575953 172273194 /nfs/dbraw/zinc/27/31/94/172273194.db2.gz DELAERUDNWEFIJ-SXGWCWSVSA-N 0 0 278.724 2.842 10 30 CFEERN C=CCNC(=O)COc1c2ccccc2ccc1[C@H](C)O ZINC000035628055 172306975 /nfs/dbraw/zinc/30/69/75/172306975.db2.gz REWZGGODTAMAIA-LBPRGKRZSA-N 0 0 285.343 2.574 10 30 CFEERN C=CCNC(=O)[C@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000036150780 172475110 /nfs/dbraw/zinc/47/51/10/172475110.db2.gz OHYHCTWTERCESO-MRXNPFEDSA-N 0 0 284.334 2.849 10 30 CFEERN C#Cc1cccc(N[C@H]2CCCc3c2cnn3C)c1 ZINC000037051428 172918807 /nfs/dbraw/zinc/91/88/07/172918807.db2.gz UULPTTZDUWNIRX-HNNXBMFYSA-N 0 0 251.333 2.891 10 30 CFEERN N/C(CC(=O)Nc1ccccc1Oc1ccccc1)=N\O ZINC000037338483 173139084 /nfs/dbraw/zinc/13/90/84/173139084.db2.gz YONXSZIBCLXMIF-UHFFFAOYSA-N 0 0 285.303 2.554 10 30 CFEERN COc1ccc(CCn2c(C)c(C)c(C#N)c2N)cc1 ZINC000037352783 173145975 /nfs/dbraw/zinc/14/59/75/173145975.db2.gz QYOAXUYRPDMEKC-UHFFFAOYSA-N 0 0 269.348 2.810 10 30 CFEERN C=CCSc1ccccc1NC(=O)c1ccc(=O)[nH]c1 ZINC000037493897 173233594 /nfs/dbraw/zinc/23/35/94/173233594.db2.gz FGGQPVMDYJPTPO-UHFFFAOYSA-N 0 0 286.356 2.905 10 30 CFEERN CC(C)(C)SCC(=O)Nc1ccc(C#CCO)cc1 ZINC000037548460 173265276 /nfs/dbraw/zinc/26/52/76/173265276.db2.gz SGLCQSRJUGCXQJ-UHFFFAOYSA-N 0 0 277.389 2.501 10 30 CFEERN CC(C)(C)[N@H+](CCC(=O)[O-])Cc1ccccc1C#N ZINC000037597288 173548406 /nfs/dbraw/zinc/54/84/06/173548406.db2.gz WPCPWDLZVILUMD-UHFFFAOYSA-N 0 0 260.337 2.633 10 30 CFEERN N#C[C@H](NCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000037971258 173922341 /nfs/dbraw/zinc/92/23/41/173922341.db2.gz XUHGOSKLERFGJB-JTQLQIEISA-N 0 0 286.253 2.564 10 30 CFEERN COc1ccc([C@@H](C#N)N(C)C)cc1Br ZINC000038052562 174063983 /nfs/dbraw/zinc/06/39/83/174063983.db2.gz XICNUDLHPKDTTG-SNVBAGLBSA-N 0 0 269.142 2.584 10 30 CFEERN N#Cc1ccnc(Oc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000038081125 174090460 /nfs/dbraw/zinc/09/04/60/174090460.db2.gz RDSQHGXNKUITPK-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN CC[C@H](C)[C@@H](C=O)N(C)C(=O)OCc1ccccc1 ZINC000038679163 174151556 /nfs/dbraw/zinc/15/15/56/174151556.db2.gz ZSMILCLRTJGXMI-GXTWGEPZSA-N 0 0 263.337 2.869 10 30 CFEERN Clc1ccc([C@@]2(Cn3cncn3)CO2)c(Cl)c1 ZINC000038815860 174156677 /nfs/dbraw/zinc/15/66/77/174156677.db2.gz XSWWLUJJHSNVIB-LLVKDONJSA-N 0 0 270.119 2.511 10 30 CFEERN CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Cl ZINC000039081030 174163211 /nfs/dbraw/zinc/16/32/11/174163211.db2.gz FLNPQAPRLVILQO-LBPRGKRZSA-N 0 0 264.712 2.557 10 30 CFEERN C=CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 ZINC000039771543 174171972 /nfs/dbraw/zinc/17/19/72/174171972.db2.gz IOQIGXQTTUUWFN-UHFFFAOYSA-N 0 0 261.321 2.659 10 30 CFEERN C=CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000040190228 174203204 /nfs/dbraw/zinc/20/32/04/174203204.db2.gz ZAEZCIVHROEKTM-UHFFFAOYSA-N 0 0 271.364 2.885 10 30 CFEERN C=CCN(CC=C)C(=O)c1ccc(Cl)cc1N ZINC000040308703 174229635 /nfs/dbraw/zinc/22/96/35/174229635.db2.gz KEQYBZXZACGAID-UHFFFAOYSA-N 0 0 250.729 2.736 10 30 CFEERN CC(C)Nc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000040373720 174249080 /nfs/dbraw/zinc/24/90/80/174249080.db2.gz AJJDYBCNEABGJB-UHFFFAOYSA-N 0 0 272.264 2.942 10 30 CFEERN N#Cc1ccccc1N1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000040421799 174257709 /nfs/dbraw/zinc/25/77/09/174257709.db2.gz YLRHTIOGFWWBKP-AWEZNQCLSA-N 0 0 276.295 2.605 10 30 CFEERN CCN(CC)C(=O)[C@@]1(CCCc2ccccc2)CO1 ZINC000040465997 174274982 /nfs/dbraw/zinc/27/49/82/174274982.db2.gz JSNXJKUSJPKMBE-MRXNPFEDSA-N 0 0 261.365 2.647 10 30 CFEERN Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1N ZINC000040516506 174307111 /nfs/dbraw/zinc/30/71/11/174307111.db2.gz TXVIUKGWMJBSPY-UHFFFAOYSA-N 0 0 280.253 2.962 10 30 CFEERN CC(C)(C)Cc1cc(N)n(-c2ccc(C#N)cc2)n1 ZINC000040671026 174368747 /nfs/dbraw/zinc/36/87/47/174368747.db2.gz GEZABIYBBJTKGT-UHFFFAOYSA-N 0 0 254.337 2.915 10 30 CFEERN CCc1c(C)nn(CC(=O)Nc2ccc(C#N)cc2)c1C ZINC000040732466 174388789 /nfs/dbraw/zinc/38/87/89/174388789.db2.gz CHPYPULMPNZRAU-UHFFFAOYSA-N 0 0 282.347 2.573 10 30 CFEERN Cc1ccc(N)cc1C(=O)OCc1ccccc1C#N ZINC000041099399 174479950 /nfs/dbraw/zinc/47/99/50/174479950.db2.gz PKTKXVLAJUUVEH-UHFFFAOYSA-N 0 0 266.300 2.806 10 30 CFEERN CC(C)CN(C(=O)c1cccc(C#CCCO)c1)C1CC1 ZINC000042560712 174796293 /nfs/dbraw/zinc/79/62/93/174796293.db2.gz NRXIRFMRANNYQC-UHFFFAOYSA-N 0 0 285.387 2.681 10 30 CFEERN CC[C@@H](C)N(CCOC)c1nc(C)cc(C)c1C#N ZINC000042591920 174812075 /nfs/dbraw/zinc/81/20/75/174812075.db2.gz KRPSJQPYBLNNSJ-CYBMUJFWSA-N 0 0 261.369 2.821 10 30 CFEERN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1C#CCO ZINC000042871211 174897906 /nfs/dbraw/zinc/89/79/06/174897906.db2.gz PMOIKFWICIMVRZ-GOEBONIOSA-N 0 0 285.387 2.587 10 30 CFEERN COCc1c(Br)cccc1N[C@@H](C)C#N ZINC000043515235 175061463 /nfs/dbraw/zinc/06/14/63/175061463.db2.gz QJAQQIAMYFZTKH-QMMMGPOBSA-N 0 0 269.142 2.919 10 30 CFEERN CC[C@@H](C#N)NCc1ccccc1Br ZINC000043540931 175063710 /nfs/dbraw/zinc/06/37/10/175063710.db2.gz BFBKQSMNDBNTSU-JTQLQIEISA-N 0 0 253.143 2.841 10 30 CFEERN CN(C(=O)c1ccc(C#CCO)c(F)c1)C1CCCCC1 ZINC000043581799 175069442 /nfs/dbraw/zinc/06/94/42/175069442.db2.gz VJTIBOUULDHIJF-UHFFFAOYSA-N 0 0 289.350 2.574 10 30 CFEERN CC[C@@H](NC(=O)c1ccc(C#CCCO)c(F)c1)C(C)C ZINC000043582305 175070001 /nfs/dbraw/zinc/07/00/01/175070001.db2.gz XMSBCFZLFGEIOV-MRXNPFEDSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(C#CCO)c(F)c1 ZINC000043582404 175070142 /nfs/dbraw/zinc/07/01/42/175070142.db2.gz XBGIGISQMWUNIX-CYBMUJFWSA-N 0 0 291.366 2.676 10 30 CFEERN N#Cc1cc(C(F)(F)F)ccc1-n1cc([N+](=O)[O-])cn1 ZINC000043598072 175077196 /nfs/dbraw/zinc/07/71/96/175077196.db2.gz RNFTYSNVESTKHL-UHFFFAOYSA-N 0 0 282.181 2.671 10 30 CFEERN CCOC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl ZINC000043638187 175084230 /nfs/dbraw/zinc/08/42/30/175084230.db2.gz VBOGPKTTWQLDOQ-QMMMGPOBSA-N 0 0 253.685 2.542 10 30 CFEERN Cc1occc1CN(C)Cc1ccc(C#CCO)s1 ZINC000043678588 175089597 /nfs/dbraw/zinc/08/95/97/175089597.db2.gz XIRJOGLOSRJCHG-UHFFFAOYSA-N 0 0 275.373 2.625 10 30 CFEERN COc1cccc(OCc2ccc(C#CCO)s2)c1 ZINC000043682490 175091290 /nfs/dbraw/zinc/09/12/90/175091290.db2.gz PSHAXQOSOZNYRE-UHFFFAOYSA-N 0 0 274.341 2.680 10 30 CFEERN O=[N+]([O-])c1ccccc1OCc1sccc1C#CCO ZINC000043683025 175091304 /nfs/dbraw/zinc/09/13/04/175091304.db2.gz WFQRETPROQCYRW-UHFFFAOYSA-N 0 0 289.312 2.579 10 30 CFEERN N#Cc1ccc(OCc2ccc(C#CCO)s2)cc1 ZINC000043682544 175091378 /nfs/dbraw/zinc/09/13/78/175091378.db2.gz VAXFVMSTVQPNFO-UHFFFAOYSA-N 0 0 269.325 2.543 10 30 CFEERN COc1cc(C)ccc1OCc1sccc1C#CCO ZINC000043682784 175091384 /nfs/dbraw/zinc/09/13/84/175091384.db2.gz UAUDMLGZHZVKTF-UHFFFAOYSA-N 0 0 288.368 2.988 10 30 CFEERN OCCC#Cc1csc(COCC(F)(F)F)c1 ZINC000043698959 175096800 /nfs/dbraw/zinc/09/68/00/175096800.db2.gz WEHNGQLOBPIKRZ-UHFFFAOYSA-N 0 0 264.268 2.561 10 30 CFEERN O=[N+]([O-])c1ccc(OCc2cc(C#CCO)cs2)cc1 ZINC000043699370 175097546 /nfs/dbraw/zinc/09/75/46/175097546.db2.gz XJOLQIYTUMPTPO-UHFFFAOYSA-N 0 0 289.312 2.579 10 30 CFEERN N#Cc1cccc(C[N@@H+]2CCc3sccc3[C@H]2C(=O)[O-])c1 ZINC000044592262 175213766 /nfs/dbraw/zinc/21/37/66/175213766.db2.gz KQPRKURBJMTLRN-HNNXBMFYSA-N 0 0 298.367 2.804 10 30 CFEERN CCC(CC)N(CCOC)C(=O)C1(C#N)CCCC1 ZINC000044767136 175249721 /nfs/dbraw/zinc/24/97/21/175249721.db2.gz BBRCCLCLHKORGW-UHFFFAOYSA-N 0 0 266.385 2.734 10 30 CFEERN N#C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000044809253 175257700 /nfs/dbraw/zinc/25/77/00/175257700.db2.gz HOHQBNGWCUAPQG-MRXNPFEDSA-N 0 0 264.328 2.685 10 30 CFEERN OCC#Cc1cccc(COCc2cccs2)c1 ZINC000049622204 175495355 /nfs/dbraw/zinc/49/53/55/175495355.db2.gz VBMBQYCSMVMWPM-UHFFFAOYSA-N 0 0 258.342 2.809 10 30 CFEERN C[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000061842343 175656201 /nfs/dbraw/zinc/65/62/01/175656201.db2.gz RJZLPSXRZDDUNW-ZETCQYMHSA-N 0 0 295.129 2.900 10 30 CFEERN CSc1nn(Cc2cccc(Cl)c2)c(N)c1C#N ZINC000071193857 176075785 /nfs/dbraw/zinc/07/57/85/176075785.db2.gz WULDSIBFEIQFFQ-UHFFFAOYSA-N 0 0 278.768 2.761 10 30 CFEERN CC(C)C[C@H](C)OCc1ccc(F)cc1/C(N)=N/O ZINC000071267275 176100903 /nfs/dbraw/zinc/10/09/03/176100903.db2.gz JPDSWOYDZGQUOS-JTQLQIEISA-N 0 0 268.332 2.871 10 30 CFEERN Cc1cccc2c1C(=O)N(c1ccc3c(c1)OCO3)[C@@H]2C#N ZINC000071678198 176242855 /nfs/dbraw/zinc/24/28/55/176242855.db2.gz KQVURWIVOOKFCV-CYBMUJFWSA-N 0 0 292.294 2.949 10 30 CFEERN Cc1c2c(ccc1Cl)[C@H](C#N)N(CC(C)(C)CO)C2=O ZINC000071679745 176244514 /nfs/dbraw/zinc/24/45/14/176244514.db2.gz FTXJMAYZYZBYMZ-LBPRGKRZSA-N 0 0 292.766 2.687 10 30 CFEERN CC[C@H]1CCC(=O)N(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000079225922 177450280 /nfs/dbraw/zinc/45/02/80/177450280.db2.gz QHDAQFLDNITKLQ-ZDUSSCGKSA-N 0 0 284.359 2.780 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000334631847 225170853 /nfs/dbraw/zinc/17/08/53/225170853.db2.gz WMSRCYGMRHDCBZ-XVKPBYJWSA-N 0 0 268.238 2.526 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1nc(C2CC2)n2ccccc12 ZINC000329191805 227346597 /nfs/dbraw/zinc/34/65/97/227346597.db2.gz SMWOJWWIFBMLRB-OLZOCXBDSA-N 0 0 294.358 2.634 10 30 CFEERN CC[C@H](C#N)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000160859697 261229284 /nfs/dbraw/zinc/22/92/84/261229284.db2.gz CXJBNICJDBIPSY-SSDOTTSWSA-N 0 0 293.175 2.574 10 30 CFEERN CC(C)c1nnc(CNc2ccccc2O[C@@H](C)C#N)n1C ZINC000182559443 261943528 /nfs/dbraw/zinc/94/35/28/261943528.db2.gz GIWYMPMLUOTEKV-LBPRGKRZSA-N 0 0 299.378 2.841 10 30 CFEERN O=C(N[C@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1 ZINC000034401370 262382620 /nfs/dbraw/zinc/38/26/20/262382620.db2.gz DURMMNMFHRIMJD-IAGOWNOFSA-N 0 0 297.354 2.923 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1sccc1Cl ZINC000162966128 262385389 /nfs/dbraw/zinc/38/53/89/262385389.db2.gz YVIVRDQKAPLVMY-VXNVDRBHSA-N 0 0 254.742 2.824 10 30 CFEERN CCN(CC)c1ncc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000061892169 262406093 /nfs/dbraw/zinc/40/60/93/262406093.db2.gz IZEIFDYPPRAVAJ-AAEUAGOBSA-N 0 0 278.425 2.771 10 30 CFEERN O=C(C[C@H]1CCCCC(=O)N1)NCCc1nccs1 ZINC000328669591 263836568 /nfs/dbraw/zinc/83/65/68/263836568.db2.gz MEQUSJBOLBCCOI-SNVBAGLBSA-N 0 0 281.381 2.931 10 30 CFEERN C[C@@H]1CCc2nc(NC(=O)N3CCCOCC3)sc2C1 ZINC000328725513 263841097 /nfs/dbraw/zinc/84/10/97/263841097.db2.gz BLHBZLBUXBRYJH-SNVBAGLBSA-N 0 0 295.408 2.536 10 30 CFEERN C=CCCS(=O)(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119576963 267346045 /nfs/dbraw/zinc/34/60/45/267346045.db2.gz SNPJUVXVDRARDZ-AWEZNQCLSA-N 0 0 283.368 2.699 10 30 CFEERN C=C[C@H](C)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000038285104 277910618 /nfs/dbraw/zinc/91/06/18/277910618.db2.gz FAZLEVGCLGUJHN-SRVKXCTJSA-N 0 0 255.358 2.569 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063006855 279489131 /nfs/dbraw/zinc/48/91/31/279489131.db2.gz OTBRJZBFFQWXSE-RDDDGLTNSA-N 0 0 268.238 2.526 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175186194 279498830 /nfs/dbraw/zinc/49/88/30/279498830.db2.gz LJGWDACBHDBFKE-VHSXEESVSA-N 0 0 285.269 2.737 10 30 CFEERN N#Cc1ccc2c(c1)C(=O)O[C@@H]2c1ccc(F)cc1 ZINC000022059491 279528964 /nfs/dbraw/zinc/52/89/64/279528964.db2.gz VVXGNGGTQDOLGK-CQSZACIVSA-N 0 0 253.232 2.957 10 30 in-vitro CFEERN CCOC(=O)[C@]1(C)CCN(c2c(Cl)cccc2C#N)C1 ZINC000154900807 279628333 /nfs/dbraw/zinc/62/83/33/279628333.db2.gz KPBIOUHXDJKQNQ-OAHLLOKOSA-N 0 0 292.766 2.991 10 30 CFEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000163873271 280316137 /nfs/dbraw/zinc/31/61/37/280316137.db2.gz GXXJFFZWPFMBIG-OAHLLOKOSA-N 0 0 278.311 2.730 10 30 CFEERN CC[C@@H]1CN(c2cc(C)nc(C)c2C#N)CCS1 ZINC000158084169 280443496 /nfs/dbraw/zinc/44/34/96/280443496.db2.gz NXIBCTNJSKBXNQ-GFCCVEGCSA-N 0 0 261.394 2.902 10 30 CFEERN CC(C)n1nnnc1CSCc1cc(F)ccc1C#N ZINC000125813164 280646767 /nfs/dbraw/zinc/64/67/67/280646767.db2.gz TYSWKEUQXVYUCE-UHFFFAOYSA-N 0 0 291.355 2.698 10 30 CFEERN CC[C@H]1CN(c2cc(C)nc(C)c2C#N)CCS1 ZINC000158084321 288299559 /nfs/dbraw/zinc/29/95/59/288299559.db2.gz NXIBCTNJSKBXNQ-LBPRGKRZSA-N 0 0 261.394 2.902 10 30 CFEERN N#Cc1cccc(Cl)c1I ZINC000095642605 294961321 /nfs/dbraw/zinc/96/13/21/294961321.db2.gz LRKGKRCXVFYLOP-UHFFFAOYSA-N 0 0 263.465 2.816 10 30 CFEERN N#Cc1cnc(I)c(C(F)(F)F)c1 ZINC000097758509 294987643 /nfs/dbraw/zinc/98/76/43/294987643.db2.gz YKULXRQVINCMNE-UHFFFAOYSA-N 0 0 298.005 2.577 10 30 CFEERN Cc1cc(C)c(C#N)c(N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000108946219 301161997 /nfs/dbraw/zinc/16/19/97/301161997.db2.gz LXJKXDXZWKCEOX-OAHLLOKOSA-N 0 0 281.363 2.645 10 30 CFEERN N#CC1(NC2CCCCCC2)CCC2(CC1)OCCO2 ZINC000037970112 303147110 /nfs/dbraw/zinc/14/71/10/303147110.db2.gz GGPMCHYYGFKPJF-UHFFFAOYSA-N 0 0 278.396 2.878 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(c2ccccc2)CCC1 ZINC000336496803 303167466 /nfs/dbraw/zinc/16/74/66/303167466.db2.gz OSKBBXOKIKYZDN-UKRRQHHQSA-N 0 0 268.360 2.917 10 30 CFEERN N#Cc1cc(N2CCCC[C@@H]2c2nccs2)ncn1 ZINC000575912129 322733915 /nfs/dbraw/zinc/73/39/15/322733915.db2.gz HEROGYBGUCBARA-LLVKDONJSA-N 0 0 271.349 2.536 10 30 CFEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)COCc1ccccc1 ZINC000172953890 329140416 /nfs/dbraw/zinc/14/04/16/329140416.db2.gz GKOOENNNQSGREI-CABCVRRESA-N 0 0 291.391 2.689 10 30 CFEERN C=CCNC(=O)c1ccc(N[C@H](C)c2cccc(O)c2)nc1 ZINC000174720412 329161113 /nfs/dbraw/zinc/16/11/13/329161113.db2.gz JHBGPGYAWGUVHQ-GFCCVEGCSA-N 0 0 297.358 2.876 10 30 CFEERN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000178132957 329196451 /nfs/dbraw/zinc/19/64/51/329196451.db2.gz ADKMFDHLZWGZIS-IUODEOHRSA-N 0 0 277.339 2.908 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000187076370 329352286 /nfs/dbraw/zinc/35/22/86/329352286.db2.gz SDABXGNXOWSROE-ZNMIVQPWSA-N 0 0 295.423 2.679 10 30 CFEERN CCCCCCCC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000114865835 329543977 /nfs/dbraw/zinc/54/39/77/329543977.db2.gz IYHPSTPMRSTBIV-CYBMUJFWSA-N 0 0 292.427 2.632 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1 ZINC000061888677 329681413 /nfs/dbraw/zinc/68/14/13/329681413.db2.gz YQSUJQPFUUVVFU-CMPLNLGQSA-N 0 0 293.164 2.871 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Br ZINC000061888937 329681432 /nfs/dbraw/zinc/68/14/32/329681432.db2.gz NWNRKRBQWPTUNN-JOYOIKCWSA-N 0 0 293.164 2.871 10 30 CFEERN C#CCCCOC(=O)[C@H](CCC)NC(=O)OC(C)(C)C ZINC000105760798 330328194 /nfs/dbraw/zinc/32/81/94/330328194.db2.gz NWBYLNAARLZMMJ-LBPRGKRZSA-N 0 0 283.368 2.636 10 30 CFEERN 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289.379 2.604 10 30 CFEERN C#CCN[C@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC000051965091 518293937 /nfs/dbraw/zinc/29/39/37/518293937.db2.gz JJOSVDDMORJUSR-LBPRGKRZSA-N 0 0 285.265 2.532 10 30 CFEERN CC(C)(C#N)c1ccc(NCc2ccncn2)cc1 ZINC000054789005 518507492 /nfs/dbraw/zinc/50/74/92/518507492.db2.gz QTLQCZICQGODDS-UHFFFAOYSA-N 0 0 252.321 2.890 10 30 CFEERN C=CCCCCC/C=C/[C@@H](O)C#CC#C[C@H](O)C=C ZINC000003870654 518697906 /nfs/dbraw/zinc/69/79/06/518697906.db2.gz OLUQMFYBNOJBQQ-PNUWANSTSA-N 0 0 258.361 2.594 10 30 CFEERN CC(C)(C)Sc1ccc(/C(N)=N/O)cc1[N+](=O)[O-] ZINC000050441722 518912477 /nfs/dbraw/zinc/91/24/77/518912477.db2.gz OTDYCFPGDKZQEX-UHFFFAOYSA-N 0 0 269.326 2.580 10 30 CFEERN C=CCN[C@]1(C(=O)OCC)CCSc2ccccc21 ZINC000051962119 518961454 /nfs/dbraw/zinc/96/14/54/518961454.db2.gz CRFNLWVJLGGHSH-OAHLLOKOSA-N 0 0 277.389 2.716 10 30 CFEERN C=CCN[C@](C)(C(=O)OCC)c1cc(C)ccc1OC ZINC000051962273 518961560 /nfs/dbraw/zinc/96/15/60/518961560.db2.gz KJXFLQDEQSGORQ-INIZCTEOSA-N 0 0 277.364 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CFEERN CN(Cc1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000086713960 626409389 /nfs/dbraw/zinc/40/93/89/626409389.db2.gz ACUPBWZTIVHMBU-UHFFFAOYSA-N 0 0 257.337 2.596 10 30 CFEERN C=C(C)COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000194492654 636784492 /nfs/dbraw/zinc/78/44/92/636784492.db2.gz DHQPOFAMKNBNHV-LBPRGKRZSA-N 0 0 283.368 2.753 10 30 CFEERN C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)[C@H](C)O ZINC000125452486 642635285 /nfs/dbraw/zinc/63/52/85/642635285.db2.gz NFCBORCZYGCPHN-SFYZADRCSA-N 0 0 258.243 2.758 10 30 CFEERN C[C@H](O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000125452246 642635542 /nfs/dbraw/zinc/63/55/42/642635542.db2.gz NFCBORCZYGCPHN-YUMQZZPRSA-N 0 0 258.243 2.758 10 30 CFEERN COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C#N)C2CC2)c1 ZINC000245458225 650816516 /nfs/dbraw/zinc/81/65/16/650816516.db2.gz CPRCNGGKVWCSMM-SOUVJXGZSA-N 0 0 271.316 2.644 10 30 CFEERN COc1cccc(/C=C2\C(=O)ON=C2C)c1OC(C)C ZINC000096193685 650986789 /nfs/dbraw/zinc/98/67/89/650986789.db2.gz XAPYIDGOHMLMTJ-WQLSENKSSA-N 0 0 275.304 2.799 10 30 CFEERN C#CCNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000026525196 645571762 /nfs/dbraw/zinc/57/17/62/645571762.db2.gz VFYMHKSQMZGEFJ-QMMMGPOBSA-N 0 0 271.147 2.987 10 30 CFEERN CCO[C@]1(c2nnc(-c3ccc(C#N)cc3C)o2)CCOC1 ZINC000886082281 646858360 /nfs/dbraw/zinc/85/83/60/646858360.db2.gz SBRIAGYFBZDOMD-MRXNPFEDSA-N 0 0 299.330 2.569 10 30 CFEERN C[C@@H](c1ncccn1)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000930558228 649273667 /nfs/dbraw/zinc/27/36/67/649273667.db2.gz MNQIIUNLHUATGC-IMJJTQAJSA-N 0 0 278.359 2.777 10 30 CFEERN COCc1nc(N2CCC[C@@H](C)C2)sc1CC#N ZINC000082237858 177926636 /nfs/dbraw/zinc/92/66/36/177926636.db2.gz ZONYHCBTMPADSO-SNVBAGLBSA-N 0 0 265.382 2.592 10 30 CFEERN N#Cc1cc(I)ccc1OC1CC1 ZINC000095734992 185022959 /nfs/dbraw/zinc/02/29/59/185022959.db2.gz LCXRBZXYQPIKMR-UHFFFAOYSA-N 0 0 285.084 2.704 10 30 CFEERN COc1ccccc1CCn1c(C)c(C)c(C#N)c1N ZINC000095952627 185041358 /nfs/dbraw/zinc/04/13/58/185041358.db2.gz MZLIAKIGMICHQO-UHFFFAOYSA-N 0 0 269.348 2.810 10 30 CFEERN Cc1c(/C=C\C(=O)c2cc3ccccc3oc2=O)cnn1C ZINC000096854181 185117503 /nfs/dbraw/zinc/11/75/03/185117503.db2.gz INVNCULWOCUSFJ-FPLPWBNLSA-N 0 0 294.310 2.731 10 30 CFEERN CCC1(CC)CN(c2ccc(F)cc2C#N)CC[S@@]1=O ZINC000302231468 282379567 /nfs/dbraw/zinc/37/95/67/282379567.db2.gz XULACKSRHCTTNK-HXUWFJFHSA-N 0 0 294.395 2.825 10 30 CFEERN OC[C@@H](Cc1ccccc1)/N=C/c1ccc(F)cc1 ZINC000003623355 346208742 /nfs/dbraw/zinc/20/87/42/346208742.db2.gz MNTNYBDTGMBVFB-YCPFAOKUSA-N 0 0 257.308 2.848 10 30 CFEERN N#Cc1ccc(NC2CC(CO)C2)c(Br)c1 ZINC000596567570 349943897 /nfs/dbraw/zinc/94/38/97/349943897.db2.gz IPGDAWYIVFOQII-UHFFFAOYSA-N 0 0 281.153 2.504 10 30 CFEERN N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1 ZINC000007323187 346217532 /nfs/dbraw/zinc/21/75/32/346217532.db2.gz RMTJRVKTEYUVPG-UHFFFAOYSA-N 0 0 272.329 2.500 10 30 CFEERN COc1ccc(CC(=O)N(O)CCc2ccccc2)cc1 ZINC000029488669 346281469 /nfs/dbraw/zinc/28/14/69/346281469.db2.gz OCYOUELRMDYLBX-UHFFFAOYSA-N 0 0 285.343 2.698 10 30 CFEERN O=C(C=C=CCOCc1ccccc1)C(F)(F)F ZINC000034398445 346316734 /nfs/dbraw/zinc/31/67/34/346316734.db2.gz XWIDLTXOZJUWEP-UHFFFAOYSA-N 0 0 256.223 2.728 10 30 CFEERN COc1ccc([C@H](O)C#Cc2ccc(F)cc2)cc1 ZINC000034396104 346316814 /nfs/dbraw/zinc/31/68/14/346316814.db2.gz MHOHQGBZUCAPAO-MRXNPFEDSA-N 0 0 256.276 2.919 10 30 CFEERN Fc1ccc(Br)cc1NC1=NCCS1 ZINC000036752821 346323699 /nfs/dbraw/zinc/32/36/99/346323699.db2.gz WWGXGWVDPRRXJS-UHFFFAOYSA-N 0 0 275.146 2.912 10 30 CFEERN Cc1cccc(S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000039167903 346341280 /nfs/dbraw/zinc/34/12/80/346341280.db2.gz WYVYQGYLFSEAIB-UHFFFAOYSA-N 0 0 275.304 2.839 10 30 CFEERN N#Cc1c(OCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000039193692 346341630 /nfs/dbraw/zinc/34/16/30/346341630.db2.gz HDXBPETWUWPDDU-UHFFFAOYSA-N 0 0 284.271 2.924 10 30 CFEERN N#CC(=NNc1ccc(Cl)c(Cl)c1)C(N)=S ZINC000100056854 185703298 /nfs/dbraw/zinc/70/32/98/185703298.db2.gz GGZKJQJQNJBARN-OVCLIPMQSA-N 0 0 273.148 2.571 10 30 CFEERN CCC(C#N)(CC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000051987859 346509415 /nfs/dbraw/zinc/50/94/15/346509415.db2.gz RZDYBOPCZRTUEJ-ZDUSSCGKSA-N 0 0 272.348 2.956 10 30 CFEERN O=C[C@@H]1CCCN(Cc2csc(Br)c2)C1 ZINC000054217958 346562962 /nfs/dbraw/zinc/56/29/62/346562962.db2.gz RCWRSJVINXPPLN-SECBINFHSA-N 0 0 288.210 2.922 10 30 CFEERN O=S(=O)(OC1CCCCC1)OC1CCCCC1 ZINC000059124857 346655865 /nfs/dbraw/zinc/65/58/65/346655865.db2.gz RNMJTINNUPOKED-UHFFFAOYSA-N 0 0 262.371 2.930 10 30 CFEERN N#Cc1ccc(NCCCCn2cnnc2)cc1Cl ZINC000078509869 347258949 /nfs/dbraw/zinc/25/89/49/347258949.db2.gz UZKPFZVLRQATFR-UHFFFAOYSA-N 0 0 275.743 2.695 10 30 CFEERN SCc1nc(-c2cc(Br)cs2)no1 ZINC000725243890 539557335 /nfs/dbraw/zinc/55/73/35/539557335.db2.gz CIEYNBDHZCHTAH-UHFFFAOYSA-N 0 0 277.168 2.990 10 30 CFEERN CC[C@@H](Nc1snc(Cl)c1C#N)c1nnc(C)[nH]1 ZINC000092664607 347638314 /nfs/dbraw/zinc/63/83/14/347638314.db2.gz SLPKNCWUHQPESU-SSDOTTSWSA-N 0 0 282.760 2.658 10 30 CFEERN Cc1cc(C#N)cc(C)c1OC[C@H]1COC(C)(C)O1 ZINC000113877101 347769170 /nfs/dbraw/zinc/76/91/70/347769170.db2.gz LSPYJBVBIYDARG-ZDUSSCGKSA-N 0 0 261.321 2.705 10 30 CFEERN OCCC#Cc1ccc2c(c1)CCc1cc(O)ccc1-2 ZINC000114584354 347774230 /nfs/dbraw/zinc/77/42/30/347774230.db2.gz XXAKAKCXMRNOAU-UHFFFAOYSA-N 0 0 264.324 2.892 10 30 CFEERN CC(C)(C)Nc1cc(-c2ccc(C#N)c(F)c2)nc(N)n1 ZINC000115841304 347782302 /nfs/dbraw/zinc/78/23/02/347782302.db2.gz FUKGTJKOGCHZSR-UHFFFAOYSA-N 0 0 285.326 2.947 10 30 CFEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000111275858 347752942 /nfs/dbraw/zinc/75/29/42/347752942.db2.gz VGPLKUSIPRJCHF-VIFPVBQESA-N 0 0 257.318 2.506 10 30 CFEERN C[C@@](C#N)([C@H]1CCCC(=O)C1)S(=O)(=O)c1ccccc1 ZINC000117941132 347795283 /nfs/dbraw/zinc/79/52/83/347795283.db2.gz HLHAZGAQVCIUAJ-SWLSCSKDSA-N 0 0 291.372 2.502 10 30 CFEERN COc1cc(C(C)C)c(OCC#N)cc1[N+](=O)[O-] ZINC000116343648 347787126 /nfs/dbraw/zinc/78/71/26/347787126.db2.gz WAPGWFHIBZTHSB-UHFFFAOYSA-N 0 0 250.254 2.629 10 30 CFEERN OCC(F)(F)[C@H](F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000117018788 347790295 /nfs/dbraw/zinc/79/02/95/347790295.db2.gz PUKKRYWSWBRAIN-UWTATZPHSA-N 0 0 298.076 2.717 10 30 CFEERN C#C[C@@H](NC)c1c(F)cc(Br)cc1F ZINC000130254375 347868842 /nfs/dbraw/zinc/86/88/42/347868842.db2.gz LKMAERBIINTAOF-SECBINFHSA-N 0 0 260.081 2.621 10 30 CFEERN CCOC(C#CC[C@H](O)c1ccc(F)cc1)OCC ZINC000725254023 539583900 /nfs/dbraw/zinc/58/39/00/539583900.db2.gz ASMNXDGUIFGPJM-AWEZNQCLSA-N 0 0 266.312 2.652 10 30 CFEERN Cc1cc(C(=O)C(C#N)C#N)ccc1Br ZINC000132073627 347882811 /nfs/dbraw/zinc/88/28/11/347882811.db2.gz OHKJSOISPQKETM-UHFFFAOYSA-N 0 0 263.094 2.604 10 30 CFEERN CCCCCCCC(=O)NC(=O)c1ccnc([N+](=O)[O-])c1 ZINC000137551755 347914096 /nfs/dbraw/zinc/91/40/96/347914096.db2.gz SWRWCNZYCOGCIY-UHFFFAOYSA-N 0 0 293.323 2.607 10 30 CFEERN CCOC(=O)c1nc(-c2cc(F)cc(C#N)c2)cs1 ZINC000149979502 347954227 /nfs/dbraw/zinc/95/42/27/347954227.db2.gz OORSBYHTSONQJE-UHFFFAOYSA-N 0 0 276.292 2.998 10 30 CFEERN CC(C)Oc1ccc([C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000144518893 347941570 /nfs/dbraw/zinc/94/15/70/347941570.db2.gz VRALZPNNDNQPQH-INIZCTEOSA-N 0 0 268.316 2.822 10 30 CFEERN CC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000086780305 179329640 /nfs/dbraw/zinc/32/96/40/179329640.db2.gz ZLVFRIMMZNZQAA-LRDDRELGSA-N 0 0 272.348 2.806 10 30 CFEERN N#C[C@@H]1CCOc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000147906108 347948775 /nfs/dbraw/zinc/94/87/75/347948775.db2.gz CTJDZYPGGFGWCK-LBPRGKRZSA-N 0 0 299.351 2.909 10 30 CFEERN CN[C@H](C#N)c1ccc(Br)cc1Cl ZINC000161030288 348022843 /nfs/dbraw/zinc/02/28/43/348022843.db2.gz RAXJGANWWNTUMO-SECBINFHSA-N 0 0 259.534 2.887 10 30 CFEERN Cc1cc(-n2cccc2C#N)ncc1Br ZINC000166212398 348041487 /nfs/dbraw/zinc/04/14/87/348041487.db2.gz JCMWTOZZBTZYSL-UHFFFAOYSA-N 0 0 262.110 2.815 10 30 CFEERN CC(C)(C)OC(=O)NCC#C[C@H]1CCc2ccc(N)cc21 ZINC000167998067 348047375 /nfs/dbraw/zinc/04/73/75/348047375.db2.gz PPADGSTUJNBNPP-LBPRGKRZSA-N 0 0 286.375 2.827 10 30 CFEERN C=C(Br)CNc1cc(OC)ccc1N ZINC000168191363 348047783 /nfs/dbraw/zinc/04/77/83/348047783.db2.gz DUALDBPVADKVAT-UHFFFAOYSA-N 0 0 257.131 2.598 10 30 CFEERN COc1ccc(/C=[N+](\[O-])c2ccccc2)c(OC)c1 ZINC000225421450 348177404 /nfs/dbraw/zinc/17/74/04/348177404.db2.gz VZENQGTXRIHNBR-WJDWOHSUSA-N 0 0 258.297 2.856 10 30 CFEERN CC[C@@](C)(/C(N)=N/O)c1ccc(Br)cc1 ZINC000220860551 348170194 /nfs/dbraw/zinc/17/01/94/348170194.db2.gz JATQCBMCLUUEDX-LLVKDONJSA-N 0 0 271.158 2.863 10 30 CFEERN N#Cc1c(CN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000221486036 348171878 /nfs/dbraw/zinc/17/18/78/348171878.db2.gz GNYPDOWBZBLSGH-UHFFFAOYSA-N 0 0 259.309 2.842 10 30 CFEERN C[C@H](C#N)C(=O)c1cccc(Br)c1F ZINC000235421423 348227152 /nfs/dbraw/zinc/22/71/52/348227152.db2.gz QEGRBXOUINIIMV-ZCFIWIBFSA-N 0 0 256.074 2.931 10 30 CFEERN CN[C@H](C#N)c1cc(Br)ccc1Cl ZINC000234449843 348220373 /nfs/dbraw/zinc/22/03/73/348220373.db2.gz LVCVYSSMPROZJP-SECBINFHSA-N 0 0 259.534 2.887 10 30 CFEERN C#CCCC(=O)c1cc(N)ccc1Br ZINC000226805060 348184702 /nfs/dbraw/zinc/18/47/02/348184702.db2.gz VXIKXKDOQIWRCB-UHFFFAOYSA-N 0 0 252.111 2.627 10 30 CFEERN C#CC(=O)Nc1c(Cl)cc(F)cc1Br ZINC000232171481 348210928 /nfs/dbraw/zinc/21/09/28/348210928.db2.gz LYSOBDYISZEXQW-UHFFFAOYSA-N 0 0 276.492 2.813 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(Br)cn1 ZINC000238528222 348246680 /nfs/dbraw/zinc/24/66/80/348246680.db2.gz UQLOVGZHFCBUHF-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#CCc1cc(Br)nc(OC(F)(F)F)c1 ZINC000238528034 348246691 /nfs/dbraw/zinc/24/66/91/348246691.db2.gz NUEWWTZVQBDBSV-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1cc(OC(F)(F)F)cnc1Br ZINC000238539372 348247111 /nfs/dbraw/zinc/24/71/11/348247111.db2.gz JJZFLIWBGZWOKW-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN C#C[C@H](C)Oc1ncc(Br)cc1Cl ZINC000235536012 348227844 /nfs/dbraw/zinc/22/78/44/348227844.db2.gz HRFAOFFBDZGCIV-LURJTMIESA-N 0 0 260.518 2.898 10 30 CFEERN Cc1nc(-n2cccc2C#N)ccc1Br ZINC000235963784 348231095 /nfs/dbraw/zinc/23/10/95/348231095.db2.gz CDCJWYODEXGORG-UHFFFAOYSA-N 0 0 262.110 2.815 10 30 CFEERN O=C(CCS)Nc1cc(Br)ccc1F ZINC000236141518 348231789 /nfs/dbraw/zinc/23/17/89/348231789.db2.gz XORGLSLZIWJPPP-UHFFFAOYSA-N 0 0 278.146 2.847 10 30 CFEERN O=C(CCS)Nc1ccc(F)cc1Br ZINC000236194001 348231824 /nfs/dbraw/zinc/23/18/24/348231824.db2.gz ZSFXORDKRHYJTQ-UHFFFAOYSA-N 0 0 278.146 2.847 10 30 CFEERN C[C@@H](CC#N)N(C)c1cc(OC(F)F)c(F)cc1N ZINC000104125190 185899248 /nfs/dbraw/zinc/89/92/48/185899248.db2.gz DJPYWWQUJNWVRZ-ZETCQYMHSA-N 0 0 273.258 2.748 10 30 CFEERN CC/C=C\C#CC(=O)c1ccc(/C=C/C(=O)OC)o1 ZINC000004642621 290851928 /nfs/dbraw/zinc/85/19/28/290851928.db2.gz NQZCQIDFBYCBAU-JHGYFVHDSA-N 0 0 258.273 2.618 10 30 biogenic,in-vitro CFEERN COc1c(/C=C\C(=O)c2ccc(O)cc2)ccc(O)c1O ZINC000032049982 290854770 /nfs/dbraw/zinc/85/47/70/290854770.db2.gz DRDRYGIIYOPBBZ-YWEYNIOJSA-N 0 0 286.283 2.708 10 30 biogenic,in-vitro CFEERN C#C[C@@H](Nc1ccc(Br)cn1)C(C)C ZINC000300915256 348370618 /nfs/dbraw/zinc/37/06/18/348370618.db2.gz MIMKEKQUKKFCIR-SNVBAGLBSA-N 0 0 253.143 2.914 10 30 CFEERN N#Cc1c(N)cc(C(F)(F)F)cc1Br ZINC000307111602 348395903 /nfs/dbraw/zinc/39/59/03/348395903.db2.gz NOAYFBUABIRUIH-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN COCCCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000317305961 348433104 /nfs/dbraw/zinc/43/31/04/348433104.db2.gz XXMDWWOQMJVDCV-UHFFFAOYSA-N 0 0 285.384 2.629 10 30 CFEERN N#Cc1c(N)cc(Br)cc1Br ZINC000514260784 348639976 /nfs/dbraw/zinc/63/99/76/348639976.db2.gz CYKGZHVCPFWKFH-UHFFFAOYSA-N 0 0 275.931 2.665 10 30 CFEERN C[C@@H]1C[C@H]1C(=O)Nc1cnc(-c2ccc(C#N)c(F)c2)cn1 ZINC000584602031 348685520 /nfs/dbraw/zinc/68/55/20/348685520.db2.gz OIGJHJJQNSBGIJ-BXKDBHETSA-N 0 0 296.305 2.749 10 30 CFEERN C#C[C@](OC(C)=O)(c1ccc(F)cc1)C1(C#N)CC1 ZINC000584603379 348686412 /nfs/dbraw/zinc/68/64/12/348686412.db2.gz RPVGACOJFVXPHW-HNNXBMFYSA-N 0 0 257.264 2.521 10 30 CFEERN O=C1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2C=CC2=CC(=O)C=C[C@@H]21 ZINC000584604682 348687330 /nfs/dbraw/zinc/68/73/30/348687330.db2.gz FYSNXJKKMVLGAG-OTJKEOIZSA-N 0 0 254.329 2.859 10 30 CFEERN COC(=O)[C@H](Cc1ccccc1)/N=C/c1ccc(O)cc1 ZINC000584605863 348688065 /nfs/dbraw/zinc/68/80/65/348688065.db2.gz IJQAJNSQBRWUJQ-IQFISFIMSA-N 0 0 283.327 2.595 10 30 CFEERN CC(=O)O/N=C(\C)c1cccc(Br)c1 ZINC000584609763 348688710 /nfs/dbraw/zinc/68/87/10/348688710.db2.gz ZYEHNYAOVPMKAR-KPKJPENVSA-N 0 0 256.099 2.736 10 30 CFEERN C#C[C@H](CO)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000584614936 348690679 /nfs/dbraw/zinc/69/06/79/348690679.db2.gz UEWJECZSDIOHBX-RHSMWYFYSA-N 0 0 258.361 2.696 10 30 CFEERN C=CCN1C(=O)C[C@@]2(CCC[C@H](C(F)(F)F)C2)C1=O ZINC000584624898 348693462 /nfs/dbraw/zinc/69/34/62/348693462.db2.gz LBILTNOKJWLSGE-CABZTGNLSA-N 0 0 275.270 2.670 10 30 CFEERN O=C1C=C[C@@H](O)O[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000584625887 348693947 /nfs/dbraw/zinc/69/39/47/348693947.db2.gz YQFUWVAEGUYPPQ-ZWKOTPCHSA-N 0 0 296.322 2.781 10 30 CFEERN Cc1ccc(N)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1 ZINC000584633319 348696607 /nfs/dbraw/zinc/69/66/07/348696607.db2.gz BQPITBOSWUJPSX-UHFFFAOYSA-N 0 0 289.342 2.911 10 30 CFEERN C=C[C@@]1(c2cccc(Br)c2)COC(=O)O1 ZINC000584633438 348696654 /nfs/dbraw/zinc/69/66/54/348696654.db2.gz IYYCHUUUJNKNNH-NSHDSACASA-N 0 0 269.094 2.997 10 30 CFEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cncc(F)c1 ZINC000584633967 348697309 /nfs/dbraw/zinc/69/73/09/348697309.db2.gz TYGXPPFUODIBRC-JKSUJKDBSA-N 0 0 270.307 2.994 10 30 CFEERN N#C[C@@H](c1ccccc1F)[C@@H](CCO)c1cnco1 ZINC000584638478 348699708 /nfs/dbraw/zinc/69/97/08/348699708.db2.gz DBGDLHVPDFWDRP-NEPJUHHUSA-N 0 0 260.268 2.587 10 30 CFEERN N#C[C@@H](c1cnco1)[C@@H](CCO)c1c(F)cccc1F ZINC000584638648 348699882 /nfs/dbraw/zinc/69/98/82/348699882.db2.gz SKVVXZHRZXYURY-NXEZZACHSA-N 0 0 278.258 2.726 10 30 CFEERN CCn1nc(C[C@@]2(C#N)CCCC2=O)c2ccccc21 ZINC000089180446 179744771 /nfs/dbraw/zinc/74/47/71/179744771.db2.gz AFQCFSGNGGSEEG-MRXNPFEDSA-N 0 0 267.332 2.862 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2ccncc21 ZINC000592772496 349165153 /nfs/dbraw/zinc/16/51/53/349165153.db2.gz LACUVMCJPPAERC-DOMZBBRYSA-N 0 0 265.316 2.657 10 30 CFEERN COCCCSCCC[C@](C)(C#N)NC(C)C ZINC000104443074 186004171 /nfs/dbraw/zinc/00/41/71/186004171.db2.gz ZGEVTDUNQFNGLQ-CYBMUJFWSA-N 0 0 258.431 2.817 10 30 CFEERN N#CC[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104447358 186004996 /nfs/dbraw/zinc/00/49/96/186004996.db2.gz FTOXAJZRGFHICT-QXULXFAOSA-N 0 0 256.349 2.629 10 30 CFEERN Cc1cc(C)c(C#N)c(N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000108946220 186236310 /nfs/dbraw/zinc/23/63/10/186236310.db2.gz LXJKXDXZWKCEOX-HNNXBMFYSA-N 0 0 281.363 2.645 10 30 CFEERN N#CC1(CO)CC(Cc2ccc(Br)cc2)C1 ZINC000606302183 351261331 /nfs/dbraw/zinc/26/13/31/351261331.db2.gz GWOFSMNASYTTEY-UHFFFAOYSA-N 0 0 280.165 2.904 10 30 CFEERN Cc1ccc(CCC(=O)N[C@H](C)C#N)cc1Cl ZINC000604489740 351214694 /nfs/dbraw/zinc/21/46/94/351214694.db2.gz MTWZRTJYVSGNOF-SNVBAGLBSA-N 0 0 250.729 2.609 10 30 CFEERN Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000610496947 351572484 /nfs/dbraw/zinc/57/24/84/351572484.db2.gz CZLMMEHDRDMDDX-DGCLKSJQSA-N 0 0 292.766 2.836 10 30 CFEERN N#Cc1ccc([C@H]2CCN(C(N)=O)c3ccccc32)cc1 ZINC000616588220 352376097 /nfs/dbraw/zinc/37/60/97/352376097.db2.gz KSNRLVCTZKRPDT-CQSZACIVSA-N 0 0 277.327 2.979 10 30 CFEERN N#Cc1ccccc1[C@H]1CCN(C(N)=O)c2ccccc21 ZINC000616589603 352377081 /nfs/dbraw/zinc/37/70/81/352377081.db2.gz RWWLMYQCIOYFMJ-CQSZACIVSA-N 0 0 277.327 2.979 10 30 CFEERN N#Cc1ccc([C@@H]2CCN(C(N)=O)c3ccccc32)cc1 ZINC000616674623 352408372 /nfs/dbraw/zinc/40/83/72/352408372.db2.gz KSNRLVCTZKRPDT-AWEZNQCLSA-N 0 0 277.327 2.979 10 30 CFEERN N#Cc1ccc([C@@H]2CN(CCO)c3ccccc3N2)cc1 ZINC000616681596 352411227 /nfs/dbraw/zinc/41/12/27/352411227.db2.gz QUDJBCOKYWEYPQ-INIZCTEOSA-N 0 0 279.343 2.524 10 30 CFEERN N#Cc1ccccc1[C@@H]1CNc2ccccc2N1CCO ZINC000616683445 352411714 /nfs/dbraw/zinc/41/17/14/352411714.db2.gz GYZWGRNGEUPJSL-KRWDZBQOSA-N 0 0 279.343 2.524 10 30 CFEERN N#Cc1ccc([C@@H]2CN(C(N)=O)c3ccccc3N2)cc1 ZINC000616693730 352415563 /nfs/dbraw/zinc/41/55/63/352415563.db2.gz XAEOZRSQQIHDSY-AWEZNQCLSA-N 0 0 278.315 2.610 10 30 CFEERN CC(C)[C@H](C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000152860255 188049555 /nfs/dbraw/zinc/04/95/55/188049555.db2.gz RNRFVHCQTOVPSU-QMMMGPOBSA-N 0 0 252.264 2.611 10 30 CFEERN Cc1nc(N[C@@H]2CCCC[C@@H]2CO)c(Cl)cc1C#N ZINC000292581670 198340253 /nfs/dbraw/zinc/34/02/53/198340253.db2.gz LAPFIACUSOVHDK-ZWNOBZJWSA-N 0 0 279.771 2.878 10 30 CFEERN C[C@H]1OCC[C@H]1Nc1cccc(Br)c1C#N ZINC000165002833 188628905 /nfs/dbraw/zinc/62/89/05/188628905.db2.gz RVKUCSZZXDVCCS-LDYMZIIASA-N 0 0 281.153 2.910 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000245831798 540040159 /nfs/dbraw/zinc/04/01/59/540040159.db2.gz BUXCKNSPHIJPFB-IHRRRGAJSA-N 0 0 268.401 2.582 10 30 CFEERN N#Cc1cc2cnn(-c3ccccc3)c2nc1Cl ZINC000040543752 283118172 /nfs/dbraw/zinc/11/81/72/283118172.db2.gz OFWCZTIRZQJQCT-UHFFFAOYSA-N 0 0 254.680 2.946 10 30 CFEERN N#Cc1ccc(N2CCn3ccnc3C2)cc1C(F)(F)F ZINC000062255471 283170848 /nfs/dbraw/zinc/17/08/48/283170848.db2.gz LKYYJZFIKGZSQQ-UHFFFAOYSA-N 0 0 292.264 2.794 10 30 CFEERN N#Cc1cnc(-c2ccc(Br)cc2)nc1 ZINC000035323077 283228920 /nfs/dbraw/zinc/22/89/20/283228920.db2.gz JRFAYWGXPBSPLE-UHFFFAOYSA-N 0 0 260.094 2.778 10 30 CFEERN NC(=O)[C@@]1(c2ccccn2)O[C@@H]1c1cccc2ccccc21 ZINC000000162572 283340900 /nfs/dbraw/zinc/34/09/00/283340900.db2.gz XXMRRXBBQWOURU-AEFFLSMTSA-N 0 0 290.322 2.687 10 30 CFEERN C=CC[C@H](C)NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000176863225 189012458 /nfs/dbraw/zinc/01/24/58/189012458.db2.gz YGOKTBXEHYHWRZ-KBPBESRZSA-N 0 0 276.380 2.856 10 30 CFEERN CC(C)n1ccnc1C[S@](=O)Cc1ccc(C#N)cc1 ZINC000176879562 189012960 /nfs/dbraw/zinc/01/29/60/189012960.db2.gz JYFWWAVUQPMVBL-HXUWFJFHSA-N 0 0 287.388 2.785 10 30 CFEERN C=C(Br)CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000177046640 189023761 /nfs/dbraw/zinc/02/37/61/189023761.db2.gz ASRPAOFAFXVJAC-VIFPVBQESA-N 0 0 278.190 2.557 10 30 CFEERN C=C(Br)CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000177046656 189023849 /nfs/dbraw/zinc/02/38/49/189023849.db2.gz ASRPAOFAFXVJAC-SECBINFHSA-N 0 0 278.190 2.557 10 30 CFEERN N#Cc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)nc1 ZINC000298788620 200534477 /nfs/dbraw/zinc/53/44/77/200534477.db2.gz RUVYPIJIGZDONO-JTQLQIEISA-N 0 0 265.263 2.717 10 30 CFEERN C#CCCCCC(=O)N[C@H](C)COCc1ccccc1 ZINC000179948899 189228929 /nfs/dbraw/zinc/22/89/29/189228929.db2.gz ZVOUIBQSMYDVLD-OAHLLOKOSA-N 0 0 273.376 2.902 10 30 CFEERN N#Cc1nccnc1NCc1ccnc2ccccc12 ZINC000301527663 201047677 /nfs/dbraw/zinc/04/76/77/201047677.db2.gz JTPVVUDNWGDTJK-UHFFFAOYSA-N 0 0 261.288 2.509 10 30 CFEERN CO[C@@H](C)c1nc(CN(C)c2cccc(C#N)n2)cs1 ZINC000301552677 201065144 /nfs/dbraw/zinc/06/51/44/201065144.db2.gz MQGLNXUIPFQUPM-JTQLQIEISA-N 0 0 288.376 2.754 10 30 CFEERN Cc1n[nH]c(C)c1CNc1cc(C)nc(C)c1C#N ZINC000301793522 201202011 /nfs/dbraw/zinc/20/20/11/201202011.db2.gz RTNWQBAKQCBPLI-UHFFFAOYSA-N 0 0 255.325 2.522 10 30 CFEERN N#Cc1cc(F)c(N(CCO)Cc2ccsc2)c(F)c1 ZINC000301842532 201227325 /nfs/dbraw/zinc/22/73/25/201227325.db2.gz QIJGKIJLCHGSTJ-UHFFFAOYSA-N 0 0 294.326 2.897 10 30 CFEERN CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1c1ccccc1 ZINC000301922930 201265914 /nfs/dbraw/zinc/26/59/14/201265914.db2.gz GGEXYEYVGAPNBN-HNNXBMFYSA-N 0 0 278.359 2.978 10 30 CFEERN N#Cc1ccc(NCCc2c(F)cccc2Cl)nn1 ZINC000301954629 201276362 /nfs/dbraw/zinc/27/63/62/201276362.db2.gz KIFJDPAEPOHLDL-UHFFFAOYSA-N 0 0 276.702 2.795 10 30 CFEERN CC(=O)c1ccc(C#N)cc1NC[C@H](O)C(C)(C)C ZINC000302091507 201340148 /nfs/dbraw/zinc/34/01/48/201340148.db2.gz HCOYRHSBNMBVJP-AWEZNQCLSA-N 0 0 260.337 2.580 10 30 CFEERN CC1(CCNc2c(C#N)cnc3ccccc32)OCCO1 ZINC000302137839 201360059 /nfs/dbraw/zinc/36/00/59/201360059.db2.gz CDAMPDDNDDXZBF-UHFFFAOYSA-N 0 0 283.331 2.671 10 30 CFEERN C[C@@H](NC(=O)CS)C12CC3CC(CC(C3)C1)C2 ZINC000095082643 296050624 /nfs/dbraw/zinc/05/06/24/296050624.db2.gz ZDHSCURCSGUPSS-GVDDXCRBSA-N 0 0 253.411 2.637 10 30 CFEERN CC(C)=CC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961228 541476137 /nfs/dbraw/zinc/47/61/37/541476137.db2.gz DIAFZVRGFXCVDQ-GHMZBOCLSA-N 0 0 253.342 2.683 10 30 CFEERN CC(C)=CC(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961229 541476149 /nfs/dbraw/zinc/47/61/49/541476149.db2.gz DIAFZVRGFXCVDQ-MNOVXSKESA-N 0 0 253.342 2.683 10 30 CFEERN C=CC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685958954 541472878 /nfs/dbraw/zinc/47/28/78/541472878.db2.gz GIUNOKLZOUVAIN-YGRLFVJLSA-N 0 0 253.342 2.635 10 30 CFEERN C/C=C/C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000685958875 541473030 /nfs/dbraw/zinc/47/30/30/541473030.db2.gz DSTFCAGWAXMOKB-AATRIKPKSA-N 0 0 253.342 2.921 10 30 CFEERN C/C=C/C(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000685959299 541473358 /nfs/dbraw/zinc/47/33/58/541473358.db2.gz RAQMOWXNTFRFAM-IZPAUZPXSA-N 0 0 253.342 2.921 10 30 CFEERN C/C=C/C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000685959309 541473488 /nfs/dbraw/zinc/47/34/88/541473488.db2.gz RNTZTXJTLGAYAX-ZRQQLDRUSA-N 0 0 253.342 2.779 10 30 CFEERN C=CCC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000685959182 541473656 /nfs/dbraw/zinc/47/36/56/541473656.db2.gz NRLWNCDGEGZWTB-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C/C=C/C(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000685959178 541473725 /nfs/dbraw/zinc/47/37/25/541473725.db2.gz NGLNXCJGURRYQB-AATRIKPKSA-N 0 0 253.342 2.779 10 30 CFEERN Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302751017 201541327 /nfs/dbraw/zinc/54/13/27/201541327.db2.gz VHCFUNRMKPDWCC-UHFFFAOYSA-N 0 0 282.303 2.806 10 30 CFEERN Cc1ccc(NC(=S)N/N=C/c2cccnc2)cc1 ZINC000000498195 371631717 /nfs/dbraw/zinc/63/17/17/371631717.db2.gz GAJBXBSAAYCREN-MHWRWJLKSA-N 0 0 270.361 2.711 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2ccccc2)c(O)c1 ZINC000013559607 372032668 /nfs/dbraw/zinc/03/26/68/372032668.db2.gz XRZHCICQICNYCB-UHFFFAOYSA-N 0 0 253.261 2.908 10 30 in-vivo CFEERN N#Cc1cc(O)ccc1-c1noc2cc(O)ccc21 ZINC000013583545 372034300 /nfs/dbraw/zinc/03/43/00/372034300.db2.gz UYWKBSCMVNKPTK-UHFFFAOYSA-N 0 0 252.229 2.778 10 30 CFEERN CCOC(=O)CC(F)(F)C(=O)/C=C/c1ccccc1 ZINC000013861264 372052154 /nfs/dbraw/zinc/05/21/54/372052154.db2.gz SLNJJJAWOHJKTO-CMDGGOBGSA-N 0 0 268.259 2.857 10 30 CFEERN CNC(=S)N/N=C\C(Br)=C\c1ccccc1 ZINC000033374239 372493137 /nfs/dbraw/zinc/49/31/37/372493137.db2.gz HFOZUYLTKSHTPO-WCZATXKWSA-N 0 0 298.209 2.502 10 30 CFEERN C[C@H](C#N)C(=O)c1cccc(I)c1 ZINC000034975729 372522871 /nfs/dbraw/zinc/52/28/71/372522871.db2.gz ANDJPAZATDSXEC-SSDOTTSWSA-N 0 0 285.084 2.634 10 30 CFEERN C=C(Br)CNc1ccc2c(c1)OCO2 ZINC000037681150 372690423 /nfs/dbraw/zinc/69/04/23/372690423.db2.gz NVYIDEQEXORJIS-UHFFFAOYSA-N 0 0 256.099 2.736 10 30 CFEERN O=C(CCS)Nc1ccc(Br)cc1 ZINC000041570424 372849811 /nfs/dbraw/zinc/84/98/11/372849811.db2.gz OCMDKNRTTWAHLD-UHFFFAOYSA-N 0 0 260.156 2.708 10 30 CFEERN C[C@@H](NC(=O)[C@@H](C)C#N)c1cccc(Br)c1 ZINC000044825986 373010515 /nfs/dbraw/zinc/01/05/15/373010515.db2.gz IGSWWTVAYOVCAP-DTWKUNHWSA-N 0 0 281.153 2.786 10 30 CFEERN N#CC1(C(=O)N[C@H]2CCCc3ccccc32)CCOCC1 ZINC000051632489 373403057 /nfs/dbraw/zinc/40/30/57/373403057.db2.gz REPVHFVHFHARSU-HNNXBMFYSA-N 0 0 284.359 2.501 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2ccccc2o1 ZINC000061888686 373734457 /nfs/dbraw/zinc/73/44/57/373734457.db2.gz NPDDVYQQMSBBDA-RYUDHWBXSA-N 0 0 254.289 2.855 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000061889403 373736288 /nfs/dbraw/zinc/73/62/88/373736288.db2.gz RCTHEIQNBNFMDT-LDYMZIIASA-N 0 0 265.263 2.779 10 30 CFEERN N#Cc1ccccc1-c1ccc([C@@H]2NCCc3nc[nH]c32)o1 ZINC000065533236 373884466 /nfs/dbraw/zinc/88/44/66/373884466.db2.gz LPYCVHDJVOSFEU-KRWDZBQOSA-N 0 0 290.326 2.776 10 30 CFEERN C[C@@H]1COCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000071914497 374232497 /nfs/dbraw/zinc/23/24/97/374232497.db2.gz PPHLFQJYSWEXJN-SNVBAGLBSA-N 0 0 287.750 2.985 10 30 CFEERN Cc1ccccc1/C=C1\SC(=O)N(CCC#N)C1=O ZINC000072414697 374248847 /nfs/dbraw/zinc/24/88/47/374248847.db2.gz RMYYRWBVQBBGLW-XFXZXTDPSA-N 0 0 272.329 2.945 10 30 CFEERN C=CCOC(=O)c1ccc(-c2ccc(OC)c(N)c2)o1 ZINC000073640385 374362176 /nfs/dbraw/zinc/36/21/76/374362176.db2.gz YPRYIFNGFLALBD-UHFFFAOYSA-N 0 0 273.288 2.880 10 30 CFEERN N#Cc1cccc(-n2sc3ccccc3c2=O)c1 ZINC000082313767 374733333 /nfs/dbraw/zinc/73/33/33/374733333.db2.gz RRZOBLUGIVLRRS-UHFFFAOYSA-N 0 0 252.298 2.924 10 30 CFEERN CC(C)(C)OC(=O)NC[C@@](C)(C=O)c1ccccc1 ZINC000098095991 375602131 /nfs/dbraw/zinc/60/21/31/375602131.db2.gz OXJWRDGHVBHHEL-HNNXBMFYSA-N 0 0 263.337 2.668 10 30 CFEERN N#Cc1cc(F)ccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000103141487 375717105 /nfs/dbraw/zinc/71/71/05/375717105.db2.gz KVFYRMCDJMFWQP-JKSUJKDBSA-N 0 0 274.339 2.841 10 30 CFEERN Cn1cc([C@H]2CCCN2c2ncc(C#N)cc2Cl)cn1 ZINC000108946096 375819048 /nfs/dbraw/zinc/81/90/48/375819048.db2.gz PPWCQNPBXVDUSM-CYBMUJFWSA-N 0 0 287.754 2.682 10 30 CFEERN CC(C)[C@H](O)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000118979852 376331499 /nfs/dbraw/zinc/33/14/99/376331499.db2.gz CJPMWEXPCAJUBW-HUUCEWRRSA-N 0 0 274.364 2.555 10 30 CFEERN CC(C)[C@@H](O)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000118980016 376331563 /nfs/dbraw/zinc/33/15/63/376331563.db2.gz CJPMWEXPCAJUBW-CABCVRRESA-N 0 0 274.364 2.555 10 30 CFEERN CC(C)[C@H](O)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000118979644 376331618 /nfs/dbraw/zinc/33/16/18/376331618.db2.gz CJPMWEXPCAJUBW-LSDHHAIUSA-N 0 0 274.364 2.555 10 30 CFEERN CC[C@@H](C#N)NC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000123822964 376984608 /nfs/dbraw/zinc/98/46/08/376984608.db2.gz ZJIYLPPCZPQUFT-VIFPVBQESA-N 0 0 288.738 2.762 10 30 CFEERN N#CC1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCCCC1 ZINC000124997858 377108193 /nfs/dbraw/zinc/10/81/93/377108193.db2.gz AOJFUWFMNDNVCI-UHFFFAOYSA-N 0 0 286.379 2.590 10 30 CFEERN C=CCCCCCN(C)Cc1nnc(C)n1CC ZINC000150888622 378278193 /nfs/dbraw/zinc/27/81/93/378278193.db2.gz CPQAKYLDDNTBDI-UHFFFAOYSA-N 0 0 250.390 2.785 10 30 CFEERN C=CCN1Cc2cc(Br)ccc2C1=O ZINC000144010630 378246452 /nfs/dbraw/zinc/24/64/52/378246452.db2.gz LXPCYARTXRSHMA-UHFFFAOYSA-N 0 0 252.111 2.591 10 30 CFEERN C=CCNC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000152754573 378444922 /nfs/dbraw/zinc/44/49/22/378444922.db2.gz BMTQJQFZFTYDHK-OLZOCXBDSA-N 0 0 266.385 2.552 10 30 CFEERN Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c(C#N)c(C)n1 ZINC000160391301 378768894 /nfs/dbraw/zinc/76/88/94/378768894.db2.gz WJSOHQRDQPFREQ-XJKSGUPXSA-N 0 0 271.364 2.940 10 30 CFEERN C=CCN(CCc1ccccc1)C(=O)N[C@H]1C[C@H]1C ZINC000170807892 379167634 /nfs/dbraw/zinc/16/76/34/379167634.db2.gz AZBALGFPUWLBNB-HIFRSBDPSA-N 0 0 258.365 2.835 10 30 CFEERN N#CC1CCN(C(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000335863969 380015611 /nfs/dbraw/zinc/01/56/11/380015611.db2.gz HLFLTAUIGBLYFG-CYBMUJFWSA-N 0 0 261.369 2.654 10 30 CFEERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(C#N)c1 ZINC000181881865 380927556 /nfs/dbraw/zinc/92/75/56/380927556.db2.gz SYMQBWHZCCLOIB-SWLSCSKDSA-N 0 0 295.390 2.898 10 30 CFEERN CC[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000402578433 380887887 /nfs/dbraw/zinc/88/78/87/380887887.db2.gz UZDNPVMAHUDDRZ-KXUCPTDWSA-N 0 0 262.275 2.773 10 30 CFEERN N#Cc1cnn(-c2cccc(Cl)c2Cl)c1N ZINC000000150153 169555277 /nfs/dbraw/zinc/55/52/77/169555277.db2.gz DZCJVPWQVLPDAS-UHFFFAOYSA-N 0 0 253.092 2.633 10 30 CFEERN C[C@@H](C#N)CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000182758683 381152472 /nfs/dbraw/zinc/15/24/72/381152472.db2.gz KIOWZKXXSRZWNT-WDEREUQCSA-N 0 0 278.381 2.539 10 30 CFEERN C=CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000359677813 381549526 /nfs/dbraw/zinc/54/95/26/381549526.db2.gz OLYAVACFOWGGLQ-GXTWGEPZSA-N 0 0 270.332 2.673 10 30 CFEERN CCn1cnnc1[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000299553963 381980917 /nfs/dbraw/zinc/98/09/17/381980917.db2.gz CTVHAAKPLPTXQL-CQSZACIVSA-N 0 0 281.363 2.554 10 30 CFEERN CCNC(=O)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000301226840 382110571 /nfs/dbraw/zinc/11/05/71/382110571.db2.gz FEJGDISMIOPRFT-LBPRGKRZSA-N 0 0 291.782 2.564 10 30 CFEERN C[C@H](CNc1cc(Cl)ccc1C#N)N1CCOC[C@@H]1C ZINC000301268971 382130463 /nfs/dbraw/zinc/13/04/63/382130463.db2.gz JAEXKKVLRRIHDC-NEPJUHHUSA-N 0 0 293.798 2.733 10 30 CFEERN N#Cc1cc(N)c(C(F)(F)F)cc1Br ZINC000306932751 382462349 /nfs/dbraw/zinc/46/23/49/382462349.db2.gz FEFVACLLHFIUBU-UHFFFAOYSA-N 0 0 265.032 2.922 10 30 CFEERN Fc1ccc(NC2=NCCS2)c(Br)c1 ZINC000020586493 184535905 /nfs/dbraw/zinc/53/59/05/184535905.db2.gz RBUUVAITGHJPDG-UHFFFAOYSA-N 0 0 275.146 2.912 10 30 CFEERN Cc1ccsc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328627707 382556650 /nfs/dbraw/zinc/55/66/50/382556650.db2.gz MYXVDVKGVSIPQW-LLVKDONJSA-N 0 0 275.377 2.820 10 30 CFEERN C[C@H](Nc1nc2c(cc1C#N)CCCC2)[C@H]1CCCO1 ZINC000043409433 184558893 /nfs/dbraw/zinc/55/88/93/184558893.db2.gz ACBAOYKDGPRXNK-XHDPSFHLSA-N 0 0 271.364 2.811 10 30 CFEERN C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191975080 382703946 /nfs/dbraw/zinc/70/39/46/382703946.db2.gz CESHTWZQLDUTII-QWHCGFSZSA-N 0 0 295.329 2.729 10 30 CFEERN N#Cc1cc(C(F)(F)F)ncc1OC(F)(F)F ZINC000575374402 382762072 /nfs/dbraw/zinc/76/20/72/382762072.db2.gz YHOVWXILGBLFJO-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1CC ZINC000575382368 382762874 /nfs/dbraw/zinc/76/28/74/382762874.db2.gz CKBRRZDJUJESOJ-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(Cl)c1OC(F)F ZINC000575382407 382762912 /nfs/dbraw/zinc/76/29/12/382762912.db2.gz JNESBSCRFDWXCA-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN COC(=O)Cc1ccc(OC(F)F)c(Cl)c1C#N ZINC000575382401 382763000 /nfs/dbraw/zinc/76/30/00/382763000.db2.gz JEMHYWODFFANDV-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN COC(=O)c1c(OC(F)(F)F)ccc(Cl)c1C#N ZINC000575382913 382763178 /nfs/dbraw/zinc/76/31/78/382763178.db2.gz RINQOIYSZFJGHQ-UHFFFAOYSA-N 0 0 279.601 2.897 10 30 CFEERN COC(=O)Cc1c(Cl)c(C#N)ccc1C(F)(F)F ZINC000575383237 382763401 /nfs/dbraw/zinc/76/34/01/382763401.db2.gz KQMRLMCIYOLMGL-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1c(C#N)ccc(OC(F)(F)F)c1Cl ZINC000575383417 382763447 /nfs/dbraw/zinc/76/34/47/382763447.db2.gz UQIBGBITXNNPAC-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(OC(F)(F)F)c1C#N ZINC000575383399 382763531 /nfs/dbraw/zinc/76/35/31/382763531.db2.gz STSAVHNXFOLXOT-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1Cl ZINC000575383385 382763547 /nfs/dbraw/zinc/76/35/47/382763547.db2.gz RWJHQGUVRUGQMT-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1cc(OC(F)F)c(C(F)F)cc1C#N ZINC000575385181 382763935 /nfs/dbraw/zinc/76/39/35/382763935.db2.gz AKXDZCXRCMTPQM-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)Cc1cc(C#N)c(OC(F)F)c(C(F)F)c1 ZINC000575385529 382764153 /nfs/dbraw/zinc/76/41/53/382764153.db2.gz YDHYRKVRKZCHQO-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN COC(=O)Cc1c(C#N)cc(OC(F)F)cc1C(F)F ZINC000575385419 382764177 /nfs/dbraw/zinc/76/41/77/382764177.db2.gz PMQHHFPTWLESRP-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCc1cc(OC(F)F)c(C#N)c(C(=O)OC)c1 ZINC000575385445 382764185 /nfs/dbraw/zinc/76/41/85/382764185.db2.gz RCBFSLGKJRHLFI-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCc1ccc(C#N)c(C(=O)OC)c1OC(F)F ZINC000575385465 382764233 /nfs/dbraw/zinc/76/42/33/382764233.db2.gz SKNZRWRJTKYENL-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)c1c(OC(F)F)ccc(C(F)F)c1C#N ZINC000575385502 382764298 /nfs/dbraw/zinc/76/42/98/382764298.db2.gz VZGCLVDLDRXPQE-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)c1c(CC)ccc(OC(F)F)c1C#N ZINC000575385430 382764356 /nfs/dbraw/zinc/76/43/56/382764356.db2.gz QFYWELNOVAUWHQ-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1OC(F)F ZINC000575386959 382764445 /nfs/dbraw/zinc/76/44/45/382764445.db2.gz RXLPNIPPJKRJDW-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1C ZINC000575388340 382764792 /nfs/dbraw/zinc/76/47/92/382764792.db2.gz DSEOJFSWSIBBIJ-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)c1c(C)c(C#N)ccc1OC(F)F ZINC000575388562 382764837 /nfs/dbraw/zinc/76/48/37/382764837.db2.gz MZDUKMZBVYLENI-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C#N)c(OC(F)F)c1 ZINC000575388259 382764857 /nfs/dbraw/zinc/76/48/57/382764857.db2.gz QANISWUUUYCHKP-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCc1cc(C(=O)OC)cc(C#N)c1OC(F)(F)F ZINC000575388888 382765166 /nfs/dbraw/zinc/76/51/66/382765166.db2.gz HWYMTUAZCGYAJX-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1C ZINC000575388833 382765225 /nfs/dbraw/zinc/76/52/25/382765225.db2.gz XJDNTCQSESNNSO-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1cc(C#N)c(C(F)(F)F)cc1C(=O)OC ZINC000575389248 382765593 /nfs/dbraw/zinc/76/55/93/382765593.db2.gz DCYGIQPOEIKDHS-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1cc(C(=O)OC)cc(C#N)c1C(F)(F)F ZINC000575389622 382765779 /nfs/dbraw/zinc/76/57/79/382765779.db2.gz NAONDYYGSIYNKM-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C#N)c(C(F)F)c1 ZINC000575389431 382765887 /nfs/dbraw/zinc/76/58/87/382765887.db2.gz HTJDRVRJZHHNSX-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C#N)cc1C(F)F ZINC000575389738 382766075 /nfs/dbraw/zinc/76/60/75/382766075.db2.gz OECXWZFRVGBOBM-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCc1cc(C(=O)OC)c(C(F)(F)F)cc1C#N ZINC000575390168 382766102 /nfs/dbraw/zinc/76/61/02/382766102.db2.gz YFFDMFUXIIOIDS-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1c(F)ccc(C#N)c1OC(F)(F)F ZINC000575390357 382766123 /nfs/dbraw/zinc/76/61/23/382766123.db2.gz DMJCUJIMEINIKT-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCc1c(C#N)c(C(=O)OC)ccc1C(F)(F)F ZINC000575390182 382766197 /nfs/dbraw/zinc/76/61/97/382766197.db2.gz ZCEKVGWZKBRJKK-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1cc(F)cc(C#N)c1OC(F)(F)F ZINC000575390414 382766202 /nfs/dbraw/zinc/76/62/02/382766202.db2.gz JVPALGZBZBXHAO-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(C(F)(F)F)c1F ZINC000575390546 382766304 /nfs/dbraw/zinc/76/63/04/382766304.db2.gz VZZVZYJFLVRMOK-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)Cc1c(F)cc(C#N)cc1OC(F)(F)F ZINC000575390495 382766310 /nfs/dbraw/zinc/76/63/10/382766310.db2.gz QDUSFZWODMVLNE-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1ccc(C(F)(F)F)c(F)c1C#N ZINC000575390516 382766353 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/nfs/dbraw/zinc/81/17/70/519811770.db2.gz SJUMVUNEWKZJFI-VIFPVBQESA-N 0 0 269.776 2.915 10 30 CFEERN CCOC(=O)[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000062785406 521213669 /nfs/dbraw/zinc/21/36/69/521213669.db2.gz AZLFWCYSOKLMRH-QMMMGPOBSA-N 0 0 252.701 2.575 10 30 CFEERN N#CCOc1ccc(NC(=O)CNc2ccccc2)cc1 ZINC000040807823 518196380 /nfs/dbraw/zinc/19/63/80/518196380.db2.gz DXZTVOQVCYTHPU-UHFFFAOYSA-N 0 0 281.315 2.640 10 30 CFEERN C=CCCC(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000049511049 518696993 /nfs/dbraw/zinc/69/69/93/518696993.db2.gz KGPDSVJLKLWRKQ-UHFFFAOYSA-N 0 0 298.386 2.886 10 30 CFEERN C=CCN[C@](C)(C(=O)OCC)c1ccc(Cl)cc1 ZINC000051962038 518961569 /nfs/dbraw/zinc/96/15/69/518961569.db2.gz OMVQFAFIRPJMHB-AWEZNQCLSA-N 0 0 267.756 2.894 10 30 CFEERN C=CCSCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182510526 519076007 /nfs/dbraw/zinc/07/60/07/519076007.db2.gz WGDGSNYPKSVFGQ-CYBMUJFWSA-N 0 0 294.424 2.566 10 30 CFEERN CC(C)c1nccn1Cc1cccc(C#CCCO)c1 ZINC000049619230 519880085 /nfs/dbraw/zinc/88/00/85/519880085.db2.gz BSHNDAXARZURAA-UHFFFAOYSA-N 0 0 268.360 2.789 10 30 CFEERN CCCNC(=O)[C@@H](C)Nc1ccc(C#N)cc1Cl ZINC000062791073 519888673 /nfs/dbraw/zinc/88/86/73/519888673.db2.gz LBYHORABZJYTDJ-SECBINFHSA-N 0 0 265.744 2.538 10 30 CFEERN CCCN[C@@H](C#N)CCN(C)c1ccc(CC)cc1 ZINC000062438336 519981492 /nfs/dbraw/zinc/98/14/92/519981492.db2.gz MKLXPPRACAVEGB-OAHLLOKOSA-N 0 0 259.397 2.967 10 30 CFEERN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000156424982 520140777 /nfs/dbraw/zinc/14/07/77/520140777.db2.gz DHSDCAVSUSMUMY-NHYWBVRUSA-N 0 0 287.363 2.886 10 30 CFEERN CCNc1ncccc1C(=O)Nc1ccccc1C#N ZINC000050728306 520375567 /nfs/dbraw/zinc/37/55/67/520375567.db2.gz VGVROPPESLSONJ-UHFFFAOYSA-N 0 0 266.304 2.637 10 30 CFEERN CCOc1ccc(C#N)cc1NCc1nnc(C2CC2)n1C ZINC000195002599 520869508 /nfs/dbraw/zinc/86/95/08/520869508.db2.gz BLPDECXXCNBAPH-UHFFFAOYSA-N 0 0 297.362 2.575 10 30 CFEERN CCCC[C@H](C)NC(=O)c1ccc(C#CCCO)s1 ZINC000050890980 521146808 /nfs/dbraw/zinc/14/68/08/521146808.db2.gz HXEWHPWZMSYKSJ-LBPRGKRZSA-N 0 0 279.405 2.791 10 30 CFEERN CCC(CC)C(=O)N[C@H](C)c1cccc(C#CCO)c1 ZINC000049588966 521501131 /nfs/dbraw/zinc/50/11/31/521501131.db2.gz QDMPRCXRAUDKBW-CYBMUJFWSA-N 0 0 273.376 2.644 10 30 CFEERN COC(=O)c1cc(NCc2cccc(C#N)c2)ccc1N ZINC000051668330 521894155 /nfs/dbraw/zinc/89/41/55/521894155.db2.gz CGGSOYFBQMHBBL-UHFFFAOYSA-N 0 0 281.315 2.539 10 30 CFEERN CNc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccn1 ZINC000050746618 522561255 /nfs/dbraw/zinc/56/12/55/522561255.db2.gz BWFJDGQJJFYBAN-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CN(Cc1ccc(F)c(C#CCCO)c1)CC(F)(F)F ZINC000049613459 523240045 /nfs/dbraw/zinc/24/00/45/523240045.db2.gz QHVWNKWYIAPVER-UHFFFAOYSA-N 0 0 289.272 2.554 10 30 CFEERN CC[C@@H]1CCCN(C(=O)[C@H](C#N)c2ccccc2)C1 ZINC000061614568 523241305 /nfs/dbraw/zinc/24/13/05/523241305.db2.gz QIYWRDIAUXXIRW-UKRRQHHQSA-N 0 0 256.349 2.942 10 30 CFEERN CC[C@@H]1CCCN1c1ccc(Cl)cc1/C(N)=N/O ZINC000052860584 523270950 /nfs/dbraw/zinc/27/09/50/523270950.db2.gz FFXKINWJDGAMKF-SNVBAGLBSA-N 0 0 267.760 2.813 10 30 CFEERN COc1ccc(C#N)cc1CN[C@@H](C)c1ncc(C)o1 ZINC000230646456 523525760 /nfs/dbraw/zinc/52/57/60/523525760.db2.gz FMFNITVKJXTZJN-NSHDSACASA-N 0 0 271.320 2.714 10 30 CFEERN Cc1ccc(C)c(CC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061888468 524092419 /nfs/dbraw/zinc/09/24/19/524092419.db2.gz XOUWDZFYWYFUMO-HIFRSBDPSA-N 0 0 256.349 2.654 10 30 CFEERN COc1ccc(COc2ccc(C#N)cc2N)cc1F ZINC000048786231 524119718 /nfs/dbraw/zinc/11/97/18/524119718.db2.gz TZZURGQCTKUTQZ-UHFFFAOYSA-N 0 0 272.279 2.867 10 30 CFEERN Cc1ccc(C)c(Oc2ccnc(/C(N)=N/O)c2)c1 ZINC000061813894 524184283 /nfs/dbraw/zinc/18/42/83/524184283.db2.gz KLSVBZLERKDYCD-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN Cc1cc(C)c(C#N)c(NCCc2ccc(N)cc2)n1 ZINC000040675797 524216477 /nfs/dbraw/zinc/21/64/77/524216477.db2.gz KQFOONOEZTZTEX-UHFFFAOYSA-N 0 0 266.348 2.807 10 30 CFEERN COc1ccc(N)c(C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000050428756 524372616 /nfs/dbraw/zinc/37/26/16/524372616.db2.gz DBKXKWVVXFKIPA-UHFFFAOYSA-N 0 0 281.315 2.710 10 30 CFEERN C[C@@H](NC(=O)CC(F)(F)F)c1cccc(C#CCCO)c1 ZINC000049589670 525075552 /nfs/dbraw/zinc/07/55/52/525075552.db2.gz VJZLKFHBZIIODO-LLVKDONJSA-N 0 0 299.292 2.550 10 30 CFEERN CS(=O)(=O)c1ccc(N[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823824 525259099 /nfs/dbraw/zinc/25/90/99/525259099.db2.gz WOPCOKAXYHACNB-RISCZKNCSA-N 0 0 278.377 2.584 10 30 CFEERN C[C@@H](NC(=O)c1ccco1)c1ccc(C#CCCO)cc1 ZINC000049589456 525357969 /nfs/dbraw/zinc/35/79/69/525357969.db2.gz BKKUXAHVEUYLNI-CYBMUJFWSA-N 0 0 283.327 2.505 10 30 CFEERN Cc1c(C)n(-c2ccc(F)c(C#N)c2)c2ncnc(N)c12 ZINC000051638299 525678805 /nfs/dbraw/zinc/67/88/05/525678805.db2.gz WULVZFULYKBQOY-UHFFFAOYSA-N 0 0 281.294 2.630 10 30 CFEERN Cc1ccnc(Sc2nc(C)cc(C)c2C#N)n1 ZINC000051331558 525709972 /nfs/dbraw/zinc/70/99/72/525709972.db2.gz KKPBUEFULRBXRF-UHFFFAOYSA-N 0 0 256.334 2.820 10 30 CFEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#CCO)cc2)s1 ZINC000049189169 525715307 /nfs/dbraw/zinc/71/53/07/525715307.db2.gz GHXPACFXWFLUOP-CYBMUJFWSA-N 0 0 299.395 2.891 10 30 CFEERN Cc1ccoc1C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691591 525789886 /nfs/dbraw/zinc/78/98/86/525789886.db2.gz BCADWYKPAAGPAD-UHFFFAOYSA-N 0 0 289.718 2.838 10 30 CFEERN Cc1ccc(C#N)cc1N1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000050436426 525996101 /nfs/dbraw/zinc/99/61/01/525996101.db2.gz UCHXPEUZJQVYBQ-INIZCTEOSA-N 0 0 270.332 2.792 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)c1cccc(F)c1N ZINC000054208482 526005647 /nfs/dbraw/zinc/00/56/47/526005647.db2.gz KGLRDZIWPSLLND-UHFFFAOYSA-N 0 0 269.279 2.840 10 30 CFEERN Cc1nn(Cc2cccc(C#CCCO)c2)c(C)c1C ZINC000049619585 526292410 /nfs/dbraw/zinc/29/24/10/526292410.db2.gz VKTLZOKJBMLPSM-UHFFFAOYSA-N 0 0 268.360 2.591 10 30 CFEERN O=C(OCc1ccccc1)N1CC[C@H](CCS)C1 ZINC000095078986 526427228 /nfs/dbraw/zinc/42/72/28/526427228.db2.gz AUMZCBBCNIKLJN-GFCCVEGCSA-N 0 0 265.378 2.965 10 30 CFEERN N#C[C@@H]1CCCCC[C@H]1Sc1ncnc2[nH]cnc21 ZINC000051036468 526499527 /nfs/dbraw/zinc/49/95/27/526499527.db2.gz SQHMZJZAKZLTHC-VHSXEESVSA-N 0 0 273.365 2.917 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000061890881 526501724 /nfs/dbraw/zinc/50/17/24/526501724.db2.gz XVZXTWQWGJKPMI-GWCFXTLKSA-N 0 0 253.305 2.590 10 30 CFEERN N#C[C@H](c1csc2ccccc12)N1CCOCC1 ZINC000054465754 526511276 /nfs/dbraw/zinc/51/12/76/526511276.db2.gz GAIOZWYSNIIQED-CYBMUJFWSA-N 0 0 258.346 2.798 10 30 CFEERN N#Cc1c(F)cccc1-n1cnc2cc(N)ccc21 ZINC000052852967 526521491 /nfs/dbraw/zinc/52/14/91/526521491.db2.gz BDEPIYKBJBUJSY-UHFFFAOYSA-N 0 0 252.252 2.618 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)CC[C@H]1CCCCO1 ZINC000069273784 526523424 /nfs/dbraw/zinc/52/34/24/526523424.db2.gz NJFSNJBJKQKJMN-LLVKDONJSA-N 0 0 276.311 2.985 10 30 CFEERN N#Cc1cc(NC[C@H](O)c2cccc(F)c2)ccc1F ZINC000051636575 526572665 /nfs/dbraw/zinc/57/26/65/526572665.db2.gz GYXYOFJROUBSSJ-HNNXBMFYSA-N 0 0 274.270 2.982 10 30 CFEERN N#Cc1cc(Sc2nc3cc(N)ccc3o2)ccn1 ZINC000061812855 526576792 /nfs/dbraw/zinc/57/67/92/526576792.db2.gz VOZUFGDBXVOOPX-UHFFFAOYSA-N 0 0 268.301 2.828 10 30 CFEERN N#Cc1ccc(CN2C(=S)N=NC2c2ccncc2)cc1 ZINC000051354662 526636689 /nfs/dbraw/zinc/63/66/89/526636689.db2.gz VXKSSOGEMJAXLD-UHFFFAOYSA-N 0 0 293.355 2.549 10 30 CFEERN N#Cc1ccc(F)cc1CN1CCc2c(N)cccc2C1 ZINC000069402020 526641976 /nfs/dbraw/zinc/64/19/76/526641976.db2.gz DYYTYDDZOOKQOA-UHFFFAOYSA-N 0 0 281.334 2.838 10 30 CFEERN N#Cc1ccc(N2CCC[C@H]2CCCO)c(Cl)c1 ZINC000062791536 526645126 /nfs/dbraw/zinc/64/51/26/526645126.db2.gz PLTZBVHARPMMQK-LBPRGKRZSA-N 0 0 264.756 2.953 10 30 CFEERN O=C(NCc1ccc(C#CCCO)cc1)C1CCCCC1 ZINC000049589132 526652952 /nfs/dbraw/zinc/65/29/52/526652952.db2.gz MYSMWDWVTGLRJS-UHFFFAOYSA-N 0 0 285.387 2.617 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2ccccc2CO)cc1 ZINC000049363386 526656183 /nfs/dbraw/zinc/65/61/83/526656183.db2.gz OLDOBYQPIGRUQZ-UHFFFAOYSA-N 0 0 267.288 2.695 10 30 CFEERN N#Cc1ccc(OCc2ccc(C#CCCO)cc2)cc1 ZINC000049620435 526677661 /nfs/dbraw/zinc/67/76/61/526677661.db2.gz QLXCSTDNZFNWSN-UHFFFAOYSA-N 0 0 277.323 2.871 10 30 CFEERN N#Cc1ccc(Sc2ncnc3[nH]cnc32)c(F)c1 ZINC000051036412 526686766 /nfs/dbraw/zinc/68/67/66/526686766.db2.gz NEXYEWSOAPAHLA-UHFFFAOYSA-N 0 0 271.280 2.515 10 30 CFEERN N#Cc1ccccc1OCc1cc([N+](=O)[O-])ccc1N ZINC000050831389 526747036 /nfs/dbraw/zinc/74/70/36/526747036.db2.gz GCMHWNMVGZNUJA-UHFFFAOYSA-N 0 0 269.260 2.628 10 30 CFEERN N#Cc1cnc2c(Br)cc(F)cc2c1N ZINC000050842878 526776651 /nfs/dbraw/zinc/77/66/51/526776651.db2.gz NBVHMHAYDWXTDD-UHFFFAOYSA-N 0 0 266.073 2.590 10 30 CFEERN N/C(=N/O)c1ccc(OCc2cccs2)c(F)c1 ZINC000049585626 526803644 /nfs/dbraw/zinc/80/36/44/526803644.db2.gz RJSTZVBOJUZOLL-UHFFFAOYSA-N 0 0 266.297 2.561 10 30 CFEERN Cc1occc1C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691590 526814007 /nfs/dbraw/zinc/81/40/07/526814007.db2.gz WGTMXRKRILGFNO-UHFFFAOYSA-N 0 0 289.718 2.838 10 30 CFEERN C=CCO[C@@H]1CCN(c2ncnc3cccc(C)c32)C1 ZINC000302145786 526820201 /nfs/dbraw/zinc/82/02/01/526820201.db2.gz KQVJJBVPSKMPAF-CYBMUJFWSA-N 0 0 269.348 2.720 10 30 CFEERN Cc1sc2ncnc(N3CCC(C=O)CC3)c2c1C ZINC000054268464 526898850 /nfs/dbraw/zinc/89/88/50/526898850.db2.gz DNYWOMNVIYWCBM-UHFFFAOYSA-N 0 0 275.377 2.723 10 30 CFEERN O=C(Nc1cc(C#CCO)ccc1Cl)c1ccco1 ZINC000061691569 527102586 /nfs/dbraw/zinc/10/25/86/527102586.db2.gz SVDOSLOBKMIXPT-UHFFFAOYSA-N 0 0 275.691 2.529 10 30 CFEERN Cc1nc2ccccc2n1Cc1cccc(C#CCO)c1 ZINC000049618852 527171648 /nfs/dbraw/zinc/17/16/48/527171648.db2.gz YICHFJGYZNUXAZ-UHFFFAOYSA-N 0 0 276.339 2.737 10 30 CFEERN Cc1nc2ccccc2n1Cc1ccc(C#CCO)cc1 ZINC000049618850 527172004 /nfs/dbraw/zinc/17/20/04/527172004.db2.gz LIGVEYPCFMSRAE-UHFFFAOYSA-N 0 0 276.339 2.737 10 30 CFEERN OCC#Cc1cc(F)ccc1CN1Cc2ccccc2C1 ZINC000050911929 527517772 /nfs/dbraw/zinc/51/77/72/527517772.db2.gz CUSUTKWMFRCPCJ-UHFFFAOYSA-N 0 0 281.330 2.685 10 30 CFEERN OCC#Cc1ccc(CN2Cc3ccccc3C2)s1 ZINC000050911923 527519653 /nfs/dbraw/zinc/51/96/53/527519653.db2.gz OOGKNKZRUIGCFS-UHFFFAOYSA-N 0 0 269.369 2.608 10 30 CFEERN OCC#Cc1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000049620382 527520018 /nfs/dbraw/zinc/52/00/18/527520018.db2.gz ALRYJCQZILFMBI-UHFFFAOYSA-N 0 0 286.302 2.627 10 30 CFEERN OCC#Cc1ccc(COc2cccc(F)c2F)s1 ZINC000062652498 527520126 /nfs/dbraw/zinc/52/01/26/527520126.db2.gz KAQVXQGSXZLLEQ-UHFFFAOYSA-N 0 0 280.295 2.949 10 30 CFEERN OCCC#Cc1cccc(COc2ccccc2)c1 ZINC000049620428 527531228 /nfs/dbraw/zinc/53/12/28/527531228.db2.gz GIQJGEGZQIKVQK-UHFFFAOYSA-N 0 0 252.313 3.000 10 30 CFEERN CC(C)OCc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333867452 528043336 /nfs/dbraw/zinc/04/33/36/528043336.db2.gz SZZNOGGQONOWPM-CQSZACIVSA-N 0 0 261.325 2.720 10 30 CFEERN CC[C@@]1(c2cccc(Br)c2)O[C@@H]1C#N ZINC000306375820 545499122 /nfs/dbraw/zinc/49/91/22/545499122.db2.gz YDZJWXXGRVBLSA-MNOVXSKESA-N 0 0 252.111 2.977 10 30 CFEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1cccc(Cl)c1 ZINC000234590797 567852334 /nfs/dbraw/zinc/85/23/34/567852334.db2.gz STSRAZOXYPEHPM-GHMZBOCLSA-N 0 0 261.104 2.694 10 30 CFEERN C=C[C@H](C)NC(=S)NCc1ccccc1Br ZINC000757135575 617782434 /nfs/dbraw/zinc/78/24/34/617782434.db2.gz VPFNEUMZFKGFRX-VIFPVBQESA-N 0 0 299.237 2.988 10 30 CFEERN COc1cccc([C@@H](CC=O)NC(=O)OC(C)(C)C)c1 ZINC000238387695 618156486 /nfs/dbraw/zinc/15/64/86/618156486.db2.gz UVTLSTPVTWKNPB-CYBMUJFWSA-N 0 0 279.336 2.850 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158763774 618196391 /nfs/dbraw/zinc/19/63/91/618196391.db2.gz UXOUVJAIWBFSRB-CABZTGNLSA-N 0 0 250.729 2.827 10 30 CFEERN CC[C@H](C#N)OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000176003371 618197376 /nfs/dbraw/zinc/19/73/76/618197376.db2.gz XFNYDYBMAJRQTL-GMTAPVOTSA-N 0 0 265.259 2.914 10 30 CFEERN C#C[C@@H](OC(=O)C1(c2ccccc2)CCOCC1)C1CC1 ZINC000179543985 618324344 /nfs/dbraw/zinc/32/43/44/618324344.db2.gz OOHJHTUPPNHIMD-MRXNPFEDSA-N 0 0 284.355 2.690 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000186039636 618351899 /nfs/dbraw/zinc/35/18/99/618351899.db2.gz FMMJNWCLRBHOQI-HZMBPMFUSA-N 0 0 260.312 2.524 10 30 CFEERN CCCCCCCCCN1CCS(=O)(=O)[C@H](C)C1 ZINC000192033115 618420065 /nfs/dbraw/zinc/42/00/65/618420065.db2.gz MKVYDQVCSZZZGX-CQSZACIVSA-N 0 0 275.458 2.856 10 30 CFEERN C=C1CC(C)(c2noc([C@]3(OC(C)C)CCOC3)n2)C1 ZINC000896921596 619889759 /nfs/dbraw/zinc/88/97/59/619889759.db2.gz PBHVXVZBMDVWIR-HNNXBMFYSA-N 0 0 278.352 2.718 10 30 CFEERN C#CCOCCC(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000166954167 623038526 /nfs/dbraw/zinc/03/85/26/623038526.db2.gz NJKJGPAXZUJPDE-GFCCVEGCSA-N 0 0 291.303 2.547 10 30 CFEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1cccc(F)c1 ZINC000060009669 623114894 /nfs/dbraw/zinc/11/48/94/623114894.db2.gz FYFPSHBCRNMKES-LBPRGKRZSA-N 0 0 267.300 2.981 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000061890277 623240584 /nfs/dbraw/zinc/24/05/84/623240584.db2.gz VDUXGPOATAOQBO-CBAPKCEASA-N 0 0 284.146 2.810 10 30 CFEERN N#CCCCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171771095 623243363 /nfs/dbraw/zinc/24/33/63/623243363.db2.gz UGFGLCYNAKGPNI-GHMZBOCLSA-N 0 0 265.259 2.915 10 30 CFEERN CC#CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000232624654 623430333 /nfs/dbraw/zinc/43/03/33/623430333.db2.gz GNPHMTATYQOPHH-VIFPVBQESA-N 0 0 266.138 2.650 10 30 CFEERN C[C@@H](OC(=O)c1cccc(C#N)c1)C1CCOCC1 ZINC000151537014 623467164 /nfs/dbraw/zinc/46/71/64/623467164.db2.gz BLUQYFUDYKPREK-LLVKDONJSA-N 0 0 259.305 2.530 10 30 CFEERN C#C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C1CC1 ZINC000152700272 623756225 /nfs/dbraw/zinc/75/62/25/623756225.db2.gz YUABMVYUDUIUHU-JYJNAYRXSA-N 0 0 270.328 2.754 10 30 CFEERN CCO[C@H](c1noc(-c2ccc(C#N)cn2)n1)C(C)C ZINC000233760330 624955197 /nfs/dbraw/zinc/95/51/97/624955197.db2.gz VAFJPRDPKIXYMM-LBPRGKRZSA-N 0 0 272.308 2.737 10 30 CFEERN C=C[C@@H](CC)OC(=O)Cn1ccc(=O)c2ccccc21 ZINC000181212747 625078224 /nfs/dbraw/zinc/07/82/24/625078224.db2.gz KJNRZHFDDWHLKW-LBPRGKRZSA-N 0 0 271.316 2.509 10 30 CFEERN CSC(=NC#N)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000252678702 625202231 /nfs/dbraw/zinc/20/22/31/625202231.db2.gz PBXNRZFZDJXAKP-UHFFFAOYSA-N 0 0 294.811 2.662 10 30 CFEERN SCc1cc(Br)c2c(c1)OCCO2 ZINC000086895323 626451175 /nfs/dbraw/zinc/45/11/75/626451175.db2.gz WNZHLAZOZPVEAU-UHFFFAOYSA-N 0 0 261.140 2.650 10 30 CFEERN C=CCc1cc(OC)ccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000121434166 629979539 /nfs/dbraw/zinc/97/95/39/629979539.db2.gz GNZUUSIYOTWQOO-XHDPSFHLSA-N 0 0 276.332 2.897 10 30 CFEERN C#CCCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109185304 633903310 /nfs/dbraw/zinc/90/33/10/633903310.db2.gz ZYWGOUDMECMYPK-GHMZBOCLSA-N 0 0 250.244 2.635 10 30 CFEERN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(C3CC3)n[nH]2)C1 ZINC000091973701 650913158 /nfs/dbraw/zinc/91/31/58/650913158.db2.gz SDOOVTJPHWSMQT-MRXNPFEDSA-N 0 0 289.379 2.530 10 30 CFEERN CC/C(=C/C(=O)N[C@H](C)C#N)c1ccc(OC)cc1 ZINC000129141570 645091359 /nfs/dbraw/zinc/09/13/59/645091359.db2.gz JYBCLPMWPCUXLF-ZGSOTFDTSA-N 0 0 258.321 2.517 10 30 CFEERN C[C@H](C#N)NC(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000129908544 645427207 /nfs/dbraw/zinc/42/72/07/645427207.db2.gz JOGYWQCUGMUXEA-BDAKNGLRSA-N 0 0 291.401 2.805 10 30 CFEERN CC(=O)c1cc(C#N)cc(CCNC(=O)OC(C)(C)C)c1 ZINC000095764835 185027355 /nfs/dbraw/zinc/02/73/55/185027355.db2.gz NJAPRDMFUULHNP-UHFFFAOYSA-N 0 0 288.347 2.828 10 30 CFEERN N#Cc1cc(Br)ccc1OCCCCCO ZINC000125349584 187180660 /nfs/dbraw/zinc/18/06/60/187180660.db2.gz DWXMGNPUVJPIQX-UHFFFAOYSA-N 0 0 284.153 2.862 10 30 CFEERN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccco2)cc1 ZINC000116290043 232194463 /nfs/dbraw/zinc/19/44/63/232194463.db2.gz JNTKIGXPMNHRCW-OAHLLOKOSA-N 0 0 295.342 2.927 10 30 CFEERN COc1ccc(/C=N/[C@H](CO)Cc2ccccc2)cc1 ZINC000003631486 346208984 /nfs/dbraw/zinc/20/89/84/346208984.db2.gz GDRSZTYRHKJXRC-IQFISFIMSA-N 0 0 269.344 2.718 10 30 CFEERN CCCCCOc1ccc(/C=C/C(=O)NO)cc1OC ZINC000005298769 346211159 /nfs/dbraw/zinc/21/11/59/346211159.db2.gz XMZUJESEDSZCKX-VQHVLOKHSA-N 0 0 279.336 2.783 10 30 CFEERN CCO[C@H](/C(N)=N/O)c1ccc(Cl)c(Cl)c1 ZINC000005650829 346212733 /nfs/dbraw/zinc/21/27/33/346212733.db2.gz SZZUPDHXNKTILB-VIFPVBQESA-N 0 0 263.124 2.817 10 30 CFEERN CC(=O)CN=C1NC(=Nc2ccc(F)c(Cl)c2)S1 ZINC000006186090 346213613 /nfs/dbraw/zinc/21/36/13/346213613.db2.gz GUYZLMGGDIWWAT-UHFFFAOYSA-N 0 0 285.731 2.748 10 30 CFEERN C[C@@H](NNC(=S)NCc1ccccc1)c1ccccn1 ZINC000027308682 346268863 /nfs/dbraw/zinc/26/88/63/346268863.db2.gz UHMVGHOTCZREPE-GFCCVEGCSA-N 0 0 286.404 2.723 10 30 CFEERN CCCCn1cc(C#N)c(=O)c2cc(F)c(F)cc21 ZINC000085346137 179028785 /nfs/dbraw/zinc/02/87/85/179028785.db2.gz KEMRHMXSQSRRKZ-UHFFFAOYSA-N 0 0 262.259 2.951 10 30 CFEERN CN(C)[C@H](C#N)c1cc(Br)ccc1F ZINC000037354912 346329575 /nfs/dbraw/zinc/32/95/75/346329575.db2.gz JRPUWMXKUGFOMU-SNVBAGLBSA-N 0 0 257.106 2.714 10 30 CFEERN C[C@H](C#N)C(=O)c1ccccc1I ZINC000036931629 346325111 /nfs/dbraw/zinc/32/51/11/346325111.db2.gz UKMPRRFYKDXNNB-SSDOTTSWSA-N 0 0 285.084 2.634 10 30 CFEERN CS(=O)(=O)OCCCCCCc1ccccc1 ZINC000039390323 346343488 /nfs/dbraw/zinc/34/34/88/346343488.db2.gz ZWXBHANUTLAJCB-UHFFFAOYSA-N 0 0 256.367 2.766 10 30 CFEERN CCCCCCCN=C(NC#N)Nc1cccnc1 ZINC000043284923 346381509 /nfs/dbraw/zinc/38/15/09/346381509.db2.gz YQCMJXODNUFPHT-UHFFFAOYSA-N 0 0 259.357 2.891 10 30 CFEERN O=C[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000054218910 346563036 /nfs/dbraw/zinc/56/30/36/346563036.db2.gz RLMSXHGNKGTQEE-VIFPVBQESA-N 0 0 288.210 2.922 10 30 CFEERN O=C[C@@H]1CCCCN1Cc1ccc(Br)o1 ZINC000054238319 346564118 /nfs/dbraw/zinc/56/41/18/346564118.db2.gz MMAZPAUZGJGTMP-VIFPVBQESA-N 0 0 272.142 2.596 10 30 CFEERN COc1ccc(CN[C@H]2CCCC[C@H]2C#N)cc1OC ZINC000054825264 346577395 /nfs/dbraw/zinc/57/73/95/346577395.db2.gz CSOGRMJBBHNZNT-KBPBESRZSA-N 0 0 274.364 2.876 10 30 CFEERN c1ccc(-c2ccccc2OC[C@@H]2CO2)c(OC[C@@H]2CO2)c1 ZINC000060192950 346660356 /nfs/dbraw/zinc/66/03/56/346660356.db2.gz GGIBUEPJJRWWNM-KBPBESRZSA-N 0 0 298.338 2.909 10 30 CFEERN Cc1ccc(C#N)c(I)c1C ZINC000060259869 346661295 /nfs/dbraw/zinc/66/12/95/346661295.db2.gz XOQTYMANYXGSAB-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN CN(CCC#N)c1ccc(Br)cc1F ZINC000064349804 346718208 /nfs/dbraw/zinc/71/82/08/346718208.db2.gz WGHMPYJBPFCQRJ-UHFFFAOYSA-N 0 0 257.106 2.938 10 30 CFEERN Cc1c(C#N)c(N)nc2cc(Br)ccc12 ZINC000725244111 539558443 /nfs/dbraw/zinc/55/84/43/539558443.db2.gz HYFAQTHLYZVUPG-UHFFFAOYSA-N 0 0 262.110 2.760 10 30 CFEERN CCC1CCC(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000329549904 282536563 /nfs/dbraw/zinc/53/65/63/282536563.db2.gz JBOHIVHYDGJGCT-HAGFKGRBSA-N 0 0 280.412 2.572 10 30 CFEERN Cc1nnc(NC[C@@H](C)Nc2ccccc2)c(C#N)c1C ZINC000084927955 347476305 /nfs/dbraw/zinc/47/63/05/347476305.db2.gz KNCZLUMSOZQKLL-LLVKDONJSA-N 0 0 281.363 2.878 10 30 CFEERN C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1CCCO1 ZINC000092605897 347634491 /nfs/dbraw/zinc/63/44/91/347634491.db2.gz KSCYKSIOCIWJPI-SVRRBLITSA-N 0 0 257.746 2.648 10 30 CFEERN N#Cc1cccnc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000092960837 347655039 /nfs/dbraw/zinc/65/50/39/347655039.db2.gz NCLPFUICFVMVAE-CYBMUJFWSA-N 0 0 273.723 2.752 10 30 CFEERN CC[C@@H](C)[C@@H](OS(C)(=O)=O)c1ccc(C#N)cc1 ZINC000113987777 347770254 /nfs/dbraw/zinc/77/02/54/347770254.db2.gz OGWQRWJFHPYUII-ZWNOBZJWSA-N 0 0 267.350 2.622 10 30 CFEERN N#Cc1ncc(-c2coc(-c3ccc(F)cc3)n2)cn1 ZINC000115009272 347776534 /nfs/dbraw/zinc/77/65/34/347776534.db2.gz PSRLDWXLMXXSNH-UHFFFAOYSA-N 0 0 266.235 2.809 10 30 CFEERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)cn1 ZINC000107433470 347735361 /nfs/dbraw/zinc/73/53/61/347735361.db2.gz ZSZFSKGOAZLTIA-LBPRGKRZSA-N 0 0 265.316 2.753 10 30 CFEERN C[C@@](C#N)([C@@H]1CCCC(=O)C1)S(=O)(=O)c1ccccc1 ZINC000117941128 347794802 /nfs/dbraw/zinc/79/48/02/347794802.db2.gz HLHAZGAQVCIUAJ-IUODEOHRSA-N 0 0 291.372 2.502 10 30 CFEERN CCCSc1nnc(Sc2nccnc2C#N)s1 ZINC000116927119 347788988 /nfs/dbraw/zinc/78/89/88/347788988.db2.gz FAOXFSQRAJEDBY-UHFFFAOYSA-N 0 0 295.418 2.853 10 30 CFEERN CCC(=O)Nc1ccc(Br)cc1C#N ZINC000126721726 347836251 /nfs/dbraw/zinc/83/62/51/347836251.db2.gz HUASXSHACRWNLE-UHFFFAOYSA-N 0 0 253.099 2.669 10 30 CFEERN C#C[C@@H](NC)c1ccc(Br)cc1Cl ZINC000130042227 347866773 /nfs/dbraw/zinc/86/67/73/347866773.db2.gz AGQWDJZILPAUGY-SNVBAGLBSA-N 0 0 258.546 2.996 10 30 CFEERN CN[C@](C)(C#N)c1cc(Br)ccc1F ZINC000131936286 347881979 /nfs/dbraw/zinc/88/19/79/347881979.db2.gz UAEKDNWTGJJBMQ-SNVBAGLBSA-N 0 0 257.106 2.546 10 30 CFEERN COc1cc(-c2cncc(F)c2[C@H](C)O)ccc1C#N ZINC000143037237 347935887 /nfs/dbraw/zinc/93/58/87/347935887.db2.gz VBBPYQAAGDZICK-VIFPVBQESA-N 0 0 272.279 2.821 10 30 CFEERN C=CCc1ccccc1S(=O)(=O)NC(C)(C)CC ZINC000144216648 347939916 /nfs/dbraw/zinc/93/99/16/347939916.db2.gz KCPNZVAYWFLLQV-UHFFFAOYSA-N 0 0 267.394 2.882 10 30 CFEERN CCCCCCCCCCNC(=O)OCC(=O)NC ZINC000137238900 347912706 /nfs/dbraw/zinc/91/27/06/347912706.db2.gz YLLSBMHBSWNXSN-UHFFFAOYSA-N 0 0 272.389 2.599 10 30 CFEERN C#CC[C@H](O)/C(Br)=C/c1ccccc1 ZINC000140394723 347925336 /nfs/dbraw/zinc/92/53/36/347925336.db2.gz QYLMGNKXBSZXPK-MMRAYRKESA-N 0 0 251.123 2.807 10 30 CFEERN CC[C@H](C)n1nc(-c2ccnn2C)c(C#N)c1Cl ZINC000725257396 539593853 /nfs/dbraw/zinc/59/38/53/539593853.db2.gz NNEKHZRVQAHVNI-QMMMGPOBSA-N 0 0 263.732 2.780 10 30 CFEERN CCC#CCCOS(=O)(=O)c1ccc(C)cc1 ZINC000147785759 347948782 /nfs/dbraw/zinc/94/87/82/347948782.db2.gz JUMTXZXNFPOPMI-UHFFFAOYSA-N 0 0 252.335 2.504 10 30 CFEERN N#C[C@H]1CCOc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000147906300 347948800 /nfs/dbraw/zinc/94/88/00/347948800.db2.gz CTJDZYPGGFGWCK-GFCCVEGCSA-N 0 0 299.351 2.909 10 30 CFEERN C[C@@](O)(CC=O)c1cc(F)c(Cl)cc1Cl ZINC000159354439 348012518 /nfs/dbraw/zinc/01/25/18/348012518.db2.gz PBCYVVSZUAINJK-SNVBAGLBSA-N 0 0 251.084 2.929 10 30 CFEERN C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] ZINC000086816008 179343374 /nfs/dbraw/zinc/34/33/74/179343374.db2.gz NRKIZALGMHMBDK-NHYWBVRUSA-N 0 0 258.321 2.558 10 30 CFEERN CC#CCC(=O)c1ccccc1I ZINC000167886913 348047383 /nfs/dbraw/zinc/04/73/83/348047383.db2.gz JMEAZPREQOOOCW-UHFFFAOYSA-N 0 0 284.096 2.887 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000188329450 348132293 /nfs/dbraw/zinc/13/22/93/348132293.db2.gz OAUGDTZLNNBQPF-GZBFAFLISA-N 0 0 251.370 2.759 10 30 CFEERN C=CCO/N=C(\CC(=O)OCC)c1ccc(F)cc1 ZINC000198757917 348150894 /nfs/dbraw/zinc/15/08/94/348150894.db2.gz BSPPWDCQISGHJP-DTQAZKPQSA-N 0 0 265.284 2.686 10 30 CFEERN N#CCCCOC(=O)CC(=O)CCC=Cc1cccnc1 ZINC000213345124 348160315 /nfs/dbraw/zinc/16/03/15/348160315.db2.gz UPEFUHHWOKQQAS-LZCJLJQNSA-N 0 0 286.331 2.681 10 30 CFEERN C[C@](C#N)(CCF)NC(=O)OCc1ccccc1 ZINC000221203970 348171348 /nfs/dbraw/zinc/17/13/48/348171348.db2.gz AEDHKYKBURAJOP-CYBMUJFWSA-N 0 0 250.273 2.555 10 30 CFEERN C=C(Br)CNc1cc(C#N)cc(Cl)n1 ZINC000229316193 348200756 /nfs/dbraw/zinc/20/07/56/348200756.db2.gz NGGSCCUGEZVMFQ-UHFFFAOYSA-N 0 0 272.533 2.927 10 30 CFEERN N#CCc1cc(I)cc(F)c1F ZINC000238602276 348247837 /nfs/dbraw/zinc/24/78/37/348247837.db2.gz XJIGIVYRXWQLLU-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN C#CC(=O)Nc1cccc(Cl)c1Br ZINC000236051677 348231700 /nfs/dbraw/zinc/23/17/00/348231700.db2.gz OVAQCLJANPTNCP-UHFFFAOYSA-N 0 0 258.502 2.674 10 30 CFEERN N#Cc1ccc(-c2nc([C@H]3CCCCS3)no2)nc1 ZINC000236258728 348232506 /nfs/dbraw/zinc/23/25/06/348232506.db2.gz JXSYLXVDMFSBHR-LLVKDONJSA-N 0 0 272.333 2.961 10 30 CFEERN C#C[C@]1(O)C[C@H]2c3ccc(OC)cc3CC[C@@]2(C)C1 ZINC000263606779 348316802 /nfs/dbraw/zinc/31/68/02/348316802.db2.gz RGMQGPYAYKKFCZ-ULQDDVLXSA-N 0 0 256.345 2.889 10 30 CFEERN Cn1c2ccccc2s/c1=N/N=C/c1ccncc1 ZINC000103741763 282606946 /nfs/dbraw/zinc/60/69/46/282606946.db2.gz FJADQPNGDUPCJO-RTIZFMKRSA-N 0 0 268.345 2.570 10 30 CFEERN C#C[C@H](Nc1ccc(Br)cn1)C(C)C ZINC000300915252 348370590 /nfs/dbraw/zinc/37/05/90/348370590.db2.gz MIMKEKQUKKFCIR-JTQLQIEISA-N 0 0 253.143 2.914 10 30 CFEERN C[C@H](C#N)Nc1cccc(F)c1I ZINC000300954661 348370601 /nfs/dbraw/zinc/37/06/01/348370601.db2.gz MLAGABSNNBQWOA-ZCFIWIBFSA-N 0 0 290.079 2.754 10 30 CFEERN C=C[C@@H](N[C@@H](C)c1cccc(Br)c1)C(=O)OC ZINC000304224818 348378052 /nfs/dbraw/zinc/37/80/52/348378052.db2.gz YDHFMEKFRZQDIH-JOYOIKCWSA-N 0 0 298.180 2.827 10 30 CFEERN C#C[C@H](NCC)c1sccc1I ZINC000306538470 348388743 /nfs/dbraw/zinc/38/87/43/348388743.db2.gz SQMRIHONTCEJHN-QMMMGPOBSA-N 0 0 291.157 2.637 10 30 CFEERN N#Cc1ccccc1C(=O)C(F)(F)Br ZINC000306367177 348386821 /nfs/dbraw/zinc/38/68/21/348386821.db2.gz IKQXBTZNCJGSHR-UHFFFAOYSA-N 0 0 260.037 2.729 10 30 CFEERN COc1ccc(NC(=O)C#CBr)cc1Cl ZINC000306807229 348392639 /nfs/dbraw/zinc/39/26/39/348392639.db2.gz LQENGKAYBFGBRE-UHFFFAOYSA-N 0 0 288.528 2.643 10 30 CFEERN C#CCN[C@@H](C)c1ccccc1I ZINC000307024895 348395189 /nfs/dbraw/zinc/39/51/89/348395189.db2.gz WWRIMBSUPCALLR-VIFPVBQESA-N 0 0 285.128 2.575 10 30 CFEERN COC(=O)c1cc(Cl)c(C#N)c(Br)c1 ZINC000307634074 348401191 /nfs/dbraw/zinc/40/11/91/348401191.db2.gz OXEJGXSVPMRQRW-UHFFFAOYSA-N 0 0 274.501 2.761 10 30 CFEERN N#CC1(CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000087930685 179525779 /nfs/dbraw/zinc/52/57/79/179525779.db2.gz UPBOLIIQGJUXBB-UHFFFAOYSA-N 0 0 260.293 2.848 10 30 CFEERN Cc1c(CC2(C#N)CCOCC2)cccc1[N+](=O)[O-] ZINC000087930660 179525817 /nfs/dbraw/zinc/52/58/17/179525817.db2.gz GBPOSFNREYPAJC-UHFFFAOYSA-N 0 0 260.293 2.766 10 30 CFEERN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1F ZINC000404174603 348590275 /nfs/dbraw/zinc/59/02/75/348590275.db2.gz XDAYWKJGPMSVNY-DZGCQCFKSA-N 0 0 257.312 2.869 10 30 CFEERN Cc1cc(C#N)cc(N[C@H]2CNc3ccccc3C2)n1 ZINC000404459138 348592579 /nfs/dbraw/zinc/59/25/79/348592579.db2.gz RSKFFCNWSCVLMM-CQSZACIVSA-N 0 0 264.332 2.710 10 30 CFEERN CCc1nn(Cc2ccc(C#N)cc2)c(C)c1[N+](=O)[O-] ZINC000584599218 348684870 /nfs/dbraw/zinc/68/48/70/348684870.db2.gz WKBPYLHSFVLBJS-UHFFFAOYSA-N 0 0 270.292 2.582 10 30 CFEERN N#Cc1ccccc1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000584598784 348685037 /nfs/dbraw/zinc/68/50/37/348685037.db2.gz VDSIAQWBEJTMDF-NSHDSACASA-N 0 0 282.265 2.827 10 30 CFEERN CC(C)[C@](O)(C#Cc1ccccc1C#N)C1(C#N)CC1 ZINC000584598815 348685093 /nfs/dbraw/zinc/68/50/93/348685093.db2.gz 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348699025 /nfs/dbraw/zinc/69/90/25/348699025.db2.gz MGKGLCPDSCUORO-NSHDSACASA-N 0 0 282.137 2.749 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cncs1 ZINC000584639360 348699777 /nfs/dbraw/zinc/69/97/77/348699777.db2.gz VGFATDUQPGLXDJ-OLZOCXBDSA-N 0 0 258.346 2.916 10 30 CFEERN CCC[C@@H](C=O)[C@@H](C[N+](=O)[O-])c1cccc(OC)c1 ZINC000584654368 348702575 /nfs/dbraw/zinc/70/25/75/348702575.db2.gz YYEQAOFJASBLIW-JSGCOSHPSA-N 0 0 265.309 2.671 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cnccc1C(F)(F)F ZINC000594306834 349405724 /nfs/dbraw/zinc/40/57/24/349405724.db2.gz WOGKZYBQJNINBI-GZMMTYOYSA-N 0 0 283.253 2.522 10 30 CFEERN N#Cc1cccc([C@H](c2ccc(Cl)cc2)N2CC(O)C2)c1 ZINC000090567757 180006460 /nfs/dbraw/zinc/00/64/60/180006460.db2.gz OKZYDICVRLXERO-KRWDZBQOSA-N 0 0 298.773 2.978 10 30 CFEERN C=CCCC[C@H]1CN1S(=O)(=O)c1ccc(C)cc1 ZINC000090735780 180033400 /nfs/dbraw/zinc/03/34/00/180033400.db2.gz XNOWPQLTFNPNMR-CFMCSPIPSA-N 0 0 265.378 2.724 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cscc1Cl 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201186626 /nfs/dbraw/zinc/18/66/26/201186626.db2.gz IZKSHSDMVVOYHY-NWDGAFQWSA-N 0 0 288.395 2.843 10 30 CFEERN CCOc1cc(CNc2cc(C)nc(C)c2C#N)ccn1 ZINC000301785950 201196568 /nfs/dbraw/zinc/19/65/68/201196568.db2.gz OWIYMBRYYJKOAK-UHFFFAOYSA-N 0 0 282.347 2.976 10 30 CFEERN C[C@H](COc1ccc(F)cc1)Nc1cccc(C#N)n1 ZINC000301820350 201216885 /nfs/dbraw/zinc/21/68/85/201216885.db2.gz GFCXOUUKOZLLRG-LLVKDONJSA-N 0 0 271.295 2.972 10 30 CFEERN C=CCC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000685961877 541477352 /nfs/dbraw/zinc/47/73/52/541477352.db2.gz PMCWFCGEAAJLHT-UHFFFAOYSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)c1cnc(CNC(=O)OC(C)(C)C)s1 ZINC000685962309 541477826 /nfs/dbraw/zinc/47/78/26/541477826.db2.gz BUMQDEUKDDRLGL-UHFFFAOYSA-N 0 0 268.338 2.537 10 30 CFEERN C=C(C)C(=O)C1(CC)CN(C(=O)OC(C)(C)C)C1 ZINC000685958325 541470516 /nfs/dbraw/zinc/47/05/16/541470516.db2.gz HUGOEPHXTHDUPD-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C/C=C/C(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000685959244 541473449 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201523991 /nfs/dbraw/zinc/52/39/91/201523991.db2.gz KUIYPVRMBCNNOP-UHFFFAOYSA-N 0 0 277.186 2.932 10 30 CFEERN NC(=O)[C@]1(c2ccccn2)O[C@H]1c1cccc2ccccc21 ZINC000000162567 371546871 /nfs/dbraw/zinc/54/68/71/371546871.db2.gz XXMRRXBBQWOURU-FUHWJXTLSA-N 0 0 290.322 2.687 10 30 CFEERN CCOC(=O)C(O)=CC(=O)c1ccc(Cl)cc1 ZINC000003888517 371822752 /nfs/dbraw/zinc/82/27/52/371822752.db2.gz KNHJOFAHOXSZND-XFFZJAGNSA-N 0 0 254.669 2.528 10 30 CFEERN C[C@H]1CCC[C@H](C)N1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000005559173 371883102 /nfs/dbraw/zinc/88/31/02/371883102.db2.gz RMIZYBFOSYUAFL-ZFRLMCFGSA-N 0 0 251.286 2.785 10 30 CFEERN O/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000012539067 371972684 /nfs/dbraw/zinc/97/26/84/371972684.db2.gz YMHSLWUPHSLIJT-JXAWBTAJSA-N 0 0 251.289 2.984 10 30 CFEERN CC(=O)/N=C1\c2ccccc2CN1c1cccc([N+](=O)[O-])c1 ZINC000012621292 371979229 /nfs/dbraw/zinc/97/92/29/371979229.db2.gz BQNUAHHRPRKLFC-WUKNDPDISA-N 0 0 295.298 2.908 10 30 CFEERN CS/C(=N/C#N)N1CCN(c2cccc(Cl)c2)CC1 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/nfs/dbraw/zinc/76/38/71/382763871.db2.gz LLQMQJZQDGXKNX-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1CC ZINC000575385289 382763878 /nfs/dbraw/zinc/76/38/78/382763878.db2.gz IRJQYUJWKCUCFO-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)c1ccc(CC)c(OC(F)F)c1C#N ZINC000575385301 382763886 /nfs/dbraw/zinc/76/38/86/382763886.db2.gz JSGRTWBROKBYEX-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN COC(=O)c1c(C#N)cc(OC(F)F)cc1C(F)F ZINC000575385540 382764138 /nfs/dbraw/zinc/76/41/38/382764138.db2.gz ZAMYCRURLCSARH-UHFFFAOYSA-N 0 0 277.173 2.884 10 30 CFEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1OC(F)F ZINC000575385460 382764242 /nfs/dbraw/zinc/76/42/42/382764242.db2.gz RYVBVZKAOPZGBT-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCOC(=O)c1c(OC(F)F)ccc(C#N)c1CC ZINC000575385519 382764334 /nfs/dbraw/zinc/76/43/34/382764334.db2.gz XASLIIJTEJLFPN-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCc1c(OC(F)F)cc(C#N)cc1C(=O)OC ZINC000575385528 382764355 /nfs/dbraw/zinc/76/43/55/382764355.db2.gz YCFGMCBDAODVLV-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1C ZINC000575388410 382764836 /nfs/dbraw/zinc/76/48/36/382764836.db2.gz HUVRTJFNSHCICF-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1c(CC(=O)OC)ccc(OC(F)(F)F)c1C#N ZINC000575388771 382765104 /nfs/dbraw/zinc/76/51/04/382765104.db2.gz DTGLHKMVWGUIQI-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(CC(=O)OC)c(C#N)c(OC(F)(F)F)c1 ZINC000575388795 382765266 /nfs/dbraw/zinc/76/52/66/382765266.db2.gz GDAIKWSZSCTNDR-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(OC(F)(F)F)cc(C(=O)OC)c1C#N ZINC000575388873 382765270 /nfs/dbraw/zinc/76/52/70/382765270.db2.gz GSYAXUFNVMQMSD-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCc1cc(CC(=O)OC)c(C(F)F)cc1C#N ZINC000575389380 382765612 /nfs/dbraw/zinc/76/56/12/382765612.db2.gz DJOMVVURGHCMAA-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCc1cc(C#N)cc(C(=O)OC)c1C(F)(F)F ZINC000575389216 382765615 /nfs/dbraw/zinc/76/56/15/382765615.db2.gz CKNUIDQGLQTCMC-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1cc(C#N)c(CC(=O)OC)cc1C(F)(F)F ZINC000575389210 382765618 /nfs/dbraw/zinc/76/56/18/382765618.db2.gz CBUPDUZLWIJZBI-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575389475 382765860 /nfs/dbraw/zinc/76/58/60/382765860.db2.gz PFXZQCQIELGCGA-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1cc(C#N)c(C(=O)OC)cc1C(F)(F)F ZINC000575390139 382766057 /nfs/dbraw/zinc/76/60/57/382766057.db2.gz WFMVYCHWHONZAP-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(C=O)c1 ZINC000575390877 382766302 /nfs/dbraw/zinc/76/63/02/382766302.db2.gz IBSYDUVNUHMWDD-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1C=O ZINC000575390783 382766362 /nfs/dbraw/zinc/76/63/62/382766362.db2.gz AICQYMNWEYPUBI-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)Cc1c(O)cc(C#N)cc1SC(F)(F)F ZINC000575392055 382767143 /nfs/dbraw/zinc/76/71/43/382767143.db2.gz NLZMHKJBNJFMQT-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN CCOC(=O)c1ccc(C(F)(F)F)c(OC)c1C#N ZINC000575394023 382767812 /nfs/dbraw/zinc/76/78/12/382767812.db2.gz FDBUBILYURJCCF-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1C ZINC000575394420 382768163 /nfs/dbraw/zinc/76/81/63/382768163.db2.gz HFDNXALFFAKFQL-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC)c1OC(F)(F)F ZINC000575394391 382768250 /nfs/dbraw/zinc/76/82/50/382768250.db2.gz JMQPMYCXTYNWLX-UHFFFAOYSA-N 0 0 289.209 2.642 10 30 CFEERN COC(=O)c1cc(C#N)c(C)cc1OC(F)(F)F ZINC000575394446 382768301 /nfs/dbraw/zinc/76/83/01/382768301.db2.gz IFOWPYRLOLYQFX-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)(F)F)cc1C ZINC000575394995 382768442 /nfs/dbraw/zinc/76/84/42/382768442.db2.gz RUOXUXIWBDTQPP-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1c(C)c(OC(F)(F)F)ccc1C#N ZINC000575394985 382768532 /nfs/dbraw/zinc/76/85/32/382768532.db2.gz QXLGTCAIAFCDAL-UHFFFAOYSA-N 0 0 273.210 2.942 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)c(OC)c1 ZINC000575394918 382768543 /nfs/dbraw/zinc/76/85/43/382768543.db2.gz SWTLPYIELZZZFJ-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1OC ZINC000575395060 382768573 /nfs/dbraw/zinc/76/85/73/382768573.db2.gz VKROSTVXJPPLLU-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)Cc1c(C#N)ccc(C)c1OC(F)(F)F ZINC000575395332 382768743 /nfs/dbraw/zinc/76/87/43/382768743.db2.gz YVPYKEZYINIRGF-UHFFFAOYSA-N 0 0 287.237 2.871 10 30 CFEERN COC(=O)c1cc(C#N)c(C)c(OC(F)(F)F)c1 ZINC000575395204 382768856 /nfs/dbraw/zinc/76/88/56/382768856.db2.gz RVFWWESCYWWWPW-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN C[C@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575496121 382773091 /nfs/dbraw/zinc/77/30/91/382773091.db2.gz DTCUOYATRVHJCZ-CABZTGNLSA-N 0 0 256.371 2.689 10 30 CFEERN C[C@@H](C#N)Nc1ccc(I)cc1F ZINC000575493280 382773148 /nfs/dbraw/zinc/77/31/48/382773148.db2.gz QHGMLYCWDISUSH-LURJTMIESA-N 0 0 290.079 2.754 10 30 CFEERN C#C[C@H](CC)Nc1ccc(I)cn1 ZINC000575557392 382773800 /nfs/dbraw/zinc/77/38/00/382773800.db2.gz HUAHUMKEOFEAEF-SECBINFHSA-N 0 0 286.116 2.510 10 30 CFEERN CN1CCC[C@@H](Nc2nccc(C#N)n2)c2ccccc21 ZINC000575603257 382774895 /nfs/dbraw/zinc/77/48/95/382774895.db2.gz UQSPFUXYJVQYQR-CQSZACIVSA-N 0 0 279.347 2.731 10 30 CFEERN N#Cc1ccnc(N2CC3(CCOCC3)c3ccccc32)n1 ZINC000575603204 382774903 /nfs/dbraw/zinc/77/49/03/382774903.db2.gz QTCSIFXFTQZPDS-UHFFFAOYSA-N 0 0 292.342 2.548 10 30 CFEERN COC(=O)Cc1cc(Cl)cc(C#N)c1C(F)F ZINC000575713643 382794499 /nfs/dbraw/zinc/79/44/99/382794499.db2.gz WSFGYLCIGRCJAR-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN COC(=O)Cc1c(C#N)c(Cl)ccc1C(F)F ZINC000575713695 382794532 /nfs/dbraw/zinc/79/45/32/382794532.db2.gz XRPNYCPINSSMQM-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN N#CCc1cc(O)c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575661470 382781118 /nfs/dbraw/zinc/78/11/18/382781118.db2.gz GUUGTMDNLAGJID-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN N#Cc1c(O)cc(OC(F)(F)F)cc1OC(F)F ZINC000575661330 382781164 /nfs/dbraw/zinc/78/11/64/382781164.db2.gz FGSHWRXTNDAHKS-UHFFFAOYSA-N 0 0 269.125 2.764 10 30 CFEERN N#Cc1cc(OC(F)F)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575666466 382782866 /nfs/dbraw/zinc/78/28/66/382782866.db2.gz IZPXDDDWKJLNTA-UHFFFAOYSA-N 0 0 298.123 2.966 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)c(OCC)c1 ZINC000575670092 382783497 /nfs/dbraw/zinc/78/34/97/382783497.db2.gz DGAGVPSYCHUBPP-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OCC)c(OC(F)F)c1 ZINC000575670079 382783548 /nfs/dbraw/zinc/78/35/48/382783548.db2.gz CMLBAYGMCGWCJT-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1cc([N+](=O)[O-])c(C#N)cc1C(F)(F)F ZINC000575670005 382783692 /nfs/dbraw/zinc/78/36/92/382783692.db2.gz BBWILDJFGAKIDS-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC(F)F)c(OCC)c1 ZINC000575670861 382783701 /nfs/dbraw/zinc/78/37/01/382783701.db2.gz NOHDHWADQWQDRI-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1cc(C#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575670512 382783716 /nfs/dbraw/zinc/78/37/16/382783716.db2.gz KPZOWNSKHRIUNG-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN Cc1cc(CC#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575674217 382784335 /nfs/dbraw/zinc/78/43/35/382784335.db2.gz QNOXQNFXUMOGIF-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1ccc(Br)c([N+](=O)[O-])c1Cl ZINC000575676684 382784703 /nfs/dbraw/zinc/78/47/03/382784703.db2.gz DREMANVKPSJTHO-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#CCc1ccc(C(F)(F)F)c(N)c1OC(F)F ZINC000575717863 382795236 /nfs/dbraw/zinc/79/52/36/382795236.db2.gz VZCYIOCGAOEBIO-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1c(Br)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575684059 382787100 /nfs/dbraw/zinc/78/71/00/382787100.db2.gz CZCSIXSFZMKOTA-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN CCc1c(I)ccc(N)c1CC#N ZINC000575717656 382795304 /nfs/dbraw/zinc/79/53/04/382795304.db2.gz KFUUHOBFQLNCNX-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(OC(F)F)cc1N ZINC000575718111 382795581 /nfs/dbraw/zinc/79/55/81/382795581.db2.gz XKMPMWYXOLVFQK-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN COc1cc(I)c(CC#N)cc1C ZINC000575707736 382792692 /nfs/dbraw/zinc/79/26/92/382792692.db2.gz DKOVYDJVAHXCNE-UHFFFAOYSA-N 0 0 287.100 2.674 10 30 CFEERN CCOC(=O)Cc1c(C#N)cc(Br)cc1CC ZINC000575341639 382759502 /nfs/dbraw/zinc/75/95/02/382759502.db2.gz YLIKAVJTFHAFSP-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN COC(=O)c1cc(C#N)cc(Cl)c1OC(F)F ZINC000575343038 382759751 /nfs/dbraw/zinc/75/97/51/382759751.db2.gz VZYWUSYTNGTKFN-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(Cl)c1OC(F)F ZINC000575343034 382759813 /nfs/dbraw/zinc/75/98/13/382759813.db2.gz VMPQAXZZWSKSKQ-UHFFFAOYSA-N 0 0 289.665 2.919 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575344230 382759954 /nfs/dbraw/zinc/75/99/54/382759954.db2.gz WVCLSJZVZIRQSW-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1c(C)c(C(F)F)ccc1C#N ZINC000575343707 382760026 /nfs/dbraw/zinc/76/00/26/382760026.db2.gz CJMLLDGTOBOGBA-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)cc1C(F)F ZINC000575344180 382760056 /nfs/dbraw/zinc/76/00/56/382760056.db2.gz TWHDLCLHFSCPDU-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C)cc(C(F)F)c1C#N ZINC000575343736 382760075 /nfs/dbraw/zinc/76/00/75/382760075.db2.gz FAHIMHMOYDGXHR-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C(F)F)cc1C#N ZINC000575343924 382760084 /nfs/dbraw/zinc/76/00/84/382760084.db2.gz JRAPQGOSAXRRQN-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cc(OC)cc(C#N)c1C(F)F ZINC000575343654 382760113 /nfs/dbraw/zinc/76/01/13/382760113.db2.gz WSEZUFGZWGZIPP-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1 ZINC000575345009 382760422 /nfs/dbraw/zinc/76/04/22/382760422.db2.gz OHLPXMVKKNOBOD-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN C#CCSCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000228722770 382849042 /nfs/dbraw/zinc/84/90/42/382849042.db2.gz OGQWXJXWLTYIJK-UHFFFAOYSA-N 0 0 254.286 2.512 10 30 CFEERN COc1cccc(/C=N\c2ccc(C(N)=O)cc2)c1 ZINC000000524323 169661808 /nfs/dbraw/zinc/66/18/08/169661808.db2.gz QIAAGUPSKRTAPO-YVLHZVERSA-N 0 0 254.289 2.545 10 30 CFEERN C[C@H]1CCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000230055164 382855339 /nfs/dbraw/zinc/85/53/39/382855339.db2.gz ONIARGWLDODXAW-SWLSCSKDSA-N 0 0 256.349 2.953 10 30 CFEERN C[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCS1 ZINC000235384781 382879793 /nfs/dbraw/zinc/87/97/93/382879793.db2.gz CWHFVUUIWALNIM-LBPRGKRZSA-N 0 0 278.337 2.559 10 30 CFEERN C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)c1nccs1 ZINC000235470573 382882107 /nfs/dbraw/zinc/88/21/07/382882107.db2.gz ZQIGIZOUERZUOY-MRVPVSSYSA-N 0 0 289.320 2.534 10 30 CFEERN N#Cc1nc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000236226008 382893085 /nfs/dbraw/zinc/89/30/85/382893085.db2.gz BVWVWHWCORGKSS-UHFFFAOYSA-N 0 0 272.239 2.613 10 30 CFEERN N#Cc1nc(C(F)(F)F)ccc1OC(F)(F)F ZINC000514256119 383153640 /nfs/dbraw/zinc/15/36/40/383153640.db2.gz CXIPUSRPNJNHAT-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN N#Cc1c(OC(F)(F)F)cncc1C(F)(F)F ZINC000514256854 383153994 /nfs/dbraw/zinc/15/39/94/383153994.db2.gz HXUFAZVOLKOBRC-UHFFFAOYSA-N 0 0 256.105 2.871 10 30 CFEERN CSc1nnc(C(F)F)n1N=Cc1cccc(O)c1 ZINC000254521081 383467661 /nfs/dbraw/zinc/46/76/61/383467661.db2.gz QWATWJSYYLOWKA-UHFFFAOYSA-N 0 0 284.291 2.525 10 30 CFEERN CC(=NNC(=S)Nc1ccc(F)cc1)C1CC1 ZINC000254791492 383470896 /nfs/dbraw/zinc/47/08/96/383470896.db2.gz OVZJWODREFQSFQ-UHFFFAOYSA-N 0 0 251.330 2.898 10 30 CFEERN N#CCc1cc(Br)c([N+](=O)[O-])cc1F ZINC000260866976 383506441 /nfs/dbraw/zinc/50/64/41/383506441.db2.gz KPFYEIXMJWUFSQ-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN CC(C)CCO[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000267739251 384454655 /nfs/dbraw/zinc/45/46/55/384454655.db2.gz WQLNUFYVVCYOQS-AWEZNQCLSA-N 0 0 259.353 2.595 10 30 CFEERN Cc1cccc([C@@](C#N)(C[C@@H](C)C#N)N2CCOCC2)c1 ZINC000096300479 256888528 /nfs/dbraw/zinc/88/85/28/256888528.db2.gz WDFVGTCLZOSIJC-WBVHZDCISA-N 0 0 283.375 2.596 10 30 CFEERN C#CCSCCNc1ccc(OC(F)(F)F)cn1 ZINC000301886593 393480653 /nfs/dbraw/zinc/48/06/53/393480653.db2.gz HZAZXVJGKMIWCJ-UHFFFAOYSA-N 0 0 276.283 2.759 10 30 CFEERN CC(C)(C)C(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000005632348 393461396 /nfs/dbraw/zinc/46/13/96/393461396.db2.gz XQWWTOCTRSDEHE-UHFFFAOYSA-N 0 0 268.320 2.729 10 30 CFEERN C#C[C@@](C)(CC)Nc1cc(Br)nc(C)n1 ZINC000306683318 393509249 /nfs/dbraw/zinc/50/92/49/393509249.db2.gz VLETUYCWQRVRHR-NSHDSACASA-N 0 0 268.158 2.761 10 30 CFEERN C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000182805221 393513728 /nfs/dbraw/zinc/51/37/28/393513728.db2.gz OGGAUJODXSZKDF-DOMZBBRYSA-N 0 0 276.380 2.546 10 30 CFEERN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000192608096 393627787 /nfs/dbraw/zinc/62/77/87/393627787.db2.gz NWZSCTBCCUQQLT-ZIAGYGMSSA-N 0 0 276.380 2.828 10 30 CFEERN C[C@H]1COCCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000071914498 393640878 /nfs/dbraw/zinc/64/08/78/393640878.db2.gz PPHLFQJYSWEXJN-JTQLQIEISA-N 0 0 287.750 2.985 10 30 CFEERN N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)ccn1 ZINC000193726720 393663423 /nfs/dbraw/zinc/66/34/23/393663423.db2.gz PUDQINHASMLRSP-MRXNPFEDSA-N 0 0 295.317 2.900 10 30 CFEERN CC[C@@H](NC(C)=O)c1cccc(C#C[Si](C)(C)C)n1 ZINC000203253933 393749256 /nfs/dbraw/zinc/74/92/56/393749256.db2.gz SIZWEYSRXSFPQG-CQSZACIVSA-N 0 0 274.440 2.898 10 30 CFEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1cccs1 ZINC000195033826 393728587 /nfs/dbraw/zinc/72/85/87/393728587.db2.gz YYPFZGOXVVMNCH-SECBINFHSA-N 0 0 257.318 2.506 10 30 CFEERN C#Cc1nn([C@@H]2CCCCO2)c2ccc(C(=O)OC)cc12 ZINC000222914848 393764388 /nfs/dbraw/zinc/76/43/88/393764388.db2.gz WGBGOOXJQAFOIN-HNNXBMFYSA-N 0 0 284.315 2.503 10 30 CFEERN CC(C)(CCC#N)CN1CCO[C@@H](c2nccs2)C1 ZINC000092832054 393792761 /nfs/dbraw/zinc/79/27/61/393792761.db2.gz DCLOMIXPDZGMDM-GFCCVEGCSA-N 0 0 279.409 2.846 10 30 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ZINC000042871225 174897909 /nfs/dbraw/zinc/89/79/09/174897909.db2.gz KJQZYRIXDALJMZ-CHWSQXEVSA-N 0 0 291.416 2.648 10 30 CFEERN Cc1ccc(C#N)c(Nc2nc3c(s2)CCC3)n1 ZINC000043399558 175036534 /nfs/dbraw/zinc/03/65/34/175036534.db2.gz JCZLVOCMICQGFI-UHFFFAOYSA-N 0 0 256.334 2.951 10 30 CFEERN COCCN(c1nc(C)ccc1C#N)[C@@H](C)C1CC1 ZINC000043399806 175036569 /nfs/dbraw/zinc/03/65/69/175036569.db2.gz CROYKINTIQCUFE-LBPRGKRZSA-N 0 0 259.353 2.513 10 30 CFEERN C[C@@H](C#N)Oc1ccccc1I ZINC000043515925 175061731 /nfs/dbraw/zinc/06/17/31/175061731.db2.gz IOAAMVUODPMAKH-ZETCQYMHSA-N 0 0 273.073 2.582 10 30 CFEERN CC[C@H](C#N)Oc1ccc2c(c1)OC(C)(C)C[C@H]2O ZINC000043543109 175064201 /nfs/dbraw/zinc/06/42/01/175064201.db2.gz LGKJPOOXAFQBQD-ZWNOBZJWSA-N 0 0 261.321 2.962 10 30 CFEERN OCC#Cc1ccsc1CN1CCc2ccccc21 ZINC000043679184 175089927 /nfs/dbraw/zinc/08/99/27/175089927.db2.gz XCEJZXHKCLNVBV-UHFFFAOYSA-N 0 0 269.369 2.655 10 30 CFEERN Cc1ccc(CN(C)Cc2ccc(C#CCO)s2)o1 ZINC000043679623 175090434 /nfs/dbraw/zinc/09/04/34/175090434.db2.gz ILWMPPSRSZYDHY-UHFFFAOYSA-N 0 0 275.373 2.625 10 30 CFEERN CC(C)c1nccn1Cc1ccc(C#CCCO)s1 ZINC000043682301 175091217 /nfs/dbraw/zinc/09/12/17/175091217.db2.gz JMSQVBCICJYEHM-UHFFFAOYSA-N 0 0 274.389 2.850 10 30 CFEERN CCc1c(C)nn(Cc2sccc2C#CCCO)c1C ZINC000043682371 175091244 /nfs/dbraw/zinc/09/12/44/175091244.db2.gz KXYCJZSMJQKOBW-UHFFFAOYSA-N 0 0 288.416 2.906 10 30 CFEERN COc1cc(C#N)ccc1OCc1ccc(C#CCO)s1 ZINC000043682464 175091285 /nfs/dbraw/zinc/09/12/85/175091285.db2.gz ONZVVZXOCZPYJT-UHFFFAOYSA-N 0 0 299.351 2.551 10 30 CFEERN Cn1ccnc1SCc1sccc1C#CCCO ZINC000043683166 175091358 /nfs/dbraw/zinc/09/13/58/175091358.db2.gz NKALXGWNHHPZJV-UHFFFAOYSA-N 0 0 278.402 2.508 10 30 CFEERN CCc1c(C)nn(Cc2ccc(C#CCCO)s2)c1C ZINC000043682369 175091362 /nfs/dbraw/zinc/09/13/62/175091362.db2.gz BZTMXDNYCVSRLW-UHFFFAOYSA-N 0 0 288.416 2.906 10 30 CFEERN CC(C)N(Cc1cc(C#CCO)cs1)CC(F)(F)F ZINC000043698796 175096548 /nfs/dbraw/zinc/09/65/48/175096548.db2.gz 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298.342 2.914 10 30 CFEERN C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)CCC1=O ZINC000329103795 227298824 /nfs/dbraw/zinc/29/88/24/227298824.db2.gz DJKFVGDEJLUAHL-SNVBAGLBSA-N 0 0 271.320 2.624 10 30 CFEERN O=C(COc1ccsc1Cl)NC[C@@H]1CCC[C@@H]1O ZINC000329171114 227336541 /nfs/dbraw/zinc/33/65/41/227336541.db2.gz KIPOREFJMKRSTC-IUCAKERBSA-N 0 0 289.784 2.898 10 30 CFEERN C[C@]1(C(=O)Nc2cccc(-c3c[nH]nn3)c2)CCCNC1=O ZINC000330310157 228134941 /nfs/dbraw/zinc/13/49/41/228134941.db2.gz NESQPZHGKQOWDB-HNNXBMFYSA-N 0 0 299.334 2.816 10 30 CFEERN N#CC1(Cn2cnnc2C(=O)C2CCCCC2)CCC1 ZINC000333496133 228202204 /nfs/dbraw/zinc/20/22/04/228202204.db2.gz HIFHXPVVDZKMJY-UHFFFAOYSA-N 0 0 272.352 2.735 10 30 CFEERN Cc1nn(C)c(OCc2ccc(Cl)cc2)c1C#N ZINC000087093814 259085284 /nfs/dbraw/zinc/08/52/84/259085284.db2.gz FMUMIDIVECPUTC-UHFFFAOYSA-N 0 0 261.712 2.833 10 30 CFEERN CC(C)(C#N)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000070139304 260152191 /nfs/dbraw/zinc/15/21/91/260152191.db2.gz ZIYTZYBIYBKUEX-UHFFFAOYSA-N 0 0 291.439 2.793 10 30 CFEERN C[C@@H](COCc1ccccc1)NC(=O)C1(C#N)CCCC1 ZINC000172960091 261154698 /nfs/dbraw/zinc/15/46/98/261154698.db2.gz VIFFEPPDXLASEO-AWEZNQCLSA-N 0 0 286.375 2.792 10 30 CFEERN CC(C)COc1ccc([C@@H](C)NC(=O)CC#N)cc1 ZINC000188088361 262147955 /nfs/dbraw/zinc/14/79/55/262147955.db2.gz DFCWVQKBEAYKMI-GFCCVEGCSA-N 0 0 260.337 2.812 10 30 CFEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1O ZINC000188512476 262305140 /nfs/dbraw/zinc/30/51/40/262305140.db2.gz IDICZAIHBUHBSF-CYBMUJFWSA-N 0 0 282.299 2.834 10 30 CFEERN COc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889020 262405326 /nfs/dbraw/zinc/40/53/26/262405326.db2.gz VCCJNZABWREWRT-SKDRFNHKSA-N 0 0 278.739 2.771 10 30 CFEERN C=CCCS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000121196484 263293038 /nfs/dbraw/zinc/29/30/38/263293038.db2.gz SMOCEDQIRPAQJP-NSHDSACASA-N 0 0 286.422 2.576 10 30 CFEERN C[C@H](CC(=O)NC[C@@H]1CCO[C@H](C)C1)N1CCCCC1=O ZINC000328728418 263861680 /nfs/dbraw/zinc/86/16/80/263861680.db2.gz DVTRZRYZBJGMLV-MGPQQGTHSA-N 0 0 296.411 2.549 10 30 CFEERN C=CCCO[C@H](C)C(=O)N1CCCc2c(N)cccc21 ZINC000126618621 264216886 /nfs/dbraw/zinc/21/68/86/264216886.db2.gz XHDCZSZRRIOHSH-GFCCVEGCSA-N 0 0 274.364 2.529 10 30 CFEERN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000130311261 264346664 /nfs/dbraw/zinc/34/66/64/264346664.db2.gz RPHFMXXSIHMGJA-HIFRSBDPSA-N 0 0 259.349 2.769 10 30 CFEERN C#CCCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180369089 264402692 /nfs/dbraw/zinc/40/26/92/264402692.db2.gz AFQOLGQHMRVNSW-CABCVRRESA-N 0 0 289.375 2.888 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189584662 267287390 /nfs/dbraw/zinc/28/73/90/267287390.db2.gz OMMOYGSCOGXWPN-DGCLKSJQSA-N 0 0 258.321 2.620 10 30 CFEERN C#Cc1cccc(N2C(=O)[C@@H]3C[C@@H](C)CC[C@@H]3C2=O)c1 ZINC000100394315 275388327 /nfs/dbraw/zinc/38/83/27/275388327.db2.gz CZBVMUVONLBKJE-TUKIKUTGSA-N 0 0 267.328 2.594 10 30 CFEERN CC#CC#C/C=C1\C=C[C@@]2(OC=C[C@H]2OC(=O)C=C(C)C)O1 ZINC000031165732 276929474 /nfs/dbraw/zinc/92/94/74/276929474.db2.gz 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268.357 2.511 10 30 CFEERN C[C@H](C#N)N1CCC2(CC1)OCCc1ccsc12 ZINC000336390385 289239802 /nfs/dbraw/zinc/23/98/02/289239802.db2.gz OMYPKCJGRWQKHY-LLVKDONJSA-N 0 0 262.378 2.524 10 30 CFEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)O1 ZINC000153279415 289864915 /nfs/dbraw/zinc/86/49/15/289864915.db2.gz TUTHREPSJNKOAK-UFBFGSQYSA-N 0 0 264.712 2.718 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000336583519 294838459 /nfs/dbraw/zinc/83/84/59/294838459.db2.gz WACNGCBRUDXUEK-SCZZXKLOSA-N 0 0 283.253 2.522 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000061890879 294838582 /nfs/dbraw/zinc/83/85/82/294838582.db2.gz XVZXTWQWGJKPMI-MFKMUULPSA-N 0 0 253.305 2.590 10 30 CFEERN N#Cc1cccc(Cl)c1N1CCC[C@H](n2cncn2)C1 ZINC000266150007 294961390 /nfs/dbraw/zinc/96/13/90/294961390.db2.gz WSBWPBCVIBPVLO-LBPRGKRZSA-N 0 0 287.754 2.645 10 30 CFEERN Cc1cc2c(cc1F)C(=O)N[C@@]1(CCC[C@@H](C#N)C1)N2 ZINC000334868312 301449587 /nfs/dbraw/zinc/44/95/87/301449587.db2.gz QDYXWFPWDYQCSO-MEBBXXQBSA-N 0 0 273.311 2.700 10 30 CFEERN C#CCCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173512074 329148576 /nfs/dbraw/zinc/14/85/76/329148576.db2.gz GWAQXYMUTLZPKZ-CYBMUJFWSA-N 0 0 291.420 2.754 10 30 CFEERN CCCCCCCC(=O)N[C@H]1CCCn2ncnc21 ZINC000177538468 329185461 /nfs/dbraw/zinc/18/54/61/329185461.db2.gz RZVYITOEYDYHLB-LBPRGKRZSA-N 0 0 264.373 2.590 10 30 CFEERN C#Cc1cccc(NC(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000179453532 329205308 /nfs/dbraw/zinc/20/53/08/329205308.db2.gz GFMSPZVPUYROMA-UHFFFAOYSA-N 0 0 285.343 2.586 10 30 CFEERN CC#CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181496931 329233903 /nfs/dbraw/zinc/23/39/03/329233903.db2.gz ZNCUPHKOYBKOOK-DOMZBBRYSA-N 0 0 256.349 2.551 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249525590 329907479 /nfs/dbraw/zinc/90/74/79/329907479.db2.gz YCVMPDCAFRKSPB-NWANDNLSSA-N 0 0 293.432 2.885 10 30 CFEERN CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000080616010 330144920 /nfs/dbraw/zinc/14/49/20/330144920.db2.gz UQLSRDXWWZYYBO-DGCLKSJQSA-N 0 0 260.362 2.831 10 30 CFEERN C=C[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000187516192 333172121 /nfs/dbraw/zinc/17/21/21/333172121.db2.gz PZBYRNJCBBUEMY-GHMZBOCLSA-N 0 0 269.341 2.504 10 30 CFEERN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)o1 ZINC000193644254 333254540 /nfs/dbraw/zinc/25/45/40/333254540.db2.gz RLJWBUYSFJOSLI-CYBMUJFWSA-N 0 0 289.379 2.581 10 30 CFEERN C=C[C@H](CC(=O)N1[C@@H](C)COC[C@@H]1C)c1ccccc1 ZINC000135566234 334133436 /nfs/dbraw/zinc/13/34/36/334133436.db2.gz OXJNNXSYRQXOOE-SOUVJXGZSA-N 0 0 273.376 2.982 10 30 CFEERN C=CCOc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000135965325 334142507 /nfs/dbraw/zinc/14/25/07/334142507.db2.gz CXZYFNDDFPEQKW-HZPDHXFCSA-N 0 0 289.375 2.675 10 30 CFEERN C=CCN(Cc1nnc(C)n1CC)Cc1ccccc1F ZINC000195102322 336045540 /nfs/dbraw/zinc/04/55/40/336045540.db2.gz LMNLRNYAULVFLV-UHFFFAOYSA-N 0 0 288.370 2.934 10 30 CFEERN CCCNc1ncccc1CN(CC)C[C@H](C)C#N ZINC000052729670 520193460 /nfs/dbraw/zinc/19/34/60/520193460.db2.gz DKKSAFOUYKMBTD-CYBMUJFWSA-N 0 0 260.385 2.885 10 30 CFEERN C#CCNc1cccc(Br)c1COC ZINC000050522020 518293721 /nfs/dbraw/zinc/29/37/21/518293721.db2.gz ACIWAJOKDNKNDT-UHFFFAOYSA-N 0 0 254.127 2.641 10 30 CFEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000069327421 518705394 /nfs/dbraw/zinc/70/53/94/518705394.db2.gz NHCGLQQPTKKUGK-JSGCOSHPSA-N 0 0 275.348 2.608 10 30 CFEERN C=CCN1CCN(C(=O)C(CC)CC)c2cccnc21 ZINC000064663130 518858696 /nfs/dbraw/zinc/85/86/96/518858696.db2.gz XLBOZZHKUGKJFI-UHFFFAOYSA-N 0 0 273.380 2.857 10 30 CFEERN C=CCN[C@H](C(=O)OC)c1ccc(Br)s1 ZINC000051961584 518959729 /nfs/dbraw/zinc/95/97/29/518959729.db2.gz PNFVFRQTLCNVPS-VIFPVBQESA-N 0 0 290.182 2.500 10 30 CFEERN CC(C)(C)[C@@H](O)CNc1cc(C#N)c2ccccc2n1 ZINC000324500103 518933108 /nfs/dbraw/zinc/93/31/08/518933108.db2.gz NSSHMNCTOKELKP-AWEZNQCLSA-N 0 0 269.348 2.925 10 30 CFEERN CC(C)CC[C@@H](C)NC(=O)c1ccc(C#CCO)cc1F ZINC000069235746 519681655 /nfs/dbraw/zinc/68/16/55/519681655.db2.gz TYYVRIFIAQPYDT-CYBMUJFWSA-N 0 0 291.366 2.724 10 30 CFEERN CC(C)[C@H](C)N(C)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789369 519811905 /nfs/dbraw/zinc/81/19/05/519811905.db2.gz RRPSROSLCRZWAL-VIFPVBQESA-N 0 0 269.776 2.915 10 30 CFEERN CCCCCCCNc1ccc(=O)n(CCOC)c1 ZINC000059469076 520059331 /nfs/dbraw/zinc/05/93/31/520059331.db2.gz FEVMGTMTVJXGAX-UHFFFAOYSA-N 0 0 266.385 2.877 10 30 CFEERN CCCNc1cc(CN(CC)C[C@H](C)C#N)ccn1 ZINC000052729701 520136423 /nfs/dbraw/zinc/13/64/23/520136423.db2.gz FJZFEAWCHQNFCL-CYBMUJFWSA-N 0 0 260.385 2.885 10 30 CFEERN CCCCC[C@H](C)NC(=O)c1cc(C#CCO)ccc1F ZINC000049105677 520306774 /nfs/dbraw/zinc/30/67/74/520306774.db2.gz OWYSZLDPBFSYEZ-ZDUSSCGKSA-N 0 0 291.366 2.868 10 30 CFEERN CCNc1ccnc(C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000050771550 520348405 /nfs/dbraw/zinc/34/84/05/520348405.db2.gz BXIWPWCLWPKLQU-UHFFFAOYSA-N 0 0 280.331 2.946 10 30 CFEERN CCNc1ncccc1C(=O)Nc1cc(C#N)ccc1C ZINC000050771554 520375702 /nfs/dbraw/zinc/37/57/02/520375702.db2.gz ULBOPXZCSUAZTQ-UHFFFAOYSA-N 0 0 280.331 2.946 10 30 CFEERN CCCC[C@@H](C)NC(=O)c1cc(F)ccc1C#CCCO ZINC000050890963 521006526 /nfs/dbraw/zinc/00/65/26/521006526.db2.gz CYKVPCSFHLZQHF-CYBMUJFWSA-N 0 0 291.366 2.868 10 30 CFEERN COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1O ZINC000051090890 522007963 /nfs/dbraw/zinc/00/79/63/522007963.db2.gz PWZFZUPDBHKSKN-SXGWCWSVSA-N 0 0 282.303 2.723 10 30 CFEERN CC[C@H](NC(=O)c1cc(C#CCCO)ccc1F)C(C)C ZINC000049148492 522520748 /nfs/dbraw/zinc/52/07/48/522520748.db2.gz FTHYHZPOOPASNK-INIZCTEOSA-N 0 0 291.366 2.724 10 30 CFEERN CNc1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000050728336 522600136 /nfs/dbraw/zinc/60/01/36/522600136.db2.gz MALFILRIOUGFAD-UHFFFAOYSA-N 0 0 251.289 2.852 10 30 CFEERN COc1cc(Nc2ccnc(C#N)c2)cc(OC)c1OC ZINC000061814787 522768144 /nfs/dbraw/zinc/76/81/44/522768144.db2.gz LASMSSUWEWYVEJ-UHFFFAOYSA-N 0 0 285.303 2.723 10 30 CFEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C(C)C ZINC000077387300 522902243 /nfs/dbraw/zinc/90/22/43/522902243.db2.gz RMQOVDNOAYHWAS-CYBMUJFWSA-N 0 0 280.393 2.580 10 30 CFEERN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#CCO)cc1 ZINC000049124626 523059615 /nfs/dbraw/zinc/05/96/15/523059615.db2.gz XBELUWAHCRHRAZ-DOTOQJQBSA-N 0 0 285.387 2.729 10 30 CFEERN COc1ccc(-c2nc(CC#N)cs2)cc1OC ZINC000061798186 523195492 /nfs/dbraw/zinc/19/54/92/523195492.db2.gz UYSVLHUBFXHDGB-UHFFFAOYSA-N 0 0 260.318 2.893 10 30 CFEERN CN(Cc1ccc(C#CCO)s1)c1ccc(F)cc1 ZINC000049965528 523206852 /nfs/dbraw/zinc/20/68/52/523206852.db2.gz CVEFIFHGODHHDT-UHFFFAOYSA-N 0 0 275.348 2.867 10 30 CFEERN CC[C@H]1COCCN1c1ccc(C#N)cc1Cl ZINC000062793686 523337619 /nfs/dbraw/zinc/33/76/19/523337619.db2.gz WKULIDAYXLQTAR-NSHDSACASA-N 0 0 250.729 2.827 10 30 CFEERN Cc1ccc(CCC(=O)N(CCC#N)C2CC2)cc1 ZINC000052945866 524283113 /nfs/dbraw/zinc/28/31/13/524283113.db2.gz NSBCHTBZTLHXMV-UHFFFAOYSA-N 0 0 256.349 2.832 10 30 CFEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000230058144 524322604 /nfs/dbraw/zinc/32/26/04/524322604.db2.gz NXVASFAOHGJBKD-YGRLFVJLSA-N 0 0 253.305 2.805 10 30 CFEERN Cc1ccc(CNC(=O)c2ccc(C#CCCO)cc2)s1 ZINC000050227081 524557070 /nfs/dbraw/zinc/55/70/70/524557070.db2.gz XMRUZHITBQVZDA-UHFFFAOYSA-N 0 0 299.395 2.720 10 30 CFEERN Cc1cccc(OCc2cccc(C#CCO)c2)c1 ZINC000049620334 524766569 /nfs/dbraw/zinc/76/65/69/524766569.db2.gz YXHIGHQFULBTBQ-UHFFFAOYSA-N 0 0 252.313 2.918 10 30 CFEERN COc1ncccc1CN[C@@H]1CCCCC[C@@H]1C#N ZINC000054825487 525059356 /nfs/dbraw/zinc/05/93/56/525059356.db2.gz FSJVOPNCQYCZTN-TZMCWYRMSA-N 0 0 259.353 2.652 10 30 CFEERN C[C@H](NC(=O)c1cccs1)c1ccc(C#CCCO)cc1 ZINC000049589466 525249225 /nfs/dbraw/zinc/24/92/25/525249225.db2.gz GWALNDHBZOHYTB-ZDUSSCGKSA-N 0 0 299.395 2.973 10 30 CFEERN C[C@H](NC(=O)c1ccsc1)c1ccc(C#CCO)cc1 ZINC000049588512 525257790 /nfs/dbraw/zinc/25/77/90/525257790.db2.gz UNTRWYXICJPFNS-LBPRGKRZSA-N 0 0 285.368 2.583 10 30 CFEERN C[C@]1(Nc2nc(C(F)(F)F)ccc2C#N)CCCOC1 ZINC000221179926 525300953 /nfs/dbraw/zinc/30/09/53/525300953.db2.gz ITHWCZWTXWYTTH-LBPRGKRZSA-N 0 0 285.269 2.953 10 30 CFEERN C[C@@H](NC(=O)c1ccsc1)c1cccc(C#CCO)c1 ZINC000049588944 525369833 /nfs/dbraw/zinc/36/98/33/525369833.db2.gz UVAYTACPVSFDFK-GFCCVEGCSA-N 0 0 285.368 2.583 10 30 CFEERN Cc1ccc(Oc2ccnc(/C(N)=N/O)c2)c(C)c1 ZINC000061813988 525478607 /nfs/dbraw/zinc/47/86/07/525478607.db2.gz PGSVKYZWCWXOPQ-UHFFFAOYSA-N 0 0 257.293 2.585 10 30 CFEERN Cc1ccc(C#N)cc1-n1c(N)cc2ccccc2c1=O ZINC000050436555 525995288 /nfs/dbraw/zinc/99/52/88/525995288.db2.gz BKQCIJPGTFECEY-UHFFFAOYSA-N 0 0 275.311 2.753 10 30 CFEERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C#N)c2)o1 ZINC000235258567 526128499 /nfs/dbraw/zinc/12/84/99/526128499.db2.gz AWTRSBABIQZYGB-SECBINFHSA-N 0 0 272.264 2.936 10 30 CFEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(F)cc1C#N ZINC000081567431 526189429 /nfs/dbraw/zinc/18/94/29/526189429.db2.gz PPJPBMOFHJVIFS-LLVKDONJSA-N 0 0 292.354 2.859 10 30 CFEERN Cc1nn(Cc2ccccc2C#CCO)c(C)c1Cl ZINC000050587911 526295996 /nfs/dbraw/zinc/29/59/96/526295996.db2.gz QOYLLHOVEIKUIW-UHFFFAOYSA-N 0 0 274.751 2.545 10 30 CFEERN Cc1csc([C@@H]2CN(Cc3cccc(C#N)c3)CCO2)n1 ZINC000157065618 526423082 /nfs/dbraw/zinc/42/30/82/526423082.db2.gz ARQWDZXIKIOHRB-HNNXBMFYSA-N 0 0 299.399 2.897 10 30 CFEERN N#CCCCCN1C(=O)C(=O)c2ccc(Cl)cc21 ZINC000049578698 526442822 /nfs/dbraw/zinc/44/28/22/526442822.db2.gz YVMVLHYMBANBDE-UHFFFAOYSA-N 0 0 262.696 2.563 10 30 CFEERN N#CCCN(Cc1ccc(N)nc1)c1ccccc1 ZINC000050812339 526456661 /nfs/dbraw/zinc/45/66/61/526456661.db2.gz KTUNVFNZDROVRZ-UHFFFAOYSA-N 0 0 252.321 2.584 10 30 CFEERN N#C[C@@H](c1csc2ccccc12)N1CCOCC1 ZINC000054465756 526497990 /nfs/dbraw/zinc/49/79/90/526497990.db2.gz GAIOZWYSNIIQED-ZDUSSCGKSA-N 0 0 258.346 2.798 10 30 CFEERN N#C[C@@H]1CCCCC[C@@H]1Sc1ncnc2[nH]cnc21 ZINC000051036470 526499948 /nfs/dbraw/zinc/49/99/48/526499948.db2.gz SQHMZJZAKZLTHC-UWVGGRQHSA-N 0 0 273.365 2.917 10 30 CFEERN N#Cc1cc(NC(=O)N[C@H]2COc3ccccc32)ccc1F ZINC000171086499 526568977 /nfs/dbraw/zinc/56/89/77/526568977.db2.gz CCGDNUFCHDKVKH-AWEZNQCLSA-N 0 0 297.289 2.953 10 30 CFEERN N#Cc1cc(Sc2nc3ccccc3[nH]2)ccn1 ZINC000061815491 526576380 /nfs/dbraw/zinc/57/63/80/526576380.db2.gz YAHUZGLQGRRTES-UHFFFAOYSA-N 0 0 252.302 2.981 10 30 CFEERN N#Cc1ccc(-c2nc3ccccc3s2)nc1N ZINC000050871176 526584056 /nfs/dbraw/zinc/58/40/56/526584056.db2.gz NACIGAXKBWPIRX-UHFFFAOYSA-N 0 0 252.302 2.812 10 30 CFEERN N#Cc1ccc(N2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000062791535 526644157 /nfs/dbraw/zinc/64/41/57/526644157.db2.gz PLTZBVHARPMMQK-GFCCVEGCSA-N 0 0 264.756 2.953 10 30 CFEERN N#Cc1ccc(NC(=O)CCc2ccccn2)cc1 ZINC000049462952 526650673 /nfs/dbraw/zinc/65/06/73/526650673.db2.gz XIOSULSYWMYMGY-UHFFFAOYSA-N 0 0 251.289 2.525 10 30 CFEERN N#Cc1cccc(-n2nc(C(F)F)c(CO)c2Cl)c1 ZINC000061629125 526694835 /nfs/dbraw/zinc/69/48/35/526694835.db2.gz ZVDWKCVFRPVNNX-UHFFFAOYSA-N 0 0 283.665 2.827 10 30 CFEERN O=C(NCc1cccc(C#CCO)c1)c1cccc(Cl)c1 ZINC000049588142 526710581 /nfs/dbraw/zinc/71/05/81/526710581.db2.gz BPDXNURZHGXEOW-UHFFFAOYSA-N 0 0 299.757 2.614 10 30 CFEERN N#Cc1cccc(OCc2ccccc2C#CCCO)c1 ZINC000049620702 526729717 /nfs/dbraw/zinc/72/97/17/526729717.db2.gz KGTBHOCCZMHKLC-UHFFFAOYSA-N 0 0 277.323 2.871 10 30 CFEERN N#Cc1cnc2c(F)ccc(Br)c2c1N ZINC000050842935 526776378 /nfs/dbraw/zinc/77/63/78/526776378.db2.gz UQTHOJVULCFWOX-UHFFFAOYSA-N 0 0 266.073 2.590 10 30 CFEERN N#Cc1nc(NCCC2=CCOCC2)ccc1Cl ZINC000158076179 526787582 /nfs/dbraw/zinc/78/75/82/526787582.db2.gz OTOJCJWSAJGRCQ-UHFFFAOYSA-N 0 0 263.728 2.755 10 30 CFEERN O=C(Nc1cc(C#CCO)ccc1Cl)c1ccccc1 ZINC000061691558 527102397 /nfs/dbraw/zinc/10/23/97/527102397.db2.gz XTVAPXCEVQROIQ-UHFFFAOYSA-N 0 0 285.730 2.936 10 30 CFEERN CC(C)(C#N)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000336629434 527488130 /nfs/dbraw/zinc/48/81/30/527488130.db2.gz WZCFXLKCKNQDLX-CYBMUJFWSA-N 0 0 272.396 2.701 10 30 CFEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000329273388 527806774 /nfs/dbraw/zinc/80/67/74/527806774.db2.gz APYSTZPYGZVHKS-IJLUTSLNSA-N 0 0 268.357 2.513 10 30 CFEERN CCCCCCCCc1c(C)nc(NCCO)[nH]c1=O ZINC000098048993 528133174 /nfs/dbraw/zinc/13/31/74/528133174.db2.gz AIMWOPAEPNULSP-UHFFFAOYSA-N 0 0 281.400 2.798 10 30 CFEERN CCc1cc(C#N)c(NC(=O)[C@@H]2CCCO[C@@H]2C)s1 ZINC000191882384 536097017 /nfs/dbraw/zinc/09/70/17/536097017.db2.gz VHTHPXPMNNMNQG-BXKDBHETSA-N 0 0 278.377 2.936 10 30 CFEERN COC(=O)[C@@H]1O[C@@]1(C)c1cccc(Cl)c1Cl ZINC000234566689 545498650 /nfs/dbraw/zinc/49/86/50/545498650.db2.gz FTZVCXHNVWOEEV-ONGXEEELSA-N 0 0 261.104 2.780 10 30 CFEERN O=C1c2c(cc(O)c3c2OCO3)O/C1=C\c1ccccc1 ZINC000000897724 560179061 /nfs/dbraw/zinc/17/90/61/560179061.db2.gz KLYHONUCJQKOKE-SDQBBNPISA-N 0 0 282.251 2.737 10 30 in-vitro CFEERN CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@@]21CO1 ZINC000004098311 560195431 /nfs/dbraw/zinc/19/54/31/560195431.db2.gz HNEGCRMUYSKRRR-NWHWRWDZSA-N 0 0 292.375 2.611 10 30 biogenic,in-vitro CFEERN CC(C)=CC(=O)C[C@](C)(O)CCC(=O)c1ccoc1 ZINC000013374013 571699093 /nfs/dbraw/zinc/69/90/93/571699093.db2.gz GENURIBYATWERM-OAHLLOKOSA-N 0 0 264.321 2.919 10 30 endogenous,in-man CFEERN N#C[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)C1CC1 ZINC000176063403 617757644 /nfs/dbraw/zinc/75/76/44/617757644.db2.gz MUCJTEDNYHEVKJ-OAHLLOKOSA-N 0 0 255.317 2.563 10 30 CFEERN N#Cc1c(N)[nH]c(Br)c1C1CCCC1 ZINC000757171653 617865459 /nfs/dbraw/zinc/86/54/59/617865459.db2.gz VCXOANKEBHRVLX-UHFFFAOYSA-N 0 0 254.131 2.889 10 30 CFEERN N#CCN(C1CCCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255550931 618104498 /nfs/dbraw/zinc/10/44/98/618104498.db2.gz ULLSAMXSRJQIML-RAXLEYEMSA-N 0 0 290.388 2.755 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000061890276 618140583 /nfs/dbraw/zinc/14/05/83/618140583.db2.gz VDUXGPOATAOQBO-IONNQARKSA-N 0 0 284.146 2.810 10 30 CFEERN N#Cc1ccccc1/C=C\C(=O)N[C@@H]1COc2ccccc21 ZINC000255753904 618276194 /nfs/dbraw/zinc/27/61/94/618276194.db2.gz CBEJAYWXGVHXTJ-ZBTGYSDGSA-N 0 0 290.322 2.821 10 30 CFEERN C#CCOC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000077650613 618683397 /nfs/dbraw/zinc/68/33/97/618683397.db2.gz JGSLNLMASMDLJG-RKDXNWHRSA-N 0 0 252.672 2.759 10 30 CFEERN N#Cc1cccc(NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000058514661 623050765 /nfs/dbraw/zinc/05/07/65/623050765.db2.gz SNDPSGFMUSRLFA-AWEZNQCLSA-N 0 0 279.299 2.813 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000061890274 623240397 /nfs/dbraw/zinc/24/03/97/623240397.db2.gz VDUXGPOATAOQBO-VXNVDRBHSA-N 0 0 284.146 2.810 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1occc1Br ZINC000230686736 623293390 /nfs/dbraw/zinc/29/33/90/623293390.db2.gz FQUDBCJIMDUIDM-SCZZXKLOSA-N 0 0 269.142 2.824 10 30 CFEERN C[C@H](OC(=O)c1cccc(C#N)c1)C1CCOCC1 ZINC000151536940 623466681 /nfs/dbraw/zinc/46/66/81/623466681.db2.gz BLUQYFUDYKPREK-NSHDSACASA-N 0 0 259.305 2.530 10 30 CFEERN C=CCN(C)C(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000154232337 624295764 /nfs/dbraw/zinc/29/57/64/624295764.db2.gz CRTALSJLIXHEQD-MRXNPFEDSA-N 0 0 296.411 2.811 10 30 CFEERN C=C(C)CNC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000154407971 624345132 /nfs/dbraw/zinc/34/51/32/624345132.db2.gz UUJSZPFDXAVUSH-MRXNPFEDSA-N 0 0 296.411 2.858 10 30 CFEERN C#Cc1cccc(N(C)C[C@@H](O)COCc2ccccc2)c1 ZINC000103230063 626510412 /nfs/dbraw/zinc/51/04/12/626510412.db2.gz YCEZJSDODOOJNS-LJQANCHMSA-N 0 0 295.382 2.682 10 30 CFEERN C=CCc1cc(OC)ccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121434488 629980933 /nfs/dbraw/zinc/98/09/33/629980933.db2.gz GNZUUSIYOTWQOO-NHYWBVRUSA-N 0 0 276.332 2.897 10 30 CFEERN O=C1Nc2cc(F)c(Br)cc2[C@@H]1S ZINC000757160936 630875826 /nfs/dbraw/zinc/87/58/26/630875826.db2.gz SXZSTWCSEYQCCI-ZETCQYMHSA-N 0 0 262.103 2.511 10 30 CFEERN C#CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000156164484 650046400 /nfs/dbraw/zinc/04/64/00/650046400.db2.gz WQPHPUWTGQGULJ-QWHCGFSZSA-N 0 0 277.314 2.988 10 30 CFEERN C=CCOc1ccc(OC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000158025378 650220359 /nfs/dbraw/zinc/22/03/59/650220359.db2.gz VBRSAIKZVNOUFH-FZMZJTMJSA-N 0 0 262.305 2.724 10 30 CFEERN C#CCOCCC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000159156735 650249428 /nfs/dbraw/zinc/24/94/28/650249428.db2.gz PWXXDMYIWBWWAU-NSHDSACASA-N 0 0 265.740 2.557 10 30 CFEERN C=CCOc1ccc(C(=O)O[C@@H](C)[C@@H]2CCOC2)cc1 ZINC000079175415 650567352 /nfs/dbraw/zinc/56/73/52/650567352.db2.gz UFYYHUGAVFCTOC-GXTWGEPZSA-N 0 0 276.332 2.833 10 30 CFEERN C[C@H]1CC[C@@H](C(=O)OCC#Cc2ccc(Cl)cc2)O1 ZINC000126117196 642977705 /nfs/dbraw/zinc/97/77/05/642977705.db2.gz NSGAFDWWUCJYHD-FZMZJTMJSA-N 0 0 278.735 2.802 10 30 CFEERN C=CCC[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000089318862 650836308 /nfs/dbraw/zinc/83/63/08/650836308.db2.gz MVRGNXBFFFZXIW-NWDGAFQWSA-N 0 0 271.357 2.655 10 30 CFEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2C2CC2)c1 ZINC000246105036 650853827 /nfs/dbraw/zinc/85/38/27/650853827.db2.gz IYCORDXSIGBKAN-RRFJBIMHSA-N 0 0 282.343 2.689 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)O1 ZINC000248296651 650930225 /nfs/dbraw/zinc/93/02/25/650930225.db2.gz YZYBEAVDBPXBFD-NRUUGDAUSA-N 0 0 270.288 2.572 10 30 CFEERN Cc1cnc([C@@H](C)NCc2ccc(OCC#N)cc2)o1 ZINC000220934554 647166011 /nfs/dbraw/zinc/16/60/11/647166011.db2.gz RNOCJGDHDWMWJS-GFCCVEGCSA-N 0 0 271.320 2.736 10 30 CFEERN O=C1C=Cc2ccccc2C1=NNc1cccc(O)c1 ZINC000095628836 185016998 /nfs/dbraw/zinc/01/69/98/185016998.db2.gz IRYBTNKMPSWWLW-FBMGVBCBSA-N 0 0 264.284 2.804 10 30 CFEERN N#Cc1cccc(OC2CC2)c1I ZINC000095736227 185023516 /nfs/dbraw/zinc/02/35/16/185023516.db2.gz WNOFKBJYHFMSJD-UHFFFAOYSA-N 0 0 285.084 2.704 10 30 CFEERN Cc1cc(/C=C\C(=O)c2cc3ccccc3oc2=O)n(C)n1 ZINC000096854214 185116889 /nfs/dbraw/zinc/11/68/89/185116889.db2.gz RWHICULDEDISTG-FPLPWBNLSA-N 0 0 294.310 2.731 10 30 CFEERN CCn1cc(/C=C\C(=O)c2cc3ccccc3oc2=O)cn1 ZINC000096854256 185116943 /nfs/dbraw/zinc/11/69/43/185116943.db2.gz ASLVRAOHFHMRPR-FPLPWBNLSA-N 0 0 294.310 2.906 10 30 CFEERN N#Cc1cc(F)ccc1NC(=O)c1ccccc1N ZINC000126147179 187220371 /nfs/dbraw/zinc/22/03/71/187220371.db2.gz UVIPKIFNEQOTKW-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN CCc1cnc(CNC(=O)C[C@@H]2CCCCC(=O)N2)o1 ZINC000329379456 529637666 /nfs/dbraw/zinc/63/76/66/529637666.db2.gz NARUIICRCVDYCV-JTQLQIEISA-N 0 0 279.340 2.983 10 30 CFEERN C[C@@H](C#N)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334633774 295695228 /nfs/dbraw/zinc/69/52/28/295695228.db2.gz HPDWKVRKTOFKRX-WDEREUQCSA-N 0 0 276.302 2.579 10 30 CFEERN O=C(NO)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000226289875 295702592 /nfs/dbraw/zinc/70/25/92/295702592.db2.gz KHKSFRCXJXKXNN-UHFFFAOYSA-N 0 0 272.669 2.582 10 30 CFEERN CN(C)c1nc2ccc(NC(=O)C[C@@H]3CCOC3)cc2o1 ZINC000330234637 529805160 /nfs/dbraw/zinc/80/51/60/529805160.db2.gz SRNKFFPKOVZAFW-JTQLQIEISA-N 0 0 289.335 2.908 10 30 CFEERN CC(=O)c1ccc(C#N)c(N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000273225585 192080540 /nfs/dbraw/zinc/08/05/40/192080540.db2.gz QDKJZOGIMFKTLY-MRXNPFEDSA-N 0 0 294.358 2.836 10 30 CFEERN CC(=O)/C=C/c1cccc(I)c1 ZINC000005159270 346210240 /nfs/dbraw/zinc/21/02/40/346210240.db2.gz RGBCUACNFYSDCG-AATRIKPKSA-N 0 0 272.085 2.893 10 30 CFEERN C=CCOC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000032233149 346301518 /nfs/dbraw/zinc/30/15/18/346301518.db2.gz YQJMMNNTFREUTK-UHFFFAOYSA-N 0 0 252.138 2.725 10 30 CFEERN CN(C)[C@H](C#N)c1ccc(F)c(Br)c1 ZINC000037354920 346329572 /nfs/dbraw/zinc/32/95/72/346329572.db2.gz YPFNLYUUQIXJPF-SNVBAGLBSA-N 0 0 257.106 2.714 10 30 CFEERN Cc1ccc(S(=O)(=O)c2cccc(F)c2C#N)cc1 ZINC000034460562 346317552 /nfs/dbraw/zinc/31/75/52/346317552.db2.gz RMCLUOQFSAFCLP-UHFFFAOYSA-N 0 0 275.304 2.839 10 30 CFEERN C#CCNc1nc2cc(OC(F)(F)F)ccc2n1CC#C ZINC000034619699 346318165 /nfs/dbraw/zinc/31/81/65/346318165.db2.gz KPGJXEBCBROSMU-UHFFFAOYSA-N 0 0 293.248 2.613 10 30 CFEERN N#Cc1ccc(/C=C/I)cc1 ZINC000034543482 346318435 /nfs/dbraw/zinc/31/84/35/346318435.db2.gz XOAMKTRRHJIJDB-AATRIKPKSA-N 0 0 255.058 2.964 10 30 CFEERN C[C@H](C#N)C(=O)c1ccc(Br)cc1F ZINC000036931607 346325124 /nfs/dbraw/zinc/32/51/24/346325124.db2.gz NNFFBCGVIFPVPC-ZCFIWIBFSA-N 0 0 256.074 2.931 10 30 CFEERN C#CCNc1nc2ccc(OC(F)(F)F)cc2n1CC#C ZINC000043130111 346379182 /nfs/dbraw/zinc/37/91/82/346379182.db2.gz VHCDRXQWPNCYOF-UHFFFAOYSA-N 0 0 293.248 2.613 10 30 CFEERN O=C[C@H]1CCCCN1Cc1ccc(Br)o1 ZINC000054238318 346564093 /nfs/dbraw/zinc/56/40/93/346564093.db2.gz MMAZPAUZGJGTMP-SECBINFHSA-N 0 0 272.142 2.596 10 30 CFEERN C[C@H](Sc1cccc(Br)c1)/C(N)=N/O ZINC000055307879 346586473 /nfs/dbraw/zinc/58/64/73/346586473.db2.gz VQXOECVXPUHRAC-LURJTMIESA-N 0 0 275.171 2.676 10 30 CFEERN O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000060107251 346659833 /nfs/dbraw/zinc/65/98/33/346659833.db2.gz NNIKJIGHYGPNRE-UHFFFAOYSA-N 0 0 269.566 2.794 10 30 CFEERN C=CCCCN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000076650412 347146334 /nfs/dbraw/zinc/14/63/34/347146334.db2.gz URDIRGRRVJVASQ-ZDUSSCGKSA-N 0 0 289.379 2.621 10 30 CFEERN CCOC(=O)CC[C@@H](C)Nc1ccc(F)cc1C#N ZINC000089652060 347524977 /nfs/dbraw/zinc/52/49/77/347524977.db2.gz ASTUYNBOAGUHJV-SNVBAGLBSA-N 0 0 264.300 2.841 10 30 CFEERN CCOC(=O)CC[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000089652071 347525214 /nfs/dbraw/zinc/52/52/14/347525214.db2.gz GKODQRMYGAACCA-SECBINFHSA-N 0 0 282.290 2.980 10 30 CFEERN C=CC[C@H](C)n1cc(N)c(C)c(Br)c1=O ZINC000725249384 539566587 /nfs/dbraw/zinc/56/65/87/539566587.db2.gz HPEVVBNZBLMZOU-ZETCQYMHSA-N 0 0 271.158 2.639 10 30 CFEERN Cc1cc(I)c(C#N)cc1C ZINC000118342564 347796852 /nfs/dbraw/zinc/79/68/52/347796852.db2.gz FDJYANABENVBIC-UHFFFAOYSA-N 0 0 257.074 2.780 10 30 CFEERN O=C1COC(=O)N1CCCC#Cc1cccc2ccccc12 ZINC000118832845 347798908 /nfs/dbraw/zinc/79/89/08/347798908.db2.gz HPUATLANCTZKMW-UHFFFAOYSA-N 0 0 293.322 2.950 10 30 CFEERN C[C@H](OS(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000125984567 347831180 /nfs/dbraw/zinc/83/11/80/347831180.db2.gz DDSBMUFFIQMOMF-ZETCQYMHSA-N 0 0 268.256 2.743 10 30 CFEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)nc1 ZINC000116038804 347784473 /nfs/dbraw/zinc/78/44/73/347784473.db2.gz JWPNFOIEVNHBPL-CYBMUJFWSA-N 0 0 267.288 2.524 10 30 CFEERN CCCCOS(=O)(=O)C1CC(OCc2ccccc2)C1 ZINC000117368478 347791776 /nfs/dbraw/zinc/79/17/76/347791776.db2.gz MWYLNQVOHUKZNK-UHFFFAOYSA-N 0 0 298.404 2.881 10 30 CFEERN C#C[C@H](NC)c1ccc(Br)cc1Cl ZINC000130042008 347867042 /nfs/dbraw/zinc/86/70/42/347867042.db2.gz AGQWDJZILPAUGY-JTQLQIEISA-N 0 0 258.546 2.996 10 30 CFEERN C[C@@H]1CCN1c1ccc(Br)cc1C#N ZINC000132729175 347887227 /nfs/dbraw/zinc/88/72/27/347887227.db2.gz VXEFCIWVBPRASE-MRVPVSSYSA-N 0 0 251.127 2.919 10 30 CFEERN Cc1cc(-n2cc(Br)cn2)ccc1C#N ZINC000132954938 347888284 /nfs/dbraw/zinc/88/82/84/347888284.db2.gz YLYMFWNKVUYVFG-UHFFFAOYSA-N 0 0 262.110 2.815 10 30 CFEERN COc1ccc(C(C)(C)C[C@](O)(C=O)C(F)(F)F)cc1 ZINC000138098579 347914840 /nfs/dbraw/zinc/91/48/40/347914840.db2.gz IRQSXUSKHUAQFO-ZDUSSCGKSA-N 0 0 290.281 2.855 10 30 CFEERN CC[C@@](C)(O)C#C[C@@H](O)c1ccc(SC)cc1 ZINC000138260591 347915555 /nfs/dbraw/zinc/91/55/55/347915555.db2.gz RPYQXVHJQWHTIZ-ZIAGYGMSSA-N 0 0 250.363 2.606 10 30 CFEERN C[C@H](Oc1ccccc1-c1ccccc1)C(=O)NO ZINC000139370913 347919797 /nfs/dbraw/zinc/91/97/97/347919797.db2.gz XNFQLIYPPNITRA-NSHDSACASA-N 0 0 257.289 2.626 10 30 CFEERN Cn1c(I)c(CC=O)c2ccccc21 ZINC000089203584 282575609 /nfs/dbraw/zinc/57/56/09/282575609.db2.gz VEUVGUZPYCPTFD-UHFFFAOYSA-N 0 0 299.111 2.524 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1OCc1ccncc1 ZINC000145993159 347944246 /nfs/dbraw/zinc/94/42/46/347944246.db2.gz UCDINJPJEXLRHN-UHFFFAOYSA-N 0 0 279.221 2.946 10 30 CFEERN C=C(C)[C@H](NN)c1ccc(C)c(Br)c1 ZINC000158807179 348008712 /nfs/dbraw/zinc/00/87/12/348008712.db2.gz RNLPUSGIROGDBU-NSHDSACASA-N 0 0 255.159 2.838 10 30 CFEERN CC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000086781186 179330835 /nfs/dbraw/zinc/33/08/35/179330835.db2.gz LTLHUHSEUNCBQU-BLLLJJGKSA-N 0 0 272.348 2.806 10 30 CFEERN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783585 179331796 /nfs/dbraw/zinc/33/17/96/179331796.db2.gz SOSRHQRJFOBOBB-BLLLJJGKSA-N 0 0 272.348 2.806 10 30 CFEERN COC(=O)C#Cc1cccc(Br)c1Cl ZINC000160435136 348017770 /nfs/dbraw/zinc/01/77/70/348017770.db2.gz GNNPZTQXQHKQML-UHFFFAOYSA-N 0 0 273.513 2.627 10 30 CFEERN Cc1cc(C#N)cc(N[C@H]2CCc3cc(N)ccc32)n1 ZINC000161776611 348026184 /nfs/dbraw/zinc/02/61/84/348026184.db2.gz DDNDIWMGNKUOCY-HNNXBMFYSA-N 0 0 264.332 2.943 10 30 CFEERN C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC000086785962 179333318 /nfs/dbraw/zinc/33/33/18/179333318.db2.gz DBMYPJJKPZJQDZ-TUKIKUTGSA-N 0 0 272.348 2.852 10 30 CFEERN C#Cc1cc(C(=O)OC)cc(C(=O)N(CCC)CCC)c1 ZINC000166770525 348043623 /nfs/dbraw/zinc/04/36/23/348043623.db2.gz VAQXYLAYXOIABB-UHFFFAOYSA-N 0 0 287.359 2.717 10 30 CFEERN CC1(C)CS/C(=C2\SCC(C)(C)C2=O)C1=O ZINC000169611432 348051752 /nfs/dbraw/zinc/05/17/52/348051752.db2.gz OLSSFTWEDPPHHQ-FPLPWBNLSA-N 0 0 256.392 2.882 10 30 CFEERN CN(C)c1ccc(/[N+]([O-])=C/c2cccc3nsnc32)cc1 ZINC000225384503 348176684 /nfs/dbraw/zinc/17/66/84/348176684.db2.gz WRUXQNDCNSQKPW-GRSHGNNSSA-N 0 0 299.379 2.910 10 30 CFEERN CSC(=NC#N)Nc1cc(C(F)(F)F)ccn1 ZINC000225587604 348178756 /nfs/dbraw/zinc/17/87/56/348178756.db2.gz PXEKUCIVPGHPNT-UHFFFAOYSA-N 0 0 260.244 2.522 10 30 CFEERN N#CC1(c2ccc(OC(F)(F)F)cc2)CC(=O)C1 ZINC000218475721 348166581 /nfs/dbraw/zinc/16/65/81/348166581.db2.gz QTWDZSHAGJISLK-UHFFFAOYSA-N 0 0 255.195 2.709 10 30 CFEERN COc1ccc(CN2Cc3cc(C#N)ccc3C2=O)cc1 ZINC000220084157 348168881 /nfs/dbraw/zinc/16/88/81/348168881.db2.gz CVZUBHQXOCPPKU-UHFFFAOYSA-N 0 0 278.311 2.723 10 30 CFEERN C[Si](C)(C)CCOCOc1cc(O)cc(C#N)c1 ZINC000219815469 348169212 /nfs/dbraw/zinc/16/92/12/348169212.db2.gz PFSGPVBZBJHWFP-UHFFFAOYSA-N 0 0 265.385 2.955 10 30 CFEERN C#CCN(CC)c1ncc(Br)cc1Cl ZINC000233459685 348217441 /nfs/dbraw/zinc/21/74/41/348217441.db2.gz GDNSRMNYEZHMJZ-UHFFFAOYSA-N 0 0 273.561 2.957 10 30 CFEERN COc1cc2c(cc1CN[C@@H]1CCC[C@H]1C#N)O[C@@H](C)C2 ZINC000227874639 348191855 /nfs/dbraw/zinc/19/18/55/348191855.db2.gz DWJYXIIOWAYCOR-SLEUVZQESA-N 0 0 286.375 2.800 10 30 CFEERN C=C(Br)CNc1cc(C)nc(Cl)n1 ZINC000229316105 348200737 /nfs/dbraw/zinc/20/07/37/348200737.db2.gz MTSFRSPHLQQHIY-UHFFFAOYSA-N 0 0 262.538 2.759 10 30 CFEERN C=C(Br)CNc1ncnc(Cl)c1C ZINC000229316668 348201080 /nfs/dbraw/zinc/20/10/80/348201080.db2.gz SAIDSKKHVBLTKV-UHFFFAOYSA-N 0 0 262.538 2.759 10 30 CFEERN C=C[C@@H](C)Nc1nc(Cl)ncc1Br ZINC000229321051 348201160 /nfs/dbraw/zinc/20/11/60/348201160.db2.gz NOGCODPVGPJJEU-RXMQYKEDSA-N 0 0 262.538 2.879 10 30 CFEERN C=C[C@H](C)Nc1ccc(N)cc1I ZINC000229314693 348201197 /nfs/dbraw/zinc/20/11/97/348201197.db2.gz RDLXWUSUHVTZLD-ZETCQYMHSA-N 0 0 288.132 2.860 10 30 CFEERN CC(C)=CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000238137183 348244726 /nfs/dbraw/zinc/24/47/26/348244726.db2.gz YXQWWEZWOZQWAV-LLVKDONJSA-N 0 0 253.342 2.921 10 30 CFEERN N#CCc1c(Br)nccc1OC(F)(F)F ZINC000238537396 348247290 /nfs/dbraw/zinc/24/72/90/348247290.db2.gz AWTNDFZRTYQIOE-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN C=C[C@@H](NN)c1cc(Cl)cc(Br)c1 ZINC000236283019 348232750 /nfs/dbraw/zinc/23/27/50/348232750.db2.gz UEFUJCJCGRRABZ-SECBINFHSA-N 0 0 261.550 2.793 10 30 CFEERN C=C(Br)CNc1cn(C)nc1C(C)C ZINC000300907690 348370515 /nfs/dbraw/zinc/37/05/15/348370515.db2.gz OYWURCORZKDFIB-UHFFFAOYSA-N 0 0 258.163 2.864 10 30 CFEERN Cc1ccc(N[C@@H](C)C#N)cc1I ZINC000300918087 348370911 /nfs/dbraw/zinc/37/09/11/348370911.db2.gz GKXNCPJIPBYYLW-QMMMGPOBSA-N 0 0 286.116 2.924 10 30 CFEERN C=C[C@H](N[C@H](C)c1ccc(Cl)s1)C(=O)OC ZINC000301052788 348371428 /nfs/dbraw/zinc/37/14/28/348371428.db2.gz WWAPAKKYWAQPCL-SFYZADRCSA-N 0 0 259.758 2.780 10 30 CFEERN C=C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)OC ZINC000304217228 348378078 /nfs/dbraw/zinc/37/80/78/348378078.db2.gz RFURCHIBBMMJIR-BXKDBHETSA-N 0 0 298.180 2.827 10 30 CFEERN CC=C=CC(=O)c1sccc1I ZINC000306202242 348384905 /nfs/dbraw/zinc/38/49/05/348384905.db2.gz LLBOCVKMSHXFJC-UHFFFAOYSA-N 0 0 290.125 2.949 10 30 CFEERN Oc1ccc(C#CC/C=C/c2ccc(O)c(O)c2)cc1O ZINC000006091807 290859401 /nfs/dbraw/zinc/85/94/01/290859401.db2.gz JQPOMMNEABQHEU-DUXPYHPUSA-N 0 0 282.295 2.964 10 30 biogenic,in-vitro CFEERN N#CCC(=O)[C@H]1CCCN(c2ccc(Cl)cc2)C1=O ZINC000536950766 348651473 /nfs/dbraw/zinc/65/14/73/348651473.db2.gz LBBMCDRGEVEGHC-GFCCVEGCSA-N 0 0 276.723 2.566 10 30 CFEERN C=CCc1c(C)c(OC)cc(OC)c1C(=O)OCC ZINC000584598215 348684366 /nfs/dbraw/zinc/68/43/66/348684366.db2.gz PCUSGHWIJPCIIR-UHFFFAOYSA-N 0 0 264.321 2.917 10 30 CFEERN Cc1ccc(S(=O)(=O)OC2CC(C(F)F)C2)cc1 ZINC000584600501 348684947 /nfs/dbraw/zinc/68/49/47/348684947.db2.gz OEAVVFRZJOVZEF-UHFFFAOYSA-N 0 0 276.304 2.744 10 30 CFEERN N#Cc1ccc([C@H](O)c2ccc(O)c(Cl)c2)cc1 ZINC000584598956 348684959 /nfs/dbraw/zinc/68/49/59/348684959.db2.gz CWTQGXMMKHSJDD-AWEZNQCLSA-N 0 0 259.692 2.999 10 30 CFEERN Cc1ccc(S(=O)(=O)OCC2(C)CC(C#N)C2)cc1 ZINC000584600526 348684969 /nfs/dbraw/zinc/68/49/69/348684969.db2.gz PCKPKKKWDKJUBU-UHFFFAOYSA-N 0 0 279.361 2.640 10 30 CFEERN CS(=O)(=O)O[C@H]1CC[C@@H](c2ccc(F)cc2)CC1 ZINC000584601241 348685531 /nfs/dbraw/zinc/68/55/31/348685531.db2.gz CWDKJPZKNCZHTK-BJHJDKERSA-N 0 0 272.341 2.828 10 30 CFEERN O=C1CCOC/C1=C\c1ccc(Br)cc1 ZINC000584609940 348688892 /nfs/dbraw/zinc/68/88/92/348688892.db2.gz VTMDHHDZVIUSDP-JXMROGBWSA-N 0 0 267.122 2.822 10 30 CFEERN C=C[C@@]1(c2cccc(Br)c2)COCO1 ZINC000584610639 348689259 /nfs/dbraw/zinc/68/92/59/348689259.db2.gz YDEODIGWTPJEGR-NSHDSACASA-N 0 0 255.111 2.835 10 30 CFEERN COc1ccc(OC)c2c1CCC(=O)[C@@H]2CCC#N ZINC000584620359 348692094 /nfs/dbraw/zinc/69/20/94/348692094.db2.gz DENTXSIKSZZPMV-JTQLQIEISA-N 0 0 259.305 2.606 10 30 CFEERN CC1=C(C(F)(F)F)C(=O)C(C(F)(F)F)=C(C)C1=O ZINC000584623858 348693428 /nfs/dbraw/zinc/69/34/28/348693428.db2.gz WKEUDBTVDYZOLO-UHFFFAOYSA-N 0 0 272.144 2.896 10 30 CFEERN CC(C)(C)OC(=O)C#CC(=O)c1ccccc1Cl ZINC000584624425 348693608 /nfs/dbraw/zinc/69/36/08/348693608.db2.gz HVLGIWGYNYDRPE-UHFFFAOYSA-N 0 0 264.708 2.868 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1cncc(Cl)n1 ZINC000584628202 348694843 /nfs/dbraw/zinc/69/48/43/348694843.db2.gz AMRVWCUZJVVHDO-STQMWFEESA-N 0 0 287.750 2.903 10 30 CFEERN N#Cc1cc(-c2cnc(C(F)(F)F)cn2)c(F)cn1 ZINC000584628870 348694927 /nfs/dbraw/zinc/69/49/27/348694927.db2.gz XWHWRROZCVKLQQ-UHFFFAOYSA-N 0 0 268.173 2.568 10 30 CFEERN C=C(Br)[C@@H]1CN=C(c2ccc(F)cc2)O1 ZINC000584637140 348698819 /nfs/dbraw/zinc/69/88/19/348698819.db2.gz YXHFMAGOPWGVNC-JTQLQIEISA-N 0 0 270.101 2.880 10 30 CFEERN N#C[C@@H](c1cccc(F)c1)[C@H](CCO)c1cnco1 ZINC000584638460 348698885 /nfs/dbraw/zinc/69/88/85/348698885.db2.gz ABQOKCCTXNSZAL-STQMWFEESA-N 0 0 260.268 2.587 10 30 CFEERN CC[C@H]1CN(c2ccc(C#N)c3ncccc23)CCO1 ZINC000584640707 348700224 /nfs/dbraw/zinc/70/02/24/348700224.db2.gz QKTDHPXLUGHODR-ZDUSSCGKSA-N 0 0 267.332 2.722 10 30 CFEERN C=CCOc1cc(O[C@@H]2CCCCO2)ccc1OC=O ZINC000584651022 348701835 /nfs/dbraw/zinc/70/18/35/348701835.db2.gz PYQRIURCCFSXND-OAHLLOKOSA-N 0 0 278.304 2.692 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2cnccc2c1 ZINC000590674664 348926363 /nfs/dbraw/zinc/92/63/63/348926363.db2.gz LLQAZOJAMXAVJJ-ZFWWWQNUSA-N 0 0 265.316 2.657 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2cnccc2c1 ZINC000590674663 348926473 /nfs/dbraw/zinc/92/64/73/348926473.db2.gz LLQAZOJAMXAVJJ-UKRRQHHQSA-N 0 0 265.316 2.657 10 30 CFEERN Cc1nn(C)c(N2CCC[C@@H]2C2CCCC2)c1C#N ZINC000104323842 185968892 /nfs/dbraw/zinc/96/88/92/185968892.db2.gz JQMQLAAAQFSNNN-CQSZACIVSA-N 0 0 258.369 2.759 10 30 CFEERN CCOC(=O)Nc1ccc(Br)cc1C#N ZINC000090471338 179989028 /nfs/dbraw/zinc/98/90/28/179989028.db2.gz NQFAHYWFJMMSLF-UHFFFAOYSA-N 0 0 269.098 2.889 10 30 CFEERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)c1 ZINC000105857768 186079584 /nfs/dbraw/zinc/07/95/84/186079584.db2.gz JAYXRVYKPTZYLZ-INIZCTEOSA-N 0 0 294.358 2.541 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1cnccc1C#N ZINC000271383932 191109134 /nfs/dbraw/zinc/10/91/34/191109134.db2.gz KNAYXJYRNBQQFU-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN C[C@H]1CN(c2ncc(C#N)cc2Cl)CCS1 ZINC000171608085 290908737 /nfs/dbraw/zinc/90/87/37/290908737.db2.gz JWUMHSQYQASYNN-QMMMGPOBSA-N 0 0 253.758 2.548 10 30 CFEERN N#Cc1ccc(NCC(F)F)c(Br)c1 ZINC000119753604 186849283 /nfs/dbraw/zinc/84/92/83/186849283.db2.gz GZETZRKVGPHHAI-UHFFFAOYSA-N 0 0 261.069 2.998 10 30 CFEERN N#Cc1ccc([C@H]2c3ccccc3CCN2C(N)=O)cc1 ZINC000616583642 352375601 /nfs/dbraw/zinc/37/56/01/352375601.db2.gz GACJONGZCDMIRF-INIZCTEOSA-N 0 0 277.327 2.584 10 30 CFEERN N#Cc1ccc([C@@H]2Cc3ccccc3N(CCO)C2)cc1 ZINC000616670915 352406464 /nfs/dbraw/zinc/40/64/64/352406464.db2.gz BNROHJBIQUOCAR-QGZVFWFLSA-N 0 0 278.355 2.697 10 30 CFEERN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000135018568 187789461 /nfs/dbraw/zinc/78/94/61/187789461.db2.gz TYLAEDXPIJNKCQ-CJNGLKHVSA-N 0 0 291.395 2.761 10 30 CFEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000153384111 188079866 /nfs/dbraw/zinc/07/98/66/188079866.db2.gz DPUGYWWLTHWYSA-JTQLQIEISA-N 0 0 298.358 2.691 10 30 CFEERN C#CCCCCNC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000156290439 188253576 /nfs/dbraw/zinc/25/35/76/188253576.db2.gz UUSJPDXBNQTOCC-CYBMUJFWSA-N 0 0 259.349 2.718 10 30 CFEERN C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000246010704 540045281 /nfs/dbraw/zinc/04/52/81/540045281.db2.gz YFYWBEPKLFDTNG-YNEHKIRRSA-N 0 0 254.374 2.598 10 30 CFEERN C#CCNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000173899258 188873620 /nfs/dbraw/zinc/87/36/20/188873620.db2.gz QNTIRMTZOHWSEE-CYBMUJFWSA-N 0 0 260.337 2.712 10 30 CFEERN C[C@H]1C[C@H](O)CN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000335234559 291149692 /nfs/dbraw/zinc/14/96/92/291149692.db2.gz BLRNOSJVQYGBDA-CABZTGNLSA-N 0 0 284.281 2.784 10 30 CFEERN CC[C@@](C)(CCO)Nc1ncc(Br)cc1C#N ZINC000297618487 200243419 /nfs/dbraw/zinc/24/34/19/200243419.db2.gz WGBSCFSOOJUXGN-LBPRGKRZSA-N 0 0 298.184 2.679 10 30 CFEERN CC(C)(C)OC(=O)N1CCC[C@]2(CC1)OCC[C@H]2C#N ZINC000675080408 540676901 /nfs/dbraw/zinc/67/69/01/540676901.db2.gz PVHXYRJCNJSGIV-SWLSCSKDSA-N 0 0 280.368 2.706 10 30 CFEERN CC(C)(C)OC(=O)N1CCC[C@]2(CC1)OCC[C@@H]2C#N ZINC000675080407 540676952 /nfs/dbraw/zinc/67/69/52/540676952.db2.gz PVHXYRJCNJSGIV-IUODEOHRSA-N 0 0 280.368 2.706 10 30 CFEERN CC(C)(C)OC(=O)C#Cc1ccc(Cl)c(N)c1 ZINC000675078846 540676076 /nfs/dbraw/zinc/67/60/76/540676076.db2.gz LWGRHSRWUCBMHD-UHFFFAOYSA-N 0 0 251.713 2.615 10 30 CFEERN C#CCCCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180166960 189240877 /nfs/dbraw/zinc/24/08/77/189240877.db2.gz XBVCPWDZKVJRCP-AWEZNQCLSA-N 0 0 259.353 2.657 10 30 CFEERN CSC[C@@H](C)N(C)c1snc(Cl)c1C#N ZINC000301356921 200985355 /nfs/dbraw/zinc/98/53/55/200985355.db2.gz YPWPBCHRFBBQQS-ZCFIWIBFSA-N 0 0 261.803 2.856 10 30 CFEERN Cc1ccc([C@@](C)(O)CNc2ccc(C#N)cc2)o1 ZINC000301420178 201002048 /nfs/dbraw/zinc/00/20/48/201002048.db2.gz NIXWWYRHVGMGSU-HNNXBMFYSA-N 0 0 256.305 2.779 10 30 CFEERN CC(=O)N(C)Cc1cccc(Nc2cccc(C#N)n2)c1 ZINC000301823477 201218250 /nfs/dbraw/zinc/21/82/50/201218250.db2.gz HUTSXYNCMGXDSF-UHFFFAOYSA-N 0 0 280.331 2.675 10 30 CFEERN COC(=O)CCCSc1cc(C)nc(C)c1C#N ZINC000301804576 201209215 /nfs/dbraw/zinc/20/92/15/201209215.db2.gz XJIYENJGRVSUDF-UHFFFAOYSA-N 0 0 264.350 2.615 10 30 CFEERN N#Cc1cc(F)ccc1N(CCO)Cc1ccsc1 ZINC000301843472 201228185 /nfs/dbraw/zinc/22/81/85/201228185.db2.gz RKBJTJIPHVUQRZ-UHFFFAOYSA-N 0 0 276.336 2.758 10 30 CFEERN C=CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC000685960354 541475033 /nfs/dbraw/zinc/47/50/33/541475033.db2.gz GEKPTDBEGXDHMU-GHMZBOCLSA-N 0 0 253.342 2.777 10 30 CFEERN C/C=C/C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000685959493 541473646 /nfs/dbraw/zinc/47/36/46/541473646.db2.gz YONJUSFVOYJRPN-PZBABLGHSA-N 0 0 253.342 2.825 10 30 CFEERN C/C=C/C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000685959055 541473661 /nfs/dbraw/zinc/47/36/61/541473661.db2.gz JNEMIYIDFICRAT-UZYOAWRESA-N 0 0 253.342 2.825 10 30 CFEERN CO[C@@H]1CC[C@H](Nc2cc(C#N)ccc2C(C)=O)C1 ZINC000302742049 201535156 /nfs/dbraw/zinc/53/51/56/201535156.db2.gz DFNAVXOVHFZZQL-QWHCGFSZSA-N 0 0 258.321 2.740 10 30 CFEERN C[C@]1(c2ccccc2)C[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC000333237659 291434064 /nfs/dbraw/zinc/43/40/64/291434064.db2.gz VWWZYMUDPQOWRN-GDBMZVCRSA-N 0 0 268.360 2.917 10 30 CFEERN CCC[C@@H](O)/C=C/C=C/C=C/C#CC#CCCCO ZINC000001531097 371678576 /nfs/dbraw/zinc/67/85/76/371678576.db2.gz FQVNSJQTSOVRKZ-JNRDBWBESA-N 0 0 258.361 2.595 10 30 biogenic,in-vitro CFEERN COc1ccc(C(=O)/C=C2/c3ccccc3N(C)C2=O)cc1 ZINC000003130237 371774464 /nfs/dbraw/zinc/77/44/64/371774464.db2.gz KVWZHPHNFHDHQM-PTNGSMBKSA-N 0 0 293.322 2.938 10 30 CFEERN CCc1ccc(-c2nnn(Cc3ccc(C#N)cc3)n2)cc1 ZINC000007040554 371893590 /nfs/dbraw/zinc/89/35/90/371893590.db2.gz RLTBORNYEPRKCQ-UHFFFAOYSA-N 0 0 289.342 2.822 10 30 CFEERN O=C(CCCc1ccccc1)Nc1ccc(C(=O)NO)cc1 ZINC000013533300 372032243 /nfs/dbraw/zinc/03/22/43/372032243.db2.gz VZROKPBSFBHVTL-UHFFFAOYSA-N 0 0 298.342 2.767 10 30 in-vivo CFEERN C=CCn1nc(-c2cccnc2)c2ccccc2c1=O ZINC000013600546 372035892 /nfs/dbraw/zinc/03/58/92/372035892.db2.gz WPCNQZRRXZKRNT-UHFFFAOYSA-N 0 0 263.300 2.645 10 30 CFEERN Cc1cccc2nc(C(=O)Nc3cccc(C#N)c3)cn21 ZINC000015644209 372090326 /nfs/dbraw/zinc/09/03/26/372090326.db2.gz GNXKXYPGPKUMBF-UHFFFAOYSA-N 0 0 276.299 2.767 10 30 CFEERN C[C@H](NNC(=S)N1CCCCCC1)c1ccccn1 ZINC000017126935 372127922 /nfs/dbraw/zinc/12/79/22/372127922.db2.gz DREOIKBJHYVAPY-LBPRGKRZSA-N 0 0 278.425 2.809 10 30 CFEERN [O-]/N=C/c1[nH+]c(-c2ccc(F)cc2)n2ccccc12 ZINC000033960843 372503537 /nfs/dbraw/zinc/50/35/37/372503537.db2.gz DIVMWLXEMWDUDU-CXUHLZMHSA-N 0 0 255.252 2.949 10 30 CFEERN CC(=O)O/C(=C\C(=O)c1ccccc1)C(F)(F)F ZINC000033954118 372503967 /nfs/dbraw/zinc/50/39/67/372503967.db2.gz UWQNJJGNFAFFGH-XFFZJAGNSA-N 0 0 258.195 2.879 10 30 CFEERN Cc1cc(C)c(C)c(Oc2ncccc2/C(N)=N/O)c1 ZINC000034940042 372520124 /nfs/dbraw/zinc/52/01/24/372520124.db2.gz LSPUZSLESXSWNW-UHFFFAOYSA-N 0 0 271.320 2.894 10 30 CFEERN C/C(=N\NC(=S)Nc1ccccc1)c1cccnc1 ZINC000045921059 373036590 /nfs/dbraw/zinc/03/65/90/373036590.db2.gz QNZPHVDWVQBYBE-GZTJUZNOSA-N 0 0 270.361 2.792 10 30 CFEERN C[C@@H](NC[C@H](C)C#N)c1ccc(-n2ccnc2)cc1 ZINC000047979443 373136882 /nfs/dbraw/zinc/13/68/82/373136882.db2.gz QVAPYTRGUDKWED-CHWSQXEVSA-N 0 0 254.337 2.683 10 30 CFEERN CCC(C#N)(CC)C(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000529259698 383689315 /nfs/dbraw/zinc/68/93/15/383689315.db2.gz JOVMTIKJASGDPV-VXGBXAGGSA-N 0 0 266.385 2.636 10 30 CFEERN C=CCN[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000051961968 373422724 /nfs/dbraw/zinc/42/27/24/373422724.db2.gz XLNSGNRUIMUPEP-LBPRGKRZSA-N 0 0 253.729 2.720 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061888541 373735157 /nfs/dbraw/zinc/73/51/57/373735157.db2.gz XJDIHZHLTOZBAC-GXTWGEPZSA-N 0 0 254.333 2.527 10 30 CFEERN Cc1cccc(OCCC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889295 373736272 /nfs/dbraw/zinc/73/62/72/373736272.db2.gz AJHODEDIOYRDNW-UKRRQHHQSA-N 0 0 272.348 2.572 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000061891871 373736310 /nfs/dbraw/zinc/73/63/10/373736310.db2.gz AQRQWTUDBOOCOM-SJORKVTESA-N 0 0 280.375 2.713 10 30 CFEERN COc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889353 373736486 /nfs/dbraw/zinc/73/64/86/373736486.db2.gz TWRMFBXQIRXLDA-GXFFZTMASA-N 0 0 259.309 2.509 10 30 CFEERN Cc1cccc(OCCC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889296 373736597 /nfs/dbraw/zinc/73/65/97/373736597.db2.gz AJHODEDIOYRDNW-HIFRSBDPSA-N 0 0 272.348 2.572 10 30 CFEERN COc1ccc(/C=C2\SC(=O)N(CCC#N)C2=O)cc1 ZINC000072414683 374249350 /nfs/dbraw/zinc/24/93/50/374249350.db2.gz OROBQBAYFVTADO-XFXZXTDPSA-N 0 0 288.328 2.645 10 30 CFEERN C=C(C)[C@@H](CC/C(C)=C/CO)N(O)c1ccccn1 ZINC000073142249 374324862 /nfs/dbraw/zinc/32/48/62/374324862.db2.gz HSSTWKIRWJZGDH-KADHNRKRSA-N 0 0 262.353 2.941 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc(C)c(N)c2)o1 ZINC000073640366 374362144 /nfs/dbraw/zinc/36/21/44/374362144.db2.gz PDCCEXJIZDSROA-UHFFFAOYSA-N 0 0 255.273 2.627 10 30 CFEERN C#CCOC(=O)c1ccc(-c2cc(N)ccc2C)o1 ZINC000073640363 374362489 /nfs/dbraw/zinc/36/24/89/374362489.db2.gz AVBULYDHZLCDOQ-UHFFFAOYSA-N 0 0 255.273 2.627 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000073640142 374363214 /nfs/dbraw/zinc/36/32/14/374363214.db2.gz IHVZVBBIHTVRAW-UHFFFAOYSA-N 0 0 285.255 2.953 10 30 CFEERN C[C@H]1C[C@H]1NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000076055112 374524176 /nfs/dbraw/zinc/52/41/76/374524176.db2.gz QNQZLNWJEVMCFQ-GXFFZTMASA-N 0 0 296.292 2.765 10 30 CFEERN C=CCc1cc(OC)ccc1OC(=O)[C@H](C)COC ZINC000103360446 375733066 /nfs/dbraw/zinc/73/30/66/375733066.db2.gz XBYJYNACSGNYAU-LLVKDONJSA-N 0 0 264.321 2.612 10 30 CFEERN COC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000103385095 375738032 /nfs/dbraw/zinc/73/80/32/375738032.db2.gz VFVHTDGRTVOLCT-LLVKDONJSA-N 0 0 276.336 2.566 10 30 CFEERN C=C(Cl)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922311 375794853 /nfs/dbraw/zinc/79/48/53/375794853.db2.gz GCMSIZJTJICFSF-LBPRGKRZSA-N 0 0 253.777 2.926 10 30 CFEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109124430 375821707 /nfs/dbraw/zinc/82/17/07/375821707.db2.gz WUVPUXMECXYXKS-JLLWLGSASA-N 0 0 278.302 2.829 10 30 CFEERN N#Cc1cnc(N2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000110414651 375828541 /nfs/dbraw/zinc/82/85/41/375828541.db2.gz SGZRQLGVPBUVPC-UHFFFAOYSA-N 0 0 287.754 2.714 10 30 CFEERN SCCSC[C@@H](CS)SCCS ZINC000113178584 375995763 /nfs/dbraw/zinc/99/57/63/375995763.db2.gz CEUQYYYUSUCFKP-SSDOTTSWSA-N 0 0 260.540 2.611 10 30 CFEERN C=CCN(Cc1ccccc1)C(=O)NCCn1cc(C)cn1 ZINC000118081388 376273625 /nfs/dbraw/zinc/27/36/25/376273625.db2.gz MNZDMZNLTDNYAU-UHFFFAOYSA-N 0 0 298.390 2.589 10 30 CFEERN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCS1 ZINC000119937867 376508407 /nfs/dbraw/zinc/50/84/07/376508407.db2.gz OSCKZDOVMYGWKW-JTQLQIEISA-N 0 0 250.342 2.635 10 30 CFEERN N#Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000120925299 376723705 /nfs/dbraw/zinc/72/37/05/376723705.db2.gz RPIQGUBZKVVXDU-UHFFFAOYSA-N 0 0 295.346 2.693 10 30 CFEERN C=CCC(CC=C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000124570083 377064835 /nfs/dbraw/zinc/06/48/35/377064835.db2.gz FHXMJISKDGMYNP-HUUCEWRRSA-N 0 0 263.381 2.925 10 30 CFEERN CCCCCCCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126980502 377256929 /nfs/dbraw/zinc/25/69/29/377256929.db2.gz ISQFPIXGUCETDQ-OAHLLOKOSA-N 0 0 292.427 2.877 10 30 CFEERN C=CCC[C@@H](O)CNC1(c2noc(C(C)C)n2)CCCC1 ZINC000132044666 377795462 /nfs/dbraw/zinc/79/54/62/377795462.db2.gz NBZSYTSYGVNDAP-CYBMUJFWSA-N 0 0 293.411 2.879 10 30 CFEERN C[C@@H]1OCC[C@H]1Nc1ccc(Br)cc1C#N ZINC000134217421 377994188 /nfs/dbraw/zinc/99/41/88/377994188.db2.gz WCVIUFZHZGHNQR-GZMMTYOYSA-N 0 0 281.153 2.910 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000135025644 378075149 /nfs/dbraw/zinc/07/51/49/378075149.db2.gz VNVLNIVDAUQLOV-GOEBONIOSA-N 0 0 275.396 2.957 10 30 CFEERN C=C(C)COCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000135038634 378076463 /nfs/dbraw/zinc/07/64/63/378076463.db2.gz GRBIHQFPRAADEU-ZDUSSCGKSA-N 0 0 278.352 2.719 10 30 CFEERN C#C[C@@H](C)Nc1ccccc1I ZINC000135165268 378094135 /nfs/dbraw/zinc/09/41/35/378094135.db2.gz ONPRIOJMJPDIEB-MRVPVSSYSA-N 0 0 271.101 2.725 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCCC[C@H]1O ZINC000135825465 378165238 /nfs/dbraw/zinc/16/52/38/378165238.db2.gz NMBQHXDVIJOUIO-ZIAGYGMSSA-N 0 0 275.308 2.572 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCCC[C@@H]1O ZINC000135825430 378165877 /nfs/dbraw/zinc/16/58/77/378165877.db2.gz NMBQHXDVIJOUIO-KBPBESRZSA-N 0 0 275.308 2.572 10 30 CFEERN Cn1cc([C@H]2CCCN2Cc2cc(F)ccc2C#N)cn1 ZINC000159767267 378728607 /nfs/dbraw/zinc/72/86/07/378728607.db2.gz GZKKFKNZFMBENA-MRXNPFEDSA-N 0 0 284.338 2.768 10 30 CFEERN N#Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccc1F ZINC000161006841 378814681 /nfs/dbraw/zinc/81/46/81/378814681.db2.gz VZXUSPVPVCALEE-HOTGVXAUSA-N 0 0 274.339 2.841 10 30 CFEERN C[C@H]1CC[C@@H](NS(=O)(=O)CCCC#N)c2ccccc21 ZINC000162334622 378906191 /nfs/dbraw/zinc/90/61/91/378906191.db2.gz KVULINXKSLPFGX-SWLSCSKDSA-N 0 0 292.404 2.848 10 30 CFEERN C#Cc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171366694 379290238 /nfs/dbraw/zinc/29/02/38/379290238.db2.gz TZDVGYHJWLAGFA-NSHDSACASA-N 0 0 260.362 2.637 10 30 CFEERN N#Cc1csc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000177479050 380347114 /nfs/dbraw/zinc/34/71/14/380347114.db2.gz DXNUOHAQBCTGDM-GFCCVEGCSA-N 0 0 286.360 2.710 10 30 CFEERN C[C@@H](C#N)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000180548450 380675075 /nfs/dbraw/zinc/67/50/75/380675075.db2.gz IFDGXKZVUODNED-CMPLNLGQSA-N 0 0 299.296 2.619 10 30 CFEERN CCc1ccc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000181146221 380748098 /nfs/dbraw/zinc/74/80/98/380748098.db2.gz OFHBZZAKAZGKPQ-NSHDSACASA-N 0 0 267.332 2.940 10 30 CFEERN CCn1c(C)nnc1COc1cc(Cl)cc(C#N)c1 ZINC000287429549 380829772 /nfs/dbraw/zinc/82/97/72/380829772.db2.gz DPVLQHKXJAYLGF-UHFFFAOYSA-N 0 0 276.727 2.711 10 30 CFEERN C[C@@H](COCc1ccccc1)Nc1cccnc1C#N ZINC000290535544 381470304 /nfs/dbraw/zinc/47/03/04/381470304.db2.gz DQVLFCVDDNKSAA-ZDUSSCGKSA-N 0 0 267.332 2.970 10 30 CFEERN C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000359672152 381545631 /nfs/dbraw/zinc/54/56/31/381545631.db2.gz JVZCXFXBNDCBFO-DZGCQCFKSA-N 0 0 270.332 2.673 10 30 CFEERN CCOc1ccc(Nc2nccnc2C#N)cc1C ZINC000301158879 382094964 /nfs/dbraw/zinc/09/49/64/382094964.db2.gz GUROCBOFWBAKLM-UHFFFAOYSA-N 0 0 254.293 2.799 10 30 CFEERN CSC[C@H](C)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000301331086 382151190 /nfs/dbraw/zinc/15/11/90/382151190.db2.gz LJMMKGFCKPOAMT-VIFPVBQESA-N 0 0 265.338 2.654 10 30 CFEERN C=CCO[C@@H]1CCN(c2cc(C)nc(-c3cccnc3)n2)C1 ZINC000302140632 382208439 /nfs/dbraw/zinc/20/84/39/382208439.db2.gz JDWGBIRVJAVLGV-OAHLLOKOSA-N 0 0 296.374 2.628 10 30 CFEERN C=CCO[C@@H]1CCN(c2nc(C)nc(Cl)c2CC)C1 ZINC000302141609 382210385 /nfs/dbraw/zinc/21/03/85/382210385.db2.gz JPEZPUZFZWUHPG-LLVKDONJSA-N 0 0 281.787 2.782 10 30 CFEERN C=CCO[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000302154351 382210709 /nfs/dbraw/zinc/21/07/09/382210709.db2.gz MLNSQMSYBGLNEH-GFCCVEGCSA-N 0 0 262.309 2.685 10 30 CFEERN CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000302685466 382292015 /nfs/dbraw/zinc/29/20/15/382292015.db2.gz BADNCDNKFCCDGT-UHFFFAOYSA-N 0 0 297.274 2.563 10 30 CFEERN C[C@@H]1Cc2ccccc2N1c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302742074 382308627 /nfs/dbraw/zinc/30/86/27/382308627.db2.gz RLKNKIWCGSKTMN-SNVBAGLBSA-N 0 0 280.287 2.944 10 30 CFEERN C=C(Br)CN1CCc2sccc2C1=O ZINC000307289168 382465399 /nfs/dbraw/zinc/46/53/99/382465399.db2.gz YDPIWPJBFDNXME-UHFFFAOYSA-N 0 0 272.167 2.655 10 30 CFEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190678472 382677432 /nfs/dbraw/zinc/67/74/32/382677432.db2.gz SSHQMBJUXQOANY-WCQYABFASA-N 0 0 258.321 2.620 10 30 CFEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191954195 382703515 /nfs/dbraw/zinc/70/35/15/382703515.db2.gz ZTTOQFUIMPAWGK-QWHCGFSZSA-N 0 0 266.385 2.732 10 30 CFEERN COC(=O)c1ccc(C#N)c(OC(F)F)c1Cl ZINC000575382439 382762957 /nfs/dbraw/zinc/76/29/57/382762957.db2.gz LOTWVYUKSZIHBF-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1c(Br)ccc(CC)c1C#N ZINC000575382987 382763139 /nfs/dbraw/zinc/76/31/39/382763139.db2.gz YHXUSEHHKCDLDL-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC(F)F)c1Cl ZINC000575382466 382763232 /nfs/dbraw/zinc/76/32/32/382763232.db2.gz NJDJBUJGRMWVCN-UHFFFAOYSA-N 0 0 275.638 2.990 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1Br ZINC000575382983 382763249 /nfs/dbraw/zinc/76/32/49/382763249.db2.gz SCQHUGIHGWTUBZ-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)Cc1c(Cl)c(C#N)ccc1CC ZINC000575382525 382763284 /nfs/dbraw/zinc/76/32/84/382763284.db2.gz VHWJLRUTFBTXGG-UHFFFAOYSA-N 0 0 251.713 2.880 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1Cl ZINC000575383311 382763472 /nfs/dbraw/zinc/76/34/72/382763472.db2.gz ORQCQPZTNCDPKP-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1c(Cl)cc(C#N)cc1OC(F)(F)F ZINC000575383430 382763518 /nfs/dbraw/zinc/76/35/18/382763518.db2.gz VMECFENKMIKNQN-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1c(Cl)cc(C#N)cc1C(F)F ZINC000575711979 382793555 /nfs/dbraw/zinc/79/35/55/382793555.db2.gz BYWQIYOLEXTASD-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN CCc1ccc(OC(F)F)c(C#N)c1C(=O)OC ZINC000575385247 382763858 /nfs/dbraw/zinc/76/38/58/382763858.db2.gz GEZSRYALPGBYGE-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)c(C#N)cc1CC ZINC000575385427 382764148 /nfs/dbraw/zinc/76/41/48/382764148.db2.gz QDUNTXQRCVYMIN-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)c1cc(C#N)c(OC(F)F)cc1C(F)(F)F ZINC000575387096 382764454 /nfs/dbraw/zinc/76/44/54/382764454.db2.gz UTYNGFNXTUDWQI-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1c(C#N)cc(OC(F)F)cc1C(F)(F)F ZINC000575386888 382764578 /nfs/dbraw/zinc/76/45/78/382764578.db2.gz NKRAJYDZFXWZDC-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1C ZINC000575388248 382764816 /nfs/dbraw/zinc/76/48/16/382764816.db2.gz PVGORNGVIFAPCH-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCOC(=O)c1cc(C)cc(C#N)c1OC(F)F ZINC000575388675 382764906 /nfs/dbraw/zinc/76/49/06/382764906.db2.gz RUKLQQPFUXCZTJ-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1c(C(=O)OC)ccc(C#N)c1C(F)(F)F ZINC000575389241 382765493 /nfs/dbraw/zinc/76/54/93/382765493.db2.gz CXNKHZUFFVWFDT-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1cc(C#N)c(C(F)(F)F)c(C(=O)OC)c1 ZINC000575389548 382765753 /nfs/dbraw/zinc/76/57/53/382765753.db2.gz HSKAZJPSADIVOO-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCc1c(C#N)cc(C(F)(F)F)cc1CC(=O)OC ZINC000575389859 382766219 /nfs/dbraw/zinc/76/62/19/382766219.db2.gz SRDKKKFIKVDPDA-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN COC(=O)c1ccc(C=O)c(SC(F)(F)F)c1C#N ZINC000575390886 382766425 /nfs/dbraw/zinc/76/64/25/382766425.db2.gz AIMMZVYKUGJAEE-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1c(SC(F)(F)F)ccc(O)c1C#N ZINC000575391973 382767097 /nfs/dbraw/zinc/76/70/97/382767097.db2.gz IZPHZCWPXJQZTQ-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1cc(O)cc(SC(F)(F)F)c1C#N ZINC000575392024 382767216 /nfs/dbraw/zinc/76/72/16/382767216.db2.gz LOOHYDOZPYOVPD-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)c1ccc(C#N)c(SC(F)(F)F)c1OC ZINC000575394086 382767837 /nfs/dbraw/zinc/76/78/37/382767837.db2.gz ACGRYZOSGWOTQW-UHFFFAOYSA-N 0 0 291.250 2.965 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1OC ZINC000575394385 382768128 /nfs/dbraw/zinc/76/81/28/382768128.db2.gz JHAVYNNMDMXKSZ-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1cc(C#N)c(OC)c(C(F)(F)F)c1 ZINC000575394459 382768251 /nfs/dbraw/zinc/76/82/51/382768251.db2.gz LTQHQRKOFUHAQI-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN CCOC(=O)c1c(C(F)(F)F)ccc(C#N)c1OC ZINC000575394360 382768259 /nfs/dbraw/zinc/76/82/59/382768259.db2.gz ISBWJDKSQKZVAZ-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)c1c(C#N)cc(C)cc1OC(F)(F)F ZINC000575395177 382768581 /nfs/dbraw/zinc/76/85/81/382768581.db2.gz QSHZVOMEUSTBAN-UHFFFAOYSA-N 0 0 259.183 2.552 10 30 CFEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1C ZINC000575395222 382768926 /nfs/dbraw/zinc/76/89/26/382768926.db2.gz SSMCPWBRBVVJSH-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN COC(=O)Cc1c(C)ccc(C(F)(F)F)c1C#N ZINC000575395334 382769014 /nfs/dbraw/zinc/76/90/14/382769014.db2.gz YYXBSSBJEQRUEP-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN N#CCc1cc(C(F)(F)F)cc(OC(F)F)n1 ZINC000575396937 382769321 /nfs/dbraw/zinc/76/93/21/382769321.db2.gz WJSQLYYXRLLLJL-UHFFFAOYSA-N 0 0 252.142 2.768 10 30 CFEERN CCCCCCCn1nnc2c1C[C@H](C(F)(F)F)NC2 ZINC000575434165 382770841 /nfs/dbraw/zinc/77/08/41/382770841.db2.gz MPGLHKAFWBPKJZ-GFCCVEGCSA-N 0 0 290.333 2.825 10 30 CFEERN C=C(Br)CNc1ncc(Cl)cc1C ZINC000575456939 382772234 /nfs/dbraw/zinc/77/22/34/382772234.db2.gz MKNBYZVQCGOXEJ-UHFFFAOYSA-N 0 0 261.550 2.786 10 30 CFEERN C#C[C@H](N)c1scc(Br)c1Br ZINC000575457969 382772245 /nfs/dbraw/zinc/77/22/45/382772245.db2.gz PDIRGLXYGKCCJK-YFKPBYRVSA-N 0 0 294.999 2.906 10 30 CFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCCSCC1 ZINC000575497776 382772959 /nfs/dbraw/zinc/77/29/59/382772959.db2.gz ZVIIPPNOIGMPBZ-GFCCVEGCSA-N 0 0 256.371 2.691 10 30 CFEERN C#CC[C@@H](C)Nc1ccc(I)cn1 ZINC000575594922 382774453 /nfs/dbraw/zinc/77/44/53/382774453.db2.gz OZFOKZDDOBFLGL-MRVPVSSYSA-N 0 0 286.116 2.510 10 30 CFEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)c1cncc(C#N)n1 ZINC000575603600 382774858 /nfs/dbraw/zinc/77/48/58/382774858.db2.gz IZMNQKATXCQVKW-LLVKDONJSA-N 0 0 299.403 2.670 10 30 CFEERN CCOc1cc(CC#N)cc(C#N)c1OC(F)F ZINC000575639508 382776427 /nfs/dbraw/zinc/77/64/27/382776427.db2.gz RTRLNXQCJORIRQ-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1cc(C#N)cc(CC#N)c1OC(F)F ZINC000575638091 382776474 /nfs/dbraw/zinc/77/64/74/382776474.db2.gz DIWYCUSXGNYTPZ-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1c(CC#N)cc(C=O)cc1OC(F)F ZINC000575655761 382779427 /nfs/dbraw/zinc/77/94/27/382779427.db2.gz IGCPXBFJJJCLHO-UHFFFAOYSA-N 0 0 255.220 2.565 10 30 CFEERN N#Cc1cc(Cl)nc(-n2cc(Br)cn2)c1 ZINC000215557076 382779637 /nfs/dbraw/zinc/77/96/37/382779637.db2.gz YFYDWZAKLVIGCU-UHFFFAOYSA-N 0 0 283.516 2.555 10 30 CFEERN CCOc1c(OC)cc(CC#N)cc1OC(F)F ZINC000575656936 382779773 /nfs/dbraw/zinc/77/97/73/382779773.db2.gz IOXQVAXAIZGLHF-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCc1cc(CC#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575659317 382780766 /nfs/dbraw/zinc/78/07/66/382780766.db2.gz FSHWLDXFMNKDGF-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1ccc(OC(F)F)c([N+](=O)[O-])c1CC#N ZINC000575660483 382781017 /nfs/dbraw/zinc/78/10/17/382781017.db2.gz QHLDXDPMGIRCBM-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1cc(OC(F)(F)F)c(O)cc1OC(F)F ZINC000575661212 382781161 /nfs/dbraw/zinc/78/11/61/382781161.db2.gz AXOZFELVNMNQNJ-UHFFFAOYSA-N 0 0 283.152 2.958 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1OCC ZINC000575670071 382783540 /nfs/dbraw/zinc/78/35/40/382783540.db2.gz BUPNEYYYFDCGJZ-UHFFFAOYSA-N 0 0 285.246 2.735 10 30 CFEERN CCOc1ccc(C#N)c(C)c1I ZINC000575670519 382783561 /nfs/dbraw/zinc/78/35/61/382783561.db2.gz KUSJFODLPFXSPB-UHFFFAOYSA-N 0 0 287.100 2.870 10 30 CFEERN CCOc1c(F)cc(C#N)cc1I ZINC000575670181 382783630 /nfs/dbraw/zinc/78/36/30/382783630.db2.gz FXTKQGJVBILYDW-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1c(F)ccc(C#N)c1I ZINC000575671559 382784003 /nfs/dbraw/zinc/78/40/03/382784003.db2.gz YXSQUNGRBZULJH-UHFFFAOYSA-N 0 0 291.063 2.701 10 30 CFEERN CCOc1cc(C#N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575671301 382784026 /nfs/dbraw/zinc/78/40/26/382784026.db2.gz QDUMBNVWQYMDDO-UHFFFAOYSA-N 0 0 260.171 2.884 10 30 CFEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1OC(F)(F)F ZINC000575673292 382784203 /nfs/dbraw/zinc/78/42/03/382784203.db2.gz GNFIIOUPMMVQBA-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN CCc1cc(N)c(I)c(CC#N)c1 ZINC000575717251 382795218 /nfs/dbraw/zinc/79/52/18/382795218.db2.gz DKGFFMFEZIFZIE-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(Br)cc(O)c1OC(F)F ZINC000575681987 382786385 /nfs/dbraw/zinc/78/63/85/382786385.db2.gz JHBXEJVBYPTNTB-UHFFFAOYSA-N 0 0 278.052 2.822 10 30 CFEERN N#CCc1c(OC(F)(F)F)ccc(N)c1OC(F)F ZINC000575716857 382795249 /nfs/dbraw/zinc/79/52/49/382795249.db2.gz HADUDJCCKZMCHK-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN N#CCc1cc(N)c(OC(F)F)cc1C(F)(F)F ZINC000575717804 382795252 /nfs/dbraw/zinc/79/52/52/382795252.db2.gz UTUZBYMISUTXKJ-UHFFFAOYSA-N 0 0 266.169 2.955 10 30 CFEERN N#Cc1c(OC(F)F)c(Br)ccc1[N+](=O)[O-] ZINC000575684932 382787601 /nfs/dbraw/zinc/78/76/01/382787601.db2.gz IIWJGXDHWCQALU-UHFFFAOYSA-N 0 0 293.023 2.830 10 30 CFEERN N#CCc1cc(F)cc(I)c1F ZINC000575696084 382789955 /nfs/dbraw/zinc/78/99/55/382789955.db2.gz UTDIVYBPMRQZJP-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN Cc1cc(F)cc(I)c1CC#N ZINC000575705313 382792294 /nfs/dbraw/zinc/79/22/94/382792294.db2.gz KXSHOENKBDRQSD-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN CCOC(=O)Cc1c(Br)cc(C#N)cc1CC ZINC000575341628 382759359 /nfs/dbraw/zinc/75/93/59/382759359.db2.gz UYOKNCPVWSDHEZ-UHFFFAOYSA-N 0 0 296.164 2.989 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(OC)c1C(F)F ZINC000575343567 382759675 /nfs/dbraw/zinc/75/96/75/382759675.db2.gz JYOHRYCPKYWONW-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1cc(C#N)c(C(F)F)c(OC)c1 ZINC000575343523 382759716 /nfs/dbraw/zinc/75/97/16/382759716.db2.gz DJRFYXFNCWZXIL-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)c1cc(C(F)F)cc(OC)c1C#N ZINC000575343583 382759728 /nfs/dbraw/zinc/75/97/28/382759728.db2.gz LQINADYEMQSEGS-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN COC(=O)Cc1cc(C#N)cc(OC(F)F)c1Cl ZINC000575343017 382759794 /nfs/dbraw/zinc/75/97/94/382759794.db2.gz QZEPVWUSIZHLIE-UHFFFAOYSA-N 0 0 275.638 2.529 10 30 CFEERN CCOC(=O)Cc1cc(OC)c(C#N)c(C(F)F)c1 ZINC000575343608 382759960 /nfs/dbraw/zinc/75/99/60/382759960.db2.gz PXULITJJNSEKQP-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)Cc1cc(C)c(C(F)F)c(C#N)c1 ZINC000575344183 382759971 /nfs/dbraw/zinc/75/99/71/382759971.db2.gz TYIWNGCVJWGNCA-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC)c1C(F)F ZINC000575343668 382759989 /nfs/dbraw/zinc/75/99/89/382759989.db2.gz YPCFFBQVCXVCCO-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CN(C)c1ccc(/[N+]([O-])=C\c2cccc3nsnc32)cc1 ZINC000575348892 382760549 /nfs/dbraw/zinc/76/05/49/382760549.db2.gz WRUXQNDCNSQKPW-VXLYETTFSA-N 0 0 299.379 2.910 10 30 CFEERN N#Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC1 ZINC000226280185 382826128 /nfs/dbraw/zinc/82/61/28/382826128.db2.gz TZMKLOADQLXIIQ-UHFFFAOYSA-N 0 0 283.253 2.659 10 30 CFEERN C[C@H]1S/C(=N/C=N/c2ccccc2OC(F)F)NC1=O ZINC000226820359 382831600 /nfs/dbraw/zinc/83/16/00/382831600.db2.gz IFRQZFORNICEIF-SSDOTTSWSA-N 0 0 299.302 2.555 10 30 CFEERN CC(Nc1ccccc1N)=C1C(=O)Nc2ccccc2C1=O ZINC000227173358 382834787 /nfs/dbraw/zinc/83/47/87/382834787.db2.gz LYLKZPSWCFPNMI-XNTDXEJSSA-N 0 0 293.326 2.790 10 30 CFEERN Cc1cc(NCC[C@H]2CCCCO2)c(C#N)c(C)n1 ZINC000227316634 382835663 /nfs/dbraw/zinc/83/56/63/382835663.db2.gz ILSIJJZHUQEYNL-CYBMUJFWSA-N 0 0 259.353 2.941 10 30 CFEERN Cc1cc(NC[C@H]2CCC[C@@H](O)C2)c(C#N)c(C)n1 ZINC000227593924 382837985 /nfs/dbraw/zinc/83/79/85/382837985.db2.gz WWUKTEQUMSXYLK-QWHCGFSZSA-N 0 0 259.353 2.533 10 30 CFEERN CCC[C@H](CCO)CNc1cc(C)nc(C)c1C#N ZINC000227594089 382837998 /nfs/dbraw/zinc/83/79/98/382837998.db2.gz NQWFICMYJGWSBP-CYBMUJFWSA-N 0 0 261.369 2.781 10 30 CFEERN CC(C)C1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232744956 382869591 /nfs/dbraw/zinc/86/95/91/382869591.db2.gz YMSGVMJRDOQZSZ-UHFFFAOYSA-N 0 0 260.297 2.710 10 30 CFEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)c1ccco1 ZINC000235260547 382878819 /nfs/dbraw/zinc/87/88/19/382878819.db2.gz NXEVFWDFEUYTEH-MRVPVSSYSA-N 0 0 258.237 2.628 10 30 CFEERN N#Cc1nc(NCc2ccsc2)ccc1[N+](=O)[O-] ZINC000236422890 382893724 /nfs/dbraw/zinc/89/37/24/382893724.db2.gz OIURKKUIMGCWJD-UHFFFAOYSA-N 0 0 260.278 2.535 10 30 CFEERN N#Cc1nc(Sc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000236572573 382895511 /nfs/dbraw/zinc/89/55/11/382895511.db2.gz JYIQKTBHBJYYBW-UHFFFAOYSA-N 0 0 273.273 2.718 10 30 CFEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246053912 383060197 /nfs/dbraw/zinc/06/01/97/383060197.db2.gz WUVPUXMECXYXKS-ADEWGFFLSA-N 0 0 278.302 2.829 10 30 CFEERN CC#CCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246813249 383107341 /nfs/dbraw/zinc/10/73/41/383107341.db2.gz TZAKLMREYHTIPW-KBPBESRZSA-N 0 0 283.293 2.836 10 30 CFEERN CCc1nccn1[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000247182881 383150883 /nfs/dbraw/zinc/15/08/83/383150883.db2.gz NTGOABVZYHBNKW-HUUCEWRRSA-N 0 0 285.395 2.526 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000248644200 383277009 /nfs/dbraw/zinc/27/70/09/383277009.db2.gz ZIXKZBLKPNRTJF-YJNKXOJESA-N 0 0 293.407 2.921 10 30 CFEERN C(#Cc1ccccc1)CN1CCO[C@H]2CCCC[C@H]21 ZINC000248815868 383292680 /nfs/dbraw/zinc/29/26/80/383292680.db2.gz DNSQRUQRPQDDSB-SJORKVTESA-N 0 0 255.361 2.682 10 30 CFEERN Clc1cccc(CON=C2CCCc3nonc32)c1 ZINC000254493468 383468055 /nfs/dbraw/zinc/46/80/55/383468055.db2.gz SSFXWOJKIIQIOF-UHFFFAOYSA-N 0 0 277.711 2.980 10 30 CFEERN CC(=O)C(C)=NOC(=O)c1cc(F)c(F)cc1Cl ZINC000254714881 383470118 /nfs/dbraw/zinc/47/01/18/383470118.db2.gz YUFXEPNNGHKLCO-UHFFFAOYSA-N 0 0 275.638 2.740 10 30 CFEERN COc1ccc(Br)c(OC)c1CC#N ZINC000260991872 383506999 /nfs/dbraw/zinc/50/69/99/383506999.db2.gz ZHXKXKLYSNCYLR-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN O=[N+]([O-])c1ccc(NN=Cc2nc3ccccc3[nH]2)cc1 ZINC000005286500 285119633 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CFEERN C=C[C@H](C)OC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000249412221 334333616 /nfs/dbraw/zinc/33/36/16/334333616.db2.gz VNNUVRZZSNLRES-SDDRHHMPSA-N 0 0 283.368 2.798 10 30 CFEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000353507106 335752008 /nfs/dbraw/zinc/75/20/08/335752008.db2.gz NISVJUDKDGPMFK-CJNGLKHVSA-N 0 0 274.364 2.648 10 30 CFEERN CCCC[C@@H](C)NC(=O)c1ccccc1C#CCCO ZINC000050890971 521005850 /nfs/dbraw/zinc/00/58/50/521005850.db2.gz AXEBUYPCOMHGAE-CQSZACIVSA-N 0 0 273.376 2.729 10 30 CFEERN C#CCN[C@@](C)(C(=O)OCC)c1ccc(C(C)(C)C)cc1 ZINC000051965506 518292198 /nfs/dbraw/zinc/29/21/98/518292198.db2.gz BPXROBJQCMZWHS-GOSISDBHSA-N 0 0 287.403 2.985 10 30 CFEERN C#CCN[C@@H](C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC000051965089 518292258 /nfs/dbraw/zinc/29/22/58/518292258.db2.gz JJOSVDDMORJUSR-GFCCVEGCSA-N 0 0 285.265 2.532 10 30 CFEERN C=C1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC000059941622 518665203 /nfs/dbraw/zinc/66/52/03/518665203.db2.gz YGOWHMIOSLSPJC-NSHDSACASA-N 0 0 283.368 2.894 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cccc(O[C@H](C)CC)c1 ZINC000049326873 518914707 /nfs/dbraw/zinc/91/47/07/518914707.db2.gz ARBWAMYDZIUVBT-CHWSQXEVSA-N 0 0 276.380 2.967 10 30 CFEERN C=CCN[C@@](C)(C(=O)OCC)c1ccc(Cl)cc1 ZINC000051962036 518958964 /nfs/dbraw/zinc/95/89/64/518958964.db2.gz OMVQFAFIRPJMHB-CQSZACIVSA-N 0 0 267.756 2.894 10 30 CFEERN C=CCN[C@](CC)(C(=O)OCC)c1ccc(F)cc1 ZINC000051962340 518961247 /nfs/dbraw/zinc/96/12/47/518961247.db2.gz IDLWCQKNRCKGAB-HNNXBMFYSA-N 0 0 265.328 2.770 10 30 CFEERN C=CCN[C@](C)(C(=O)OC)c1ccc(OC(C)C)cc1 ZINC000051961414 518961275 /nfs/dbraw/zinc/96/12/75/518961275.db2.gz SEMONDWLPUKWIN-INIZCTEOSA-N 0 0 277.364 2.638 10 30 CFEERN CC(C)NC(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691806 519712524 /nfs/dbraw/zinc/71/25/24/519712524.db2.gz GNKFYRFTBPIPLZ-UHFFFAOYSA-N 0 0 280.755 2.604 10 30 CFEERN CC(C)[C@@H](C)N(C)c1ccc(Cl)cc1/C(N)=N/O ZINC000052860554 519791335 /nfs/dbraw/zinc/79/13/35/519791335.db2.gz SJUMVUNEWKZJFI-SECBINFHSA-N 0 0 269.776 2.915 10 30 CFEERN CCCCC(=O)Nc1cc(C#CCCO)ccc1OC ZINC000049589710 519913722 /nfs/dbraw/zinc/91/37/22/519913722.db2.gz RCSNWHPHKPMXBV-UHFFFAOYSA-N 0 0 275.348 2.558 10 30 CFEERN CCNc1cc(CN(CCC#N)CC(C)C)ccn1 ZINC000052724307 520271695 /nfs/dbraw/zinc/27/16/95/520271695.db2.gz NIDCQQXYWJUNDC-UHFFFAOYSA-N 0 0 260.385 2.885 10 30 CFEERN CCOc1cccc(OCC[C@@H](C#N)NC(C)C)c1 ZINC000062450664 521402081 /nfs/dbraw/zinc/40/20/81/521402081.db2.gz NOYNOPLEXXKZNY-ZDUSSCGKSA-N 0 0 262.353 2.744 10 30 CFEERN CCOc1nc(Cl)nc(Oc2ccc(C#N)cc2)n1 ZINC000061515555 521605200 /nfs/dbraw/zinc/60/52/00/521605200.db2.gz ILMPYBQNRODIMA-UHFFFAOYSA-N 0 0 276.683 2.588 10 30 CFEERN CCC1(CC)CC(=O)N(c2ccc(F)c(C#N)c2)C1=O ZINC000051637971 521683572 /nfs/dbraw/zinc/68/35/72/521683572.db2.gz UTJUIIFEMGTXFH-UHFFFAOYSA-N 0 0 274.295 2.767 10 30 CFEERN COC(=O)c1ccc(CNc2cc(C#N)ccc2C)o1 ZINC000050429990 522040267 /nfs/dbraw/zinc/04/02/67/522040267.db2.gz LLMMIWXZQKTWAH-UHFFFAOYSA-N 0 0 270.288 2.858 10 30 CFEERN CNc1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)n1 ZINC000050728375 522619767 /nfs/dbraw/zinc/61/97/67/522619767.db2.gz VGBJFGVCPKWSFE-UHFFFAOYSA-N 0 0 286.722 2.901 10 30 CFEERN CNc1cccc(C(=O)Nc2cc(C#N)ccc2C)n1 ZINC000051071093 522652938 /nfs/dbraw/zinc/65/29/38/522652938.db2.gz FSXSMPPQRGFDQM-UHFFFAOYSA-N 0 0 266.304 2.556 10 30 CFEERN CCc1nnc(CSCc2ccc(F)cc2C#N)n1C ZINC000091029596 522753744 /nfs/dbraw/zinc/75/37/44/522753744.db2.gz YWRKFUXNDOJXPL-UHFFFAOYSA-N 0 0 290.367 2.822 10 30 CFEERN CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2nccn2C)C1 ZINC000062252001 523342522 /nfs/dbraw/zinc/34/25/22/523342522.db2.gz HMZYLJJNDHLJAL-HZSPNIEDSA-N 0 0 260.385 2.570 10 30 CFEERN COc1ccc(C#CCO)cc1COCc1ccccc1 ZINC000049619890 523519910 /nfs/dbraw/zinc/51/99/10/523519910.db2.gz LRIYKVYXYHJVJX-UHFFFAOYSA-N 0 0 282.339 2.756 10 30 CFEERN CC[C@H](C)C(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000049589674 523835696 /nfs/dbraw/zinc/83/56/96/523835696.db2.gz MMBPTLAQKYSNOO-UONOGXRCSA-N 0 0 273.376 2.644 10 30 CFEERN 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N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000069401554 526640987 /nfs/dbraw/zinc/64/09/87/526640987.db2.gz QKAPGYLXBVUOAT-CQSZACIVSA-N 0 0 276.311 2.527 10 30 CFEERN Cc1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 ZINC000069329222 526656824 /nfs/dbraw/zinc/65/68/24/526656824.db2.gz UTNYTGGPKQRGJY-UHFFFAOYSA-N 0 0 257.318 2.770 10 30 CFEERN N#Cc1ccc(OCc2ccc(F)c(C#CCO)c2)cc1 ZINC000049620446 526677403 /nfs/dbraw/zinc/67/74/03/526677403.db2.gz YWNFYQYJTDSVAU-UHFFFAOYSA-N 0 0 281.286 2.620 10 30 CFEERN N#Cc1cccc(NC(=O)Nc2cc(F)ccc2N)c1 ZINC000063202516 526720707 /nfs/dbraw/zinc/72/07/07/526720707.db2.gz NJPIGELCLWHVSK-UHFFFAOYSA-N 0 0 270.267 2.924 10 30 CFEERN N#Cc1ccccc1NC(=O)c1cccc(Cl)n1 ZINC000051072573 526743399 /nfs/dbraw/zinc/74/33/99/526743399.db2.gz PRAJNMAFTUXLFV-UHFFFAOYSA-N 0 0 257.680 2.859 10 30 CFEERN N#Cc1cnc2ccc(OCC(F)(F)F)cc2c1N ZINC000050842118 526776662 /nfs/dbraw/zinc/77/66/62/526776662.db2.gz DWRSGJYRDLIENH-UHFFFAOYSA-N 0 0 267.210 2.630 10 30 CFEERN N#Cc1nccnc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000054380243 526795319 /nfs/dbraw/zinc/79/53/19/526795319.db2.gz BVSGTSMHJDNRRB-UHFFFAOYSA-N 0 0 276.639 2.702 10 30 CFEERN Cc1nc(N)sc1SCc1cccnc1C#N ZINC000061659229 526959507 /nfs/dbraw/zinc/95/95/07/526959507.db2.gz PBFJRJGJUNVYRU-UHFFFAOYSA-N 0 0 262.363 2.593 10 30 CFEERN O=C1CCCCCCN1Cc1ccc(C#CCCO)cc1 ZINC000049618793 526970001 /nfs/dbraw/zinc/97/00/01/526970001.db2.gz VWANJXDMALSPEU-UHFFFAOYSA-N 0 0 285.387 2.713 10 30 CFEERN OCC#Cc1cccc(CN2CCCc3ccccc32)c1 ZINC000049616834 527519101 /nfs/dbraw/zinc/51/91/01/527519101.db2.gz QFSPGWMCFYYWFA-UHFFFAOYSA-N 0 0 277.367 2.983 10 30 CFEERN OCCC#Cc1cc(F)ccc1COCC(F)(F)F ZINC000049619935 527530522 /nfs/dbraw/zinc/53/05/22/527530522.db2.gz VQPNSZVIVIBBSB-UHFFFAOYSA-N 0 0 276.229 2.639 10 30 CFEERN Cc1nn(-c2ccc(N)cc2C#N)c(C)c1Br ZINC000050588545 527531549 /nfs/dbraw/zinc/53/15/49/527531549.db2.gz GXJNAPZHAQUGMN-UHFFFAOYSA-N 0 0 291.152 2.706 10 30 CFEERN OCCC#Cc1ccccc1CN1CCc2ccccc21 ZINC000049616586 527531488 /nfs/dbraw/zinc/53/14/88/527531488.db2.gz HPUDCZFPMLACTF-UHFFFAOYSA-N 0 0 277.367 2.983 10 30 CFEERN CC1(C)C[C@@H](NC(=O)NCCC2CCOCC2)C(C)(C)O1 ZINC000329256235 529136330 /nfs/dbraw/zinc/13/63/30/529136330.db2.gz XMASRDNOJBWMPF-CYBMUJFWSA-N 0 0 298.427 2.653 10 30 CFEERN COC(=O)[C@@H]1O[C@]1(C)c1cccc(Cl)c1Cl ZINC000234567065 545498630 /nfs/dbraw/zinc/49/86/30/545498630.db2.gz FTZVCXHNVWOEEV-GXSJLCMTSA-N 0 0 261.104 2.780 10 30 CFEERN C=C[C@@H](c1ccccc1)C1=CC(=O)C(OC)=CC1=O ZINC000001620483 560182969 /nfs/dbraw/zinc/18/29/69/560182969.db2.gz RGSUZUQISVAJJF-LBPRGKRZSA-N 0 0 254.285 2.565 10 30 biogenic,in-vitro CFEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccccc1Cl ZINC000234591181 567852534 /nfs/dbraw/zinc/85/25/34/567852534.db2.gz KMQNGXJFANVYEP-GHMZBOCLSA-N 0 0 261.104 2.694 10 30 CFEERN N#C[C@H](C(=O)Cc1ccc2c(c1)CCC2)c1ccccn1 ZINC000049456584 617605858 /nfs/dbraw/zinc/60/58/58/617605858.db2.gz JFWDNIDUWHVNBW-INIZCTEOSA-N 0 0 276.339 2.989 10 30 CFEERN C#CCN(C1CCCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255568555 618161370 /nfs/dbraw/zinc/16/13/70/618161370.db2.gz FWKQKCCMFXVWTP-OWBHPGMISA-N 0 0 289.400 2.865 10 30 CFEERN C[C@H](C#N)NC(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC000235176699 618188529 /nfs/dbraw/zinc/18/85/29/618188529.db2.gz ZYQOLKWMNWZUBN-MRVPVSSYSA-N 0 0 265.744 2.674 10 30 CFEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000308198386 618189844 /nfs/dbraw/zinc/18/98/44/618189844.db2.gz OGITWORJORFXLR-UONOGXRCSA-N 0 0 258.321 2.620 10 30 CFEERN N#Cc1ccccc1/C=C\C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000255695590 618265922 /nfs/dbraw/zinc/26/59/22/618265922.db2.gz FXLGQLKJWOKOKN-CZDHMLMNSA-N 0 0 296.370 2.741 10 30 CFEERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ccc(C#N)cc2)C1 ZINC000888103005 619133861 /nfs/dbraw/zinc/13/38/61/619133861.db2.gz ZDXCQKRKQTZQQW-CVEARBPZSA-N 0 0 296.374 2.865 10 30 CFEERN Cc1cc(Br)c(NCC2CC(O)C2)c(C#N)c1 ZINC000894773754 619460893 /nfs/dbraw/zinc/46/08/93/619460893.db2.gz XBWCMXMXEPPFOK-UHFFFAOYSA-N 0 0 295.180 2.812 10 30 CFEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1cccs1 ZINC000140950080 619498272 /nfs/dbraw/zinc/49/82/72/619498272.db2.gz VLJRHNHGSHZNDO-VIFPVBQESA-N 0 0 255.339 2.903 10 30 CFEERN Cc1ccc([C@H](CC=O)NC(=O)OC(C)(C)C)o1 ZINC000149092092 621939052 /nfs/dbraw/zinc/93/90/52/621939052.db2.gz XWBLTDMKVCLZQJ-JTQLQIEISA-N 0 0 253.298 2.743 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cccc(Br)n1 ZINC000164225403 622942008 /nfs/dbraw/zinc/94/20/08/622942008.db2.gz PJKJOYISNYCBOH-MWLCHTKSSA-N 0 0 280.169 2.626 10 30 CFEERN N#Cc1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000056078334 622968738 /nfs/dbraw/zinc/96/87/38/622968738.db2.gz FQKBQZLDOVBYDT-ZHACJKMWSA-N 0 0 298.367 2.649 10 30 CFEERN C#CCOCCC(=O)O[C@H](C)c1ccccc1OCC ZINC000165980155 622998771 /nfs/dbraw/zinc/99/87/71/622998771.db2.gz IWNNARFYJATULX-CYBMUJFWSA-N 0 0 276.332 2.729 10 30 CFEERN O=[N+]([O-])c1ccccc1/C=N\C[C@H]1COc2ccccc2O1 ZINC000229754529 623223109 /nfs/dbraw/zinc/22/31/09/623223109.db2.gz SSXIJBLVEYDTHT-OLWAXZHHSA-N 0 0 298.298 2.854 10 30 CFEERN C#CCOc1ccccc1OC(=O)Cc1cccc(F)c1 ZINC000171731683 623240337 /nfs/dbraw/zinc/24/03/37/623240337.db2.gz LJHNUCGSBPFKFL-UHFFFAOYSA-N 0 0 284.286 2.986 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000061890289 623240469 /nfs/dbraw/zinc/24/04/69/623240469.db2.gz BRNJIJWPKADZDJ-CBAPKCEASA-N 0 0 284.146 2.810 10 30 CFEERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](S)C[C@H]2C1 ZINC000757159035 630872101 /nfs/dbraw/zinc/87/21/01/630872101.db2.gz BBYQLTRNXSHTDY-DCAQKATOSA-N 0 0 257.399 2.952 10 30 CFEERN C#CCCOC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109185309 633903276 /nfs/dbraw/zinc/90/32/76/633903276.db2.gz ZYWGOUDMECMYPK-QWRGUYRKSA-N 0 0 250.244 2.635 10 30 CFEERN N#C[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000079831219 650622077 /nfs/dbraw/zinc/62/20/77/650622077.db2.gz RCZLKJJOZADBNV-ZDUSSCGKSA-N 0 0 251.333 2.970 10 30 CFEERN C[C@@H]1CC[C@@H](C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)O1 ZINC000123667575 641344819 /nfs/dbraw/zinc/34/48/19/641344819.db2.gz FQUHJVVHKWZUEA-ZLDLUXBVSA-N 0 0 291.322 2.619 10 30 CFEERN C#CCOc1ccc(F)cc1NC[C@@H]1CCC=CO1 ZINC000194109791 650717851 /nfs/dbraw/zinc/71/78/51/650717851.db2.gz LZVWMKLUUCJNHM-ZDUSSCGKSA-N 0 0 261.296 2.942 10 30 CFEERN C[C@@H]1CC[C@H](C(=O)OCC#Cc2ccc(Cl)cc2)O1 ZINC000126116586 642977093 /nfs/dbraw/zinc/97/70/93/642977093.db2.gz NSGAFDWWUCJYHD-BXUZGUMPSA-N 0 0 278.735 2.802 10 30 CFEERN COc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1OC ZINC000096193677 650986721 /nfs/dbraw/zinc/98/67/21/650986721.db2.gz OWTVWYHQZOBXAT-WTKPLQERSA-N 0 0 281.695 2.673 10 30 CFEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000594683723 349474200 /nfs/dbraw/zinc/47/42/00/349474200.db2.gz AYJLBTBTRBXXNJ-KBPBESRZSA-N 0 0 257.337 2.568 10 30 CFEERN C=C(C)OC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095627065 185016613 /nfs/dbraw/zinc/01/66/13/185016613.db2.gz WYGCIMQZODPNOM-UHFFFAOYSA-N 0 0 298.383 2.893 10 30 CFEERN N#Cc1cc(I)cc(OC2CC2)c1 ZINC000095734990 185023238 /nfs/dbraw/zinc/02/32/38/185023238.db2.gz HQGMWOPEGPSSKV-UHFFFAOYSA-N 0 0 285.084 2.704 10 30 CFEERN N#Cc1cnn2c1nc(-c1ccccc1)cc2Cl ZINC000124623589 187145951 /nfs/dbraw/zinc/14/59/51/187145951.db2.gz WKTUEQXCXNFSDA-UHFFFAOYSA-N 0 0 254.680 2.921 10 30 CFEERN N#Cc1c(N)[nH]cc1-c1cc(Br)cs1 ZINC000082574169 178114457 /nfs/dbraw/zinc/11/44/57/178114457.db2.gz GJJXLTZRXMDASV-UHFFFAOYSA-N 0 0 268.139 2.960 10 30 CFEERN Cc1nn(C)cc1/C=C\C(=O)c1cc2ccccc2oc1=O ZINC000096854289 185117663 /nfs/dbraw/zinc/11/76/63/185117663.db2.gz WMJOWFYUQJYKTH-FPLPWBNLSA-N 0 0 294.310 2.731 10 30 CFEERN O=C1C=CO[C@@H](c2cccc(Br)c2)C1 ZINC000069850444 346902294 /nfs/dbraw/zinc/90/22/94/346902294.db2.gz GWOJRXNBDTXTNY-LLVKDONJSA-N 0 0 253.095 2.993 10 30 CFEERN COc1ccc([C@@](O)(CC#N)c2ccccc2)cc1 ZINC000071765724 346922260 /nfs/dbraw/zinc/92/22/60/346922260.db2.gz PKLQDZSREHZODP-MRXNPFEDSA-N 0 0 253.301 2.845 10 30 CFEERN C=C(C)CN1c2ccc(NC(=O)CCC)cc2OCC1=O ZINC000012295929 136378682 /nfs/dbraw/zinc/37/86/82/136378682.db2.gz JEVRMMOVBTUUEH-UHFFFAOYSA-N 0 0 288.347 2.727 10 30 CFEERN C=CCCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000114798173 539463103 /nfs/dbraw/zinc/46/31/03/539463103.db2.gz MPSLNSXCDULNTD-NSHDSACASA-N 0 0 253.342 2.779 10 30 CFEERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(C#N)ccc1F ZINC000154352839 232224730 /nfs/dbraw/zinc/22/47/30/232224730.db2.gz DILGWIOILPLVKA-LLVKDONJSA-N 0 0 292.354 2.859 10 30 CFEERN CN(C)/C=C(/Oc1c(Cl)cccc1Cl)C(=O)C=O ZINC000097447415 185606518 /nfs/dbraw/zinc/60/65/18/185606518.db2.gz COSMCEGTYONKDT-IZZDOVSWSA-N 0 0 288.130 2.543 10 30 CFEERN C=CC(=O)Cc1ccc(I)cc1 ZINC000002579484 346207269 /nfs/dbraw/zinc/20/72/69/346207269.db2.gz LQPLITVVAGMYCV-UHFFFAOYSA-N 0 0 272.085 2.589 10 30 CFEERN COc1ccccc1C(O)(CC#N)c1ccccc1OC ZINC000034317286 346315710 /nfs/dbraw/zinc/31/57/10/346315710.db2.gz RYEUCGBDDWDUEW-UHFFFAOYSA-N 0 0 283.327 2.853 10 30 CFEERN N#C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000034234403 346315849 /nfs/dbraw/zinc/31/58/49/346315849.db2.gz HTTRFBGFJUMOKF-KFWWJZLASA-N 0 0 254.333 2.983 10 30 CFEERN N#Cc1cccc([S@@](=O)c2cccc(F)c2C#N)c1 ZINC000034418395 346316529 /nfs/dbraw/zinc/31/65/29/346316529.db2.gz NILBMKQZESSLJH-IBGZPJMESA-N 0 0 270.288 2.736 10 30 CFEERN C[C@H](C#N)C(=O)c1ccc(I)cc1 ZINC000036931545 346325042 /nfs/dbraw/zinc/32/50/42/346325042.db2.gz JSDVOZCFRCCSLQ-SSDOTTSWSA-N 0 0 285.084 2.634 10 30 CFEERN COc1ccc(C2(C#N)CCC3(CC2)OCCO3)cc1 ZINC000039188440 346341129 /nfs/dbraw/zinc/34/11/29/346341129.db2.gz CKCLQQWZUYNFPM-UHFFFAOYSA-N 0 0 273.332 2.774 10 30 CFEERN O=C1OCC[C@@H]1N=C(c1ccccc1)c1ccccc1 ZINC000039428157 346343516 /nfs/dbraw/zinc/34/35/16/346343516.db2.gz PQLBHHRCKIGQAG-HNNXBMFYSA-N 0 0 265.312 2.840 10 30 CFEERN C=C(Br)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000062640503 346690539 /nfs/dbraw/zinc/69/05/39/346690539.db2.gz MNQLAJKRZKJPBY-GHMZBOCLSA-N 0 0 260.175 2.538 10 30 CFEERN CCOCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246086 539560937 /nfs/dbraw/zinc/56/09/37/539560937.db2.gz RGQYSQMUWAZZEB-UHFFFAOYSA-N 0 0 279.137 2.713 10 30 CFEERN C=CCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1 ZINC000113655326 347767766 /nfs/dbraw/zinc/76/77/66/347767766.db2.gz SZWCGBPBGLUVGF-UHFFFAOYSA-N 0 0 279.683 2.999 10 30 CFEERN C[C@]1(COCc2ccc(OC(F)(F)F)cc2)CO1 ZINC000115606469 347780148 /nfs/dbraw/zinc/78/01/48/347780148.db2.gz RUKXTOPGAGVDRL-NSHDSACASA-N 0 0 262.227 2.891 10 30 CFEERN C=CCOC(=O)C1(O)c2ccccc2-c2ccccc21 ZINC000111917796 347757165 /nfs/dbraw/zinc/75/71/65/347757165.db2.gz ADUIIXWDQWOMBA-UHFFFAOYSA-N 0 0 266.296 2.632 10 30 CFEERN Cc1cc2ncc(C#Cc3cccc(F)c3)cn2n1 ZINC000117724513 347794145 /nfs/dbraw/zinc/79/41/45/347794145.db2.gz BEBBRQKCLZEDKX-UHFFFAOYSA-N 0 0 251.264 2.577 10 30 CFEERN C=C(C)C(=O)OCCCP(=O)(OCC)OCC ZINC000118597444 347797951 /nfs/dbraw/zinc/79/79/51/347797951.db2.gz UXDRIPNUZVNLAD-UHFFFAOYSA-N 0 0 264.258 2.762 10 30 CFEERN N/C(=N\O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC000117578096 347792763 /nfs/dbraw/zinc/79/27/63/347792763.db2.gz ZBDIFCLHIYHPRU-UHFFFAOYSA-N 0 0 281.237 2.862 10 30 CFEERN C=CCC(=O)Nc1ncc(Br)cc1C ZINC000129651084 347863688 /nfs/dbraw/zinc/86/36/88/347863688.db2.gz JFVZXQVYSHCTQX-UHFFFAOYSA-N 0 0 255.115 2.667 10 30 CFEERN CO[C@@](C)(C#N)c1ccc(Br)cc1F ZINC000132313497 347883248 /nfs/dbraw/zinc/88/32/48/347883248.db2.gz DFZRKJSNYCZAOP-JTQLQIEISA-N 0 0 258.090 2.973 10 30 CFEERN CO[C@](C)(C#N)c1ccc(Br)cc1F ZINC000132313371 347883371 /nfs/dbraw/zinc/88/33/71/347883371.db2.gz DFZRKJSNYCZAOP-SNVBAGLBSA-N 0 0 258.090 2.973 10 30 CFEERN COC(=O)c1ccc2c(c1)[C@@]1(CO1)c1ccccc1CO2 ZINC000136240233 347909427 /nfs/dbraw/zinc/90/94/27/347909427.db2.gz ZSYADUXYZGPDQP-QGZVFWFLSA-N 0 0 282.295 2.639 10 30 CFEERN CC(C)(C)OC(=O)N1CCC(C#N)(c2ccncc2)CC1 ZINC000139952870 347923077 /nfs/dbraw/zinc/92/30/77/347923077.db2.gz IZZYWTWQOOWXFS-UHFFFAOYSA-N 0 0 287.363 2.874 10 30 CFEERN C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000153609127 347973667 /nfs/dbraw/zinc/97/36/67/347973667.db2.gz OPSMPOKJNUIPLX-KBPBESRZSA-N 0 0 268.401 2.942 10 30 CFEERN C[C@@](O)(CC=O)c1ccc(Br)cc1Cl ZINC000159423464 348012543 /nfs/dbraw/zinc/01/25/43/348012543.db2.gz XIGKPZXVOXQUOH-SNVBAGLBSA-N 0 0 277.545 2.899 10 30 CFEERN C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782643 179331182 /nfs/dbraw/zinc/33/11/82/179331182.db2.gz BDUSWWMWTKQGGZ-BLLLJJGKSA-N 0 0 272.348 2.806 10 30 CFEERN N#Cc1cccn1-c1nc(Br)cs1 ZINC000160461910 348017952 /nfs/dbraw/zinc/01/79/52/348017952.db2.gz OGFBILHBHPKCSC-UHFFFAOYSA-N 0 0 254.112 2.568 10 30 CFEERN C=C(Br)COC1CCC2(CC1)OCCO2 ZINC000164142656 348035947 /nfs/dbraw/zinc/03/59/47/348035947.db2.gz OYVTWRRJIKXHHZ-UHFFFAOYSA-N 0 0 277.158 2.597 10 30 CFEERN C=CCC(C(=O)OC)(C(F)(F)F)C(F)(F)F ZINC000164088749 348036047 /nfs/dbraw/zinc/03/60/47/348036047.db2.gz NQXVZNRKBVIHBD-UHFFFAOYSA-N 0 0 250.138 2.847 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1I ZINC000167722347 348045676 /nfs/dbraw/zinc/04/56/76/348045676.db2.gz UOLKMNPXWSXZEL-UHFFFAOYSA-N 0 0 298.005 2.577 10 30 CFEERN CC#CC[C@H](O)c1cccc(I)c1 ZINC000169063408 348050051 /nfs/dbraw/zinc/05/00/51/348050051.db2.gz DVYQIFNQYPUYHV-NSHDSACASA-N 0 0 286.112 2.738 10 30 CFEERN C=C(C)C[C@@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000185626639 348128922 /nfs/dbraw/zinc/12/89/22/348128922.db2.gz DDHSEJYXFMSXPC-CQSZACIVSA-N 0 0 275.396 2.724 10 30 CFEERN N#Cc1cc(NC2C3CC4CC(C3)CC2C4)ncn1 ZINC000216984775 348164601 /nfs/dbraw/zinc/16/46/01/348164601.db2.gz NFNPCQMPCRHDNX-UHFFFAOYSA-N 0 0 254.337 2.585 10 30 CFEERN C=C(C)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000219674248 348169099 /nfs/dbraw/zinc/16/90/99/348169099.db2.gz XFQNNJYQPQLISS-UHFFFAOYSA-N 0 0 255.358 2.715 10 30 CFEERN C[C@@](C#N)(CCF)NC(=O)OCc1ccccc1 ZINC000221204025 348171342 /nfs/dbraw/zinc/17/13/42/348171342.db2.gz AEDHKYKBURAJOP-ZDUSSCGKSA-N 0 0 250.273 2.555 10 30 CFEERN C[C@@H]1CCN1c1cc(Br)ccc1C#N ZINC000235293349 348225982 /nfs/dbraw/zinc/22/59/82/348225982.db2.gz LUIFCHRQXLHWAN-MRVPVSSYSA-N 0 0 251.127 2.919 10 30 CFEERN COc1cc(C#N)ccc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000231753313 348208935 /nfs/dbraw/zinc/20/89/35/348208935.db2.gz HVZGQTUZNSNIQV-ZYHUDNBSSA-N 0 0 258.321 2.942 10 30 CFEERN CC#CC(=O)Nc1cc(F)ccc1Br ZINC000232640134 348212709 /nfs/dbraw/zinc/21/27/09/348212709.db2.gz WBAAVKWBBCUYQD-UHFFFAOYSA-N 0 0 256.074 2.550 10 30 CFEERN N#Cc1ccnc(Br)c1OC(F)(F)F ZINC000238519174 348246575 /nfs/dbraw/zinc/24/65/75/348246575.db2.gz LQHPKZKOFGFMKX-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN Cc1ccc(CC#N)cc1I ZINC000238463664 348246653 /nfs/dbraw/zinc/24/66/53/348246653.db2.gz FGYQSSNFTFQDHN-UHFFFAOYSA-N 0 0 257.074 2.666 10 30 CFEERN O=CCc1ccc(Br)c(Cl)c1F ZINC000236141086 348232021 /nfs/dbraw/zinc/23/20/21/348232021.db2.gz LVAFVFJGTURWCM-UHFFFAOYSA-N 0 0 251.482 2.983 10 30 CFEERN C#C[C@@H](C)Nc1cccc(F)c1I ZINC000300889345 348370606 /nfs/dbraw/zinc/37/06/06/348370606.db2.gz BFXMABWPPUDXGH-SSDOTTSWSA-N 0 0 289.091 2.864 10 30 CFEERN C=C[C@@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000304225327 348377841 /nfs/dbraw/zinc/37/78/41/348377841.db2.gz YNCOSAPVRCEGLO-JOYOIKCWSA-N 0 0 253.729 2.718 10 30 CFEERN N#CCc1c(F)c(Br)ccc1[N+](=O)[O-] ZINC000306181523 348384362 /nfs/dbraw/zinc/38/43/62/348384362.db2.gz PLWOTZJIYIKJOQ-UHFFFAOYSA-N 0 0 259.034 2.562 10 30 CFEERN Cc1cc(Br)ccc1CN[C@H](C)C#N ZINC000306249865 348385454 /nfs/dbraw/zinc/38/54/54/348385454.db2.gz RIKNZXQUVNJSBG-SECBINFHSA-N 0 0 253.143 2.759 10 30 CFEERN Cc1nc(N[C@H]2CCc3cc(N)ccc32)ccc1C#N ZINC000312485525 348419409 /nfs/dbraw/zinc/41/94/09/348419409.db2.gz OLRNOOISXIQAKA-HNNXBMFYSA-N 0 0 264.332 2.943 10 30 CFEERN C[C@H](C#N)[C@H](O)c1cccc(F)c1Br ZINC000306554785 348389357 /nfs/dbraw/zinc/38/93/57/348389357.db2.gz LOTXQKFSYQJFCZ-LDWIPMOCSA-N 0 0 258.090 2.781 10 30 CFEERN O=C(CS)Nc1cc(Cl)cc(Br)c1 ZINC000307412471 348399314 /nfs/dbraw/zinc/39/93/14/348399314.db2.gz SMJYMFIVFPUBTF-UHFFFAOYSA-N 0 0 280.574 2.971 10 30 CFEERN Cc1nc(C)c(C(=O)NC[C@H]2CCn3ccnc3C2)s1 ZINC000328638824 348442006 /nfs/dbraw/zinc/44/20/06/348442006.db2.gz WNPCHWVMIQLNPD-NSHDSACASA-N 0 0 290.392 2.524 10 30 CFEERN N#CCNC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000584593964 348682257 /nfs/dbraw/zinc/68/22/57/348682257.db2.gz KOBSENHVVIUBFO-OAHLLOKOSA-N 0 0 256.349 2.990 10 30 CFEERN C#CC(OC(=O)NC)(c1ccccc1)c1ccccc1 ZINC000584600916 348685596 /nfs/dbraw/zinc/68/55/96/348685596.db2.gz RJZXABWLIWAYDE-UHFFFAOYSA-N 0 0 265.312 2.919 10 30 CFEERN C[C@H]1C[C@H]1C(=O)Nc1cnc(-c2ccc(C#N)c(F)c2)cn1 ZINC000584602050 348685629 /nfs/dbraw/zinc/68/56/29/348685629.db2.gz OIGJHJJQNSBGIJ-JOYOIKCWSA-N 0 0 296.305 2.749 10 30 CFEERN C=C[C@H](C)O[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000584603121 348686376 /nfs/dbraw/zinc/68/63/76/348686376.db2.gz LZGJAKNAUSFIGO-CMPLNLGQSA-N 0 0 294.284 2.733 10 30 CFEERN C[C@@H](COc1ccc2ccccc2c1)NC=NC#N ZINC000584605507 348687829 /nfs/dbraw/zinc/68/78/29/348687829.db2.gz UWHWZUSNJOVXIG-LBPRGKRZSA-N 0 0 253.305 2.706 10 30 CFEERN C[C@@H](C#N)N(C)C(=O)N(C)c1ccc(Cl)cc1 ZINC000584613317 348689949 /nfs/dbraw/zinc/68/99/49/348689949.db2.gz FLAXTOFGOMCXDN-VIFPVBQESA-N 0 0 251.717 2.740 10 30 CFEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(Cl)nc2)c1 ZINC000584618198 348691529 /nfs/dbraw/zinc/69/15/29/348691529.db2.gz CVECPEQWQSAPRX-UHFFFAOYSA-N 0 0 296.717 2.854 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cnc(Cl)cn1 ZINC000584628788 348694458 /nfs/dbraw/zinc/69/44/58/348694458.db2.gz VHZATGCFGFARAV-OLZOCXBDSA-N 0 0 287.750 2.903 10 30 CFEERN COc1ccc([C@@H](CCO)[C@@H](C#N)c2ccccn2)cc1 ZINC000584628753 348694758 /nfs/dbraw/zinc/69/47/58/348694758.db2.gz QZYUWVQZSOQBJG-HZPDHXFCSA-N 0 0 282.343 2.864 10 30 CFEERN CS(=O)(=O)O[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000584631334 348695737 /nfs/dbraw/zinc/69/57/37/348695737.db2.gz LSOXTWQJSBIOQB-ZDUSSCGKSA-N 0 0 270.325 2.738 10 30 CFEERN Cc1ccc(C2=CC[C@@H](OS(C)(=O)=O)CC2)cc1 ZINC000584631277 348696148 /nfs/dbraw/zinc/69/61/48/348696148.db2.gz HURFLRZQRDYKDT-CQSZACIVSA-N 0 0 266.362 2.907 10 30 CFEERN N#C[C@@H](c1ccccc1)[C@H](CCO)c1cccnc1F ZINC000584634003 348697195 /nfs/dbraw/zinc/69/71/95/348697195.db2.gz WTUIQLQFQKOXND-HIFRSBDPSA-N 0 0 270.307 2.994 10 30 CFEERN N#Cc1ccc([S@](=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584635950 348697935 /nfs/dbraw/zinc/69/79/35/348697935.db2.gz WZRVCFZYKLWUAG-IBGZPJMESA-N 0 0 272.285 2.633 10 30 CFEERN N#C[C@@H](c1ccccc1F)[C@H](CCO)c1cnco1 ZINC000584638481 348699509 /nfs/dbraw/zinc/69/95/09/348699509.db2.gz DBGDLHVPDFWDRP-RYUDHWBXSA-N 0 0 260.268 2.587 10 30 CFEERN C[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](CF)O1 ZINC000584640780 348700211 /nfs/dbraw/zinc/70/02/11/348700211.db2.gz WPTBOUKXAITFTJ-WCQYABFASA-N 0 0 285.322 2.670 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cnccc1C(F)(F)F ZINC000594306836 349406703 /nfs/dbraw/zinc/40/67/03/349406703.db2.gz WOGKZYBQJNINBI-KWQFWETISA-N 0 0 283.253 2.522 10 30 CFEERN C#Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000090628154 180016447 /nfs/dbraw/zinc/01/64/47/180016447.db2.gz AUFFJEVKDNQDKL-UHFFFAOYSA-N 0 0 281.336 2.860 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000599417831 350433623 /nfs/dbraw/zinc/43/36/23/350433623.db2.gz WBJSHEQJWFBGIQ-MWLCHTKSSA-N 0 0 269.270 2.882 10 30 CFEERN C[C@@H]1C[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000110697985 186314042 /nfs/dbraw/zinc/31/40/42/186314042.db2.gz VHCYERPMBVNFAE-DOMZBBRYSA-N 0 0 272.348 2.632 10 30 CFEERN N#Cc1cc(F)ccc1N[C@H](CO)c1ccccc1 ZINC000111026894 186345923 /nfs/dbraw/zinc/34/59/23/186345923.db2.gz UZLBXKOALRTTRH-OAHLLOKOSA-N 0 0 256.280 2.843 10 30 CFEERN CCOC(=O)C(Cl)=NNc1ccc(OC)c(Cl)c1 ZINC000606206196 351260092 /nfs/dbraw/zinc/26/00/92/351260092.db2.gz OHIUBPODGGOZOS-UHFFFAOYSA-N 0 0 291.134 2.876 10 30 CFEERN CCOC(=O)C(Cl)=NNc1ccc(OCC)cc1 ZINC000606206201 351260161 /nfs/dbraw/zinc/26/01/61/351260161.db2.gz XIUUHZQUONNURX-UHFFFAOYSA-N 0 0 270.716 2.613 10 30 CFEERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000122465526 187034026 /nfs/dbraw/zinc/03/40/26/187034026.db2.gz NARCILSBOMPGBM-VIFPVBQESA-N 0 0 265.338 2.654 10 30 CFEERN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000245934709 540041574 /nfs/dbraw/zinc/04/15/74/540041574.db2.gz TUSUOBOKPNBPBH-BFHYXJOUSA-N 0 0 268.401 2.582 10 30 CFEERN N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1 ZINC000021985777 283077608 /nfs/dbraw/zinc/07/76/08/283077608.db2.gz MNSRKIHEJKWAMT-UHFFFAOYSA-N 0 0 254.680 2.728 10 30 CFEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000125403632 283083855 /nfs/dbraw/zinc/08/38/55/283083855.db2.gz UMOWRQVPWVSHPV-CQSZACIVSA-N 0 0 283.306 2.833 10 30 CFEERN C[C@@H]1C[C@@H](O)CN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000335234558 297289576 /nfs/dbraw/zinc/28/95/76/297289576.db2.gz BLRNOSJVQYGBDA-BXKDBHETSA-N 0 0 284.281 2.784 10 30 CFEERN C=C(C)CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218845872 540660445 /nfs/dbraw/zinc/66/04/45/540660445.db2.gz YWVAWNMMUAKOAQ-LLVKDONJSA-N 0 0 253.342 2.779 10 30 CFEERN CC(C)c1nnc(COc2cccc(F)c2C#N)n1C ZINC000178997058 189160558 /nfs/dbraw/zinc/16/05/58/189160558.db2.gz NWFCXZTZSXCSBS-UHFFFAOYSA-N 0 0 274.299 2.528 10 30 CFEERN C=CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000150804939 260585778 /nfs/dbraw/zinc/58/57/78/260585778.db2.gz SYUCHEWRXVDVAW-BXUZGUMPSA-N 0 0 261.321 2.757 10 30 CFEERN C=CCCS(=O)(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180591396 189263830 /nfs/dbraw/zinc/26/38/30/189263830.db2.gz AKCRJNVQOKPVCF-SWLSCSKDSA-N 0 0 279.405 2.724 10 30 CFEERN N#Cc1cccc(Cl)c1NCCCCn1cnnc1 ZINC000301459356 201016007 /nfs/dbraw/zinc/01/60/07/201016007.db2.gz IMVFRQMGMARFKF-UHFFFAOYSA-N 0 0 275.743 2.695 10 30 CFEERN Cc1cc(NC[C@@H](O)c2ccc(F)cc2)c(C#N)c(C)n1 ZINC000301683686 201135038 /nfs/dbraw/zinc/13/50/38/201135038.db2.gz STLMVVSYCKTIGM-MRXNPFEDSA-N 0 0 285.322 2.855 10 30 CFEERN CNC(=O)c1cccc(CNc2cc(C)nc(C)c2C#N)c1 ZINC000301767763 201184264 /nfs/dbraw/zinc/18/42/64/201184264.db2.gz HXQIEKUCQIOAGX-UHFFFAOYSA-N 0 0 294.358 2.542 10 30 CFEERN CO[C@H]1CCC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000301770765 201186077 /nfs/dbraw/zinc/18/60/77/201186077.db2.gz JMBITOXLFCRNCO-STQMWFEESA-N 0 0 259.353 2.940 10 30 CFEERN C[C@]1(C(=O)N[C@H]2COc3ccc(F)cc32)CCCNC1=O ZINC000330300219 291347018 /nfs/dbraw/zinc/34/70/18/291347018.db2.gz IICYGWFGFLZBEC-NHYWBVRUSA-N 0 0 292.310 2.972 10 30 CFEERN C=C(Cl)CC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000685958822 541473040 /nfs/dbraw/zinc/47/30/40/541473040.db2.gz BUVPAWUTCMZYRI-UHFFFAOYSA-N 0 0 273.760 2.955 10 30 CFEERN C/C=C/C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000685959264 541473604 /nfs/dbraw/zinc/47/36/04/541473604.db2.gz PVNHLLYMYNGYIS-QRGHLMKCSA-N 0 0 253.342 2.779 10 30 CFEERN C/C=C/C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000685959568 541473950 /nfs/dbraw/zinc/47/39/50/541473950.db2.gz ZZPMYHWFGHJQPL-HQVCXTMKSA-N 0 0 253.342 2.825 10 30 CFEERN C/C=C/C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000685959543 541474296 /nfs/dbraw/zinc/47/42/96/541474296.db2.gz ZNVADNHODWQAJP-JYLGIWJRSA-N 0 0 253.342 2.777 10 30 CFEERN N#Cc1nc(NCCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000302767297 201545142 /nfs/dbraw/zinc/54/51/42/201545142.db2.gz LZLHVPCNUYEVGF-UHFFFAOYSA-N 0 0 298.302 2.742 10 30 CFEERN C[C@@H]1C[C@@H](O)CN(c2cccc(Br)c2C#N)C1 ZINC000336275529 288573007 /nfs/dbraw/zinc/57/30/07/288573007.db2.gz UMCLITJDZXCOBI-NXEZZACHSA-N 0 0 295.180 2.528 10 30 CFEERN O=C(NO)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000226290917 189771629 /nfs/dbraw/zinc/77/16/29/189771629.db2.gz VGADERGQCOJFNB-UHFFFAOYSA-N 0 0 281.267 2.579 10 30 CFEERN CCC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCC1 ZINC000232952052 189819278 /nfs/dbraw/zinc/81/92/78/189819278.db2.gz NNAPUHOUUPXSIX-UHFFFAOYSA-N 0 0 260.297 2.854 10 30 CFEERN C[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235646490 189829536 /nfs/dbraw/zinc/82/95/36/189829536.db2.gz DRYMSIMSARUVED-VHSXEESVSA-N 0 0 260.297 2.852 10 30 CFEERN C#Cc1cccc(Nc2ncnc3ccc(N)cc32)c1 ZINC000000021569 371509544 /nfs/dbraw/zinc/50/95/44/371509544.db2.gz NRKMCAKKJSZIRN-UHFFFAOYSA-N 0 0 260.300 2.937 10 30 CFEERN C=CCOc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC000005601051 371883899 /nfs/dbraw/zinc/88/38/99/371883899.db2.gz QWGWZLKJBIRBRF-UHFFFAOYSA-N 0 0 280.279 2.732 10 30 CFEERN C/C(=N\O)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000019817593 372192088 /nfs/dbraw/zinc/19/20/88/372192088.db2.gz CGILPPLSKBYHJQ-LDADJPATSA-N 0 0 290.363 2.713 10 30 CFEERN CCCOc1ccc(/C(C)=N/O)cc1CN1CCOCC1 ZINC000026953018 372333682 /nfs/dbraw/zinc/33/36/82/372333682.db2.gz UVYZIEORZQYCLF-GHRIWEEISA-N 0 0 292.379 2.506 10 30 CFEERN CC(C)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000033694057 372498567 /nfs/dbraw/zinc/49/85/67/372498567.db2.gz OLAAYKNHENDEPM-UHFFFAOYSA-N 0 0 271.364 2.662 10 30 CFEERN CCn1ncc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c1C ZINC000033797178 372499546 /nfs/dbraw/zinc/49/95/46/372499546.db2.gz ICSYSGYUHTUKFR-GQCTYLIASA-N 0 0 298.342 2.879 10 30 CFEERN OC[C@H](/N=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000034753201 372514933 /nfs/dbraw/zinc/51/49/33/372514933.db2.gz FJEYOSFEAJTKGM-VEJKBTLKSA-N 0 0 269.300 2.568 10 30 CFEERN Cc1cc(C)c(C)c(Oc2ccc(/C(N)=N/O)cn2)c1 ZINC000034940041 372520231 /nfs/dbraw/zinc/52/02/31/372520231.db2.gz AWWKMBCXPUEYOM-UHFFFAOYSA-N 0 0 271.320 2.894 10 30 CFEERN N#Cc1ccc(COCCc2ccccn2)c(F)c1 ZINC000034958487 372521975 /nfs/dbraw/zinc/52/19/75/372521975.db2.gz LVKCOFYVTZXGAK-UHFFFAOYSA-N 0 0 256.280 2.852 10 30 CFEERN Cc1c(Cl)cccc1/N=C1\SCC(=O)N1C ZINC000218707189 291547870 /nfs/dbraw/zinc/54/78/70/291547870.db2.gz FKBBRCOZDFFNKB-QBFSEMIESA-N 0 0 254.742 2.841 10 30 CFEERN N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000037998966 372757843 /nfs/dbraw/zinc/75/78/43/372757843.db2.gz WLVVVYMEFDDLKR-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)s1 ZINC000061888641 373734065 /nfs/dbraw/zinc/73/40/65/373734065.db2.gz JOYKQHQXTVBXTF-JGVFFNPUSA-N 0 0 299.193 2.933 10 30 CFEERN COc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889022 373735275 /nfs/dbraw/zinc/73/52/75/373735275.db2.gz VCCJNZABWREWRT-CABZTGNLSA-N 0 0 278.739 2.771 10 30 CFEERN Cc1c(C)n(C)c2ccc(C(=O)N(C)CCC#N)cc12 ZINC000064551807 373828799 /nfs/dbraw/zinc/82/87/99/373828799.db2.gz JYNFGQDNOJRNFX-UHFFFAOYSA-N 0 0 269.348 2.781 10 30 CFEERN N#C[C@H]1CCCN1Cc1sccc1Br ZINC000070662312 374200526 /nfs/dbraw/zinc/20/05/26/374200526.db2.gz ZSMVQXXKHOKCIW-MRVPVSSYSA-N 0 0 271.183 2.999 10 30 CFEERN N#Cc1cc2c([nH]c1=S)C[C@H](c1ccco1)CC2=O ZINC000072416531 374249896 /nfs/dbraw/zinc/24/98/96/374249896.db2.gz XCNXQMZHVZKJSA-QMMMGPOBSA-N 0 0 270.313 2.748 10 30 CFEERN C[C@@H]1C[C@@H]1NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000076055103 374524826 /nfs/dbraw/zinc/52/48/26/374524826.db2.gz QNQZLNWJEVMCFQ-MFKMUULPSA-N 0 0 296.292 2.765 10 30 CFEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccc(Cl)s1 ZINC000093050703 375180178 /nfs/dbraw/zinc/18/01/78/375180178.db2.gz OIFSTFPXUURIPA-QMMMGPOBSA-N 0 0 292.813 2.686 10 30 CFEERN CC(C)(C)OC(=O)NC[C@](C)(C=O)c1ccccc1 ZINC000098095992 375601999 /nfs/dbraw/zinc/60/19/99/375601999.db2.gz OXJWRDGHVBHHEL-OAHLLOKOSA-N 0 0 263.337 2.668 10 30 CFEERN C=CCN1CCc2c(Br)cccc2C1=O ZINC000098179912 375608534 /nfs/dbraw/zinc/60/85/34/375608534.db2.gz PJBUVUFVNIVPOO-UHFFFAOYSA-N 0 0 266.138 2.633 10 30 CFEERN C/C(=N/O)[C@H]1COc2ccc(Br)cc21 ZINC000102184826 375666832 /nfs/dbraw/zinc/66/68/32/375666832.db2.gz 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/nfs/dbraw/zinc/77/96/14/377779614.db2.gz OCCWPXOFYPHBCQ-CQSZACIVSA-N 0 0 272.377 2.690 10 30 CFEERN N#Cc1cc(N2CC[C@H](CCO)C2)ccc1C(F)(F)F ZINC000133451576 377931872 /nfs/dbraw/zinc/93/18/72/377931872.db2.gz LTYACKQUGUJTEW-SNVBAGLBSA-N 0 0 284.281 2.786 10 30 CFEERN Cc1cc(NCc2ccc3c(c2)OCO3)c(C#N)c(C)n1 ZINC000133746526 377954520 /nfs/dbraw/zinc/95/45/20/377954520.db2.gz DZYGPTPWVFGOLN-UHFFFAOYSA-N 0 0 281.315 2.911 10 30 CFEERN C=CCC(CC=C)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000134023666 377976582 /nfs/dbraw/zinc/97/65/82/377976582.db2.gz CTYMCZWFUMRIKM-CQSZACIVSA-N 0 0 273.380 2.504 10 30 CFEERN C=C[C@](C)(CC)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000135062493 378079379 /nfs/dbraw/zinc/07/93/79/378079379.db2.gz LFRMYQVIXINZTF-MRXNPFEDSA-N 0 0 275.396 2.724 10 30 CFEERN N#Cc1cc(N2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000136946711 378213944 /nfs/dbraw/zinc/21/39/44/378213944.db2.gz VIQGHKLKVWRYMC-LLVKDONJSA-N 0 0 270.254 2.538 10 30 CFEERN C=CCC(CC=C)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000153088240 378473531 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CFEERN COC(=O)Cc1cc(Cl)c(C(F)(F)F)c(C#N)c1 ZINC000575383118 382763405 /nfs/dbraw/zinc/76/34/05/382763405.db2.gz IFJFACIJVFJUMP-UHFFFAOYSA-N 0 0 277.629 2.946 10 30 CFEERN COC(=O)Cc1cc(Cl)c(OC(F)(F)F)c(C#N)c1 ZINC000575383406 382763608 /nfs/dbraw/zinc/76/36/08/382763608.db2.gz TWVVVCOMIABVOY-UHFFFAOYSA-N 0 0 293.628 2.826 10 30 CFEERN COC(=O)Cc1ccc(OC(F)F)c(C#N)c1C(F)F ZINC000575385226 382763852 /nfs/dbraw/zinc/76/38/52/382763852.db2.gz DUEQGPGPUDBYNE-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1OC(F)F ZINC000575385339 382763908 /nfs/dbraw/zinc/76/39/08/382763908.db2.gz LWCHMMOQHOZVRK-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCc1cc(C(=O)OC)c(OC(F)F)cc1C#N ZINC000575385252 382763912 /nfs/dbraw/zinc/76/39/12/382763912.db2.gz GPFYUWCBEVXIQM-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1CC ZINC000575385343 382763925 /nfs/dbraw/zinc/76/39/25/382763925.db2.gz LYOFDNKTGLZEFK-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)Cc1cc(CC)c(C#N)c(OC(F)F)c1 ZINC000575385387 382764253 /nfs/dbraw/zinc/76/42/53/382764253.db2.gz NUULKGZZADEMOP-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN CCOC(=O)c1c(C#N)cc(CC)cc1OC(F)F ZINC000575385446 382764271 /nfs/dbraw/zinc/76/42/71/382764271.db2.gz RCBVAWVULZULLG-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C)c(OC(F)F)c1 ZINC000575387265 382764436 /nfs/dbraw/zinc/76/44/36/382764436.db2.gz GHSVSGCIMFNWLD-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN COC(=O)c1c(OC(F)F)ccc(C#N)c1C(F)(F)F ZINC000575387093 382764545 /nfs/dbraw/zinc/76/45/45/382764545.db2.gz USVIXMNXXLLXET-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1cc(C#N)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575386967 382764551 /nfs/dbraw/zinc/76/45/51/382764551.db2.gz SLHNEFGLAZCJRX-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1OC(F)F ZINC000575386880 382764580 /nfs/dbraw/zinc/76/45/80/382764580.db2.gz MTNYOJFPTYHPLC-UHFFFAOYSA-N 0 0 295.163 2.965 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1C ZINC000575388585 382764806 /nfs/dbraw/zinc/76/48/06/382764806.db2.gz YTYMNUPPNXKOQU-UHFFFAOYSA-N 0 0 269.247 2.574 10 30 CFEERN CCc1ccc(OC(F)(F)F)c(C#N)c1CC(=O)OC ZINC000575388789 382765141 /nfs/dbraw/zinc/76/51/41/382765141.db2.gz FWCBLJICFOBZFX-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1cc(OC(F)(F)F)c(C(=O)OC)cc1C#N ZINC000575388910 382765295 /nfs/dbraw/zinc/76/52/95/382765295.db2.gz KOSZXTXNFPXIDC-UHFFFAOYSA-N 0 0 273.210 2.806 10 30 CFEERN CCOC(=O)c1c(C(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575389222 382765411 /nfs/dbraw/zinc/76/54/11/382765411.db2.gz GFBUJHSGQGUPSW-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCc1ccc(C#N)c(CC(=O)OC)c1C(F)(F)F ZINC000575389280 382765538 /nfs/dbraw/zinc/76/55/38/382765538.db2.gz DTYADTZWAOTWRH-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCc1cc(C(F)F)cc(CC(=O)OC)c1C#N ZINC000575389392 382765591 /nfs/dbraw/zinc/76/55/91/382765591.db2.gz FULRWPXGWBFSOH-UHFFFAOYSA-N 0 0 253.248 2.774 10 30 CFEERN CCc1c(C#N)ccc(C(F)(F)F)c1CC(=O)OC ZINC000575389570 382765772 /nfs/dbraw/zinc/76/57/72/382765772.db2.gz JONUINKTJMCIPT-UHFFFAOYSA-N 0 0 271.238 2.855 10 30 CFEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1C(F)F ZINC000575389516 382765799 /nfs/dbraw/zinc/76/57/99/382765799.db2.gz SKEXGDDGLPXRGV-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1ccc(F)c(C(F)F)c1C#N ZINC000575389704 382765809 /nfs/dbraw/zinc/76/58/09/382765809.db2.gz KVLOZYWUUPUNIU-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1c(C#N)c([N+](=O)[O-])ccc1C(F)F ZINC000575389483 382765815 /nfs/dbraw/zinc/76/58/15/382765815.db2.gz PYQOISWZFFIONT-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)Cc1ccc(F)c(C#N)c1C(F)F ZINC000575389778 382766088 /nfs/dbraw/zinc/76/60/88/382766088.db2.gz RNKDTJDJENSMCR-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1F ZINC000575389765 382766099 /nfs/dbraw/zinc/76/60/99/382766099.db2.gz QMCLRTSQKKKPEY-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1cc(F)c(C(F)F)c(C#N)c1 ZINC000575390012 382766169 /nfs/dbraw/zinc/76/61/69/382766169.db2.gz ZXWIYVAXGNAWTC-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)Cc1c(F)cc(C#N)cc1C(F)F ZINC000575389727 382766229 /nfs/dbraw/zinc/76/62/29/382766229.db2.gz NCZICILYMPPXLH-UHFFFAOYSA-N 0 0 257.211 2.741 10 30 CFEERN CCOC(=O)c1c(C#N)c(C=O)ccc1C(F)(F)F ZINC000575390884 382766367 /nfs/dbraw/zinc/76/63/67/382766367.db2.gz IFJDODSHQQJQBC-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(OC(F)(F)F)c1F ZINC000575390451 382766440 /nfs/dbraw/zinc/76/64/40/382766440.db2.gz MLDCRIMPCQEMSS-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCOC(=O)c1cc(C=O)cc(C#N)c1C(F)(F)F ZINC000575390844 382766454 /nfs/dbraw/zinc/76/64/54/382766454.db2.gz FJZLYDRVCQULED-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)Cc1c(O)ccc(C#N)c1SC(F)(F)F ZINC000575391704 382766687 /nfs/dbraw/zinc/76/66/87/382766687.db2.gz GULPKYXTCGYUOC-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1ccc(SC(F)(F)F)c(C#N)c1C=O ZINC000575391759 382766689 /nfs/dbraw/zinc/76/66/89/382766689.db2.gz SITXPZCYOMDKBI-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)Cc1cc(SC(F)(F)F)cc(O)c1C#N ZINC000575391678 382766710 /nfs/dbraw/zinc/76/67/10/382766710.db2.gz DOYACCXGYONOFH-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN COC(=O)c1c(O)c(SC(F)(F)F)ccc1C#N ZINC000575391694 382766712 /nfs/dbraw/zinc/76/67/12/382766712.db2.gz GBEHXSZRJYOLNW-UHFFFAOYSA-N 0 0 277.223 2.662 10 30 CFEERN COC(=O)Cc1cc(O)c(SC(F)(F)F)c(C#N)c1 ZINC000575391707 382766796 /nfs/dbraw/zinc/76/67/96/382766796.db2.gz GXJCEDMQTVCHQF-UHFFFAOYSA-N 0 0 291.250 2.591 10 30 CFEERN CCOC(=O)c1c(C#N)ccc(OC)c1C(F)(F)F ZINC000575394340 382768286 /nfs/dbraw/zinc/76/82/86/382768286.db2.gz IHFRBDRIRZTZKU-UHFFFAOYSA-N 0 0 273.210 2.762 10 30 CFEERN COC(=O)Cc1c(C#N)cc(Cl)cc1C(F)F ZINC000575712860 382793853 /nfs/dbraw/zinc/79/38/53/382793853.db2.gz LZIUGEUXILAOCR-UHFFFAOYSA-N 0 0 259.639 2.865 10 30 CFEERN COC(=O)Cc1c(C)c(C#N)ccc1C(F)(F)F ZINC000575394752 382768428 /nfs/dbraw/zinc/76/84/28/382768428.db2.gz NMNNJUAZXDMCJC-UHFFFAOYSA-N 0 0 257.211 2.601 10 30 CFEERN CCOC(=O)Cc1cc(OC)c(C#N)c(C(F)(F)F)c1 ZINC000575394923 382768591 /nfs/dbraw/zinc/76/85/91/382768591.db2.gz UBYFXEHNAWOFRQ-UHFFFAOYSA-N 0 0 287.237 2.691 10 30 CFEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575395938 382768772 /nfs/dbraw/zinc/76/87/72/382768772.db2.gz XBDSMVOQEVLEPR-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575395785 382768840 /nfs/dbraw/zinc/76/88/40/382768840.db2.gz QQOZMCCEXNHSRI-UHFFFAOYSA-N 0 0 288.181 2.662 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C)c1C(F)(F)F ZINC000575395298 382768933 /nfs/dbraw/zinc/76/89/33/382768933.db2.gz XBFAFTOLVHILFB-UHFFFAOYSA-N 0 0 271.238 2.991 10 30 CFEERN N#Cc1ccc(/C=C\I)cc1 ZINC000219475365 382794130 /nfs/dbraw/zinc/79/41/30/382794130.db2.gz XOAMKTRRHJIJDB-WAYWQWQTSA-N 0 0 255.058 2.964 10 30 CFEERN C[C@@H]1SCCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496437 382773145 /nfs/dbraw/zinc/77/31/45/382773145.db2.gz KRWWPNXYTFBPIY-JOYOIKCWSA-N 0 0 256.371 2.689 10 30 CFEERN CC(C)n1c(C#N)nc2ccc(Br)cc2c1=O ZINC000575601939 382774954 /nfs/dbraw/zinc/77/49/54/382774954.db2.gz BKWAPVUPYKYGFR-UHFFFAOYSA-N 0 0 292.136 2.612 10 30 CFEERN CCOc1cc(C#N)c(CC#N)c(OC(F)F)c1 ZINC000575639474 382776475 /nfs/dbraw/zinc/77/64/75/382776475.db2.gz RIUYSICXTIXOPE-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1ccc(OC(F)F)c(C#N)c1CC#N ZINC000575638825 382776493 /nfs/dbraw/zinc/77/64/93/382776493.db2.gz KKKLTZLYLXFWNV-UHFFFAOYSA-N 0 0 252.220 2.624 10 30 CFEERN CCOc1cc(CC#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575657559 382780016 /nfs/dbraw/zinc/78/00/16/382780016.db2.gz KAVMPCXRWUZCNU-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1ccc(CC#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575657936 382780255 /nfs/dbraw/zinc/78/02/55/382780255.db2.gz NKDYCBXGZNDBRE-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c(OC(F)F)ccc(CC#N)c1[N+](=O)[O-] ZINC000575658640 382780284 /nfs/dbraw/zinc/78/02/84/382780284.db2.gz QXVQRMQRVOYNEY-UHFFFAOYSA-N 0 0 272.207 2.661 10 30 CFEERN CCOc1c(OC(F)F)ccc(CC#N)c1OC ZINC000575658678 382780328 /nfs/dbraw/zinc/78/03/28/382780328.db2.gz WCRYXPXPFLDOPI-UHFFFAOYSA-N 0 0 257.236 2.761 10 30 CFEERN CCc1c(CC#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575659329 382780562 /nfs/dbraw/zinc/78/05/62/382780562.db2.gz FVJBPYGFYFPBIU-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN CCc1c([N+](=O)[O-])ccc(CC#N)c1OC(F)F ZINC000575659531 382780608 /nfs/dbraw/zinc/78/06/08/382780608.db2.gz IAMGEMNVTZZBPF-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1c(N)ccc(OC(F)(F)F)c1OC(F)F ZINC000575716448 382794896 /nfs/dbraw/zinc/79/48/96/382794896.db2.gz AZDPRCVSWNHWPK-UHFFFAOYSA-N 0 0 282.168 2.835 10 30 CFEERN CCc1c(CC#N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575660827 382781083 /nfs/dbraw/zinc/78/10/83/382781083.db2.gz ZZXACXDSZMCPHO-UHFFFAOYSA-N 0 0 256.208 2.825 10 30 CFEERN N#CCc1cc(I)cc(Cl)c1N ZINC000575715925 382794965 /nfs/dbraw/zinc/79/49/65/382794965.db2.gz ZHMMBQVXEZVICD-UHFFFAOYSA-N 0 0 292.507 2.593 10 30 CFEERN CCOc1cc([N+](=O)[O-])cc(C(F)F)c1CC#N ZINC000575665297 382782328 /nfs/dbraw/zinc/78/23/28/382782328.db2.gz DNMGTSNWBAAIQZ-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc(C(F)F)c(CC#N)c([N+](=O)[O-])c1 ZINC000575664971 382782383 /nfs/dbraw/zinc/78/23/83/382782383.db2.gz BMNMMBQUAQLAQC-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc(C(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575666963 382782843 /nfs/dbraw/zinc/78/28/43/382782843.db2.gz HNFOFUVVCIZPGD-UHFFFAOYSA-N 0 0 256.208 2.997 10 30 CFEERN CCOc1cc(C#N)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575670432 382783487 /nfs/dbraw/zinc/78/34/87/382783487.db2.gz HNAPPYOXIWALKY-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575670798 382783570 /nfs/dbraw/zinc/78/35/70/382783570.db2.gz MEIQLRWTHSCSJG-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN CCOC(=O)Cc1cc(OCC)c(C#N)cc1OC(F)F ZINC000575670072 382783670 /nfs/dbraw/zinc/78/36/70/382783670.db2.gz BXPRCSWREAQKNQ-UHFFFAOYSA-N 0 0 299.273 2.664 10 30 CFEERN CCOc1cc(C#N)c(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575670485 382783718 /nfs/dbraw/zinc/78/37/18/382783718.db2.gz IXCPIORMHKDGRI-UHFFFAOYSA-N 0 0 276.170 2.764 10 30 CFEERN Cc1c(CC#N)cc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575673587 382784222 /nfs/dbraw/zinc/78/42/22/382784222.db2.gz LAZZGIDUXZAZDN-UHFFFAOYSA-N 0 0 260.171 2.868 10 30 CFEERN N#Cc1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000575678742 382785267 /nfs/dbraw/zinc/78/52/67/382785267.db2.gz YUAMHRSGZGWFNX-UHFFFAOYSA-N 0 0 261.462 2.882 10 30 CFEERN N#Cc1cc(OC(F)F)c(Br)cc1O ZINC000575681964 382786348 /nfs/dbraw/zinc/78/63/48/382786348.db2.gz IGBRTGYWDGTIAX-UHFFFAOYSA-N 0 0 264.025 2.628 10 30 CFEERN CCc1cc(N)c(I)cc1CC#N ZINC000575716989 382795276 /nfs/dbraw/zinc/79/52/76/382795276.db2.gz ABMMQEAQQIYABI-UHFFFAOYSA-N 0 0 286.116 2.502 10 30 CFEERN N#CCc1cc(I)c(F)cc1F ZINC000575696540 382789808 /nfs/dbraw/zinc/78/98/08/382789808.db2.gz XRQAVMOUBCRKQW-UHFFFAOYSA-N 0 0 279.027 2.635 10 30 CFEERN Cc1cc(I)c(CC#N)cc1F ZINC000575705810 382792282 /nfs/dbraw/zinc/79/22/82/382792282.db2.gz QDMYIWLCFSGXHV-UHFFFAOYSA-N 0 0 275.064 2.805 10 30 CFEERN N#CCc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194888311 382757045 /nfs/dbraw/zinc/75/70/45/382757045.db2.gz JOSNAJWUZFOITB-OAHLLOKOSA-N 0 0 278.311 2.616 10 30 CFEERN COC(=O)c1cc(C#N)c(Cl)c(OC(F)F)c1 ZINC000575342972 382759373 /nfs/dbraw/zinc/75/93/73/382759373.db2.gz DATROKBFOYVLED-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN NC(=O)c1cc(C(F)(F)F)c(C(F)(F)F)cc1F ZINC000575339530 382759516 /nfs/dbraw/zinc/75/95/16/382759516.db2.gz ARCKYOYSSOHTDO-UHFFFAOYSA-N 0 0 275.123 2.962 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1OC ZINC000575343525 382759666 /nfs/dbraw/zinc/75/96/66/382759666.db2.gz DNZFAUUJWJDAKA-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN COC(=O)c1cc(Cl)cc(OC(F)F)c1C#N ZINC000575343001 382759748 /nfs/dbraw/zinc/75/97/48/382759748.db2.gz LHROCAAEOLLFKA-UHFFFAOYSA-N 0 0 261.611 2.600 10 30 CFEERN CCOC(=O)Cc1cc(C(F)F)c(OC)cc1C#N ZINC000575343610 382759969 /nfs/dbraw/zinc/75/99/69/382759969.db2.gz PZPGIXVFZXPGRR-UHFFFAOYSA-N 0 0 269.247 2.610 10 30 CFEERN CCOC(=O)c1c(OC)cc(C#N)cc1C(F)F ZINC000575343662 382759977 /nfs/dbraw/zinc/75/99/77/382759977.db2.gz XOXNACBWGRUWCV-UHFFFAOYSA-N 0 0 255.220 2.681 10 30 CFEERN CCOC(=O)Cc1cc(C#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575343976 382760046 /nfs/dbraw/zinc/76/00/46/382760046.db2.gz LDHZCFAKVYECRO-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1C ZINC000575343692 382760112 /nfs/dbraw/zinc/76/01/12/382760112.db2.gz BKRDUEHGLGAUBG-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)Cc1ccc(C)c(C#N)c1C(F)F ZINC000575344060 382760117 /nfs/dbraw/zinc/76/01/17/382760117.db2.gz NSDPBQRSAXVTGT-UHFFFAOYSA-N 0 0 253.248 2.910 10 30 CFEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1C(F)F ZINC000575343682 382760133 /nfs/dbraw/zinc/76/01/33/382760133.db2.gz AOZOWGKSPRDQBH-UHFFFAOYSA-N 0 0 270.191 2.581 10 30 CFEERN CCOC(=O)c1c(F)ccc(C(F)(F)F)c1C#N ZINC000575344865 382760366 /nfs/dbraw/zinc/76/03/66/382760366.db2.gz CQDYAYULRUBWPA-UHFFFAOYSA-N 0 0 261.174 2.893 10 30 CFEERN CCOC(=O)c1cc(C#N)ccc1OC(F)(F)F ZINC000575345002 382760385 /nfs/dbraw/zinc/76/03/85/382760385.db2.gz NRUOLLCLKXNRRR-UHFFFAOYSA-N 0 0 259.183 2.634 10 30 CFEERN CCOC(=O)Cc1ccc(OC(F)(F)F)cc1C#N ZINC000575344934 382760397 /nfs/dbraw/zinc/76/03/97/382760397.db2.gz KEBUQFVNOZXDBX-UHFFFAOYSA-N 0 0 273.210 2.562 10 30 CFEERN COC(=O)CCCCC(=O)c1ccc(F)c(C#N)c1 ZINC000575361936 382761339 /nfs/dbraw/zinc/76/13/39/382761339.db2.gz RVBXEPFVBFWKSO-UHFFFAOYSA-N 0 0 263.268 2.613 10 30 CFEERN CCCCCCCCCCC(=O)N[C@@H](O)C(=O)OCC ZINC000224190498 382809265 /nfs/dbraw/zinc/80/92/65/382809265.db2.gz WKGGNVKZPAKKHM-AWEZNQCLSA-N 0 0 287.400 2.515 10 30 CFEERN C#CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC1 ZINC000226278511 382825844 /nfs/dbraw/zinc/82/58/44/382825844.db2.gz UNVDNDMRELLUIJ-UHFFFAOYSA-N 0 0 294.354 2.868 10 30 CFEERN Cc1cc(NC[C@@H]2CCC[C@H](O)C2)c(C#N)c(C)n1 ZINC000227593927 382838168 /nfs/dbraw/zinc/83/81/68/382838168.db2.gz WWUKTEQUMSXYLK-OLZOCXBDSA-N 0 0 259.353 2.533 10 30 CFEERN C#CCC(=O)c1cccc(C)c1I ZINC000235776509 382887741 /nfs/dbraw/zinc/88/77/41/382887741.db2.gz MBAKWYHULJWNFA-UHFFFAOYSA-N 0 0 284.096 2.806 10 30 CFEERN Cc1cccc(C(=O)C(C#N)C#N)c1Br ZINC000235775992 382888116 /nfs/dbraw/zinc/88/81/16/382888116.db2.gz AIBMMNUFKBNSAS-UHFFFAOYSA-N 0 0 263.094 2.604 10 30 CFEERN C=CCC(=O)Nc1ccc(Br)nc1C ZINC000235793178 382888668 /nfs/dbraw/zinc/88/86/68/382888668.db2.gz OJWULSGMNFHJFE-UHFFFAOYSA-N 0 0 255.115 2.667 10 30 CFEERN C[C@@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000245565122 383009915 /nfs/dbraw/zinc/00/99/15/383009915.db2.gz RFFNVQVXDZRZOF-RDJZCZTQSA-N 0 0 299.418 2.648 10 30 CFEERN C=C(C)C[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000248644197 383277138 /nfs/dbraw/zinc/27/71/38/383277138.db2.gz ZIXKZBLKPNRTJF-XQLPTFJDSA-N 0 0 293.407 2.921 10 30 CFEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1F ZINC000248837071 383295775 /nfs/dbraw/zinc/29/57/75/383295775.db2.gz KFWJNNUCYPTJCJ-HZPDHXFCSA-N 0 0 274.339 2.841 10 30 CFEERN CSc1nnc(C(F)F)n1N=Cc1ccc(O)cc1 ZINC000254701295 383470285 /nfs/dbraw/zinc/47/02/85/383470285.db2.gz SXDIWAACVKQFAY-UHFFFAOYSA-N 0 0 284.291 2.525 10 30 CFEERN COc1ccc(C=Nc2ccc(C(N)=O)cc2)cc1 ZINC000254827010 383471054 /nfs/dbraw/zinc/47/10/54/383471054.db2.gz SCSMZPVPNHCXGU-UHFFFAOYSA-N 0 0 254.289 2.545 10 30 CFEERN Cn1cc([C@H]2CCCN2c2ccc(F)cc2C#N)cn1 ZINC000266357173 384156881 /nfs/dbraw/zinc/15/68/81/384156881.db2.gz KDOIUVRUYPNONT-CQSZACIVSA-N 0 0 270.311 2.772 10 30 CFEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000191708697 130280885 /nfs/dbraw/zinc/28/08/85/130280885.db2.gz NNXQXXQJBDPDQY-CABZTGNLSA-N 0 0 278.739 2.965 10 30 CFEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191842616 130315823 /nfs/dbraw/zinc/31/58/23/130315823.db2.gz BUCUZHLEMZDWPC-SKDRFNHKSA-N 0 0 278.739 2.965 10 30 CFEERN CCOc1cc(C#N)ccc1OC(=O)[C@H]1CCCO[C@H]1C ZINC000192195107 130391884 /nfs/dbraw/zinc/39/18/84/130391884.db2.gz YAZAJUVDHBBQNI-AAEUAGOBSA-N 0 0 289.331 2.677 10 30 CFEERN CCc1csc([C@H]2CCCN(c3nccnc3C#N)C2)n1 ZINC000263771799 131327106 /nfs/dbraw/zinc/32/71/06/131327106.db2.gz HHWREXSWVKOIHO-NSHDSACASA-N 0 0 299.403 2.751 10 30 CFEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179292619 393461693 /nfs/dbraw/zinc/46/16/93/393461693.db2.gz RUXAOWSIHHPJRR-HNNXBMFYSA-N 0 0 297.333 2.843 10 30 CFEERN C=CCO[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000302136400 393490790 /nfs/dbraw/zinc/49/07/90/393490790.db2.gz HZMIYCLOEKVMDV-SNVBAGLBSA-N 0 0 272.270 2.882 10 30 CFEERN COc1cc(Br)cc(OC)c1CC#N ZINC000307694477 393513933 /nfs/dbraw/zinc/51/39/33/393513933.db2.gz WWLHJXRKRZOFIR-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN Cc1cc(N[C@H]2COc3ccccc32)cc(C#N)n1 ZINC000308277446 393516279 /nfs/dbraw/zinc/51/62/79/393516279.db2.gz KGRFVENKYBEPIL-AWEZNQCLSA-N 0 0 251.289 2.807 10 30 CFEERN C=CCOc1ccc(OCc2nnc(C3CC3)n2C)cc1 ZINC000183261068 393519057 /nfs/dbraw/zinc/51/90/57/393519057.db2.gz CARMKNODHZTGGH-UHFFFAOYSA-N 0 0 285.347 2.836 10 30 CFEERN Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000334191717 393578334 /nfs/dbraw/zinc/57/83/34/393578334.db2.gz HVJMLBXCQFLIIU-DGCLKSJQSA-N 0 0 267.332 2.898 10 30 CFEERN N#CCCOCC(F)(F)C(F)(F)C(F)(F)F ZINC000072265865 393650476 /nfs/dbraw/zinc/65/04/76/393650476.db2.gz SZHXPEFRVRVYAF-UHFFFAOYSA-N 0 0 253.117 2.750 10 30 CFEERN N#Cc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)ccn1 ZINC000193726706 393663527 /nfs/dbraw/zinc/66/35/27/393663527.db2.gz PUDQINHASMLRSP-INIZCTEOSA-N 0 0 295.317 2.900 10 30 CFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000111399674 393885622 /nfs/dbraw/zinc/88/56/22/393885622.db2.gz VAPXGBFWRJGWHE-OCCSQVGLSA-N 0 0 253.305 2.590 10 30 CFEERN Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(C#N)c(C)n1 ZINC000251087451 393930789 /nfs/dbraw/zinc/93/07/89/393930789.db2.gz YQWHEEOQXKDPCB-YOEHRIQHSA-N 0 0 285.391 2.702 10 30 CFEERN C[C@H]1CC(CCN2CCO[C@H](C#N)C2)C[C@H](C)C1 ZINC000151137798 394261465 /nfs/dbraw/zinc/26/14/65/394261465.db2.gz ASKVDBGXKBGGOC-UMVBOHGHSA-N 0 0 250.386 2.673 10 30 CFEERN C=CCCOCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000155451367 394317041 /nfs/dbraw/zinc/31/70/41/394317041.db2.gz UYFIBJMNYLWMSW-HUUCEWRRSA-N 0 0 265.397 2.912 10 30 CFEERN C=C[C@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000306027991 413077980 /nfs/dbraw/zinc/07/79/80/413077980.db2.gz PEEJWJXVXZEEEP-OAHLLOKOSA-N 0 0 259.349 2.580 10 30 CFEERN C=CC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000405449455 543018481 /nfs/dbraw/zinc/01/84/81/543018481.db2.gz NJAPEEAKPMNBDN-AWEZNQCLSA-N 0 0 253.342 2.779 10 30 CFEERN C=CCN(CC(=O)C1CCC1)C(=O)OC(C)(C)C ZINC000405536587 543020501 /nfs/dbraw/zinc/02/05/01/543020501.db2.gz BKPSOKFTHRKDDT-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C=CC(=O)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000405626017 543021913 /nfs/dbraw/zinc/02/19/13/543021913.db2.gz QSQUPYIKQOEGPF-MNOVXSKESA-N 0 0 253.342 2.777 10 30 CFEERN C=CC(=O)[C@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000405759350 543023374 /nfs/dbraw/zinc/02/33/74/543023374.db2.gz ZVQPJAVLIFBQHI-AWEZNQCLSA-N 0 0 253.342 2.921 10 30 CFEERN C=C(C)CCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405734915 543023587 /nfs/dbraw/zinc/02/35/87/543023587.db2.gz VXMOIDRHPIYXQT-UHFFFAOYSA-N 0 0 253.342 2.969 10 30 CFEERN C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)CC1CC1 ZINC000405933464 543026176 /nfs/dbraw/zinc/02/61/76/543026176.db2.gz NWCCHUJDISMBNL-NSHDSACASA-N 0 0 253.342 2.825 10 30 CFEERN C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCC1 ZINC000405939562 543026931 /nfs/dbraw/zinc/02/69/31/543026931.db2.gz RVXIQUVWPMOYQQ-NSHDSACASA-N 0 0 253.342 2.825 10 30 CFEERN O=C(Nc1nc2cccnc2[nH]1)[C@H]1CCC(F)(F)C1 ZINC000330110265 296535698 /nfs/dbraw/zinc/53/56/98/296535698.db2.gz QJZPKMRZUZOYNB-ZETCQYMHSA-N 0 0 266.251 2.981 10 30 CFEERN N#Cc1cccn2c(-c3nc(Cl)ncc3Cl)cnc12 ZINC000584656472 397586268 /nfs/dbraw/zinc/58/62/68/397586268.db2.gz RMLMAJZLBNLGRK-UHFFFAOYSA-N 0 0 290.113 2.970 10 30 CFEERN Cc1ccc([C@H]2CCCCN2c2cnc(C#N)cn2)o1 ZINC000125472569 292265030 /nfs/dbraw/zinc/26/50/30/292265030.db2.gz JGVFVZHEYGVYBM-CYBMUJFWSA-N 0 0 268.320 2.981 10 30 CFEERN C[C@H](COCc1ccccc1)NCc1nc(C#N)cs1 ZINC000352811139 163238265 /nfs/dbraw/zinc/23/82/65/163238265.db2.gz QWGXQBUGZSCAMV-GFCCVEGCSA-N 0 0 287.388 2.710 10 30 CFEERN C[C@H]1CCc2c(sc3[nH]c(SCC#N)nc(=O)c23)C1 ZINC000001973096 169765514 /nfs/dbraw/zinc/76/55/14/169765514.db2.gz INNNBZNIRQPNHG-ZETCQYMHSA-N 0 0 291.401 2.725 10 30 CFEERN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccccn1 ZINC000003917295 169925113 /nfs/dbraw/zinc/92/51/13/169925113.db2.gz WDIILZOTCNLNBN-VCHYOVAHSA-N 0 0 251.293 2.794 10 30 CFEERN CCOC(=O)C(=NNc1ccccc1)NC1CCCCC1 ZINC000004416027 169966641 /nfs/dbraw/zinc/96/66/41/169966641.db2.gz AMESZOFHEBKVRV-UHFFFAOYSA-N 0 0 289.379 2.897 10 30 CFEERN C[C@H]1[C@H](NC(=O)COc2ccc(C#N)cc2)CCC[C@@H]1C ZINC000005108905 170066707 /nfs/dbraw/zinc/06/67/07/170066707.db2.gz RWCPVSDEWBEKRK-WOSRLPQWSA-N 0 0 286.375 2.878 10 30 CFEERN CCOC(=O)N1CCC(C#N)(Nc2ccccc2)CC1 ZINC000006242261 170184814 /nfs/dbraw/zinc/18/48/14/170184814.db2.gz FLFATCQHLCJCDS-UHFFFAOYSA-N 0 0 273.336 2.613 10 30 CFEERN COc1cccc(NC(=S)N/N=C/c2ccco2)c1 ZINC000006406612 170199191 /nfs/dbraw/zinc/19/91/91/170199191.db2.gz CCVWKUUGLUPLMM-NTEUORMPSA-N 0 0 275.333 2.609 10 30 CFEERN COc1cccc(CN=Nc2ccc(Cl)nn2)c1 ZINC000006566402 170214276 /nfs/dbraw/zinc/21/42/76/170214276.db2.gz VNGRYLXKJIDQCK-RIYZIHGNSA-N 0 0 262.700 2.585 10 30 CFEERN N#Cc1ccc(NC(=S)NC(=O)C2CCCC2)cc1 ZINC000006633319 170220234 /nfs/dbraw/zinc/22/02/34/170220234.db2.gz QJBXDIUEKGTGDO-UHFFFAOYSA-N 0 0 273.361 2.561 10 30 CFEERN Cc1nc(C#N)c(N=NC=C2COc3ccccc3C2)o1 ZINC000006861385 170250544 /nfs/dbraw/zinc/25/05/44/170250544.db2.gz MLTUASVGPGSFIO-CAOOACKPSA-N 0 0 280.287 2.728 10 30 CFEERN CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)N(CC)CC ZINC000006937377 170256602 /nfs/dbraw/zinc/25/66/02/170256602.db2.gz AVUKHQAYZHFCRC-GHRIWEEISA-N 0 0 297.786 2.970 10 30 CFEERN Cc1ccc(CN(C)CC(=O)Nc2ccccc2C#N)o1 ZINC000007975510 170310952 /nfs/dbraw/zinc/31/09/52/170310952.db2.gz WZFGWZHLILJVON-UHFFFAOYSA-N 0 0 283.331 2.530 10 30 CFEERN COc1ccc(O[C@@H](C)C#N)c(Br)c1 ZINC000011944554 170459880 /nfs/dbraw/zinc/45/98/80/170459880.db2.gz ZGSUSPPBBGZGAY-ZETCQYMHSA-N 0 0 256.099 2.749 10 30 CFEERN N/C(CCOc1ccc(Cl)cc1Br)=N\O ZINC000019477484 170807975 /nfs/dbraw/zinc/80/79/75/170807975.db2.gz XWUGXJYVVDKNJH-UHFFFAOYSA-N 0 0 293.548 2.618 10 30 CFEERN CCN(Cc1ccc(/C(N)=N/O)cc1F)c1ccccc1 ZINC000019808325 170877477 /nfs/dbraw/zinc/87/74/77/170877477.db2.gz UAJXMJGHGNTEPF-UHFFFAOYSA-N 0 0 287.338 2.947 10 30 CFEERN N#Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 ZINC000019966899 170948605 /nfs/dbraw/zinc/94/86/05/170948605.db2.gz YBFXRUDANDXWAT-UHFFFAOYSA-N 0 0 296.713 2.941 10 30 CFEERN COc1cc(CO)ccc1OCc1ccc(C#N)cc1 ZINC000020032149 170974180 /nfs/dbraw/zinc/97/41/80/170974180.db2.gz CYSUUWBVQRPNLR-UHFFFAOYSA-N 0 0 269.300 2.638 10 30 CFEERN COc1ccccc1NC(=O)CNc1ccccc1C#N ZINC000020051341 170979161 /nfs/dbraw/zinc/97/91/61/170979161.db2.gz IUWPWTXAWMOSBH-UHFFFAOYSA-N 0 0 281.315 2.617 10 30 CFEERN COc1cc([C@H](C#N)NCC(C)C)cc(OC)c1OC ZINC000020176093 171042395 /nfs/dbraw/zinc/04/23/95/171042395.db2.gz ZUJCTQFVJUJIMT-LBPRGKRZSA-N 0 0 278.352 2.523 10 30 CFEERN Cc1c(N)cccc1C(=O)Nc1ccc(C#N)cc1 ZINC000020194672 171059843 /nfs/dbraw/zinc/05/98/43/171059843.db2.gz IISSOKBHZVNEMV-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN COc1cc(/C(N)=N/O)ccc1OC1CCCCC1 ZINC000020210426 171074143 /nfs/dbraw/zinc/07/41/43/171074143.db2.gz USQPNRJQXJFPDJ-UHFFFAOYSA-N 0 0 264.325 2.501 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020315245 171145865 /nfs/dbraw/zinc/14/58/65/171145865.db2.gz UWVRYIYHFBUMEK-MRVPVSSYSA-N 0 0 256.708 2.582 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020360416 171158998 /nfs/dbraw/zinc/15/89/98/171158998.db2.gz MVRHJSKOXBRXCL-MRVPVSSYSA-N 0 0 256.708 2.582 10 30 CFEERN CCCCCCOc1ccc(C/C(N)=N/O)cc1 ZINC000020519790 171233512 /nfs/dbraw/zinc/23/35/12/171233512.db2.gz KLNCSHRYIVRCIK-UHFFFAOYSA-N 0 0 250.342 2.935 10 30 CFEERN COC(=O)c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000020754431 171271548 /nfs/dbraw/zinc/27/15/48/171271548.db2.gz SXJLQIJCIVFBJW-MHWRWJLKSA-N 0 0 299.286 2.827 10 30 CFEERN COCc1nn(-c2cccc(OC)c2)c(Cl)c1C#N ZINC000021949884 171339269 /nfs/dbraw/zinc/33/92/69/171339269.db2.gz CAWJRWOCPDNHLB-UHFFFAOYSA-N 0 0 277.711 2.552 10 30 CFEERN N#Cc1ccc(C(=O)c2ccc(Cl)cc2)c(CO)c1 ZINC000022060810 171351522 /nfs/dbraw/zinc/35/15/22/171351522.db2.gz COCJUZNVDCSTPQ-UHFFFAOYSA-N 0 0 271.703 2.935 10 30 in-vitro CFEERN Cc1cccc(C(=O)Nc2ccccc2C#N)c1N ZINC000022167078 171366264 /nfs/dbraw/zinc/36/62/64/171366264.db2.gz FAKUDKGUFMNPQY-UHFFFAOYSA-N 0 0 251.289 2.701 10 30 CFEERN N#Cc1ccc(C(=O)Nc2ccc(F)cc2N)cc1 ZINC000022214116 171375115 /nfs/dbraw/zinc/37/51/15/171375115.db2.gz QAYDLLIYXCMTDM-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2cccc(N)c2)cc1 ZINC000022221929 171378942 /nfs/dbraw/zinc/37/89/42/171378942.db2.gz ILAQHQMTTDFSCD-UHFFFAOYSA-N 0 0 252.277 2.784 10 30 CFEERN CCOC(=O)c1sc(N=NCc2cccs2)nc1C ZINC000033377366 171787296 /nfs/dbraw/zinc/78/72/96/171787296.db2.gz HISLEQGUKKIKAS-QPEQYQDCSA-N 0 0 295.389 2.558 10 30 CFEERN C[C@H](C#N)c1cnc2ccc(Br)cn21 ZINC000033507390 171808707 /nfs/dbraw/zinc/80/87/07/171808707.db2.gz YBIOAEWPSRHNNX-SSDOTTSWSA-N 0 0 250.099 2.724 10 30 CFEERN C[C@@H]1C[C@@H](Oc2cc(/C(N)=N/O)ccn2)CC(C)(C)C1 ZINC000034958297 171903885 /nfs/dbraw/zinc/90/38/85/171903885.db2.gz IPEFHVQHULDXKN-ZYHUDNBSSA-N 0 0 277.368 2.770 10 30 CFEERN COC(=O)c1occc1CNc1ccc(C#N)cc1 ZINC000035223978 172067994 /nfs/dbraw/zinc/06/79/94/172067994.db2.gz DLTYUGZIOWUNJH-UHFFFAOYSA-N 0 0 256.261 2.550 10 30 CFEERN N#Cc1ccc(Oc2nc3sccn3c2C=O)cc1 ZINC000035428567 172196892 /nfs/dbraw/zinc/19/68/92/172196892.db2.gz QUFVNYOFXRASHL-UHFFFAOYSA-N 0 0 269.285 2.872 10 30 CFEERN Cc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1 ZINC000035587289 172287329 /nfs/dbraw/zinc/28/73/29/172287329.db2.gz NGCAJABCCDOEJN-PDGQHHTCSA-N 0 0 283.400 2.993 10 30 CFEERN N/C(=N\O)c1cccnc1Sc1cc(F)ccc1F ZINC000035676297 172346433 /nfs/dbraw/zinc/34/64/33/172346433.db2.gz IQNNKECIZSJYMM-UHFFFAOYSA-N 0 0 281.287 2.606 10 30 CFEERN N#CC1(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000035676694 172347135 /nfs/dbraw/zinc/34/71/35/172347135.db2.gz RZIMPIPYVBQFRR-UHFFFAOYSA-N 0 0 276.144 2.823 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)CCc1ccco1 ZINC000036157163 172478351 /nfs/dbraw/zinc/47/83/51/172478351.db2.gz BCGMCMOKNPKROF-UHFFFAOYSA-N 0 0 258.252 2.862 10 30 CFEERN N#Cc1c(F)cccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000036156939 172478421 /nfs/dbraw/zinc/47/84/21/172478421.db2.gz ICNZMKMZCQQROS-HNNXBMFYSA-N 0 0 282.274 2.640 10 30 CFEERN C#CCNC(=O)[C@H](C)Nc1ccc(CCCC)cc1 ZINC000037250957 173063171 /nfs/dbraw/zinc/06/31/71/173063171.db2.gz NCMURHPYBIUTBJ-ZDUSSCGKSA-N 0 0 258.365 2.579 10 30 CFEERN COc1ccc([C@@H](C#N)NC2CC2)cc1OC(F)F ZINC000037330007 173131192 /nfs/dbraw/zinc/13/11/92/173131192.db2.gz UWTZEKZQMXWFFN-SNVBAGLBSA-N 0 0 268.263 2.613 10 30 CFEERN Cc1cccc(C(=O)Nc2ccc(C#CCO)cc2F)c1 ZINC000037548867 173266178 /nfs/dbraw/zinc/26/61/78/173266178.db2.gz OUXBRMMDWZBOAR-UHFFFAOYSA-N 0 0 283.302 2.730 10 30 CFEERN Cc1ccc(C#CCO)cc1NC(=O)c1ccsc1 ZINC000037549296 173266803 /nfs/dbraw/zinc/26/68/03/173266803.db2.gz HVJBFQDERMZVKV-UHFFFAOYSA-N 0 0 271.341 2.653 10 30 CFEERN COc1cc([C@@H](C#N)NCc2cccs2)ccc1O ZINC000037939676 173878830 /nfs/dbraw/zinc/87/88/30/173878830.db2.gz ZZURJLIIPZTKBG-GFCCVEGCSA-N 0 0 274.345 2.817 10 30 CFEERN CC[C@H](C)N[C@@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000038064179 174075174 /nfs/dbraw/zinc/07/51/74/174075174.db2.gz PBTAAWYTIVXNBP-GOEBONIOSA-N 0 0 257.381 2.543 10 30 CFEERN Cc1ccc([N+](=O)[O-])cc1Oc1cc(C#N)ccn1 ZINC000038081669 174090564 /nfs/dbraw/zinc/09/05/64/174090564.db2.gz AHLSDDHEGQCFIV-UHFFFAOYSA-N 0 0 255.233 2.962 10 30 CFEERN N#Cc1ccnc(Oc2ccc([N+](=O)[O-])cc2F)c1 ZINC000038082005 174091230 /nfs/dbraw/zinc/09/12/30/174091230.db2.gz CTPBLKYJELNMPZ-UHFFFAOYSA-N 0 0 259.196 2.793 10 30 CFEERN N#CCCN(C(=O)c1ccc(Br)cc1)C1CC1 ZINC000038099976 174114745 /nfs/dbraw/zinc/11/47/45/174114745.db2.gz IPCHOMDBSCYBIQ-UHFFFAOYSA-N 0 0 293.164 2.967 10 30 CFEERN N#Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)nn1 ZINC000038103491 174119760 /nfs/dbraw/zinc/11/97/60/174119760.db2.gz MGDPFAGMILGMCI-UHFFFAOYSA-N 0 0 293.113 2.907 10 30 CFEERN C=CCN(C(C)C)S(=O)(=O)c1sc(Cl)nc1C ZINC000038110282 174122696 /nfs/dbraw/zinc/12/26/96/174122696.db2.gz CTHUAMUWCVAWPF-UHFFFAOYSA-N 0 0 294.829 2.690 10 30 CFEERN CC(N=Nc1nncc2ccccc21)c1ccccn1 ZINC000038710381 174153032 /nfs/dbraw/zinc/15/30/32/174153032.db2.gz WTHDKCXXDSISJP-WQRHYEAKSA-N 0 0 263.304 2.861 10 30 CFEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2ccccc2)O1 ZINC000039127607 174163555 /nfs/dbraw/zinc/16/35/55/174163555.db2.gz JQODTWFMOPCIII-INIZCTEOSA-N 0 0 280.327 2.619 10 30 CFEERN Cc1ccccc1C(=O)N[C@@H](C#N)c1ccccc1 ZINC000040215195 174204539 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/nfs/dbraw/zinc/85/33/27/571853327.db2.gz FTXZFRIHQNXZNH-ULQDDVLXSA-N 0 0 258.361 2.834 10 30 endogenous,in-man CFEERN C=CCCCCC[C@@H]1O[C@H]1CC#CC#C[C@H](O)C=C ZINC000003927291 574412102 /nfs/dbraw/zinc/41/21/02/574412102.db2.gz FTXZFRIHQNXZNH-IKGGRYGDSA-N 0 0 258.361 2.834 10 30 endogenous,in-man CFEERN COc1cc(C#N)cc(Cl)c1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000178290895 617723719 /nfs/dbraw/zinc/72/37/19/617723719.db2.gz CEMHTCVYRNTABD-LDYMZIIASA-N 0 0 295.722 2.693 10 30 CFEERN C=CC1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255000930 617724037 /nfs/dbraw/zinc/72/40/37/617724037.db2.gz KESJNLCLVXMDIC-RAXLEYEMSA-N 0 0 277.389 2.885 10 30 CFEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000176091023 617779317 /nfs/dbraw/zinc/77/93/17/617779317.db2.gz IYCORDXSIGBKAN-RBSFLKMASA-N 0 0 282.343 2.689 10 30 CFEERN C[C@@H](OC(=O)c1cc(C#N)cn1C)c1nc2ccccc2[nH]1 ZINC000176120395 617792728 /nfs/dbraw/zinc/79/27/28/617792728.db2.gz ZJGMUXUQKYEFIP-SNVBAGLBSA-N 0 0 294.314 2.691 10 30 CFEERN CCCCCCCS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180070704 618604974 /nfs/dbraw/zinc/60/49/74/618604974.db2.gz JSBKVHZQWGJNKS-UHFFFAOYSA-N 0 0 299.440 2.578 10 30 CFEERN N#Cc1sc(N[C@H]2CCC[C@@H]2C#N)nc1Cl ZINC000309504252 618891566 /nfs/dbraw/zinc/89/15/66/618891566.db2.gz MOJMPQWBJDDYAJ-RQJHMYQMSA-N 0 0 252.730 2.772 10 30 CFEERN C[C@H](C#N)NC(=O)c1cc(Cl)nc2ccccc21 ZINC000226230638 620094034 /nfs/dbraw/zinc/09/40/34/620094034.db2.gz OFVFDNNUVSVUGB-MRVPVSSYSA-N 0 0 259.696 2.530 10 30 CFEERN COc1cccc2c1ncc(C#N)c2NC[C@H]1CCCO1 ZINC000223153777 622980207 /nfs/dbraw/zinc/98/02/07/622980207.db2.gz DCWQWNQVTJCUNH-GFCCVEGCSA-N 0 0 283.331 2.706 10 30 CFEERN C#Cc1cccc(N(CC)Cc2nnc(C(C)C)n2C)c1 ZINC000171395822 623220855 /nfs/dbraw/zinc/22/08/55/623220855.db2.gz BHUBUMZOLPRBDY-UHFFFAOYSA-N 0 0 282.391 2.946 10 30 CFEERN C=C(C)COC(=O)[C@H](CCC)NC(=O)OC(C)(C)C ZINC000171530641 623228448 /nfs/dbraw/zinc/22/84/48/623228448.db2.gz VCOSDWRPEIXDCF-NSHDSACASA-N 0 0 271.357 2.799 10 30 CFEERN N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000061892879 623240448 /nfs/dbraw/zinc/24/04/48/623240448.db2.gz QBCOGWRAEPDADM-BXKDBHETSA-N 0 0 295.180 2.937 10 30 CFEERN COC1CC(Nc2nc3ccccc3cc2C#N)C1 ZINC000230598833 623286013 /nfs/dbraw/zinc/28/60/13/623286013.db2.gz FSDYHGJZCIOSKW-UHFFFAOYSA-N 0 0 253.305 2.696 10 30 CFEERN C#C[C@H](C)NC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000185994441 625813925 /nfs/dbraw/zinc/81/39/25/625813925.db2.gz XAQUWIXOSNWVKK-HUBLWGQQSA-N 0 0 256.349 2.549 10 30 CFEERN C#C[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000186039620 625824383 /nfs/dbraw/zinc/82/43/83/625824383.db2.gz FMMJNWCLRBHOQI-QMTHXVAHSA-N 0 0 260.312 2.524 10 30 CFEERN N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158763639 650236381 /nfs/dbraw/zinc/23/63/81/650236381.db2.gz UXOUVJAIWBFSRB-JOYOIKCWSA-N 0 0 250.729 2.827 10 30 CFEERN C#CCOCCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000159156882 650249424 /nfs/dbraw/zinc/24/94/24/650249424.db2.gz PWXXDMYIWBWWAU-LLVKDONJSA-N 0 0 265.740 2.557 10 30 CFEERN C#CCOc1ccc(F)cc1NCc1cccc(OC)n1 ZINC000191203389 650482751 /nfs/dbraw/zinc/48/27/51/650482751.db2.gz FJVGISVQKQELJB-UHFFFAOYSA-N 0 0 286.306 2.853 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)C#Cc2ccccc2)o1 ZINC000080550545 650688438 /nfs/dbraw/zinc/68/84/38/650688438.db2.gz IZWGJWWOFJEUQT-ZDUSSCGKSA-N 0 0 253.301 2.817 10 30 CFEERN C[C@@H](O)[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000125451854 642635901 /nfs/dbraw/zinc/63/59/01/642635901.db2.gz NFCBORCZYGCPHN-JGVFFNPUSA-N 0 0 258.243 2.758 10 30 CFEERN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246081244 650852484 /nfs/dbraw/zinc/85/24/84/650852484.db2.gz FIKXTFQBFVPVOO-YNEHKIRRSA-N 0 0 279.343 2.796 10 30 CFEERN Cc1ccc([C@H](C)NC(=O)C#Cc2ccc3c(c2)OCO3)o1 ZINC000136102182 646739770 /nfs/dbraw/zinc/73/97/70/646739770.db2.gz IADCIAAEKMLUER-LBPRGKRZSA-N 0 0 297.310 2.546 10 30 CFEERN N#Cc1ccc(N2CCC[C@@H]2c2ccc(N)nn2)cc1Cl ZINC000886086735 646860860 /nfs/dbraw/zinc/86/08/60/646860860.db2.gz ZKMWBBYDJYLXMU-CQSZACIVSA-N 0 0 299.765 2.925 10 30 CFEERN N#C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000594683732 349473937 /nfs/dbraw/zinc/47/39/37/349473937.db2.gz AYJLBTBTRBXXNJ-KGLIPLIRSA-N 0 0 257.337 2.568 10 30 CFEERN C=C(C)OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095627066 185016285 /nfs/dbraw/zinc/01/62/85/185016285.db2.gz LZTDNSBWCLQLAR-UHFFFAOYSA-N 0 0 284.356 2.646 10 30 CFEERN CCOC(=O)C(C#N)=NNc1ccc(Cl)cc1 ZINC000095861560 185029412 /nfs/dbraw/zinc/02/94/12/185029412.db2.gz XLDNAYMPMMJDGA-KDGRRTAISA-N 0 0 251.673 2.879 10 30 CFEERN COc1ccc2c(C/C(=N\N)c3ccccn3)ccnc2c1 ZINC000095935404 185033478 /nfs/dbraw/zinc/03/34/78/185033478.db2.gz VZORJPFHKPDXDD-HEHNFIMWSA-N 0 0 292.342 2.544 10 30 CFEERN COc1cc(Br)c(CCC=O)cc1OC ZINC000095938089 185035278 /nfs/dbraw/zinc/03/52/78/185035278.db2.gz VSYMKNOAVCRQMH-UHFFFAOYSA-N 0 0 273.126 2.598 10 30 CFEERN N#CCc1cnc2c(Cl)cc(Br)cn12 ZINC000082694245 178188876 /nfs/dbraw/zinc/18/88/76/178188876.db2.gz HRKNGYAWHMAOAO-UHFFFAOYSA-N 0 0 270.517 2.816 10 30 CFEERN CCn1cc(/C=C/C(=O)c2cccc(O)c2)c(C)n1 ZINC000096854152 185117095 /nfs/dbraw/zinc/11/70/95/185117095.db2.gz GSWDCRGHENAWAR-BQYQJAHWSA-N 0 0 256.305 2.813 10 30 CFEERN Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000335753989 282377916 /nfs/dbraw/zinc/37/79/16/282377916.db2.gz FNAZXJRCXBAODW-GHMZBOCLSA-N 0 0 261.325 2.529 10 30 CFEERN C[C@@]1(Cc2ccc(Br)cc2)O[C@@H]1C#N ZINC000306293613 539471783 /nfs/dbraw/zinc/47/17/83/539471783.db2.gz VALQLNLOIPYJBD-MNOVXSKESA-N 0 0 252.111 2.673 10 30 CFEERN C[C@]1(c2ccc(Br)cc2F)O[C@@H]1C#N ZINC000307073521 539476639 /nfs/dbraw/zinc/47/66/39/539476639.db2.gz ABSLXOHIULFZHP-NXEZZACHSA-N 0 0 256.074 2.726 10 30 CFEERN NC(=S)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000006133370 346213664 /nfs/dbraw/zinc/21/36/64/346213664.db2.gz DHPYJAPCDSJVSO-UHFFFAOYSA-N 0 0 271.345 2.646 10 30 CFEERN CCOC(=O)/C(=C\c1ccc(F)cc1)C(=O)C(C)C ZINC000022058954 346247013 /nfs/dbraw/zinc/24/70/13/346247013.db2.gz LOQOYHQUQSXJCE-LCYFTJDESA-N 0 0 264.296 2.997 10 30 CFEERN CC[C@](C#N)(CCN1CCOCC1)c1ccccc1 ZINC000031622819 346295685 /nfs/dbraw/zinc/29/56/85/346295685.db2.gz RQNNBMVBEQZRGU-MRXNPFEDSA-N 0 0 258.365 2.580 10 30 CFEERN C=CCN(C)c1nc(C)nc(Nc2ccccc2)n1 ZINC000034398429 346316467 /nfs/dbraw/zinc/31/64/67/346316467.db2.gz FIVJCDPBXSZNPS-UHFFFAOYSA-N 0 0 255.325 2.546 10 30 CFEERN O=[N+]([O-])c1ccc(C#C/C=C/Br)cc1 ZINC000035874912 346321020 /nfs/dbraw/zinc/32/10/20/346321020.db2.gz PGKGXCVOWJQHCO-KRXBUXKQSA-N 0 0 252.067 2.855 10 30 CFEERN C=C1CCN(C=O)[C@@H](Cc2ccccc2OC)[C@H]1C ZINC000036406529 346322822 /nfs/dbraw/zinc/32/28/22/346322822.db2.gz IBWVEGFZPXRIDP-ZFWWWQNUSA-N 0 0 259.349 2.661 10 30 CFEERN N#Cc1cccc([C@@]23C[C@@H]2CC2(CC3)OCCO2)c1 ZINC000036374105 346322881 /nfs/dbraw/zinc/32/28/81/346322881.db2.gz VFXNIMUXNIMRHT-HUUCEWRRSA-N 0 0 255.317 2.743 10 30 CFEERN C=C1CCN(C=O)[C@@H](Cc2ccccc2OC)[C@@H]1C ZINC000036406530 346323111 /nfs/dbraw/zinc/32/31/11/346323111.db2.gz IBWVEGFZPXRIDP-HIFRSBDPSA-N 0 0 259.349 2.661 10 30 CFEERN C[C@@H](C#N)C(=O)c1cc(Br)ccc1F ZINC000036931608 346324934 /nfs/dbraw/zinc/32/49/34/346324934.db2.gz QKTXDMUUUAOSOA-LURJTMIESA-N 0 0 256.074 2.931 10 30 CFEERN N#Cc1ccc2[nH]nc(Br)c2c1Cl ZINC000043220609 346380943 /nfs/dbraw/zinc/38/09/43/346380943.db2.gz WDOYGKADJATEOH-UHFFFAOYSA-N 0 0 256.490 2.850 10 30 CFEERN O=C[C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000054219141 346562826 /nfs/dbraw/zinc/56/28/26/346562826.db2.gz BCRHWTBVBSMFJD-VIFPVBQESA-N 0 0 288.210 2.922 10 30 CFEERN O=CC1CCN(Cc2sccc2Br)CC1 ZINC000054239020 346564132 /nfs/dbraw/zinc/56/41/32/346564132.db2.gz NIAPMQBXKBWGCT-UHFFFAOYSA-N 0 0 288.210 2.922 10 30 CFEERN CC(C)(C#N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000056405655 346607974 /nfs/dbraw/zinc/60/79/74/346607974.db2.gz PBBWUIGKYDAZSU-RKDXNWHRSA-N 0 0 262.275 2.773 10 30 CFEERN CCCCCCCSC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000059568496 346657285 /nfs/dbraw/zinc/65/72/85/346657285.db2.gz JKLFRYQIIYRBKY-LLVKDONJSA-N 0 0 291.438 2.710 10 30 CFEERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1noc(C)n1 ZINC000080680218 347374952 /nfs/dbraw/zinc/37/49/52/347374952.db2.gz RKSNETONTXLDQF-NSHDSACASA-N 0 0 287.279 2.721 10 30 CFEERN CCOC(=O)c1oc(-c2ccc(C#N)cc2)nc1C ZINC000088832074 347510856 /nfs/dbraw/zinc/51/08/56/347510856.db2.gz NXOJDHWEVZYPQV-UHFFFAOYSA-N 0 0 256.261 2.698 10 30 CFEERN C#CCn1c2cc([N+](=O)[O-])ccc2nc1C(F)(F)F ZINC000103196086 185815656 /nfs/dbraw/zinc/81/56/56/185815656.db2.gz KZWVTHLDHWYVIY-UHFFFAOYSA-N 0 0 269.182 2.597 10 30 CFEERN CC1=C2CCN(C(=O)OC(C)(C)C)C[C@H]2CCC1=O ZINC000118069977 347795075 /nfs/dbraw/zinc/79/50/75/347795075.db2.gz GRVBKAOLVAATPH-LLVKDONJSA-N 0 0 265.353 2.923 10 30 CFEERN C#Cc1cccc(C(=O)OCc2ccccc2)c1N ZINC000116782784 347788214 /nfs/dbraw/zinc/78/82/14/347788214.db2.gz AHVFIQPQERHZQK-UHFFFAOYSA-N 0 0 251.285 2.607 10 30 CFEERN CS(=O)(=O)OCCCc1cccc(C(F)(F)F)c1 ZINC000116572548 347788419 /nfs/dbraw/zinc/78/84/19/347788419.db2.gz UUMKCYVXQLVAHM-UHFFFAOYSA-N 0 0 282.283 2.614 10 30 CFEERN N#Cc1ccc(F)c(C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000116593163 347788488 /nfs/dbraw/zinc/78/84/88/347788488.db2.gz KAPAOAMUUOOIBM-UHFFFAOYSA-N 0 0 290.244 2.906 10 30 CFEERN N/C(=N\O)c1cc(-c2ccccc2OC(F)(F)F)ccn1 ZINC000117575463 347792670 /nfs/dbraw/zinc/79/26/70/347792670.db2.gz YOLHQWVZGLIEDN-UHFFFAOYSA-N 0 0 297.236 2.742 10 30 CFEERN SCc1cc(-c2ccc(Br)cn2)on1 ZINC000725254008 539583622 /nfs/dbraw/zinc/58/36/22/539583622.db2.gz ZHNRENJEKKBQGO-UHFFFAOYSA-N 0 0 271.139 2.929 10 30 CFEERN COc1cccc(C2(C#N)CCC3(CC2)OCCO3)c1 ZINC000141524264 347931296 /nfs/dbraw/zinc/93/12/96/347931296.db2.gz RQDGRMRKELEEJF-UHFFFAOYSA-N 0 0 273.332 2.774 10 30 CFEERN Nc1ncc(/N=C/c2cccc3ccccc23)c(N)n1 ZINC000142507772 347933881 /nfs/dbraw/zinc/93/38/81/347933881.db2.gz CWWHCCMMBQJHLH-QGMBQPNBSA-N 0 0 263.304 2.545 10 30 CFEERN N#Cc1cccc2c1ccn2S(=O)(=O)c1ccccc1 ZINC000142958243 347935988 /nfs/dbraw/zinc/93/59/88/347935988.db2.gz FDEQMHVWVAAXPT-UHFFFAOYSA-N 0 0 282.324 2.750 10 30 CFEERN N#Cc1ccc([S@@](=O)c2cccc(F)c2C#N)cc1 ZINC000143640092 347938185 /nfs/dbraw/zinc/93/81/85/347938185.db2.gz LBDKUBRAUDASRU-IBGZPJMESA-N 0 0 270.288 2.736 10 30 CFEERN C=C(I)C(=O)c1ccc(OC)cc1 ZINC000143824577 347938881 /nfs/dbraw/zinc/93/88/81/347938881.db2.gz VTJMXUIZHHBGOI-UHFFFAOYSA-N 0 0 288.084 2.827 10 30 CFEERN C#CC(C)(C)Oc1nc(Cl)ncc1Br ZINC000135118265 347904441 /nfs/dbraw/zinc/90/44/41/347904441.db2.gz CIVUZDYYJFUQMZ-UHFFFAOYSA-N 0 0 275.533 2.683 10 30 CFEERN Cc1cc(Br)c(F)cc1NC(=O)CS ZINC000135233464 347905676 /nfs/dbraw/zinc/90/56/76/347905676.db2.gz PMFAGTZPPHULFN-UHFFFAOYSA-N 0 0 278.146 2.765 10 30 CFEERN COc1ccccc1C(C)(C)C[C@](O)(C=O)C(F)(F)F ZINC000138087318 347914931 /nfs/dbraw/zinc/91/49/31/347914931.db2.gz WDQSRSQCLVJPJE-ZDUSSCGKSA-N 0 0 290.281 2.855 10 30 CFEERN C=C(Cl)CNc1ccc2c(c1)CCN2C(C)=O ZINC000138678840 347917455 /nfs/dbraw/zinc/91/74/55/347917455.db2.gz DIZWISIFXATGKV-UHFFFAOYSA-N 0 0 250.729 2.760 10 30 CFEERN C#CC[C@@H](O)/C(Br)=C/c1ccccc1 ZINC000140394871 347925963 /nfs/dbraw/zinc/92/59/63/347925963.db2.gz QYLMGNKXBSZXPK-UCQJPZFISA-N 0 0 251.123 2.807 10 30 CFEERN C[C@@](C#N)(c1ccc(-c2cnc(N)nc2)cc1)C1CC1 ZINC000146471668 347945687 /nfs/dbraw/zinc/94/56/87/347945687.db2.gz HNPZTDGIKKMDNU-MRXNPFEDSA-N 0 0 264.332 2.917 10 30 CFEERN Cn1nc(C(C)(C)C)cc1Nc1cccnc1C#N ZINC000146392105 347945768 /nfs/dbraw/zinc/94/57/68/347945768.db2.gz WZUFSSZMUVJMSG-UHFFFAOYSA-N 0 0 255.325 2.728 10 30 CFEERN CC(C)[C@H](C#N)c1ccc(-c2cnc(N)nc2)cc1 ZINC000146472464 347945985 /nfs/dbraw/zinc/94/59/85/347945985.db2.gz MKKSEUWKCISIGD-AWEZNQCLSA-N 0 0 252.321 2.989 10 30 CFEERN C=C[C@@H](NN)c1cccc(Br)c1Cl ZINC000158444107 348007257 /nfs/dbraw/zinc/00/72/57/348007257.db2.gz MIZUSEAGMAAVJO-MRVPVSSYSA-N 0 0 261.550 2.793 10 30 CFEERN C=C(C)[C@@H](NN)c1cccc(F)c1Br ZINC000158813259 348008779 /nfs/dbraw/zinc/00/87/79/348008779.db2.gz ZNZFYNGPDPTLAK-SNVBAGLBSA-N 0 0 259.122 2.669 10 30 CFEERN COc1cc(Br)ccc1C(=O)CC#N ZINC000169040540 348050017 /nfs/dbraw/zinc/05/00/17/348050017.db2.gz RUUSSWXZZROTGT-UHFFFAOYSA-N 0 0 254.083 2.554 10 30 CFEERN C/C(C(=O)c1ccc(Cl)cc1)=[N+](/[O-])[C@H]1CCC/C1=N\O ZINC000225385960 348176737 /nfs/dbraw/zinc/17/67/37/348176737.db2.gz AKOXHRGCUDNLTM-HKJJFUAXSA-O 0 0 295.746 2.768 10 30 CFEERN CCC(=O)Nc1cc(Br)ccc1C#N ZINC000225445537 348177525 /nfs/dbraw/zinc/17/75/25/348177525.db2.gz POGULYCPANWYFA-UHFFFAOYSA-N 0 0 253.099 2.669 10 30 CFEERN BrC#Cc1ccc(Br)nc1 ZINC000196225860 348147851 /nfs/dbraw/zinc/14/78/51/348147851.db2.gz WUKCDGRLUNRLJZ-UHFFFAOYSA-N 0 0 260.916 2.548 10 30 CFEERN COc1ccc(Br)c(CC#N)c1OC ZINC000217836535 348165838 /nfs/dbraw/zinc/16/58/38/348165838.db2.gz JDNUOZKPEVBTFV-UHFFFAOYSA-N 0 0 256.099 2.532 10 30 CFEERN C#CCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000235174255 348225256 /nfs/dbraw/zinc/22/52/56/348225256.db2.gz STRSRMFNRMZKSP-SECBINFHSA-N 0 0 266.138 2.650 10 30 CFEERN C=C[C@H](C)Nc1nc(Cl)ncc1Br ZINC000229321061 348200968 /nfs/dbraw/zinc/20/09/68/348200968.db2.gz NOGCODPVGPJJEU-YFKPBYRVSA-N 0 0 262.538 2.879 10 30 CFEERN C#C[C@H](CC)Nc1ccc(Br)c(C)n1 ZINC000229999965 348203658 /nfs/dbraw/zinc/20/36/58/348203658.db2.gz ABRMNEKWTPRBRE-SECBINFHSA-N 0 0 253.143 2.976 10 30 CFEERN CC#CCCOc1cc(N)ccc1Br ZINC000230797586 348207187 /nfs/dbraw/zinc/20/71/87/348207187.db2.gz QUMJZHXKNMOOFO-UHFFFAOYSA-N 0 0 254.127 2.824 10 30 CFEERN C#CC(C)(C)Oc1ncnc(Cl)c1Br ZINC000232583019 348212241 /nfs/dbraw/zinc/21/22/41/348212241.db2.gz DLACQGLJWWMYQN-UHFFFAOYSA-N 0 0 275.533 2.683 10 30 CFEERN N#CCc1cc(OC(F)(F)F)ncc1Br ZINC000238527949 348246194 /nfs/dbraw/zinc/24/61/94/348246194.db2.gz RAXLDWMZNJFSKN-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN N#Cc1nccc(Br)c1OC(F)(F)F ZINC000238517999 348246325 /nfs/dbraw/zinc/24/63/25/348246325.db2.gz NEVNIUVAZFMWBZ-UHFFFAOYSA-N 0 0 267.004 2.614 10 30 CFEERN N#CCc1cncc(Br)c1OC(F)(F)F ZINC000238518627 348246672 /nfs/dbraw/zinc/24/66/72/348246672.db2.gz XNUOAWHKNOFMDI-UHFFFAOYSA-N 0 0 281.031 2.809 10 30 CFEERN 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/nfs/dbraw/zinc/25/80/57/188258057.db2.gz KHLVPIRQBARXHD-ZDUSSCGKSA-N 0 0 277.324 2.921 10 30 CFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccnc1C(F)(F)F ZINC000336583523 283057082 /nfs/dbraw/zinc/05/70/82/283057082.db2.gz WACNGCBRUDXUEK-WPRPVWTQSA-N 0 0 283.253 2.522 10 30 CFEERN C=CCOCCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000173106073 188841618 /nfs/dbraw/zinc/84/16/18/188841618.db2.gz MMWJUNUAPUECTQ-CQSZACIVSA-N 0 0 275.348 2.609 10 30 CFEERN COC(=O)[C@@H](N(CCC(C)(C)C)C(=O)CC#N)C(C)(C)C ZINC000071973919 291257548 /nfs/dbraw/zinc/25/75/48/291257548.db2.gz YKOIQYBHCDJUND-CYBMUJFWSA-N 0 0 296.411 2.753 10 30 CFEERN CO[C@@H](C)c1nc(CN(C)c2ccc(C#N)nc2)cs1 ZINC000301577180 201077855 /nfs/dbraw/zinc/07/78/55/201077855.db2.gz SYKLODRAEBPIKO-JTQLQIEISA-N 0 0 288.376 2.754 10 30 CFEERN Cc1csc(CN(C)c2cc(C)nc(C)c2C#N)n1 ZINC000301755345 201179080 /nfs/dbraw/zinc/17/90/80/201179080.db2.gz DBRHPRBMQVRTSO-UHFFFAOYSA-N 0 0 272.377 2.971 10 30 CFEERN Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301948077 201271335 /nfs/dbraw/zinc/27/13/35/201271335.db2.gz HULOMHPHDRKYIA-QWRGUYRKSA-N 0 0 259.353 2.938 10 30 CFEERN CC1(CCNc2ccc3cc(C#N)ccc3n2)OCCO1 ZINC000302168279 201377519 /nfs/dbraw/zinc/37/75/19/201377519.db2.gz SNOOIHUHUIWJTR-UHFFFAOYSA-N 0 0 283.331 2.671 10 30 CFEERN C=C(C)C(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000685961241 541476284 /nfs/dbraw/zinc/47/62/84/541476284.db2.gz FBUOWPULYFNCQR-LLVKDONJSA-N 0 0 253.342 2.825 10 30 CFEERN C=CC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000685962372 541477905 /nfs/dbraw/zinc/47/79/05/541477905.db2.gz FIBAUANLYLXUED-MNOVXSKESA-N 0 0 253.342 2.635 10 30 CFEERN C=CCC(=O)C1(CC)CN(C(=O)OC(C)(C)C)C1 ZINC000685958452 541470554 /nfs/dbraw/zinc/47/05/54/541470554.db2.gz OJJHFVYRLGGCDO-UHFFFAOYSA-N 0 0 253.342 2.779 10 30 CFEERN C/C=C/C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000685958867 541473195 /nfs/dbraw/zinc/47/31/95/541473195.db2.gz DDSQDOFHRREAHJ-AATRIKPKSA-N 0 0 253.342 2.779 10 30 CFEERN C/C=C/C(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000685959300 541473468 /nfs/dbraw/zinc/47/34/68/541473468.db2.gz RAQMOWXNTFRFAM-OWNNVSBGSA-N 0 0 253.342 2.921 10 30 CFEERN CCS[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234009930 189821000 /nfs/dbraw/zinc/82/10/00/189821000.db2.gz CZDUEPCWLAWGOA-JOYOIKCWSA-N 0 0 292.364 2.948 10 30 CFEERN C=C1C[C@H](CCCCC[C@H]2CC(=C)C(=O)O2)OC1=O ZINC000001740907 371705003 /nfs/dbraw/zinc/70/50/03/371705003.db2.gz DZTXELBOZZHUEL-STQMWFEESA-N 0 0 264.321 2.680 10 30 CFEERN Cc1cccc(Cc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000013520565 372030052 /nfs/dbraw/zinc/03/00/52/372030052.db2.gz ZJQIAXZESQBAFQ-UHFFFAOYSA-N 0 0 252.317 2.763 10 30 CFEERN O=C1c2ccc(O)cc2CC/C1=C\c1ccncc1 ZINC000013824056 372052172 /nfs/dbraw/zinc/05/21/72/372052172.db2.gz FAWOKMLNLQMFGL-UKTHLTGXSA-N 0 0 251.285 3.000 10 30 CFEERN C=C1C(=O)O[C@@H]2C[C@H](C)C(CC[C@H](C)O)=CC[C@H]12 ZINC000014620399 372070866 /nfs/dbraw/zinc/07/08/66/372070866.db2.gz KQEADOUDJYBGFC-DUBDDPSESA-N 0 0 250.338 2.602 10 30 biogenic,in-vitro CFEERN C[C@H](NNC(=S)N1CCC(C)CC1)c1ccccn1 ZINC000027300717 372337375 /nfs/dbraw/zinc/33/73/75/372337375.db2.gz XORDLVNKKLPLMU-LBPRGKRZSA-N 0 0 278.425 2.665 10 30 CFEERN CCCCOc1ccc(CCC(=O)N(C)O)cc1 ZINC000028102055 372356570 /nfs/dbraw/zinc/35/65/70/372356570.db2.gz YLQXMFZMIMIFJX-UHFFFAOYSA-N 0 0 251.326 2.646 10 30 CFEERN Cc1coc2c1[C@@H]1OC(=O)[C@@]3(CC/C=C(/C)C2)O[C@@H]13 ZINC000031970677 372423742 /nfs/dbraw/zinc/42/37/42/372423742.db2.gz KBMSVODXFLAQNJ-ZEBDJQDSSA-N 0 0 260.289 2.606 10 30 CFEERN C[C@H](Sc1ccccc1Br)/C(N)=N/O ZINC000043517301 372993252 /nfs/dbraw/zinc/99/32/52/372993252.db2.gz GDQQVLKKIMGNPO-LURJTMIESA-N 0 0 275.171 2.676 10 30 CFEERN C[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000044825984 373010392 /nfs/dbraw/zinc/01/03/92/373010392.db2.gz IGSWWTVAYOVCAP-IUCAKERBSA-N 0 0 281.153 2.786 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000061888539 373734151 /nfs/dbraw/zinc/73/41/51/373734151.db2.gz XJDIHZHLTOZBAC-TZMCWYRMSA-N 0 0 254.333 2.527 10 30 CFEERN 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265.032 2.922 10 30 CFEERN N#C[C@H]1CCC[C@H]1NCc1cc(O)ccc1Br ZINC000315445676 382528671 /nfs/dbraw/zinc/52/86/71/382528671.db2.gz PXKIFDLVLUAIEA-NOZJJQNGSA-N 0 0 295.180 2.937 10 30 CFEERN O=C(NC[C@H]1CCn2ccnc2C1)Nc1ccsc1 ZINC000328618754 382554588 /nfs/dbraw/zinc/55/45/88/382554588.db2.gz FARHMUXUVBZUPY-JTQLQIEISA-N 0 0 276.365 2.533 10 30 CFEERN CCCCCCCCN(C(=O)CC)[C@@H](CC)C(N)=O ZINC000043411383 184560207 /nfs/dbraw/zinc/56/02/07/184560207.db2.gz AAGUPNFHGQTDCY-ZDUSSCGKSA-N 0 0 270.417 2.849 10 30 CFEERN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190445724 382668687 /nfs/dbraw/zinc/66/86/87/382668687.db2.gz XEWDKNRTGGUCFD-CZUORRHYSA-N 0 0 289.350 2.603 10 30 CFEERN C#CCCCC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000192345650 382707467 /nfs/dbraw/zinc/70/74/67/382707467.db2.gz YXZSGEBGPCBVTI-GJZGRUSLSA-N 0 0 277.408 2.986 10 30 CFEERN N#Cc1cnc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000575374232 382761957 /nfs/dbraw/zinc/76/19/57/382761957.db2.gz AZMMEGMSAJSDKZ-UHFFFAOYSA-N 0 0 256.105 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CCOC(=O)Cc1cc(CC)cc(OC(F)F)c1C#N ZINC000575385246 382763855 /nfs/dbraw/zinc/76/38/55/382763855.db2.gz FYTVEDXTOAICGO-UHFFFAOYSA-N 0 0 283.274 2.828 10 30 CFEERN COC(=O)Cc1ccc(OC(F)F)c(C(F)F)c1C#N ZINC000575385330 382763881 /nfs/dbraw/zinc/76/38/81/382763881.db2.gz LFBGLVBHJBNIJV-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCc1cc(OC(F)F)c(C(=O)OC)cc1C#N ZINC000575385300 382763915 /nfs/dbraw/zinc/76/39/15/382763915.db2.gz JQGUCDQZUDQOBM-UHFFFAOYSA-N 0 0 255.220 2.509 10 30 CFEERN COC(=O)Cc1c(C(F)F)ccc(C#N)c1OC(F)F ZINC000575385468 382764209 /nfs/dbraw/zinc/76/42/09/382764209.db2.gz SWBIDCRQNKYAMI-UHFFFAOYSA-N 0 0 291.200 2.813 10 30 CFEERN CCOC(=O)c1ccc(C#N)c(CC)c1OC(F)F ZINC000575385489 382764346 /nfs/dbraw/zinc/76/43/46/382764346.db2.gz UTZVUSHUDPHFIN-UHFFFAOYSA-N 0 0 269.247 2.899 10 30 CFEERN CCOC(=O)c1cc(C#N)cc(C)c1OC(F)F ZINC000575388472 382764926 /nfs/dbraw/zinc/76/49/26/382764926.db2.gz JWCHDOHRXYVGKI-UHFFFAOYSA-N 0 0 255.220 2.645 10 30 CFEERN CCc1cc(C#N)cc(CC(=O)OC)c1OC(F)(F)F ZINC000575388712 382765271 /nfs/dbraw/zinc/76/52/71/382765271.db2.gz AHZCGSVGGYTHPB-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCc1c(CC(=O)OC)ccc(C#N)c1OC(F)(F)F ZINC000575389072 382765461 /nfs/dbraw/zinc/76/54/61/382765461.db2.gz VXHLOKLWXZJUQZ-UHFFFAOYSA-N 0 0 287.237 2.735 10 30 CFEERN CCOC(=O)Cc1c(C(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575389484 382765762 /nfs/dbraw/zinc/76/57/62/382765762.db2.gz PZBRGOVEYFOBCZ-UHFFFAOYSA-N 0 0 284.218 2.510 10 30 CFEERN CCc1cc(C(F)(F)F)cc(C#N)c1C(=O)OC ZINC000575389831 382766035 /nfs/dbraw/zinc/76/60/35/382766035.db2.gz QOSKCXARGQKBOT-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)c1cc(OC(F)(F)F)cc(F)c1C#N ZINC000575390424 382766085 /nfs/dbraw/zinc/76/60/85/382766085.db2.gz KUNSEZDNVAUNLH-UHFFFAOYSA-N 0 0 277.173 2.773 10 30 CFEERN CCc1cc(C(F)(F)F)c(C(=O)OC)cc1C#N ZINC000575390140 382766156 /nfs/dbraw/zinc/76/61/56/382766156.db2.gz WGCSEVSRPNNWRL-UHFFFAOYSA-N 0 0 257.211 2.926 10 30 CFEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1F ZINC000575390336 382766209 /nfs/dbraw/zinc/76/62/09/382766209.db2.gz ANMMQQPIHPGBET-UHFFFAOYSA-N 0 0 291.200 2.702 10 30 CFEERN CCOC(=O)c1cc(C=O)c(C(F)(F)F)cc1C#N ZINC000575390903 382766300 /nfs/dbraw/zinc/76/63/00/382766300.db2.gz ITNJNEVINGUUIW-UHFFFAOYSA-N 0 0 271.194 2.566 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)c(C#N)cc1C=O ZINC000575391031 382766329 /nfs/dbraw/zinc/76/63/29/382766329.db2.gz DSRIVYOUXNKABQ-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN COC(=O)c1cc(SC(F)(F)F)cc(C#N)c1C=O ZINC000575390900 382766337 /nfs/dbraw/zinc/76/63/37/382766337.db2.gz ASWNHCZXDYZXRW-UHFFFAOYSA-N 0 0 289.234 2.769 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1F ZINC000575390528 382766358 /nfs/dbraw/zinc/76/63/58/382766358.db2.gz UDFXEXRGCNZCGS-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)Cc1ccc(C#N)c(F)c1C(F)(F)F ZINC000575390517 382766491 /nfs/dbraw/zinc/76/64/91/382766491.db2.gz RXBGOBQSANZHHZ-UHFFFAOYSA-N 0 0 275.201 2.822 10 30 CFEERN CCOC(=O)c1c(C=O)c(C#N)ccc1C(F)(F)F ZINC000575391229 382766840 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/nfs/dbraw/zinc/88/16/15/169881615.db2.gz UWEUXMNJSWLYRY-WOJGMQOQSA-N 0 0 277.327 2.896 10 30 CFEERN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccco1 ZINC000005257426 170080419 /nfs/dbraw/zinc/08/04/19/170080419.db2.gz VSJOJYBDTXVNGC-FOWTUZBSSA-N 0 0 287.271 2.632 10 30 CFEERN CNC(=S)N/N=C(\C)c1ccc(Cl)c(Cl)c1 ZINC000005781529 170139805 /nfs/dbraw/zinc/13/98/05/170139805.db2.gz DXRCBRDEXSOCGK-MKMNVTDBSA-N 0 0 276.192 2.811 10 30 CFEERN CCOC(=O)C1=C(c2ccccc2)O[C@H](CC)[C@@H](C)C1=O ZINC000005923517 170156142 /nfs/dbraw/zinc/15/61/42/170156142.db2.gz JIIDXWVQFJHIRX-DGCLKSJQSA-N 0 0 288.343 2.975 10 30 CFEERN CN(C)C(=S)S/C=C\C(=O)c1ccccc1 ZINC000006007340 170168094 /nfs/dbraw/zinc/16/80/94/170168094.db2.gz ORWLXYJFWRBEQP-HJWRWDBZSA-N 0 0 251.376 2.963 10 30 CFEERN COc1ccc(OC(=O)C(C)C)c([C@H]2O[C@H]2C)c1 ZINC000006067030 170173643 /nfs/dbraw/zinc/17/36/43/170173643.db2.gz WSPQJFZGVXTTPB-ZANVPECISA-N 0 0 250.294 2.716 10 30 CFEERN C=CCOc1ccccc1NC(=O)CCC(=O)OCC ZINC000009815218 170385905 /nfs/dbraw/zinc/38/59/05/170385905.db2.gz SUDDBOICNSDXKJ-UHFFFAOYSA-N 0 0 277.320 2.533 10 30 CFEERN CN(C)/C=C\C(=O)c1cccc(Br)c1 ZINC000012340108 170477146 /nfs/dbraw/zinc/47/71/46/170477146.db2.gz FBICCVMQKCGCST-SREVYHEPSA-N 0 0 254.127 2.707 10 30 CFEERN CC(C)C[C@@H](C)OCc1ccccc1/C(N)=N/O ZINC000019473084 170805810 /nfs/dbraw/zinc/80/58/10/170805810.db2.gz CCWUCTAQECWZHP-LLVKDONJSA-N 0 0 250.342 2.732 10 30 CFEERN Cc1cc(C)c(C(=O)N2CCC(=NO)CC2)c(C)c1 ZINC000019479068 170809116 /nfs/dbraw/zinc/80/91/16/170809116.db2.gz LVKHHIQLULXUST-UHFFFAOYSA-N 0 0 260.337 2.678 10 30 CFEERN Cc1ccc(Nc2ncccc2C#N)cc1[N+](=O)[O-] ZINC000019506898 170818778 /nfs/dbraw/zinc/81/87/78/170818778.db2.gz RVMAVZRCCJXNEQ-UHFFFAOYSA-N 0 0 254.249 2.914 10 30 CFEERN Cc1ccc(OCc2ccccc2/C(N)=N/O)c(C)c1 ZINC000019808465 170877444 /nfs/dbraw/zinc/87/74/44/170877444.db2.gz HCWFCCIPMAVZOX-UHFFFAOYSA-N 0 0 270.332 2.977 10 30 CFEERN C=C(C(=O)OCC)[C@@H](O)c1ccccc1Br ZINC000019835310 170884443 /nfs/dbraw/zinc/88/44/43/170884443.db2.gz PUDIQVJCOYHRAG-LLVKDONJSA-N 0 0 285.137 2.602 10 30 CFEERN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(C#N)c1 ZINC000019966948 170948686 /nfs/dbraw/zinc/94/86/86/170948686.db2.gz UWCUPCDONWEPPH-UHFFFAOYSA-N 0 0 276.295 2.596 10 30 CFEERN C=CCN[C@H](C#N)c1ccc(Br)cc1 ZINC000020176237 171042434 /nfs/dbraw/zinc/04/24/34/171042434.db2.gz BNDFOLOXGCAATK-LLVKDONJSA-N 0 0 251.127 2.789 10 30 CFEERN Cc1nc(CNc2ccc(OCC#N)cc2)cs1 ZINC000020253217 171105620 /nfs/dbraw/zinc/10/56/20/171105620.db2.gz ZJBAOHSVNUGNOG-UHFFFAOYSA-N 0 0 259.334 2.966 10 30 CFEERN O=C1CCCC2=Nc3ncnn3[C@H](/C=C/c3ccccc3)C12 ZINC000020413931 171183056 /nfs/dbraw/zinc/18/30/56/171183056.db2.gz OOCKMBVFDZBBIL-ATWMFIQVSA-N 0 0 292.342 2.965 10 30 CFEERN C#Cc1cccc(N[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000020420087 171185813 /nfs/dbraw/zinc/18/58/13/171185813.db2.gz XIICASJAKNZPNN-LBPRGKRZSA-N 0 0 256.349 2.527 10 30 CFEERN C=CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1N ZINC000020422530 171189414 /nfs/dbraw/zinc/18/94/14/171189414.db2.gz ZZAMRXSWMPOQEI-QMMMGPOBSA-N 0 0 270.785 2.705 10 30 CFEERN C=CCN(CC=C)c1nc2ccccc2cc1CO ZINC000020446650 171206688 /nfs/dbraw/zinc/20/66/88/171206688.db2.gz UTULGBUVICEZBI-UHFFFAOYSA-N 0 0 254.333 2.906 10 30 CFEERN C=CCCOCCCC(=O)Nc1cccc(C#N)c1 ZINC000020519232 171233442 /nfs/dbraw/zinc/23/34/42/171233442.db2.gz PZCBXJZJHZEXLT-UHFFFAOYSA-N 0 0 258.321 2.870 10 30 CFEERN COc1ccc(COc2ccccc2C#N)cc1N ZINC000020564777 171253421 /nfs/dbraw/zinc/25/34/21/171253421.db2.gz LKCBKOOMYQXQBG-UHFFFAOYSA-N 0 0 254.289 2.728 10 30 CFEERN C=CCn1c(S[C@@H](C)C(=O)OCC)nnc1C(C)(C)C ZINC000020839264 171275641 /nfs/dbraw/zinc/27/56/41/171275641.db2.gz XWAMNCRJJNQZPE-JTQLQIEISA-N 0 0 297.424 2.805 10 30 CFEERN CC(=O)C[C@@](C#N)(Cc1c[nH]c2ccccc12)C(C)=O ZINC000022001219 171348260 /nfs/dbraw/zinc/34/82/60/171348260.db2.gz SJKMAOLLIRSPQC-INIZCTEOSA-N 0 0 268.316 2.788 10 30 CFEERN N#Cc1ccc(NC(=O)Nc2ccc(F)c(N)c2)cc1 ZINC000022167457 171366290 /nfs/dbraw/zinc/36/62/90/171366290.db2.gz JGUHTYQHVWBQPC-UHFFFAOYSA-N 0 0 270.267 2.924 10 30 CFEERN CCn1cc(Cl)c(C(=O)Nc2ccc(C#N)cc2)n1 ZINC000028222678 171551155 /nfs/dbraw/zinc/55/11/55/171551155.db2.gz NXNDRKKCQKDFMB-UHFFFAOYSA-N 0 0 274.711 2.680 10 30 CFEERN Fc1cccc(/C=N\NC(=S)NC2CCCCC2)c1 ZINC000033722769 171819326 /nfs/dbraw/zinc/81/93/26/171819326.db2.gz VEOGDKSIIZLOPG-YBEGLDIGSA-N 0 0 279.384 2.956 10 30 CFEERN CCC(CC)N(C)C(=O)COc1ccc(C#N)cc1 ZINC000035208010 172053572 /nfs/dbraw/zinc/05/35/72/172053572.db2.gz HFPQVWTZTOOCBY-UHFFFAOYSA-N 0 0 260.337 2.584 10 30 CFEERN CN(Cc1cccc(N)c1)Cc1ccccc1C#N ZINC000035359939 172150917 /nfs/dbraw/zinc/15/09/17/172150917.db2.gz HSLHLDMNUMXGOS-UHFFFAOYSA-N 0 0 251.333 2.772 10 30 CFEERN CCCCC1N=NC(=S)N1N=Cc1ccc(F)cc1 ZINC000035418349 172190418 /nfs/dbraw/zinc/19/04/18/172190418.db2.gz NTSJNHWSZNICGH-DHDCSXOGSA-N 0 0 278.356 2.931 10 30 CFEERN CCCCC1N=NC(=S)N1N=Cc1ccc(C)o1 ZINC000035455950 172206969 /nfs/dbraw/zinc/20/69/69/172206969.db2.gz NMVPZGPIFWUZET-JYRVWZFOSA-N 0 0 264.354 2.693 10 30 CFEERN N#Cc1ccc(OCCOc2ccccc2)c(N)c1 ZINC000035674921 172345036 /nfs/dbraw/zinc/34/50/36/172345036.db2.gz VQJRZMOHUXOLBQ-UHFFFAOYSA-N 0 0 254.289 2.598 10 30 CFEERN COCCC(=O)[C@@H](C#N)c1c(F)cccc1Cl ZINC000036930627 172811221 /nfs/dbraw/zinc/81/12/21/172811221.db2.gz QOISARWMOXFMQW-MRVPVSSYSA-N 0 0 255.676 2.692 10 30 CFEERN CCOc1nc(Oc2ccc(C#N)cc2)ccc1N ZINC000037068709 172930809 /nfs/dbraw/zinc/93/08/09/172930809.db2.gz RWQRTSZUJQPBER-UHFFFAOYSA-N 0 0 255.277 2.726 10 30 CFEERN C=CCN(CC=C)C(=O)CSc1ccc(F)cc1N ZINC000037194933 173023729 /nfs/dbraw/zinc/02/37/29/173023729.db2.gz PNEOJILDUNOBDC-UHFFFAOYSA-N 0 0 280.368 2.701 10 30 CFEERN C=CCNC(=O)[C@@H](C)Nc1cc(Br)ccc1C ZINC000037368331 173157174 /nfs/dbraw/zinc/15/71/74/173157174.db2.gz NEOUJJJRDUNGOS-SNVBAGLBSA-N 0 0 297.196 2.860 10 30 CFEERN CC(C)CNC(=O)[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000037389202 173172550 /nfs/dbraw/zinc/17/25/50/173172550.db2.gz FBCQYXCXUJBQLZ-JTQLQIEISA-N 0 0 279.771 2.784 10 30 CFEERN C[C@@H]1Cc2ccccc2N1c1ncc(N)cc1C#N ZINC000037758812 173683614 /nfs/dbraw/zinc/68/36/14/173683614.db2.gz VUQZTSWYFAOOFU-SNVBAGLBSA-N 0 0 250.305 2.618 10 30 CFEERN N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(N)c1 ZINC000038056458 174067450 /nfs/dbraw/zinc/06/74/50/174067450.db2.gz JUDDBBURZSQSON-UHFFFAOYSA-N 0 0 255.233 2.841 10 30 CFEERN CCC[C@@H]1NC(=O)NC(C)=C1C(=O)c1ccccc1 ZINC000038804004 174155553 /nfs/dbraw/zinc/15/55/53/174155553.db2.gz YLFSDSXZNCXMPM-LBPRGKRZSA-N 0 0 258.321 2.625 10 30 CFEERN C#CCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188409 174202952 /nfs/dbraw/zinc/20/29/52/174202952.db2.gz KESVXDDZNFMIGZ-UHFFFAOYSA-N 0 0 295.386 2.866 10 30 CFEERN COc1ccccc1Nc1nnc(C)c(C)c1C#N ZINC000040217626 174206075 /nfs/dbraw/zinc/20/60/75/174206075.db2.gz JULDZNILGPICRL-UHFFFAOYSA-N 0 0 254.293 2.717 10 30 CFEERN N#CC1(NC(=O)c2ccncc2)CCCCCCC1 ZINC000040221994 174207116 /nfs/dbraw/zinc/20/71/16/174207116.db2.gz KHQPBYBEWOCRGY-UHFFFAOYSA-N 0 0 257.337 2.818 10 30 CFEERN CCC[C@H](C#N)N1C(=O)CC2(CCCCCC2)C1=O ZINC000040222364 174207409 /nfs/dbraw/zinc/20/74/09/174207409.db2.gz GCLMCUPTJHXZPF-GFCCVEGCSA-N 0 0 262.353 2.778 10 30 CFEERN Cc1nn(CCC(=O)Nc2cccc(C#N)c2)c(C)c1C ZINC000040729982 174388076 /nfs/dbraw/zinc/38/80/76/174388076.db2.gz SQLZIYIDCJXDLG-UHFFFAOYSA-N 0 0 282.347 2.709 10 30 CFEERN CC(=O)Nc1ccccc1Oc1ccc(N)cc1C#N ZINC000041021403 174452101 /nfs/dbraw/zinc/45/21/01/174452101.db2.gz JBQGYYXOLPRVDT-UHFFFAOYSA-N 0 0 267.288 2.891 10 30 CFEERN Cc1cc(C(=O)OCc2ccccc2C#N)ccc1N ZINC000041095361 174478821 /nfs/dbraw/zinc/47/88/21/174478821.db2.gz FBOXDLVLQCSZIE-UHFFFAOYSA-N 0 0 266.300 2.806 10 30 CFEERN Cc1sc(C(=O)OCc2ccc(C#N)cc2)cc1N ZINC000041101377 174480226 /nfs/dbraw/zinc/48/02/26/174480226.db2.gz XILPLUQQTZVJRI-UHFFFAOYSA-N 0 0 272.329 2.867 10 30 CFEERN CCN(C[C@H](C)C#N)c1ccc(F)cc1[C@@H](C)O ZINC000042447575 174741453 /nfs/dbraw/zinc/74/14/53/174741453.db2.gz XSHZTXOUZZIKGL-GHMZBOCLSA-N 0 0 250.317 2.865 10 30 CFEERN CC(C)CN(C(=O)c1ccc(C#CCCO)s1)C(C)C ZINC000042597909 174815385 /nfs/dbraw/zinc/81/53/85/174815385.db2.gz WWQUPUYYVYWFRG-UHFFFAOYSA-N 0 0 293.432 2.989 10 30 CFEERN C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1/C(N)=N/O ZINC000042607775 174820588 /nfs/dbraw/zinc/82/05/88/174820588.db2.gz CLSAEQHLABZUGH-YPMHNXCESA-N 0 0 261.369 2.796 10 30 CFEERN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(C#CCO)s1 ZINC000042613188 174826142 /nfs/dbraw/zinc/82/61/42/174826142.db2.gz XBTYXOPKDSWWDL-GXTWGEPZSA-N 0 0 291.416 2.743 10 30 CFEERN CC(C)N(CC(=O)Nc1ccccc1C#N)CC(F)(F)F ZINC000042765323 174868756 /nfs/dbraw/zinc/86/87/56/174868756.db2.gz YYFHCXFVVMIEKN-UHFFFAOYSA-N 0 0 299.296 2.769 10 30 CFEERN Cc1c(F)cccc1NC(=O)c1ccccc1C#CCO ZINC000043322856 175006543 /nfs/dbraw/zinc/00/65/43/175006543.db2.gz ADZXWELQGAZZTI-UHFFFAOYSA-N 0 0 283.302 2.730 10 30 CFEERN CC(C)(C)CC(C)(C)NC(=O)c1ccc(C#CCO)cc1 ZINC000043438568 175045884 /nfs/dbraw/zinc/04/58/84/175045884.db2.gz SOCQJSJXCMIHNX-UHFFFAOYSA-N 0 0 287.403 2.975 10 30 CFEERN CC(C)n1nc(-c2ccc(C#N)c(F)c2)c2c1ncnc2N ZINC000043465534 175052801 /nfs/dbraw/zinc/05/28/01/175052801.db2.gz KKPLVYMQNDOYMQ-UHFFFAOYSA-N 0 0 296.309 2.667 10 30 CFEERN N#Cc1ccc(C(=O)Nc2ccc(N)cc2F)cc1 ZINC000043473556 175053928 /nfs/dbraw/zinc/05/39/28/175053928.db2.gz HXVJBQZTNFRUBF-UHFFFAOYSA-N 0 0 255.252 2.532 10 30 CFEERN C[C@@H](C#N)NCc1cc(Br)ccc1F ZINC000043515311 175061626 /nfs/dbraw/zinc/06/16/26/175061626.db2.gz MMDKCAWYAOXRDU-ZETCQYMHSA-N 0 0 257.106 2.590 10 30 CFEERN C[C@@H](C#N)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000043522956 175061832 /nfs/dbraw/zinc/06/18/32/175061832.db2.gz DXNDPBWUDGNLCG-JTQLQIEISA-N 0 0 251.351 2.670 10 30 CFEERN CC[C@@H](C#N)Oc1c(Br)cc(C=O)cc1OC ZINC000043542804 175063849 /nfs/dbraw/zinc/06/38/49/175063849.db2.gz HSWYCTXHSWAKNG-VIFPVBQESA-N 0 0 298.136 2.951 10 30 CFEERN CC[C@@H](C#N)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000043557823 175065009 /nfs/dbraw/zinc/06/50/09/175065009.db2.gz RZBHJAFORKCBRD-LBPRGKRZSA-N 0 0 251.351 2.886 10 30 CFEERN CCC[C@H](C)N(C)C(=O)c1ccc(C#CCCO)c(F)c1 ZINC000043582008 175070086 /nfs/dbraw/zinc/07/00/86/175070086.db2.gz WOCMDSFDMKRKDW-ZDUSSCGKSA-N 0 0 291.366 2.820 10 30 CFEERN C=CCN(C1CCCC1)S(=O)(=O)c1ccc(N)cc1F ZINC000043592756 175074467 /nfs/dbraw/zinc/07/44/67/175074467.db2.gz YSYACAPWSQGFRA-UHFFFAOYSA-N 0 0 298.383 2.527 10 30 CFEERN CN(Cc1ccoc1)Cc1sccc1C#CCCO ZINC000043678365 175088817 /nfs/dbraw/zinc/08/88/17/175088817.db2.gz GFZRLLBPXHTGIC-UHFFFAOYSA-N 0 0 275.373 2.707 10 30 CFEERN OCC#Cc1ccc(COc2ccc(F)cc2)s1 ZINC000043682536 175091306 /nfs/dbraw/zinc/09/13/06/175091306.db2.gz CWWQNGDHPYNIJI-UHFFFAOYSA-N 0 0 262.305 2.810 10 30 CFEERN OCC#Cc1ccc(CSc2ccccn2)s1 ZINC000043683235 175091387 /nfs/dbraw/zinc/09/13/87/175091387.db2.gz JVSWJOFVIDBXLZ-UHFFFAOYSA-N 0 0 261.371 2.779 10 30 CFEERN O=[N+]([O-])c1ccccc1OCc1cc(C#CCO)cs1 ZINC000043699374 175097521 /nfs/dbraw/zinc/09/75/21/175097521.db2.gz QLUQITBDQLDCNS-UHFFFAOYSA-N 0 0 289.312 2.579 10 30 CFEERN Cc1ccc(NC(=O)OC(C)C)c(C#CCCO)c1 ZINC000044240955 175155839 /nfs/dbraw/zinc/15/58/39/175155839.db2.gz AGQFTRDCSWEWCJ-UHFFFAOYSA-N 0 0 261.321 2.686 10 30 CFEERN O=[N+]([O-])c1ccc(OCc2cccc(C#CCO)c2)cc1 ZINC000049622071 175495291 /nfs/dbraw/zinc/49/52/91/175495291.db2.gz WCOAYYOLXHDYNH-UHFFFAOYSA-N 0 0 283.283 2.518 10 30 CFEERN COc1cccc2c1C(=O)N(Cc1nc(C)cs1)[C@@H]2C#N ZINC000071678698 176243495 /nfs/dbraw/zinc/24/34/95/176243495.db2.gz DFOKDIAWPAXTIT-LLVKDONJSA-N 0 0 299.355 2.681 10 30 CFEERN C#CCOC(=O)c1ccc(-c2ccc(N)cc2Cl)o1 ZINC000073640333 176480962 /nfs/dbraw/zinc/48/09/62/176480962.db2.gz CQTNIAJCDFOTMY-UHFFFAOYSA-N 0 0 275.691 2.972 10 30 CFEERN C[C@H]1C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000076545638 177036778 /nfs/dbraw/zinc/03/67/78/177036778.db2.gz STCYGJLRXDYKMA-CBAPKCEASA-N 0 0 281.262 2.690 10 30 CFEERN Cc1nn(C)c(N)c1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329358750 227467183 /nfs/dbraw/zinc/46/71/83/227467183.db2.gz XGVQSJJLYHAGLP-STQMWFEESA-N 0 0 290.411 2.832 10 30 CFEERN C[C@]1(CO)CCC[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329528756 227578094 /nfs/dbraw/zinc/57/80/94/227578094.db2.gz IFFDOXPNDFOHHR-SLEUVZQESA-N 0 0 282.384 2.641 10 30 CFEERN Cc1ncsc1NC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000329563964 227604331 /nfs/dbraw/zinc/60/43/31/227604331.db2.gz JYGAEORCFOLEMO-QMMMGPOBSA-N 0 0 279.321 2.927 10 30 CFEERN O=C(Cc1ccc2c(c1)NC(=O)C2)NC[C@@H]1CCCC1=O ZINC000330046988 228026856 /nfs/dbraw/zinc/02/68/56/228026856.db2.gz FDGXFKRVUUMMMU-LBPRGKRZSA-N 0 0 286.331 2.699 10 30 CFEERN C[C@]1(C(=O)Nc2cccc(-c3nc[nH]n3)c2)CCCNC1=O ZINC000330336251 228155163 /nfs/dbraw/zinc/15/51/63/228155163.db2.gz ZKFJUIYSAIOTRY-HNNXBMFYSA-N 0 0 299.334 2.816 10 30 CFEERN C=CC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000116852555 260005596 /nfs/dbraw/zinc/00/55/96/260005596.db2.gz PHCXRGSVNKSCLC-STQMWFEESA-N 0 0 296.411 2.714 10 30 CFEERN Cc1c(C#N)cccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189584714 260223678 /nfs/dbraw/zinc/22/36/78/260223678.db2.gz OMMOYGSCOGXWPN-AAEUAGOBSA-N 0 0 258.321 2.620 10 30 CFEERN Cc1csc([C@@H]2CN(CCCCC#N)CCO2)n1 ZINC000171037420 261456420 /nfs/dbraw/zinc/45/64/20/261456420.db2.gz HYQGVFIOBMYPPG-LBPRGKRZSA-N 0 0 265.382 2.519 10 30 CFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1Cl ZINC000310783545 262173090 /nfs/dbraw/zinc/17/30/90/262173090.db2.gz CDKQVPSYUCLURC-PRHODGIISA-N 0 0 266.703 2.901 10 30 CFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc2n1 ZINC000061888679 262405167 /nfs/dbraw/zinc/40/51/67/262405167.db2.gz AWNYRVOWMYEPBV-IUODEOHRSA-N 0 0 279.343 2.965 10 30 CFEERN CCc1nn(C)cc1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328766305 263858763 /nfs/dbraw/zinc/85/87/63/263858763.db2.gz FGBJAALIJMSNDT-JTQLQIEISA-N 0 0 278.356 2.860 10 30 CFEERN Cc1nc(CN(C)C(=O)NCCOC2CCCC2)cs1 ZINC000328830344 263875681 /nfs/dbraw/zinc/87/56/81/263875681.db2.gz UNXIYHLJGGCLJK-UHFFFAOYSA-N 0 0 297.424 2.757 10 30 CFEERN NC(=NO)c1nccc2c(Cl)cc(Cl)cc21 ZINC000521401459 265440900 /nfs/dbraw/zinc/44/09/00/265440900.db2.gz SOBDPPLSVRMHMB-UHFFFAOYSA-N 0 0 256.092 2.636 10 30 CFEERN C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000359672154 266620814 /nfs/dbraw/zinc/62/08/14/266620814.db2.gz JVZCXFXBNDCBFO-UKRRQHHQSA-N 0 0 270.332 2.673 10 30 CFEERN CN(C)/C=N/c1ccccc1I ZINC000003193408 276739334 /nfs/dbraw/zinc/73/93/34/276739334.db2.gz UFGZQSGWCRGMPX-YRNVUSSQSA-N 0 0 274.105 2.513 10 30 CFEERN CC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21 ZINC000091692341 277187402 /nfs/dbraw/zinc/18/74/02/277187402.db2.gz ZMOLHVSIRMEEPA-UHFFFAOYSA-N 0 0 290.363 2.901 10 30 CFEERN CC(C)(C#N)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000336136808 278259693 /nfs/dbraw/zinc/25/96/93/278259693.db2.gz OCUGDXLPHLJFPV-INIZCTEOSA-N 0 0 256.349 2.810 10 30 CFEERN Cc1nn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC000089195652 279186591 /nfs/dbraw/zinc/18/65/91/279186591.db2.gz SMGQJWZLNVGGEG-UHFFFAOYSA-N 0 0 257.293 3.000 10 30 CFEERN N#Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000335918257 279513333 /nfs/dbraw/zinc/51/33/33/279513333.db2.gz WIHOOGDXEDNITR-AWEZNQCLSA-N 0 0 266.300 2.959 10 30 CFEERN N#Cc1ccc2c(c1)C(=O)O[C@H]2c1ccc(F)cc1 ZINC000022059487 279528954 /nfs/dbraw/zinc/52/89/54/279528954.db2.gz VVXGNGGTQDOLGK-AWEZNQCLSA-N 0 0 253.232 2.957 10 30 in-vitro CFEERN Nc1cccc(C#Cc2ccc3c(c2)OCCC3=O)c1 ZINC000095929977 279702510 /nfs/dbraw/zinc/70/25/10/279702510.db2.gz MAJPFCYXZUVUJK-UHFFFAOYSA-N 0 0 263.296 2.634 10 30 CFEERN CCO[C@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000156544246 279902213 /nfs/dbraw/zinc/90/22/13/279902213.db2.gz GAHIKSNPGOBFSY-ZDUSSCGKSA-N 0 0 259.353 2.575 10 30 CFEERN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(Cl)c1C#N ZINC000033376777 280586894 /nfs/dbraw/zinc/58/68/94/280586894.db2.gz RFUFJPWPYRARHR-UWVGGRQHSA-N 0 0 265.744 2.529 10 30 CFEERN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)nc1 ZINC000115366563 280600862 /nfs/dbraw/zinc/60/08/62/280600862.db2.gz FTJIVKMHNZQTNU-CYBMUJFWSA-N 0 0 298.371 2.777 10 30 CFEERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C#N)cn1C)[C@@H](C)C2 ZINC000181230014 281113326 /nfs/dbraw/zinc/11/33/26/281113326.db2.gz GNDZQQZAFLRKFK-YVEFUNNKSA-N 0 0 293.370 2.869 10 30 CFEERN C[C@@H]1CN(c2cccc(C#N)n2)[C@@H](c2ccccc2)CO1 ZINC000301817920 297080032 /nfs/dbraw/zinc/08/00/32/297080032.db2.gz FKDMHWYYZBXQCA-CZUORRHYSA-N 0 0 279.343 2.920 10 30 CFEERN Cc1nnc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n1C1CC1 ZINC000329711374 302817276 /nfs/dbraw/zinc/81/72/76/302817276.db2.gz OMNCQZPONHRRAC-VXGBXAGGSA-N 0 0 278.356 2.571 10 30 CFEERN N#Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]32)cc1 ZINC000111248681 303188833 /nfs/dbraw/zinc/18/88/33/303188833.db2.gz QCVHRFKDKDWGAG-UKRRQHHQSA-N 0 0 254.333 2.963 10 30 CFEERN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CCCO ZINC000094335263 303189680 /nfs/dbraw/zinc/18/96/80/303189680.db2.gz IVEKGLPDPIORBO-LLVKDONJSA-N 0 0 299.296 2.713 10 30 CFEERN C[C@@H]1CC[C@H](NS(=O)(=O)CCCC#N)c2ccccc21 ZINC000162334278 327695779 /nfs/dbraw/zinc/69/57/79/327695779.db2.gz KVULINXKSLPFGX-DOMZBBRYSA-N 0 0 292.404 2.848 10 30 CFEERN Cc1ccc(NC(=O)CS)c(Br)c1 ZINC000084844402 327150622 /nfs/dbraw/zinc/15/06/22/327150622.db2.gz DVCOYJKWENQRLU-UHFFFAOYSA-N 0 0 260.156 2.626 10 30 CFEERN CCCCCCCCC(=O)N[C@H]1CCCn2ncnc21 ZINC000177576604 329187624 /nfs/dbraw/zinc/18/76/24/329187624.db2.gz OYDBKZUJPYTDRM-ZDUSSCGKSA-N 0 0 278.400 2.980 10 30 CFEERN C=C(C)CN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000180621772 329221364 /nfs/dbraw/zinc/22/13/64/329221364.db2.gz DQTKVFKEGPTLJL-CYBMUJFWSA-N 0 0 260.337 2.728 10 30 CFEERN C=CC[C@H](C(=O)NCCn1cc(C)cn1)c1ccccc1 ZINC000189662528 329384115 /nfs/dbraw/zinc/38/41/15/329384115.db2.gz CDPVHRDSEDVKEV-INIZCTEOSA-N 0 0 283.375 2.668 10 30 CFEERN CCC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)[O-] ZINC000262705681 330028216 /nfs/dbraw/zinc/02/82/16/330028216.db2.gz MPWHWJGTMGRXIU-OAHLLOKOSA-N 0 0 290.363 2.712 10 30 CFEERN C[C@H]1[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C=O ZINC000536954305 330382849 /nfs/dbraw/zinc/38/28/49/330382849.db2.gz KQDKIIWORLRCQO-WXHSDQCUSA-N 0 0 267.369 2.715 10 30 CFEERN C=CCN(CCOC)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000191972606 333227849 /nfs/dbraw/zinc/22/78/49/333227849.db2.gz BRMGUYQPGSHJMC-LSDHHAIUSA-N 0 0 265.397 2.864 10 30 CFEERN