smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CCCC12CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164689552 719737813 /nfs/dbraw/zinc/73/78/13/719737813.db2.gz HQAHYGWCTANFJG-UHFFFAOYSA-N 0 3 397.910 2.941 20 30 GFEDHN CC(C)c1ccc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869488 721054255 /nfs/dbraw/zinc/05/42/55/721054255.db2.gz SZTAODCFQQSGFQ-PMACEKPBSA-N 0 3 377.492 2.951 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCOC2 ZINC001164907267 721562091 /nfs/dbraw/zinc/56/20/91/721562091.db2.gz NRWQMXAUFIEASM-QUCCMNQESA-N 0 3 394.450 2.507 20 30 GFEDHN Cc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccc1CC#N ZINC001164960021 722060579 /nfs/dbraw/zinc/06/05/79/722060579.db2.gz CZNMZLZGBZFXCF-UHFFFAOYSA-N 0 3 391.519 2.970 20 30 GFEDHN Cc1cc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164972433 722111076 /nfs/dbraw/zinc/11/10/76/722111076.db2.gz FHYSIVXSDNBJTJ-PZJWPPBQSA-N 0 3 377.492 2.692 20 30 GFEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1CC#N ZINC001164972715 722146051 /nfs/dbraw/zinc/14/60/51/722146051.db2.gz AJVJBSBABBBLGG-RTWAWAEBSA-N 0 3 377.492 2.578 20 30 GFEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000185321872 552360953 /nfs/dbraw/zinc/36/09/53/552360953.db2.gz VSNIRNSATUGKHX-PBHICJAKSA-N 0 3 379.913 2.849 20 30 GFEDHN CC(C#N)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000427061716 563459426 /nfs/dbraw/zinc/45/94/26/563459426.db2.gz XDIPFSDNTUYFNH-NSHDSACASA-N 0 3 384.217 2.821 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000435156036 563643763 /nfs/dbraw/zinc/64/37/63/563643763.db2.gz UNCLJMKFUSDRTP-UHFFFAOYSA-N 0 3 377.432 2.974 20 30 GFEDHN C=CCOc1c(Br)cc(CN2CC[C@@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365659731 563789850 /nfs/dbraw/zinc/78/98/50/563789850.db2.gz NSVCRVMFWHZVND-KBPBESRZSA-N 0 3 395.297 2.590 20 30 GFEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(C#N)c1Br ZINC000448914352 563902928 /nfs/dbraw/zinc/90/29/28/563902928.db2.gz UUPIGJCNMHHJPV-CQSZACIVSA-N 0 3 380.286 2.504 20 30 GFEDHN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000509523687 564303237 /nfs/dbraw/zinc/30/32/37/564303237.db2.gz KZVBXZSUTPLHTJ-LBPRGKRZSA-N 0 3 381.860 2.980 20 30 GFEDHN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000567806369 564390164 /nfs/dbraw/zinc/39/01/64/564390164.db2.gz BTOZLXUCEAEBPF-WMLDXEAASA-N 0 3 393.329 2.675 20 30 GFEDHN C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN(C2CC2)C1 ZINC000452159545 564397084 /nfs/dbraw/zinc/39/70/84/564397084.db2.gz AAVIWVMNOVBTEC-CYBMUJFWSA-N 0 3 392.297 2.642 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000559639434 564938221 /nfs/dbraw/zinc/93/82/21/564938221.db2.gz BMKGBFQRBGVHPF-UHFFFAOYSA-N 0 3 388.331 2.718 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@H]2C(F)(F)F)nc1 ZINC000591749655 565239083 /nfs/dbraw/zinc/23/90/83/565239083.db2.gz HVFLRCCKADSJQM-UONOGXRCSA-N 0 3 375.416 2.685 20 30 GFEDHN C=CCN1CCC(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000592069461 565252857 /nfs/dbraw/zinc/25/28/57/565252857.db2.gz PXIPHNQKUDESFL-UHFFFAOYSA-N 0 3 377.282 2.992 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594441326 565385122 /nfs/dbraw/zinc/38/51/22/565385122.db2.gz QWIXXNCBMAAKFE-PBHICJAKSA-N 0 3 393.329 2.803 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595256977 565458629 /nfs/dbraw/zinc/45/86/29/565458629.db2.gz YTUAPSZJFFWPQN-HOTGVXAUSA-N 0 3 380.286 2.760 20 30 GFEDHN CN1CCCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000599416729 565676948 /nfs/dbraw/zinc/67/69/48/565676948.db2.gz XJCSONZKMKMAQM-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN CCC(C#N)C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600358304 565725951 /nfs/dbraw/zinc/72/59/51/565725951.db2.gz WIRQKNKCZBBRON-GTNSWQLSSA-N 0 3 379.254 2.516 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOc1ccc(Br)cc1 ZINC000600721413 565746429 /nfs/dbraw/zinc/74/64/29/565746429.db2.gz MDAJYCDZVNGKNK-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN N#CC1CCC([NH2+]CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000602663271 565861474 /nfs/dbraw/zinc/86/14/74/565861474.db2.gz RWYBTBZQCZEBLM-UHFFFAOYSA-N 0 3 376.309 2.944 20 30 GFEDHN N#Cc1cccc(CNC[C@@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000602683515 565862820 /nfs/dbraw/zinc/86/28/20/565862820.db2.gz ZWLWYGCKDKBSRY-ZDUSSCGKSA-N 0 3 378.245 2.796 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@H]2C2CC2)cc1 ZINC000602991119 565877701 /nfs/dbraw/zinc/87/77/01/565877701.db2.gz WCJAECRLISWBQE-LRDDRELGSA-N 0 3 379.507 2.732 20 30 GFEDHN C#CCN(C)CCCNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000818593347 660229356 /nfs/dbraw/zinc/22/93/56/660229356.db2.gz VGOJJSZCWVFDDG-UHFFFAOYSA-N 0 3 376.298 2.853 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000818609227 660230008 /nfs/dbraw/zinc/23/00/08/660230008.db2.gz PPBWDSBOJZWSMO-UHFFFAOYSA-N 0 3 394.244 2.928 20 30 GFEDHN C#C[C@@H](NC(=O)NC[C@H]1CCCN1CCOC)c1ccc(Br)cc1 ZINC000836316505 660899405 /nfs/dbraw/zinc/89/94/05/660899405.db2.gz QZDQWHDXSVFHDO-IAGOWNOFSA-N 0 3 394.313 2.533 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000125606375 654799417 /nfs/dbraw/zinc/79/94/17/654799417.db2.gz IPEKNIUHJQVJNE-UHFFFAOYSA-N 0 3 383.334 2.970 20 30 GFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(I)cc1C ZINC000838624414 661051294 /nfs/dbraw/zinc/05/12/94/661051294.db2.gz XUYOKCFKEXBTBD-UHFFFAOYSA-N 0 3 385.249 2.676 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCS[C@@H]3COCC[C@@H]32)sc2c1CCC2 ZINC000135538629 655019764 /nfs/dbraw/zinc/01/97/64/655019764.db2.gz BQTALMXQDDCWIQ-GOEBONIOSA-N 0 3 377.535 2.643 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000121182160 655348331 /nfs/dbraw/zinc/34/83/31/655348331.db2.gz HSLYBDSQNPWHIX-NSHDSACASA-N 0 3 397.909 2.929 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(C#N)CC1 ZINC000578109630 655472676 /nfs/dbraw/zinc/47/26/76/655472676.db2.gz BJJLXBMIMPQEMX-UHFFFAOYSA-N 0 3 379.302 2.826 20 30 GFEDHN N#Cc1ccc(NC(=S)N2CCN(CC3CCOCC3)CC2)cc1Cl ZINC000735985698 655656832 /nfs/dbraw/zinc/65/68/32/655656832.db2.gz XQNVYJQPKDZDCI-UHFFFAOYSA-N 0 3 378.929 2.953 20 30 GFEDHN N#Cc1c(NC[C@H](c2cccs2)N2CCCC2)cccc1S(N)(=O)=O ZINC000754961388 655877031 /nfs/dbraw/zinc/87/70/31/655877031.db2.gz MHLUTOHZVZDOSF-OAHLLOKOSA-N 0 3 376.507 2.516 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1scnc1Br ZINC000777849346 656838558 /nfs/dbraw/zinc/83/85/58/656838558.db2.gz QDFXKEBJCQTSLV-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1Br ZINC000847625342 661602370 /nfs/dbraw/zinc/60/23/70/661602370.db2.gz JIAJSXFZJGEYLN-CZUORRHYSA-N 0 3 379.254 2.904 20 30 GFEDHN C#CC[C@H](COC)NCc1cc(Br)cc(Br)c1N ZINC000862549220 662290924 /nfs/dbraw/zinc/29/09/24/662290924.db2.gz XLBYXWXYZLRZCN-LLVKDONJSA-N 0 3 376.092 2.922 20 30 GFEDHN CS(=O)(=O)c1ccc(CNC2CCN(c3ccccc3C#N)CC2)s1 ZINC000865695865 662436888 /nfs/dbraw/zinc/43/68/88/662436888.db2.gz RFNVDGQPMOTWBS-UHFFFAOYSA-N 0 3 375.519 2.782 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000876597423 662863218 /nfs/dbraw/zinc/86/32/18/662863218.db2.gz YWISPJHWDIPLSD-QWHCGFSZSA-N 0 3 389.677 2.639 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000876717924 662865412 /nfs/dbraw/zinc/86/54/12/662865412.db2.gz IROUWVADCYLLQT-CYBMUJFWSA-N 0 3 376.810 2.655 20 30 GFEDHN C#CCN(C(=O)Cc1cc(OC)ccc1Br)C1CCN(C)CC1 ZINC000886579606 663114319 /nfs/dbraw/zinc/11/43/19/663114319.db2.gz ATRPUVYBLINMMB-UHFFFAOYSA-N 0 3 379.298 2.556 20 30 GFEDHN CO[C@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054919 663588705 /nfs/dbraw/zinc/58/87/05/663588705.db2.gz LOTAVDOCEVQSQY-AEJSXWLSSA-N 0 3 383.279 2.895 20 30 GFEDHN C#CCN(C(=O)NCc1cc(Br)ccc1F)C1CCN(C)CC1 ZINC000914143800 664379583 /nfs/dbraw/zinc/37/95/83/664379583.db2.gz LYAIGGWLYOOHJK-UHFFFAOYSA-N 0 3 382.277 2.827 20 30 GFEDHN CC(C)(O)C[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945398 664844203 /nfs/dbraw/zinc/84/42/03/664844203.db2.gz WOIQJLBQHOXHJX-CIUDSAMLSA-N 0 3 385.295 2.611 20 30 GFEDHN N#Cc1cc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2[nH]1 ZINC001164984595 722137764 /nfs/dbraw/zinc/13/77/64/722137764.db2.gz XMWZYFJOQQWMHB-DYESRHJHSA-N 0 3 388.475 2.557 20 30 GFEDHN COc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000180868831 552238183 /nfs/dbraw/zinc/23/81/83/552238183.db2.gz DGCMEKJLOPQQQY-WHBPPDGWSA-N 0 3 394.269 2.635 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000187191654 552408644 /nfs/dbraw/zinc/40/86/44/552408644.db2.gz ZAFNJMLYXDBXNZ-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN C=CCN1CCC(NC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000279643100 563304279 /nfs/dbraw/zinc/30/42/79/563304279.db2.gz AUBMPAGKHSQHDC-UHFFFAOYSA-N 0 3 377.286 2.785 20 30 GFEDHN C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000372810011 563317914 /nfs/dbraw/zinc/31/79/14/563317914.db2.gz MGLJDWUAWLADBG-HNAYVOBHSA-N 0 3 391.357 2.779 20 30 GFEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000378483325 563508649 /nfs/dbraw/zinc/50/86/49/563508649.db2.gz INQHRXQDKDCFJT-GOSISDBHSA-N 0 3 391.357 2.921 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429395259 563516197 /nfs/dbraw/zinc/51/61/97/563516197.db2.gz SMLKGOHUEMUVAX-HNNXBMFYSA-N 0 3 380.286 2.674 20 30 GFEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007807 563540963 /nfs/dbraw/zinc/54/09/63/563540963.db2.gz JLKMGXVNAKLVLH-CHWSQXEVSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(C#N)c1Br ZINC000331304912 563545353 /nfs/dbraw/zinc/54/53/53/563545353.db2.gz FUPHKHSGGIGQAF-CYBMUJFWSA-N 0 3 379.302 2.651 20 30 GFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000286800230 563575634 /nfs/dbraw/zinc/57/56/34/563575634.db2.gz SUCSILRRSFTCQE-IUODEOHRSA-N 0 3 398.326 2.568 20 30 GFEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2C)n1 ZINC000434567173 563632302 /nfs/dbraw/zinc/63/23/02/563632302.db2.gz PLBTUTRUMVCKHD-VIFPVBQESA-N 0 3 382.239 2.911 20 30 GFEDHN C=CCOc1c(Br)cc(CNCC(C)(C)OCCO)cc1OC ZINC000288551818 563647502 /nfs/dbraw/zinc/64/75/02/563647502.db2.gz XUBLAFJIFYYVOK-UHFFFAOYSA-N 0 3 388.302 2.900 20 30 GFEDHN O=C(NCCN[C@@H]1CCc2sc(Br)cc21)C1N=CC=CC1=O ZINC000294554729 563846578 /nfs/dbraw/zinc/84/65/78/563846578.db2.gz BCXNIKRCBRKGPX-ZEIZSXSISA-N 0 3 382.283 2.614 20 30 GFEDHN CN1CCC[C@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000416561006 563848365 /nfs/dbraw/zinc/84/83/65/563848365.db2.gz SSRJULGZIJMWMX-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@@H]1CCCN(CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449636043 564192912 /nfs/dbraw/zinc/19/29/12/564192912.db2.gz ZCXAOGGUYAUXQF-CYBMUJFWSA-N 0 3 380.286 2.548 20 30 GFEDHN CS[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1N(C)C ZINC000539477505 564221022 /nfs/dbraw/zinc/22/10/22/564221022.db2.gz HHCVCFBJWVSZHA-IAGOWNOFSA-N 0 3 380.945 2.564 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000564864872 564253603 /nfs/dbraw/zinc/25/36/03/564253603.db2.gz UMOUYTJAFHEFLF-JCNLHEQBSA-N 0 3 375.881 2.916 20 30 GFEDHN CC(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000478446233 564402334 /nfs/dbraw/zinc/40/23/34/564402334.db2.gz MBNCABRTJHZLIL-WFASDCNBSA-N 0 3 397.260 2.531 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000453650927 564462412 /nfs/dbraw/zinc/46/24/12/564462412.db2.gz BKBPVNLIEODHCB-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000546731907 564466175 /nfs/dbraw/zinc/46/61/75/564466175.db2.gz MGOIVZSSYVJIMQ-ZDUSSCGKSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000486669925 564662099 /nfs/dbraw/zinc/66/20/99/564662099.db2.gz INBXBRQMNCLUAT-FZMZJTMJSA-N 0 3 384.237 2.670 20 30 GFEDHN N#Cc1cc(Br)ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000554210053 564753980 /nfs/dbraw/zinc/75/39/80/564753980.db2.gz POXVIZOQSLGLTG-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000582315478 564840962 /nfs/dbraw/zinc/84/09/62/564840962.db2.gz SAZWUUYFZNWKON-AWEZNQCLSA-N 0 3 383.945 2.907 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccsc1C#N ZINC000593556904 565340268 /nfs/dbraw/zinc/34/02/68/565340268.db2.gz AVHUWPBSWLQFNO-UHFFFAOYSA-N 0 3 383.461 2.905 20 30 GFEDHN CC(C)C[N@H+](C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593616363 565347152 /nfs/dbraw/zinc/34/71/52/565347152.db2.gz LLMUOXXRLVKBQW-UHFFFAOYSA-N 0 3 377.432 2.833 20 30 GFEDHN CC(C)C[N@@H+](C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593616363 565347156 /nfs/dbraw/zinc/34/71/56/565347156.db2.gz LLMUOXXRLVKBQW-UHFFFAOYSA-N 0 3 377.432 2.833 20 30 GFEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccccc1Br ZINC000602570029 565855567 /nfs/dbraw/zinc/85/55/67/565855567.db2.gz GPKDCEUXOPYJEC-CABCVRRESA-N 0 3 397.313 2.877 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2ncc(I)s2)CC1 ZINC000603437023 565906847 /nfs/dbraw/zinc/90/68/47/565906847.db2.gz GZLMHVGYWWNWKP-UHFFFAOYSA-N 0 3 391.278 2.518 20 30 GFEDHN C#CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000819702292 599635704 /nfs/dbraw/zinc/63/57/04/599635704.db2.gz XMAQIOFGDGJZPF-FQEVSTJZSA-N 0 3 386.459 2.818 20 30 GFEDHN C#CC[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000819702292 599635705 /nfs/dbraw/zinc/63/57/05/599635705.db2.gz XMAQIOFGDGJZPF-FQEVSTJZSA-N 0 3 386.459 2.818 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739781 599668743 /nfs/dbraw/zinc/66/87/43/599668743.db2.gz HJUIBZZRSZWSQU-APWZRJJASA-N 0 3 397.527 2.926 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555117 609333201 /nfs/dbraw/zinc/33/32/01/609333201.db2.gz UTYZVHASKJRTOW-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555117 609333203 /nfs/dbraw/zinc/33/32/03/609333203.db2.gz UTYZVHASKJRTOW-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@H](C)CCN2)nc1C ZINC000817910633 660211898 /nfs/dbraw/zinc/21/18/98/660211898.db2.gz CELKCMCVNFVTPZ-MWLCHTKSSA-N 0 3 378.527 2.511 20 30 GFEDHN C#CCNC(=O)C1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000827589091 660503544 /nfs/dbraw/zinc/50/35/44/660503544.db2.gz XOSFAAFPZWUOPF-UHFFFAOYSA-N 0 3 391.309 2.873 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000057928659 654812523 /nfs/dbraw/zinc/81/25/23/654812523.db2.gz LTFPYPPURUMFMM-UHFFFAOYSA-N 0 3 375.519 2.810 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000129655475 654870500 /nfs/dbraw/zinc/87/05/00/654870500.db2.gz LCPZZHAQVILCIX-WFASDCNBSA-N 0 3 381.270 2.804 20 30 GFEDHN CN1CCN(CCC(C)(C)NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000769763821 656290502 /nfs/dbraw/zinc/29/05/02/656290502.db2.gz JWAXKAHHMCDSNZ-UHFFFAOYSA-N 0 3 379.961 2.914 20 30 GFEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)[S@@]1=O ZINC000796378304 658914930 /nfs/dbraw/zinc/91/49/30/658914930.db2.gz OVCQAKTUPDBCLC-VKALNGJKSA-N 0 3 375.519 2.704 20 30 GFEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000796794399 658939558 /nfs/dbraw/zinc/93/95/58/658939558.db2.gz TZWVMPAINJKBLP-SNVBAGLBSA-N 0 3 382.804 2.503 20 30 GFEDHN C#CCSCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810146734 659964725 /nfs/dbraw/zinc/96/47/25/659964725.db2.gz VYYYWANMZOQXIG-UHFFFAOYSA-N 0 3 376.219 2.655 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000815860955 660133220 /nfs/dbraw/zinc/13/32/20/660133220.db2.gz JTXCGGLQRBAHGY-UHFFFAOYSA-N 0 3 394.313 2.582 20 30 GFEDHN C[C@]1(CNS(=O)(=O)c2ccsc2C#N)CCN(Cc2ccccc2)C1 ZINC000845927905 661507226 /nfs/dbraw/zinc/50/72/26/661507226.db2.gz YERAYQGHSRRDFQ-GOSISDBHSA-N 0 3 375.519 2.810 20 30 GFEDHN CN(CCn1cc(C#N)c(I)n1)Cc1ccc(F)cc1 ZINC000853726127 661898684 /nfs/dbraw/zinc/89/86/84/661898684.db2.gz UVFIVKRUJRTXKK-UHFFFAOYSA-N 0 3 384.196 2.630 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000876876793 662867516 /nfs/dbraw/zinc/86/75/16/662867516.db2.gz VATIJWMUFFJICV-HNNXBMFYSA-N 0 3 385.295 2.876 20 30 GFEDHN C[C@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884097074 663065093 /nfs/dbraw/zinc/06/50/93/663065093.db2.gz SFPSUUNFGGISPW-PBIRYHDKSA-N 0 3 376.298 2.636 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3sc(Br)cc3C1)C2 ZINC000884409202 663070359 /nfs/dbraw/zinc/07/03/59/663070359.db2.gz CMEGMMFRRFQTCI-BWBHSNQOSA-N 0 3 380.311 2.535 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3ccc(F)c(Br)c3C1)C2 ZINC000884429831 663070653 /nfs/dbraw/zinc/07/06/53/663070653.db2.gz VLDWLIDHFCLVEZ-XYEKJYRLSA-N 0 3 392.272 2.612 20 30 GFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907187417 664010392 /nfs/dbraw/zinc/01/03/92/664010392.db2.gz MXAWNHMQZPFMIM-MLGOLLRUSA-N 0 3 398.326 2.568 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000916875348 664473670 /nfs/dbraw/zinc/47/36/70/664473670.db2.gz MXXOXKTXKQLDEC-LBPRGKRZSA-N 0 3 377.491 2.584 20 30 GFEDHN C=C(Br)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001071087987 677675928 /nfs/dbraw/zinc/67/59/28/677675928.db2.gz AQPSOGDONCIBDO-DZUCGIPZSA-N 0 3 385.346 2.927 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164763301 721196992 /nfs/dbraw/zinc/19/69/92/721196992.db2.gz FGRICAZYZUJFET-ICSRJNTNSA-N 0 3 376.508 2.524 20 30 GFEDHN N#Cc1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977330 722111337 /nfs/dbraw/zinc/11/13/37/722111337.db2.gz MOAPSMWKGPGQSB-VQIMIIECSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1cc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982778 722134266 /nfs/dbraw/zinc/13/42/66/722134266.db2.gz SIJUNJBGLUIKBU-VQIMIIECSA-N 0 3 383.883 2.729 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CCOCC2)cc1OCC ZINC000060807049 551183844 /nfs/dbraw/zinc/18/38/44/551183844.db2.gz HXKBNOYQMWBHPI-UHFFFAOYSA-N 0 3 399.329 2.834 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)ccc1Cl ZINC000121580845 551237714 /nfs/dbraw/zinc/23/77/14/551237714.db2.gz DWRNUJPCMVYCGH-ACJLOTCBSA-N 0 3 379.913 2.849 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000162046845 551602635 /nfs/dbraw/zinc/60/26/35/551602635.db2.gz TYRAVLHRUKHGJX-UHFFFAOYSA-N 0 3 381.270 2.750 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000171721326 551662167 /nfs/dbraw/zinc/66/21/67/551662167.db2.gz NKOXERPPJICUGZ-MRXNPFEDSA-N 0 3 379.913 2.910 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000180303437 552222200 /nfs/dbraw/zinc/22/22/00/552222200.db2.gz IIPOPLNISUVOKO-UHFFFAOYSA-N 0 3 379.254 2.519 20 30 GFEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000181103642 552246785 /nfs/dbraw/zinc/24/67/85/552246785.db2.gz BZHCZJJCHLCCHX-QGZVFWFLSA-N 0 3 377.330 2.533 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1c[nH]c(C#N)c1 ZINC000181248487 552251028 /nfs/dbraw/zinc/25/10/28/552251028.db2.gz PGILIBSLAGEFSD-UHFFFAOYSA-N 0 3 375.270 2.853 20 30 GFEDHN CN1CC[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369538091 563216552 /nfs/dbraw/zinc/21/65/52/563216552.db2.gz ALOSPXCMHLURJV-SJLPKXTDSA-N 0 3 375.519 2.732 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)c2nccs2)cc1 ZINC000278576927 563262393 /nfs/dbraw/zinc/26/23/93/563262393.db2.gz JSIXELFIBNYPGX-NEPJUHHUSA-N 0 3 378.479 2.754 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@]2(O)CCO[C@H]2C)cc1OC ZINC000278609552 563263541 /nfs/dbraw/zinc/26/35/41/563263541.db2.gz ISISBMHRLPIXJQ-SJCJKPOMSA-N 0 3 386.286 2.652 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000280830091 563356176 /nfs/dbraw/zinc/35/61/76/563356176.db2.gz XRGUWCKYHVYVPU-UHFFFAOYSA-N 0 3 380.242 2.949 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000424090955 563370200 /nfs/dbraw/zinc/37/02/00/563370200.db2.gz CSZWEPVZIFTUES-CABCVRRESA-N 0 3 383.279 2.944 20 30 GFEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000375017307 563388032 /nfs/dbraw/zinc/38/80/32/563388032.db2.gz HEYWETUTKJCOAH-VDHUWJSZSA-N 0 3 382.913 2.943 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283623130 563449940 /nfs/dbraw/zinc/44/99/40/563449940.db2.gz OWLJWINDHLPYAF-QGZVFWFLSA-N 0 3 396.329 2.822 20 30 GFEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C ZINC000329731398 563486840 /nfs/dbraw/zinc/48/68/40/563486840.db2.gz PSUARJQHHNWRTA-RBSFLKMASA-N 0 3 385.555 2.731 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@@H]1N(C)C ZINC000330705649 563518327 /nfs/dbraw/zinc/51/83/27/563518327.db2.gz KWLWQSVJJVYEEX-NWDGAFQWSA-N 0 3 378.420 2.546 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncsc1Br ZINC000288133217 563630240 /nfs/dbraw/zinc/63/02/40/563630240.db2.gz XPZCGXVRLFBTKI-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncsc1Br ZINC000288635323 563650751 /nfs/dbraw/zinc/65/07/51/563650751.db2.gz MXFDLKNRRSNDTA-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)s1 ZINC000435446582 563652433 /nfs/dbraw/zinc/65/24/33/563652433.db2.gz KQKFHXMBZQDSPS-UHFFFAOYSA-N 0 3 383.461 2.905 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)c(Br)cc2C)CC1 ZINC000289163122 563670160 /nfs/dbraw/zinc/67/01/60/563670160.db2.gz UNVNAAWLTGJPIF-UHFFFAOYSA-N 0 3 393.281 2.828 20 30 GFEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000416385927 563821366 /nfs/dbraw/zinc/82/13/66/563821366.db2.gz KBHXBPMRINNXGA-CQSZACIVSA-N 0 3 398.326 2.616 20 30 GFEDHN CC(C)C[C@H](CN(C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000449801155 564203198 /nfs/dbraw/zinc/20/31/98/564203198.db2.gz DJGOPKPLVLCOFV-CYBMUJFWSA-N 0 3 382.302 2.792 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000450347038 564228639 /nfs/dbraw/zinc/22/86/39/564228639.db2.gz INAZQLDDDQAONA-GOSISDBHSA-N 0 3 387.281 2.765 20 30 GFEDHN N#CCc1cccc(Br)c1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000568056347 564402090 /nfs/dbraw/zinc/40/20/90/564402090.db2.gz PAHYPKAALDGMPI-UHFFFAOYSA-N 0 3 392.297 2.637 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000517309216 564530887 /nfs/dbraw/zinc/53/08/87/564530887.db2.gz CZBNWUQOJBTIHE-GFCCVEGCSA-N 0 3 384.307 2.878 20 30 GFEDHN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(CC)CC1 ZINC000576196394 564707252 /nfs/dbraw/zinc/70/72/52/564707252.db2.gz QAAAVTRIKQPDRF-UHFFFAOYSA-N 0 3 393.333 2.764 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000584167643 564923497 /nfs/dbraw/zinc/92/34/97/564923497.db2.gz BSDDMIHVUGUXTB-SUMWQHHRSA-N 0 3 380.330 2.868 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccccc3Cl)CC2)nc1 ZINC000591757787 565238506 /nfs/dbraw/zinc/23/85/06/565238506.db2.gz RFWHJNOPBCLZLZ-UHFFFAOYSA-N 0 3 375.881 2.702 20 30 GFEDHN N#Cc1sccc1S(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000593536293 565339588 /nfs/dbraw/zinc/33/95/88/565339588.db2.gz PYXZRBNMIQLKMI-MRXNPFEDSA-N 0 3 375.519 2.810 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000594431031 565384349 /nfs/dbraw/zinc/38/43/49/565384349.db2.gz GAXYYXAKXCQYRA-HOTGVXAUSA-N 0 3 380.286 2.760 20 30 GFEDHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](N)CCCCC#N ZINC000594439925 565385191 /nfs/dbraw/zinc/38/51/91/565385191.db2.gz TTWUQMBZKJZKRF-CQSZACIVSA-N 0 3 395.301 2.614 20 30 GFEDHN N#Cc1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c(Br)c1 ZINC000595587472 565483732 /nfs/dbraw/zinc/48/37/32/565483732.db2.gz CXEZOFSTYUZGRC-KRWDZBQOSA-N 0 3 379.298 2.978 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672695652 565815050 /nfs/dbraw/zinc/81/50/50/565815050.db2.gz RSTXXZWIYCIQIR-AWEZNQCLSA-N 0 3 383.945 2.907 20 30 GFEDHN C=CCOc1c(Br)cc(CNCC[C@@]2(O)CCOC2)cc1OC ZINC000651941859 565906491 /nfs/dbraw/zinc/90/64/91/565906491.db2.gz MNNNABVBABDNIS-QGZVFWFLSA-N 0 3 386.286 2.654 20 30 GFEDHN C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000735437174 598467641 /nfs/dbraw/zinc/46/76/41/598467641.db2.gz YTFSWGRMXZPKIW-UHFFFAOYSA-N 0 3 391.479 2.585 20 30 GFEDHN C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000735437174 598467642 /nfs/dbraw/zinc/46/76/42/598467642.db2.gz YTFSWGRMXZPKIW-UHFFFAOYSA-N 0 3 391.479 2.585 20 30 GFEDHN N#Cc1ccc(OC2CC[NH+](CCOc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737722216 598765496 /nfs/dbraw/zinc/76/54/96/598765496.db2.gz QNBTZSLQAIHYJH-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000735418442 599505745 /nfs/dbraw/zinc/50/57/45/599505745.db2.gz FDCADBKFXMPYTB-IBGZPJMESA-N 0 3 397.527 2.829 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000735418442 599505746 /nfs/dbraw/zinc/50/57/46/599505746.db2.gz FDCADBKFXMPYTB-IBGZPJMESA-N 0 3 397.527 2.829 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000818603202 660229955 /nfs/dbraw/zinc/22/99/55/660229955.db2.gz UBYHOJAJUVUOSU-UHFFFAOYSA-N 0 3 389.297 2.628 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000835057434 660839671 /nfs/dbraw/zinc/83/96/71/660839671.db2.gz CBQUKWSRDRZGEU-XHSDSOJGSA-N 0 3 393.281 2.804 20 30 GFEDHN N#CC(C(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccccn1 ZINC000049457601 654715454 /nfs/dbraw/zinc/71/54/54/654715454.db2.gz WVHQETHFXOQDHK-CYBMUJFWSA-N 0 3 390.212 2.980 20 30 GFEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130493099 654889609 /nfs/dbraw/zinc/88/96/09/654889609.db2.gz WHQSJJFMKBSDEU-QPUJVOFHSA-N 0 3 398.275 2.950 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408274 655120611 /nfs/dbraw/zinc/12/06/11/655120611.db2.gz UAGBKZRKRJAJAD-ZDUSSCGKSA-N 0 3 387.299 2.695 20 30 GFEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000171566894 655152322 /nfs/dbraw/zinc/15/23/22/655152322.db2.gz CZYAPFWMUWNTAU-NHYWBVRUSA-N 0 3 382.247 2.899 20 30 GFEDHN C#CCCN1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000839529555 661090111 /nfs/dbraw/zinc/09/01/11/661090111.db2.gz XVAIWSKIADRRDZ-UHFFFAOYSA-N 0 3 382.277 2.558 20 30 GFEDHN COc1ccc(C(C)=NNC(=S)NCCSC)cc1CN1CCCC1 ZINC000769599243 656281765 /nfs/dbraw/zinc/28/17/65/656281765.db2.gz RIAXRIAVSMTWNX-UHFFFAOYSA-N 0 3 380.583 2.842 20 30 GFEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000793125461 658361321 /nfs/dbraw/zinc/36/13/21/658361321.db2.gz QEFLULXRFKTLLK-GFCCVEGCSA-N 0 3 381.219 2.591 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793729482 658432103 /nfs/dbraw/zinc/43/21/03/658432103.db2.gz WVJMTJMGXOUCJT-CQSZACIVSA-N 0 3 383.945 2.907 20 30 GFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cc(Br)cn1 ZINC000842686104 661349035 /nfs/dbraw/zinc/34/90/35/661349035.db2.gz JZEKXALWGHEQMZ-BXUZGUMPSA-N 0 3 375.226 2.944 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000845979659 661516786 /nfs/dbraw/zinc/51/67/86/661516786.db2.gz GIFOEFCPUHQVAR-UHFFFAOYSA-N 0 3 376.671 2.657 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876719143 662865363 /nfs/dbraw/zinc/86/53/63/662865363.db2.gz DMVFQMPFADOYDJ-ZDUSSCGKSA-N 0 3 377.794 2.950 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000876876886 662867540 /nfs/dbraw/zinc/86/75/40/662867540.db2.gz KBNBKQQYHOIJBR-OAHLLOKOSA-N 0 3 385.295 2.794 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000876878326 662867621 /nfs/dbraw/zinc/86/76/21/662867621.db2.gz ZLPVTFNMEGROIY-HNNXBMFYSA-N 0 3 385.295 2.876 20 30 GFEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876181 662908088 /nfs/dbraw/zinc/90/80/88/662908088.db2.gz TXVZBTQLPYBXPX-SJLPKXTDSA-N 0 3 388.265 2.902 20 30 GFEDHN Cc1cc(Br)c2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@H]3C#N)C2 ZINC000884450737 663070946 /nfs/dbraw/zinc/07/09/46/663070946.db2.gz RKAAXFOLCBIGCB-XAUUPUKJSA-N 0 3 388.309 2.782 20 30 GFEDHN CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287607 663088775 /nfs/dbraw/zinc/08/87/75/663088775.db2.gz VBLQMQGTEOYUAV-IUCAKERBSA-N 0 3 382.295 2.958 20 30 GFEDHN C#CCN(C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C1CCN(C)CC1 ZINC000886572513 663113917 /nfs/dbraw/zinc/11/39/17/663113917.db2.gz ORWPLWCOYQUUIA-CEXWTWQISA-N 0 3 387.321 2.891 20 30 GFEDHN C#CCN(C(=O)CCc1ccc(Br)cc1OC)C1CCN(C)CC1 ZINC000886578738 663114090 /nfs/dbraw/zinc/11/40/90/663114090.db2.gz JVHRVMKFLZZDNS-UHFFFAOYSA-N 0 3 393.325 2.946 20 30 GFEDHN C#CCN(C(=O)c1cn(C(C)(C)C)nc1Br)C1CCN(C)CC1 ZINC000886578949 663114288 /nfs/dbraw/zinc/11/42/88/663114288.db2.gz RVHBNBJIOGCNEG-UHFFFAOYSA-N 0 3 381.318 2.570 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000886580073 663114294 /nfs/dbraw/zinc/11/42/94/663114294.db2.gz UNGGVPAUUUQYME-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN O[C@@H](CNC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000905447530 663872032 /nfs/dbraw/zinc/87/20/32/663872032.db2.gz SCLAMHXLINCRLK-VHSXEESVSA-N 0 3 383.235 2.767 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000922628507 664608880 /nfs/dbraw/zinc/60/88/80/664608880.db2.gz DNSBZTLXSVASGN-MRXNPFEDSA-N 0 3 379.302 2.646 20 30 GFEDHN N#CC1(c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)CCOCC1 ZINC001164726948 720427614 /nfs/dbraw/zinc/42/76/14/720427614.db2.gz CMGQUXKDOLZVPX-LEWJYISDSA-N 0 3 389.503 2.902 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164871503 721140334 /nfs/dbraw/zinc/14/03/34/721140334.db2.gz FCAGVHPOTIKKKD-RTWAWAEBSA-N 0 3 389.503 2.707 20 30 GFEDHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(C#N)n1 ZINC001164908076 721710512 /nfs/dbraw/zinc/71/05/12/721710512.db2.gz VDGFIDAPMUKFAK-IBGZPJMESA-N 0 3 384.434 2.789 20 30 GFEDHN Cc1ccc(CC#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972666 722145084 /nfs/dbraw/zinc/14/50/84/722145084.db2.gz AGSXMRINPKJGFW-LEWJYISDSA-N 0 3 377.492 2.578 20 30 GFEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1CC#N ZINC001164972711 722145802 /nfs/dbraw/zinc/14/58/02/722145802.db2.gz AJVJBSBABBBLGG-NHCUHLMSSA-N 0 3 377.492 2.578 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 ZINC000041518872 551135732 /nfs/dbraw/zinc/13/57/32/551135732.db2.gz NLUWHDKKBDZNJO-SMDDNHRTSA-N 0 3 375.475 2.652 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2I)CC1 ZINC000171716751 551662132 /nfs/dbraw/zinc/66/21/32/551662132.db2.gz SLGFNUQLPOETDB-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1Cl ZINC000173967138 552096470 /nfs/dbraw/zinc/09/64/70/552096470.db2.gz DDSNXDBQIZDXNI-VIFPVBQESA-N 0 3 380.691 2.708 20 30 GFEDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416492741 563838761 /nfs/dbraw/zinc/83/87/61/563838761.db2.gz FATXRFQFMNVIFH-UHFFFAOYSA-N 0 3 388.331 2.719 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000424177015 563372492 /nfs/dbraw/zinc/37/24/92/563372492.db2.gz SXPNEBHTSNKGPM-MRXNPFEDSA-N 0 3 380.286 2.840 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H](CO)CCOC)cc1OCC ZINC000282159313 563400461 /nfs/dbraw/zinc/40/04/61/563400461.db2.gz IILDHGSZCBTYOB-AWEZNQCLSA-N 0 3 388.302 2.900 20 30 GFEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761463 563423342 /nfs/dbraw/zinc/42/33/42/563423342.db2.gz VJXINFONVRGXNT-XHDPSFHLSA-N 0 3 375.416 2.538 20 30 GFEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329220372 563475544 /nfs/dbraw/zinc/47/55/44/563475544.db2.gz TVBCFTYEWRXTFD-GJZGRUSLSA-N 0 3 385.555 2.732 20 30 GFEDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000329312361 563478264 /nfs/dbraw/zinc/47/82/64/563478264.db2.gz PVUUNHJESIVKCO-JSGCOSHPSA-N 0 3 392.297 2.995 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(c3cccc(Br)c3C#N)C2)CC1 ZINC000377979238 563492755 /nfs/dbraw/zinc/49/27/55/563492755.db2.gz WMRSNEZRGWLSRV-HNNXBMFYSA-N 0 3 377.330 2.785 20 30 GFEDHN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000330268230 563499918 /nfs/dbraw/zinc/49/99/18/563499918.db2.gz QZZOFTNMOSVXHC-CYBMUJFWSA-N 0 3 381.267 2.900 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@H]1N(C)C ZINC000330705647 563518036 /nfs/dbraw/zinc/51/80/36/563518036.db2.gz KWLWQSVJJVYEEX-NEPJUHHUSA-N 0 3 378.420 2.546 20 30 GFEDHN COc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c(Br)c1 ZINC000331317917 563545173 /nfs/dbraw/zinc/54/51/73/563545173.db2.gz ZDEXAXOMPLSVCF-UHFFFAOYSA-N 0 3 399.333 2.810 20 30 GFEDHN CC1CCN(C[C@H](O)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000331329256 563546066 /nfs/dbraw/zinc/54/60/66/563546066.db2.gz QHWGNNBHURILLM-CQSZACIVSA-N 0 3 380.286 2.718 20 30 GFEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292597 563608440 /nfs/dbraw/zinc/60/84/40/563608440.db2.gz XZXQKGNOKOIXDX-ZFWWWQNUSA-N 0 3 394.313 2.714 20 30 GFEDHN CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435444048 563651137 /nfs/dbraw/zinc/65/11/37/563651137.db2.gz USFQQQTWDZNQRV-QGZVFWFLSA-N 0 3 375.519 2.809 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000364924786 563768816 /nfs/dbraw/zinc/76/88/16/563768816.db2.gz QZKCGOZXUNMMFB-HNNXBMFYSA-N 0 3 377.330 2.785 20 30 GFEDHN C=CCSCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449131979 563907025 /nfs/dbraw/zinc/90/70/25/563907025.db2.gz QUFDKVHFFSVSAH-GFCCVEGCSA-N 0 3 387.343 2.971 20 30 GFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1cccc(Br)c1C#N ZINC000450489340 564234878 /nfs/dbraw/zinc/23/48/78/564234878.db2.gz ZTNNQRXOBABOGI-ZDUSSCGKSA-N 0 3 394.313 2.888 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)CC1 ZINC000508823011 564273248 /nfs/dbraw/zinc/27/32/48/564273248.db2.gz APEVLPHRQGKUBR-UHFFFAOYSA-N 0 3 393.333 3.000 20 30 GFEDHN Cc1cc(CNCCNS(=O)(=O)c2ccc(F)cc2Cl)ccc1C#N ZINC000509405942 564296451 /nfs/dbraw/zinc/29/64/51/564296451.db2.gz VPHOPVVZXZYGOE-UHFFFAOYSA-N 0 3 381.860 2.727 20 30 GFEDHN CN(C)C(=O)CCN1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000542121078 564301521 /nfs/dbraw/zinc/30/15/21/564301521.db2.gz GNJBDSPXAABBFF-UHFFFAOYSA-N 0 3 379.302 2.675 20 30 GFEDHN CN1CCC[C@@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000452145705 564396132 /nfs/dbraw/zinc/39/61/32/564396132.db2.gz DMXNYXKTCLQBMD-GOSISDBHSA-N 0 3 392.297 2.644 20 30 GFEDHN C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)s1 ZINC000452162741 564397127 /nfs/dbraw/zinc/39/71/27/564397127.db2.gz IRKCJNBSMOEGAC-HNNXBMFYSA-N 0 3 376.551 2.918 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@]2(C)CCC(=O)N2)cc1OC ZINC000453596119 564459634 /nfs/dbraw/zinc/45/96/34/564459634.db2.gz ZLMNPOIFDZZPIQ-QGZVFWFLSA-N 0 3 383.286 2.781 20 30 GFEDHN CCN(CC)CCN(C(=O)CSCC#N)c1ccc(Br)cn1 ZINC000572802408 564611170 /nfs/dbraw/zinc/61/11/70/564611170.db2.gz TZWQHSQPOQDWQT-UHFFFAOYSA-N 0 3 385.331 2.776 20 30 GFEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000522376440 564651121 /nfs/dbraw/zinc/65/11/21/564651121.db2.gz WQICUGACNDVGFT-ZDUSSCGKSA-N 0 3 375.416 2.539 20 30 GFEDHN N#Cc1ccc(CNC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000552016737 564673849 /nfs/dbraw/zinc/67/38/49/564673849.db2.gz PUZAAMQRLXMPLQ-AWEZNQCLSA-N 0 3 379.482 2.559 20 30 GFEDHN CN(C)[C@@]1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCSC1 ZINC000487831569 564697043 /nfs/dbraw/zinc/69/70/43/564697043.db2.gz CELQGKZELZGAQA-OAHLLOKOSA-N 0 3 383.315 2.880 20 30 GFEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1cc(Br)cn1 ZINC000492296653 564800268 /nfs/dbraw/zinc/80/02/68/564800268.db2.gz SPQRWNQOGRJNKJ-HNNXBMFYSA-N 0 3 375.270 2.924 20 30 GFEDHN COCCN(CCC(=O)N(C)CCC#N)Cc1cc(Br)cs1 ZINC000494087443 564816760 /nfs/dbraw/zinc/81/67/60/564816760.db2.gz GODMTNVFSWCUOZ-UHFFFAOYSA-N 0 3 388.331 2.721 20 30 GFEDHN CCN1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000582160738 564833350 /nfs/dbraw/zinc/83/33/50/564833350.db2.gz ILZKMOCPWHWYLT-UHFFFAOYSA-N 0 3 375.416 2.587 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000584167641 564923043 /nfs/dbraw/zinc/92/30/43/564923043.db2.gz BSDDMIHVUGUXTB-DYVFJYSZSA-N 0 3 380.330 2.868 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000563139430 565056983 /nfs/dbraw/zinc/05/69/83/565056983.db2.gz GQMNXWWLGYXDHE-AWEZNQCLSA-N 0 3 381.929 2.613 20 30 GFEDHN CN1CCC2(CCCN2C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593138526 565315658 /nfs/dbraw/zinc/31/56/58/565315658.db2.gz VRWLAGNDCBBTOC-UHFFFAOYSA-N 0 3 376.298 2.950 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198185 565378808 /nfs/dbraw/zinc/37/88/08/565378808.db2.gz SUVMHRJCHAQDSM-SJORKVTESA-N 0 3 376.298 2.996 20 30 GFEDHN COC(=O)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425920 565384175 /nfs/dbraw/zinc/38/41/75/565384175.db2.gz BMOPMBILOYQGTP-LSDHHAIUSA-N 0 3 396.285 2.581 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594439701 565385510 /nfs/dbraw/zinc/38/55/10/565385510.db2.gz YQYKZMQSYKHPFG-ZBFHGGJFSA-N 0 3 379.302 2.555 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000594438636 565385932 /nfs/dbraw/zinc/38/59/32/565385932.db2.gz PDITYEIVNTUSFR-RHSMWYFYSA-N 0 3 393.329 2.803 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000594456353 565387642 /nfs/dbraw/zinc/38/76/42/565387642.db2.gz MSRAWSBLBCDRNQ-CYBMUJFWSA-N 0 3 392.257 2.527 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Cl)ccc1I ZINC000595257799 565458707 /nfs/dbraw/zinc/45/87/07/565458707.db2.gz XADYSBISDOKQQQ-LBPRGKRZSA-N 0 3 391.640 2.582 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256098 565459314 /nfs/dbraw/zinc/45/93/14/565459314.db2.gz AWOGHNFTYPYSHD-HOTGVXAUSA-N 0 3 380.286 2.760 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCOC[C@H]2O)cc1OCC ZINC000623764660 565529566 /nfs/dbraw/zinc/52/95/66/565529566.db2.gz IHJRFJXBHGEZCZ-HUUCEWRRSA-N 0 3 386.286 2.652 20 30 GFEDHN CC[C@H]1CN(C)CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000597606227 565567703 /nfs/dbraw/zinc/56/77/03/565567703.db2.gz VKCGOCIJYUHVGF-ZDUSSCGKSA-N 0 3 380.286 2.642 20 30 GFEDHN Cc1ccc2c(ncc(C#N)c2NCCN2CC[C@H](O)C2)c1Br ZINC000599199151 565661548 /nfs/dbraw/zinc/66/15/48/565661548.db2.gz FOYHMCWONTXKAS-ZDUSSCGKSA-N 0 3 375.270 2.656 20 30 GFEDHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](N)CCCCC#N ZINC000602580665 565856128 /nfs/dbraw/zinc/85/61/28/565856128.db2.gz YJPCPPUAZGZTFH-GDBMZVCRSA-N 0 3 388.295 2.603 20 30 GFEDHN CS(=O)(=O)Nc1cccc(CNCCSCc2ccccc2C#N)c1 ZINC000608982593 566028710 /nfs/dbraw/zinc/02/87/10/566028710.db2.gz VNDMZSUCVRGRLA-UHFFFAOYSA-N 0 3 375.519 2.953 20 30 GFEDHN C=CCOCCNCc1cc(I)c(OC)c(OC)c1 ZINC000611543953 566136328 /nfs/dbraw/zinc/13/63/28/566136328.db2.gz TZPZNVCPNQZPKO-UHFFFAOYSA-N 0 3 377.222 2.601 20 30 GFEDHN N#CCOc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737694860 598539909 /nfs/dbraw/zinc/53/99/09/598539909.db2.gz FNIPKUNDNJUWEW-UHFFFAOYSA-N 0 3 390.447 2.812 20 30 GFEDHN C=CC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743297 606317158 /nfs/dbraw/zinc/31/71/58/606317158.db2.gz GNWWHOKFRFFSAX-UHFFFAOYSA-N 0 3 395.442 2.605 20 30 GFEDHN C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743297 606317159 /nfs/dbraw/zinc/31/71/59/606317159.db2.gz GNWWHOKFRFFSAX-UHFFFAOYSA-N 0 3 395.442 2.605 20 30 GFEDHN N#Cc1ccc(CN2CCC([NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)CC2)cc1 ZINC000826384568 609251882 /nfs/dbraw/zinc/25/18/82/609251882.db2.gz AQCXZJIGHVJBEE-UHFFFAOYSA-N 0 3 399.502 2.982 20 30 GFEDHN N#Cc1ccc(CN2CCC([NH2+]C3(c4cccc(-c5nn[n-]n5)c4)CC3)CC2)cc1 ZINC000826384568 609251884 /nfs/dbraw/zinc/25/18/84/609251884.db2.gz AQCXZJIGHVJBEE-UHFFFAOYSA-N 0 3 399.502 2.982 20 30 GFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000818588651 660229106 /nfs/dbraw/zinc/22/91/06/660229106.db2.gz AFBYQJBQKRKOBS-GFCCVEGCSA-N 0 3 387.705 2.941 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c(OCCC)c(OC)c1 ZINC000818595558 660229423 /nfs/dbraw/zinc/22/94/23/660229423.db2.gz AOOXVXCVBIGLHP-UHFFFAOYSA-N 0 3 397.313 2.931 20 30 GFEDHN C#CCN(C)CCCNC(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000818603196 660229971 /nfs/dbraw/zinc/22/99/71/660229971.db2.gz SZYITMAGJKZCCL-UHFFFAOYSA-N 0 3 376.551 2.862 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000836490089 660910526 /nfs/dbraw/zinc/91/05/26/660910526.db2.gz GOVMETPOZQQHAP-CQSZACIVSA-N 0 3 382.327 2.850 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000836490055 660910537 /nfs/dbraw/zinc/91/05/37/660910537.db2.gz DXWCJSJNHAEGIX-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN CC(C)(C)N1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000139768298 655044702 /nfs/dbraw/zinc/04/47/02/655044702.db2.gz HBCRXHANFDQJDL-UHFFFAOYSA-N 0 3 388.331 2.978 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cnc2N(C)C)CC1 ZINC000113174179 655204572 /nfs/dbraw/zinc/20/45/72/655204572.db2.gz JTCHCYHAGPYJMX-UHFFFAOYSA-N 0 3 381.318 2.680 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(C(=O)OC)C1 ZINC000726606568 655536620 /nfs/dbraw/zinc/53/66/20/655536620.db2.gz KZAUVIMJCJTZJG-HNNXBMFYSA-N 0 3 381.270 2.782 20 30 GFEDHN C=CCOCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000795458300 658822190 /nfs/dbraw/zinc/82/21/90/658822190.db2.gz XHJRZQJZYNUDOJ-CYBMUJFWSA-N 0 3 382.254 2.938 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000876580594 662863050 /nfs/dbraw/zinc/86/30/50/662863050.db2.gz OLBFPINZILXOCS-AWEZNQCLSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733332 662865513 /nfs/dbraw/zinc/86/55/13/662865513.db2.gz VSJGSCGJOYRIID-DOMZBBRYSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccc(Br)cc1OC ZINC000876896553 662867743 /nfs/dbraw/zinc/86/77/43/662867743.db2.gz HJPNGWTYHLEQCK-CYBMUJFWSA-N 0 3 375.694 2.976 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Br)cc1 ZINC000884092522 663064915 /nfs/dbraw/zinc/06/49/15/663064915.db2.gz HROKPXWHLOWXSV-BTUGKURYSA-N 0 3 390.325 2.982 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCc1cccc(Br)c1)C2 ZINC000884132091 663065595 /nfs/dbraw/zinc/06/55/95/663065595.db2.gz GHXFKJLHLIVIBJ-CSLYMUCUSA-N 0 3 376.298 2.637 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000886580118 663114350 /nfs/dbraw/zinc/11/43/50/663114350.db2.gz WGCIVLKUJQBQST-UHFFFAOYSA-N 0 3 394.269 2.835 20 30 GFEDHN CN(CCN1CC2(C1)CCOCC2)Cc1cc(C#N)ccc1Br ZINC000895861716 663530776 /nfs/dbraw/zinc/53/07/76/663530776.db2.gz RQFQCONPHBPXOZ-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN C=C(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC ZINC000901084097 663730302 /nfs/dbraw/zinc/73/03/02/663730302.db2.gz YJAKFPBCTFYASF-UHFFFAOYSA-N 0 3 375.441 2.561 20 30 GFEDHN N#CC(C(=O)Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916939635 664474470 /nfs/dbraw/zinc/47/44/70/664474470.db2.gz RFFVOIUOBOTLCC-JTQLQIEISA-N 0 3 399.607 2.786 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000916919959 664474552 /nfs/dbraw/zinc/47/45/52/664474552.db2.gz DYEOPIKLWBPSKD-MRXNPFEDSA-N 0 3 387.233 2.992 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1Br ZINC000192971220 552979313 /nfs/dbraw/zinc/97/93/13/552979313.db2.gz IUAQDEOIYNKCSB-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CCN1CCN(CC(C)(C)NCc2ccc(C#N)cc2Br)CC1 ZINC000451984432 564376018 /nfs/dbraw/zinc/37/60/18/564376018.db2.gz LAUMIWVFKUTIBO-UHFFFAOYSA-N 0 3 379.346 2.826 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(c3ccc(C#N)cc3Br)C2)CC1 ZINC000372384754 563303873 /nfs/dbraw/zinc/30/38/73/563303873.db2.gz SCEPAGLAEUVOJV-INIZCTEOSA-N 0 3 377.330 2.785 20 30 GFEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000297635951 563332041 /nfs/dbraw/zinc/33/20/41/563332041.db2.gz LMOZUQVKNWZPDK-KRWDZBQOSA-N 0 3 396.329 2.774 20 30 GFEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373734567 563349228 /nfs/dbraw/zinc/34/92/28/563349228.db2.gz CTGJQSBVBJTVRY-INIZCTEOSA-N 0 3 375.519 2.762 20 30 GFEDHN N#Cc1ccc(OC(=O)C2CCN(C3CC3)CC2)c(I)c1 ZINC000281167802 563368531 /nfs/dbraw/zinc/36/85/31/563368531.db2.gz XKJARGHLGQXQIQ-UHFFFAOYSA-N 0 3 396.228 2.943 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000424090959 563370259 /nfs/dbraw/zinc/37/02/59/563370259.db2.gz CSZWEPVZIFTUES-HUUCEWRRSA-N 0 3 383.279 2.944 20 30 GFEDHN CN1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377389584 563473267 /nfs/dbraw/zinc/47/32/67/563473267.db2.gz NCTXWMBTYCOBIW-WMZOPIPTSA-N 0 3 375.519 2.732 20 30 GFEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CCSC1 ZINC000330033813 563494130 /nfs/dbraw/zinc/49/41/30/563494130.db2.gz AMZMTINZLCJUKX-YJBOKZPZSA-N 0 3 381.567 2.675 20 30 GFEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCCC1 ZINC000330369139 563502875 /nfs/dbraw/zinc/50/28/75/563502875.db2.gz BFEXJMHNHDGXHK-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049202 563532935 /nfs/dbraw/zinc/53/29/35/563532935.db2.gz VMAWWTCQLKBZRR-PBHICJAKSA-N 0 3 375.519 2.809 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000362967805 563711265 /nfs/dbraw/zinc/71/12/65/563711265.db2.gz VIJMDMMNAHFDEX-AWEZNQCLSA-N 0 3 381.929 2.773 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000364924787 563768596 /nfs/dbraw/zinc/76/85/96/563768596.db2.gz QZKCGOZXUNMMFB-OAHLLOKOSA-N 0 3 377.330 2.785 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H]2CC[C@@H](CO)O2)cc1OC ZINC000292831149 563796483 /nfs/dbraw/zinc/79/64/83/563796483.db2.gz XUBBVPGZTJJLDE-KGLIPLIRSA-N 0 3 386.286 2.652 20 30 GFEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(C#N)c1Br ZINC000448914351 563902988 /nfs/dbraw/zinc/90/29/88/563902988.db2.gz UUPIGJCNMHHJPV-AWEZNQCLSA-N 0 3 380.286 2.504 20 30 GFEDHN C[NH+](C)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000565082103 564265494 /nfs/dbraw/zinc/26/54/94/564265494.db2.gz ASMGILGXBBIGGH-ZDUSSCGKSA-N 0 3 383.926 2.897 20 30 GFEDHN CS[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000542772268 564325920 /nfs/dbraw/zinc/32/59/20/564325920.db2.gz BDZXKEQRYKYGAD-QZTJIDSGSA-N 0 3 375.563 2.830 20 30 GFEDHN C[C@H]1CN(CCCNC(=O)Nc2ccc(C#N)c(Br)c2)CCCO1 ZINC000487887881 564698948 /nfs/dbraw/zinc/69/89/48/564698948.db2.gz YNAVARXVTHTESG-ZDUSSCGKSA-N 0 3 395.301 2.943 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000577147148 564726254 /nfs/dbraw/zinc/72/62/54/564726254.db2.gz CJQRGHLEMSKVIW-CQSZACIVSA-N 0 3 391.317 2.895 20 30 GFEDHN CC[C@@H](C#N)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000593478666 565335608 /nfs/dbraw/zinc/33/56/08/565335608.db2.gz NZHDRLRBQMYQRM-AWEZNQCLSA-N 0 3 394.313 2.958 20 30 GFEDHN C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593571412 565343032 /nfs/dbraw/zinc/34/30/32/565343032.db2.gz HUEUMOWSQRZBOG-ZBFHGGJFSA-N 0 3 375.519 2.809 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000594431005 565383955 /nfs/dbraw/zinc/38/39/55/565383955.db2.gz FNEPHJLIVIDXAR-HZPDHXFCSA-N 0 3 380.286 2.760 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594441330 565385243 /nfs/dbraw/zinc/38/52/43/565385243.db2.gz QWIXXNCBMAAKFE-YOEHRIQHSA-N 0 3 393.329 2.803 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000594455927 565386447 /nfs/dbraw/zinc/38/64/47/565386447.db2.gz FRCIEBIYTSUUPO-ZDUSSCGKSA-N 0 3 392.257 2.527 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000594775493 565418850 /nfs/dbraw/zinc/41/88/50/565418850.db2.gz BJFUZXLICAHUOM-SFHVURJKSA-N 0 3 375.519 2.798 20 30 GFEDHN C[C@@H](CC#N)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000597265546 565558387 /nfs/dbraw/zinc/55/83/87/565558387.db2.gz NRVWOZDJTYEDNP-AWEZNQCLSA-N 0 3 394.313 2.958 20 30 GFEDHN CC(C#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598911305 565649010 /nfs/dbraw/zinc/64/90/10/565649010.db2.gz UMOKHINGCBQNPL-NSHDSACASA-N 0 3 379.258 2.721 20 30 GFEDHN N#CC1(C[C@H](O)CNCc2ccc(Br)c(F)c2F)CCOCC1 ZINC000600761543 565748588 /nfs/dbraw/zinc/74/85/88/565748588.db2.gz KVCLFAINMZCDCC-LBPRGKRZSA-N 0 3 389.240 2.888 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000672695675 565814454 /nfs/dbraw/zinc/81/44/54/565814454.db2.gz RSTXXZWIYCIQIR-CQSZACIVSA-N 0 3 383.945 2.907 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602858911 565871745 /nfs/dbraw/zinc/87/17/45/565871745.db2.gz CPAONBNJZUWZHX-ZIAGYGMSSA-N 0 3 379.302 2.696 20 30 GFEDHN C=C(C)COc1cc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000819722212 599451781 /nfs/dbraw/zinc/45/17/81/599451781.db2.gz CNGYGKMAPAFLNQ-UHFFFAOYSA-N 0 3 395.463 2.999 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822837590 599637032 /nfs/dbraw/zinc/63/70/32/599637032.db2.gz OPNWFRKMSYUVRR-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822837590 599637033 /nfs/dbraw/zinc/63/70/33/599637033.db2.gz OPNWFRKMSYUVRR-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822837590 599637034 /nfs/dbraw/zinc/63/70/34/599637034.db2.gz OPNWFRKMSYUVRR-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822837590 599637035 /nfs/dbraw/zinc/63/70/35/599637035.db2.gz OPNWFRKMSYUVRR-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-c4nnn[n-]4)cs3)CC2)nc1 ZINC000826385838 608570716 /nfs/dbraw/zinc/57/07/16/608570716.db2.gz DEOKLBUAEBVANL-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3cc(-c4nn[n-]n4)cs3)CC2)nc1 ZINC000826385838 608570719 /nfs/dbraw/zinc/57/07/19/608570719.db2.gz DEOKLBUAEBVANL-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN C=C(C)C[N@H+](C)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000823877624 609370605 /nfs/dbraw/zinc/37/06/05/609370605.db2.gz BWSBEIXWAOFSCH-UHFFFAOYSA-N 0 3 397.483 2.763 20 30 GFEDHN C=C(C)C[N@@H+](C)CCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1 ZINC000823877624 609370608 /nfs/dbraw/zinc/37/06/08/609370608.db2.gz BWSBEIXWAOFSCH-UHFFFAOYSA-N 0 3 397.483 2.763 20 30 GFEDHN C=C(C)C[N@H+](C)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000823877624 609370610 /nfs/dbraw/zinc/37/06/10/609370610.db2.gz BWSBEIXWAOFSCH-UHFFFAOYSA-N 0 3 397.483 2.763 20 30 GFEDHN C=C(C)C[N@@H+](C)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000823877624 609370612 /nfs/dbraw/zinc/37/06/12/609370612.db2.gz BWSBEIXWAOFSCH-UHFFFAOYSA-N 0 3 397.483 2.763 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000818599166 660229711 /nfs/dbraw/zinc/22/97/11/660229711.db2.gz COZDDRWXAMXETG-UHFFFAOYSA-N 0 3 380.279 2.567 20 30 GFEDHN COC(=O)[C@@H]1CN(CCO[C@@H](C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000823491997 660373510 /nfs/dbraw/zinc/37/35/10/660373510.db2.gz FDQXEJWBWPZFHO-VBNZEHGJSA-N 0 3 381.270 2.566 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1SCCS1 ZINC000823631317 660377030 /nfs/dbraw/zinc/37/70/30/660377030.db2.gz LEDXEZFGTYBXIK-UHFFFAOYSA-N 0 3 378.567 2.828 20 30 GFEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130493559 654889603 /nfs/dbraw/zinc/88/96/03/654889603.db2.gz WHQSJJFMKBSDEU-UFBFGSQYSA-N 0 3 398.275 2.950 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)c[nH]1 ZINC000065930926 654890740 /nfs/dbraw/zinc/89/07/40/654890740.db2.gz CCIYUILVLAIHFH-UHFFFAOYSA-N 0 3 375.270 2.853 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000177593073 655283150 /nfs/dbraw/zinc/28/31/50/655283150.db2.gz OOOZGYWLYUTSOT-GFCCVEGCSA-N 0 3 387.299 2.695 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000121187870 655348550 /nfs/dbraw/zinc/34/85/50/655348550.db2.gz MQRVRNWWKBUZMC-CQSZACIVSA-N 0 3 399.310 2.793 20 30 GFEDHN CCCOc1c(Br)cc(Br)cc1C=NNC(=N)N ZINC000252448380 655435144 /nfs/dbraw/zinc/43/51/44/655435144.db2.gz WBJJNPQXHBOWSB-UHFFFAOYSA-N 0 3 378.068 2.817 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCC1(C(=O)NCC)CCC1 ZINC000752931745 655848598 /nfs/dbraw/zinc/84/85/98/655848598.db2.gz KKTYQNBNRNQXKN-UHFFFAOYSA-N 0 3 379.298 2.857 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774052154 656486288 /nfs/dbraw/zinc/48/62/88/656486288.db2.gz KVILSLTWIDPTJK-AWEZNQCLSA-N 0 3 377.238 2.813 20 30 GFEDHN C=CCOCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000795458302 658822446 /nfs/dbraw/zinc/82/24/46/658822446.db2.gz XHJRZQJZYNUDOJ-ZDUSSCGKSA-N 0 3 382.254 2.938 20 30 GFEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000802218348 659456484 /nfs/dbraw/zinc/45/64/84/659456484.db2.gz BQWIWUFIFRVSFH-CYBMUJFWSA-N 0 3 377.809 2.877 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2cn(C)nc2Cl)cc1Cl ZINC000815910016 660135424 /nfs/dbraw/zinc/13/54/24/660135424.db2.gz NICWCIFTIUKUQF-NSHDSACASA-N 0 3 381.219 2.626 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000842689961 661349513 /nfs/dbraw/zinc/34/95/13/661349513.db2.gz LVCLXFUIEMMOAZ-BXUZGUMPSA-N 0 3 379.254 2.891 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNC[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000843086005 661367138 /nfs/dbraw/zinc/36/71/38/661367138.db2.gz ZBRFXEIOGDKZKI-SUMWQHHRSA-N 0 3 381.259 2.928 20 30 GFEDHN CC[C@H](C(=O)C(C#N)C(=O)NCCCOC)c1ccc(Br)cc1 ZINC000860462619 662201669 /nfs/dbraw/zinc/20/16/69/662201669.db2.gz WSIUYCQHVKPFHJ-GJZGRUSLSA-N 0 3 381.270 2.804 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737787 662865602 /nfs/dbraw/zinc/86/56/02/662865602.db2.gz VACVBMAZNULKCH-WFASDCNBSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000876890881 662867603 /nfs/dbraw/zinc/86/76/03/662867603.db2.gz LCHXABOYFPDZSB-SQWLQELKSA-N 0 3 375.822 2.825 20 30 GFEDHN C=CCC[C@H](NCCS(=O)(=O)CC(F)(F)F)[C@@H]1Cc2ccccc2O1 ZINC000883234478 663051888 /nfs/dbraw/zinc/05/18/88/663051888.db2.gz GQNOHBBPXGCLQJ-HOCLYGCPSA-N 0 3 377.428 2.892 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3c(Br)ccc(F)c3C1)C2 ZINC000884325819 663068940 /nfs/dbraw/zinc/06/89/40/663068940.db2.gz BNPNQJDOPOUYSQ-BJCXPLBRSA-N 0 3 392.272 2.612 20 30 GFEDHN C=CCC1(O)CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000886776537 663118013 /nfs/dbraw/zinc/11/80/13/663118013.db2.gz JEOYKLKSRSISFN-HNNXBMFYSA-N 0 3 388.277 2.731 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886804127 663119305 /nfs/dbraw/zinc/11/93/05/663119305.db2.gz SIQXFVYXHZEEGA-OAHLLOKOSA-N 0 3 375.778 2.787 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Br)s1 ZINC000902634897 663764895 /nfs/dbraw/zinc/76/48/95/663764895.db2.gz VGZNHXKMKRWMEU-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CSc1ccc(CNC[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000905465455 663872578 /nfs/dbraw/zinc/87/25/78/663872578.db2.gz QGFFZCJHYTYKIX-QGZVFWFLSA-N 0 3 376.503 2.507 20 30 GFEDHN CSc1ccc(CNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000905465454 663872608 /nfs/dbraw/zinc/87/26/08/663872608.db2.gz QGFFZCJHYTYKIX-KRWDZBQOSA-N 0 3 376.503 2.507 20 30 GFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907186934 664010237 /nfs/dbraw/zinc/01/02/37/664010237.db2.gz OIEYFFBWGNNMTO-TZMCWYRMSA-N 0 3 398.326 2.568 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(OC)c(Br)c1)C1CCN(C)CC1 ZINC000916086138 664449131 /nfs/dbraw/zinc/44/91/31/664449131.db2.gz WRJARBCUMLABEF-UHFFFAOYSA-N 0 3 394.313 2.697 20 30 GFEDHN C#CCN(C(=O)NCCc1cccc(Br)c1)C1CCN(C)CC1 ZINC000922823137 664615662 /nfs/dbraw/zinc/61/56/62/664615662.db2.gz PMKATUKXYOZFEK-UHFFFAOYSA-N 0 3 378.314 2.731 20 30 GFEDHN CCOCC[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941161 664843447 /nfs/dbraw/zinc/84/34/47/664843447.db2.gz ATLSQSVTMMLTIL-LPEHRKFASA-N 0 3 385.295 2.877 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 ZINC000041518875 551135785 /nfs/dbraw/zinc/13/57/85/551135785.db2.gz NLUWHDKKBDZNJO-BXUZGUMPSA-N 0 3 375.475 2.652 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000171728150 551661897 /nfs/dbraw/zinc/66/18/97/551661897.db2.gz SSLMRLIGKSDRST-UHFFFAOYSA-N 0 3 381.270 2.948 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000171722924 551662023 /nfs/dbraw/zinc/66/20/23/551662023.db2.gz ZCSATNWNZCYZFJ-UHFFFAOYSA-N 0 3 383.286 2.847 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1 ZINC000188089745 552434490 /nfs/dbraw/zinc/43/44/90/552434490.db2.gz AKVDZEXYHXGHGU-UHFFFAOYSA-N 0 3 394.313 2.853 20 30 GFEDHN CC(C)OCCN1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295041078 563226536 /nfs/dbraw/zinc/22/65/36/563226536.db2.gz FZVYBBSYEZQFQI-UHFFFAOYSA-N 0 3 394.313 2.940 20 30 GFEDHN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](N)CCCC#N ZINC000424128781 563371741 /nfs/dbraw/zinc/37/17/41/563371741.db2.gz CFTIBHQRVAUOJA-LSDHHAIUSA-N 0 3 386.279 2.605 20 30 GFEDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)N(C)C2CC2)s1 ZINC000328830380 563466336 /nfs/dbraw/zinc/46/63/36/563466336.db2.gz JWCHVVMHKQFZPB-IUODEOHRSA-N 0 3 385.555 2.649 20 30 GFEDHN CN1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377389580 563473144 /nfs/dbraw/zinc/47/31/44/563473144.db2.gz NCTXWMBTYCOBIW-FUHWJXTLSA-N 0 3 375.519 2.732 20 30 GFEDHN C[C@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000377978609 563492686 /nfs/dbraw/zinc/49/26/86/563492686.db2.gz TWLIDXLVHSYCHY-YOEHRIQHSA-N 0 3 377.330 2.783 20 30 GFEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc(Br)cc1F ZINC000330099777 563495234 /nfs/dbraw/zinc/49/52/34/563495234.db2.gz DKVZHJZOBGDNAI-GFCCVEGCSA-N 0 3 399.220 2.643 20 30 GFEDHN N#Cc1c(Br)cccc1NCC(=O)NCCN1CCCCCC1 ZINC000431507030 563561191 /nfs/dbraw/zinc/56/11/91/563561191.db2.gz KMIZAGKCQMLKPE-UHFFFAOYSA-N 0 3 379.302 2.725 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000409559198 563565017 /nfs/dbraw/zinc/56/50/17/563565017.db2.gz YEAHNJUJYIJMPA-INIZCTEOSA-N 0 3 386.587 2.618 20 30 GFEDHN C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CN1CCCC1 ZINC000409589622 563566425 /nfs/dbraw/zinc/56/64/25/563566425.db2.gz URXYECSIHNUMLW-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H]2CCCC(=O)N2)cc1OC ZINC000433190710 563605776 /nfs/dbraw/zinc/60/57/76/563605776.db2.gz WMXWCUNNSIXRRE-CYBMUJFWSA-N 0 3 383.286 2.781 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000289599735 563680254 /nfs/dbraw/zinc/68/02/54/563680254.db2.gz KTUHRHJGWGZTGQ-ZDUSSCGKSA-N 0 3 381.929 2.683 20 30 GFEDHN CN(C)CCOC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448968815 563904117 /nfs/dbraw/zinc/90/41/17/563904117.db2.gz HTNUUFUAKBMRIW-UHFFFAOYSA-N 0 3 380.286 2.504 20 30 GFEDHN Cn1cc(CNC[C@@H](CO)Cc2cc(Br)ccc2F)cc1C#N ZINC000449599987 564191212 /nfs/dbraw/zinc/19/12/12/564191212.db2.gz MXVVQKSWTKPTLR-ZDUSSCGKSA-N 0 3 380.261 2.739 20 30 GFEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097407 564216288 /nfs/dbraw/zinc/21/62/88/564216288.db2.gz OMEKDJVATZBLOW-WBMJQRKESA-N 0 3 380.286 2.544 20 30 GFEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCCCN2C2CC2)cc1Br ZINC000451199997 564286431 /nfs/dbraw/zinc/28/64/31/564286431.db2.gz FZHXBAQAZBHAJT-OAHLLOKOSA-N 0 3 392.297 2.833 20 30 GFEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CCCCN2C2CC2)cc1Br ZINC000451199991 564286597 /nfs/dbraw/zinc/28/65/97/564286597.db2.gz FZHXBAQAZBHAJT-HNNXBMFYSA-N 0 3 392.297 2.833 20 30 GFEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000451654293 564335930 /nfs/dbraw/zinc/33/59/30/564335930.db2.gz USAQFJTXNTWFLR-GJZGRUSLSA-N 0 3 392.297 2.646 20 30 GFEDHN CC[C@H](Cc1ccc(Cl)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000569568212 564469913 /nfs/dbraw/zinc/46/99/13/564469913.db2.gz HZLARDLRUSTRNI-QGZVFWFLSA-N 0 3 377.897 2.991 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000517309217 564531219 /nfs/dbraw/zinc/53/12/19/564531219.db2.gz CZBNWUQOJBTIHE-LBPRGKRZSA-N 0 3 384.307 2.878 20 30 GFEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)CC(F)(F)F ZINC000470024039 565035679 /nfs/dbraw/zinc/03/56/79/565035679.db2.gz HSNUHMLFEBYTHT-ZDUSSCGKSA-N 0 3 378.464 2.898 20 30 GFEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101664 565314007 /nfs/dbraw/zinc/31/40/07/565314007.db2.gz QYWAKGLJYVCSSU-PBHICJAKSA-N 0 3 376.298 2.806 20 30 GFEDHN CCC(C#N)C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000593497302 565336899 /nfs/dbraw/zinc/33/68/99/565336899.db2.gz UPDWKKMNMQCPQV-MEBBXXQBSA-N 0 3 392.253 2.680 20 30 GFEDHN CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccsc1C#N)C1CC1 ZINC000593578714 565344111 /nfs/dbraw/zinc/34/41/11/565344111.db2.gz NLEAMCYERZOJQR-MRXNPFEDSA-N 0 3 375.519 2.809 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000594428875 565383884 /nfs/dbraw/zinc/38/38/84/565383884.db2.gz PRMMYVMAJQFWEZ-INIZCTEOSA-N 0 3 394.313 2.982 20 30 GFEDHN CN1CCC[C@@H](N2CCN(c3cc(Br)c(C#N)cc3F)CC2)C1 ZINC000594556846 565399476 /nfs/dbraw/zinc/39/94/76/565399476.db2.gz TVUSHBLLRRLUPX-CQSZACIVSA-N 0 3 381.293 2.676 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000594748754 565414598 /nfs/dbraw/zinc/41/45/98/565414598.db2.gz OCFGUYPDJHLULQ-HZPDHXFCSA-N 0 3 375.519 2.987 20 30 GFEDHN CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000595383050 565471156 /nfs/dbraw/zinc/47/11/56/565471156.db2.gz YNNWQFRUGWCZIZ-UHFFFAOYSA-N 0 3 377.432 2.976 20 30 GFEDHN N#CC1(C[C@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599341129 565670964 /nfs/dbraw/zinc/67/09/64/565670964.db2.gz HDVGUBVTOCZFEF-HNNXBMFYSA-N 0 3 387.307 2.859 20 30 GFEDHN CN1CCCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000599414738 565677009 /nfs/dbraw/zinc/67/70/09/565677009.db2.gz HOFMKXFZXOYGOS-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000602580769 565856579 /nfs/dbraw/zinc/85/65/79/565856579.db2.gz GHMUJCLIXNZBRX-HNNXBMFYSA-N 0 3 392.297 2.865 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@@H](C)CCN2)nc1C ZINC000817910635 660211864 /nfs/dbraw/zinc/21/18/64/660211864.db2.gz CELKCMCVNFVTPZ-ONGXEEELSA-N 0 3 378.527 2.511 20 30 GFEDHN C#C[C@@H](NC(=O)NC1CCN(CCOC)CC1)c1ccc(Br)cc1 ZINC000836346455 660901029 /nfs/dbraw/zinc/90/10/29/660901029.db2.gz RGOHAJFJZNWJDI-QGZVFWFLSA-N 0 3 394.313 2.533 20 30 GFEDHN N#CC(C(=O)CCCOc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000124689913 654780462 /nfs/dbraw/zinc/78/04/62/654780462.db2.gz QLSWZQGTRACWIH-OAHLLOKOSA-N 0 3 379.254 2.939 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000730685407 655577384 /nfs/dbraw/zinc/57/73/84/655577384.db2.gz FLRZEDPTUOTFLS-LBPRGKRZSA-N 0 3 379.869 2.744 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786930980 657491166 /nfs/dbraw/zinc/49/11/66/657491166.db2.gz SHQUBLJOHWIUBV-FOGDFJRCSA-N 0 3 382.247 2.932 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000815861732 660133126 /nfs/dbraw/zinc/13/31/26/660133126.db2.gz XEGXWVCKJJUARJ-UHFFFAOYSA-N 0 3 376.671 2.657 20 30 GFEDHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884094045 663064937 /nfs/dbraw/zinc/06/49/37/663064937.db2.gz ZPIUOFRSIKJGAX-ZEJWKSJJSA-N 0 3 376.298 2.636 20 30 GFEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc(OC)c1Br ZINC000884322553 663068906 /nfs/dbraw/zinc/06/89/06/663068906.db2.gz PTPAZGQXHNHZGK-GCULGPDHSA-N 0 3 394.269 2.544 20 30 GFEDHN C=CCC1(O)CCN(Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000884479968 663071288 /nfs/dbraw/zinc/07/12/88/663071288.db2.gz YNVCVFVKDLETGG-UHFFFAOYSA-N 0 3 378.270 2.520 20 30 GFEDHN CC(C)N(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286505 663088483 /nfs/dbraw/zinc/08/84/83/663088483.db2.gz FTHKMUAUFWFHSC-IUCAKERBSA-N 0 3 382.295 2.956 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)c2nccnc2c1)C1CCN(C)CC1 ZINC000886570925 663113984 /nfs/dbraw/zinc/11/39/84/663113984.db2.gz CLTGECWLZQIKOB-UHFFFAOYSA-N 0 3 387.281 2.562 20 30 GFEDHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425887 663197006 /nfs/dbraw/zinc/19/70/06/663197006.db2.gz DIZOMCKMMCDOGS-NSHDSACASA-N 0 3 383.905 2.775 20 30 GFEDHN CCOC(=O)[C@@]1(CNCc2cc(C#N)ccc2Br)CCCOC1 ZINC000895777652 663527258 /nfs/dbraw/zinc/52/72/58/663527258.db2.gz SXDPGRGOYVTKSB-QGZVFWFLSA-N 0 3 381.270 2.770 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000916917738 664474253 /nfs/dbraw/zinc/47/42/53/664474253.db2.gz MXUMJKBRANPFSB-HNNXBMFYSA-N 0 3 376.503 2.945 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(Br)cc1F)C1CCN(C)CC1 ZINC000917979958 664493910 /nfs/dbraw/zinc/49/39/10/664493910.db2.gz JLMNHXLLRVSRTJ-UHFFFAOYSA-N 0 3 382.277 2.827 20 30 GFEDHN C#CCN(C(=O)NCCc1ccc(Br)cc1)C1CCN(C)CC1 ZINC000919193822 664509472 /nfs/dbraw/zinc/50/94/72/664509472.db2.gz WTPBGVYYFNSHLC-UHFFFAOYSA-N 0 3 378.314 2.731 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@]2(N3CCOCC3)CCSC2)c1 ZINC000921581982 664555273 /nfs/dbraw/zinc/55/52/73/664555273.db2.gz HIRIVJWHDWQQKU-QGZVFWFLSA-N 0 3 396.354 2.618 20 30 GFEDHN CCN(C)C(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941296 664843482 /nfs/dbraw/zinc/84/34/82/664843482.db2.gz LZCQJAGNGXNHHP-RKDXNWHRSA-N 0 3 382.295 2.958 20 30 GFEDHN C=CCN1CCC(NC(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000932945628 664844226 /nfs/dbraw/zinc/84/42/26/664844226.db2.gz HEMFMVQWVHAEQJ-UHFFFAOYSA-N 0 3 383.290 2.933 20 30 GFEDHN N#Cc1c[nH]c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164978454 722124362 /nfs/dbraw/zinc/12/43/62/722124362.db2.gz OQRDYBJUPPSGDE-PXNSSMCTSA-N 0 3 388.475 2.557 20 30 GFEDHN N#Cc1cc(NCc2ccc(CN3CC[C@H](O)C3)cc2)ncc1Br ZINC000603407182 532694257 /nfs/dbraw/zinc/69/42/57/532694257.db2.gz BEWUFJCDKZYQCJ-INIZCTEOSA-N 0 3 387.281 2.894 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000129706890 551358771 /nfs/dbraw/zinc/35/87/71/551358771.db2.gz SRPOOIIFXMFFPK-UHFFFAOYSA-N 0 3 398.288 2.990 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(Cl)c1 ZINC000180185589 552216963 /nfs/dbraw/zinc/21/69/63/552216963.db2.gz MABKRHTZRJWVEY-RHSMWYFYSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCNCCOC ZINC000418510794 563218843 /nfs/dbraw/zinc/21/88/43/563218843.db2.gz QESDJPMKFNPPFQ-UHFFFAOYSA-N 0 3 388.281 2.522 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000331465966 563550332 /nfs/dbraw/zinc/55/03/32/563550332.db2.gz QUUBAFPSNASKCO-ZDUSSCGKSA-N 0 3 398.326 2.570 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)Cc2ccc(Cl)s2)CC1 ZINC000286492178 563562082 /nfs/dbraw/zinc/56/20/82/563562082.db2.gz JVYLGNMJSGOZAA-UHFFFAOYSA-N 0 3 383.945 2.907 20 30 GFEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292594 563608385 /nfs/dbraw/zinc/60/83/85/563608385.db2.gz XZXQKGNOKOIXDX-DZGCQCFKSA-N 0 3 394.313 2.714 20 30 GFEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000333203105 563624243 /nfs/dbraw/zinc/62/42/43/563624243.db2.gz ZYQWDTFIOJJFCK-CYBMUJFWSA-N 0 3 396.563 2.527 20 30 GFEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568365 563635987 /nfs/dbraw/zinc/63/59/87/563635987.db2.gz PHWLDDLALUHXQE-XJKSGUPXSA-N 0 3 392.297 2.642 20 30 GFEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000365712168 563791657 /nfs/dbraw/zinc/79/16/57/563791657.db2.gz LGPNLERXXNFZHL-MRXNPFEDSA-N 0 3 377.853 2.819 20 30 GFEDHN C#CCOCCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000368200183 563866377 /nfs/dbraw/zinc/86/63/77/563866377.db2.gz BSFGZTYKONIZDK-UHFFFAOYSA-N 0 3 393.325 2.912 20 30 GFEDHN COc1ccc(Br)cc1C[C@@H](CO)CNCc1ccc(C#N)o1 ZINC000449686563 564196868 /nfs/dbraw/zinc/19/68/68/564196868.db2.gz ZCKIBTBWHJSWQQ-GFCCVEGCSA-N 0 3 379.254 2.863 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000450411746 564231807 /nfs/dbraw/zinc/23/18/07/564231807.db2.gz OTKZZILZFWBFBO-DLBZAZTESA-N 0 3 387.281 2.763 20 30 GFEDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000566593052 564333700 /nfs/dbraw/zinc/33/37/00/564333700.db2.gz VDHAPNXIVVZTSW-LSDHHAIUSA-N 0 3 375.416 2.527 20 30 GFEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000516217353 564497325 /nfs/dbraw/zinc/49/73/25/564497325.db2.gz GKLSZZBHHGTFAE-LBPRGKRZSA-N 0 3 388.331 2.719 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000483562447 564570376 /nfs/dbraw/zinc/57/03/76/564570376.db2.gz NIWVCAHWYCEXNY-LLVKDONJSA-N 0 3 378.841 2.742 20 30 GFEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487960370 564699653 /nfs/dbraw/zinc/69/96/53/564699653.db2.gz TWXDYMVQIRFZGB-OAHLLOKOSA-N 0 3 395.301 2.895 20 30 GFEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCN2C2CCCC2)cc1Br ZINC000530024016 564860246 /nfs/dbraw/zinc/86/02/46/564860246.db2.gz ZTZHRLWFUFTAAI-OAHLLOKOSA-N 0 3 392.297 2.833 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000559759258 564940021 /nfs/dbraw/zinc/94/00/21/564940021.db2.gz OYBJMXKQJFPAJS-AWEZNQCLSA-N 0 3 383.945 2.764 20 30 GFEDHN C=CCCN(C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000467288867 564960364 /nfs/dbraw/zinc/96/03/64/564960364.db2.gz KXTGKTZFMFYEMQ-UHFFFAOYSA-N 0 3 386.359 2.663 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000563139431 565056885 /nfs/dbraw/zinc/05/68/85/565056885.db2.gz GQMNXWWLGYXDHE-CQSZACIVSA-N 0 3 381.929 2.613 20 30 GFEDHN COc1cc(Br)ccc1CCCNC(=O)[C@H](N)CCCCC#N ZINC000594447517 565386541 /nfs/dbraw/zinc/38/65/41/565386541.db2.gz YBGLTBKAAQNPAG-OAHLLOKOSA-N 0 3 382.302 2.918 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594505587 565397297 /nfs/dbraw/zinc/39/72/97/565397297.db2.gz VHBPLVLDTCGTPZ-UHFFFAOYSA-N 0 3 377.535 2.926 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595962773 565502495 /nfs/dbraw/zinc/50/24/95/565502495.db2.gz FJXCXOWFVGRNLR-CQSZACIVSA-N 0 3 375.270 2.836 20 30 GFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000597860062 565578505 /nfs/dbraw/zinc/57/85/05/565578505.db2.gz KXFPEUIBNZQKMX-LBPRGKRZSA-N 0 3 380.286 2.689 20 30 GFEDHN C[C@](CO)(NC[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000599435521 565680114 /nfs/dbraw/zinc/68/01/14/565680114.db2.gz XDIAIBJGZPKSKN-IAGOWNOFSA-N 0 3 387.307 2.862 20 30 GFEDHN CCn1c(CNC[C@@H](O)CC2(C#N)CC2)nc2cc(Br)ccc21 ZINC000600733448 565746865 /nfs/dbraw/zinc/74/68/65/565746865.db2.gz JMZADSNHTSTHHV-ZDUSSCGKSA-N 0 3 377.286 2.963 20 30 GFEDHN CCn1c(CNC[C@H](O)CC2(C#N)CC2)nc2cc(Br)ccc21 ZINC000600733430 565747164 /nfs/dbraw/zinc/74/71/64/565747164.db2.gz JMZADSNHTSTHHV-CYBMUJFWSA-N 0 3 377.286 2.963 20 30 GFEDHN CCOCCOc1ccc(Br)cc1CNC1CCN(CC#N)CC1 ZINC000609334930 566035907 /nfs/dbraw/zinc/03/59/07/566035907.db2.gz LHNDBEQLEHZAJM-UHFFFAOYSA-N 0 3 396.329 2.942 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819723042 599541009 /nfs/dbraw/zinc/54/10/09/599541009.db2.gz VPEVXKOYXXJECU-UHFFFAOYSA-N 0 3 394.439 2.776 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819723042 599541010 /nfs/dbraw/zinc/54/10/10/599541010.db2.gz VPEVXKOYXXJECU-UHFFFAOYSA-N 0 3 394.439 2.776 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739783 599668688 /nfs/dbraw/zinc/66/86/88/599668688.db2.gz HJUIBZZRSZWSQU-QFBILLFUSA-N 0 3 397.527 2.926 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)nc1 ZINC000826386137 608570749 /nfs/dbraw/zinc/57/07/49/608570749.db2.gz QJJQYVKVMBTTFB-UHFFFAOYSA-N 0 3 393.426 2.752 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3F)CC2)nc1 ZINC000826386137 608570750 /nfs/dbraw/zinc/57/07/50/608570750.db2.gz QJJQYVKVMBTTFB-UHFFFAOYSA-N 0 3 393.426 2.752 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(I)c(C)cc1C ZINC000818589327 660229030 /nfs/dbraw/zinc/22/90/30/660229030.db2.gz WQSZNUOKXVLDML-UHFFFAOYSA-N 0 3 384.261 2.593 20 30 GFEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835056511 660839696 /nfs/dbraw/zinc/83/96/96/660839696.db2.gz GYUHBEQFKNOQKN-NSHDSACASA-N 0 3 387.299 2.693 20 30 GFEDHN Cc1cc(C)cc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130674117 654891175 /nfs/dbraw/zinc/89/11/75/654891175.db2.gz MYLABZLBKBDUPM-UHFFFAOYSA-N 0 3 386.930 2.723 20 30 GFEDHN COc1ccc(CNC[C@@H](O)COc2ccccc2Br)cc1C#N ZINC000131014587 654895748 /nfs/dbraw/zinc/89/57/48/654895748.db2.gz OPAAWSOZDFICHW-OAHLLOKOSA-N 0 3 391.265 2.859 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000067231971 654934236 /nfs/dbraw/zinc/93/42/36/654934236.db2.gz IQIBQDNFLFZDHW-UHFFFAOYSA-N 0 3 381.270 2.750 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173933346 655186462 /nfs/dbraw/zinc/18/64/62/655186462.db2.gz RRGLYNSSPSHWSD-QWRGUYRKSA-N 0 3 387.299 2.866 20 30 GFEDHN C=CCN1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000177551543 655281154 /nfs/dbraw/zinc/28/11/54/655281154.db2.gz QDOQQZPVMTZTMC-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN N#Cc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000596906997 655516991 /nfs/dbraw/zinc/51/69/91/655516991.db2.gz JPXOKKYVCSTNBM-OAHLLOKOSA-N 0 3 393.285 2.696 20 30 GFEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)[S@]1=O ZINC000796378308 658915020 /nfs/dbraw/zinc/91/50/20/658915020.db2.gz OVCQAKTUPDBCLC-WMJUZZJDSA-N 0 3 375.519 2.704 20 30 GFEDHN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842685009 661349011 /nfs/dbraw/zinc/34/90/11/661349011.db2.gz OPWDPZWWFVGBGG-HZMBPMFUSA-N 0 3 377.238 2.645 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872060791 662754978 /nfs/dbraw/zinc/75/49/78/662754978.db2.gz UDXVJEFYPSRSQS-GDBMZVCRSA-N 0 3 388.327 2.717 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000876580595 662863089 /nfs/dbraw/zinc/86/30/89/662863089.db2.gz OLBFPINZILXOCS-CQSZACIVSA-N 0 3 390.698 2.748 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Br)cc1 ZINC000884092523 663065014 /nfs/dbraw/zinc/06/50/14/663065014.db2.gz HROKPXWHLOWXSV-SHBDPFAUSA-N 0 3 390.325 2.982 20 30 GFEDHN CCOc1ccc(Br)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884099230 663065070 /nfs/dbraw/zinc/06/50/70/663065070.db2.gz IHCQDBIOZMNYHP-JKGQDXBKSA-N 0 3 378.270 2.926 20 30 GFEDHN C#CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886574560 663114154 /nfs/dbraw/zinc/11/41/54/663114154.db2.gz KQQUTIHFWZEWKK-MRXNPFEDSA-N 0 3 391.309 2.871 20 30 GFEDHN C#CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCN(C)CC1 ZINC000886579930 663114276 /nfs/dbraw/zinc/11/42/76/663114276.db2.gz NUGULNQQLPKPLZ-UHFFFAOYSA-N 0 3 398.232 2.666 20 30 GFEDHN C#C[C@H](N[C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894669125 663475552 /nfs/dbraw/zinc/47/55/52/663475552.db2.gz QKSPWKBSZLOWRV-DYVFJYSZSA-N 0 3 399.354 2.773 20 30 GFEDHN O[C@H](CNC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000905447531 663872005 /nfs/dbraw/zinc/87/20/05/663872005.db2.gz SCLAMHXLINCRLK-ZJUUUORDSA-N 0 3 383.235 2.767 20 30 GFEDHN C#CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000906452640 663949125 /nfs/dbraw/zinc/94/91/25/663949125.db2.gz XCYKACRHMDQDAX-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCC2 ZINC001164909216 721553671 /nfs/dbraw/zinc/55/36/71/721553671.db2.gz SZXWWLIBRSCZLU-ICSRJNTNSA-N 0 3 378.451 2.923 20 30 GFEDHN N#Cc1cc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc2[nH]1 ZINC001164984596 722137908 /nfs/dbraw/zinc/13/79/08/722137908.db2.gz XMWZYFJOQQWMHB-LAUBAEHRSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCN(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000121583516 551237868 /nfs/dbraw/zinc/23/78/68/551237868.db2.gz UUDBHRDTVACWAE-UHFFFAOYSA-N 0 3 385.917 2.571 20 30 GFEDHN O=C(NCCN[C@@H]1CCc2c1cccc2Br)C1N=CC=CC1=O ZINC000180177426 552216123 /nfs/dbraw/zinc/21/61/23/552216123.db2.gz JYWSOQAGKGGKSQ-UPTRSRDDSA-N 0 3 376.254 2.552 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 ZINC000192054470 552548217 /nfs/dbraw/zinc/54/82/17/552548217.db2.gz IEZDRWOERNCFPM-UHFFFAOYSA-N 0 3 386.279 2.707 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194271632 553016580 /nfs/dbraw/zinc/01/65/80/553016580.db2.gz OLRDJOAMODWUMC-QGZVFWFLSA-N 0 3 379.298 2.909 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246579457 553110199 /nfs/dbraw/zinc/11/01/99/553110199.db2.gz SCMWTFOOFOBMBV-KBXCAEBGSA-N 0 3 379.913 2.849 20 30 GFEDHN C=C(C)COCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449195808 563907811 /nfs/dbraw/zinc/90/78/11/563907811.db2.gz ZPUJKDBRFKMBTH-ZDUSSCGKSA-N 0 3 385.302 2.645 20 30 GFEDHN C[C@H]1CN(CCCNC(=O)c2ccc(Br)cc2C#N)CCCO1 ZINC000295235135 563237748 /nfs/dbraw/zinc/23/77/48/563237748.db2.gz ZOYBANJSFDPKFC-ZDUSSCGKSA-N 0 3 380.286 2.551 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Br)ccc1Br ZINC000424171351 563372352 /nfs/dbraw/zinc/37/23/52/563372352.db2.gz JFAGTMVNGCZFDG-LBPRGKRZSA-N 0 3 389.091 2.849 20 30 GFEDHN C=C[C@](C)(O)CC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425097822 563404751 /nfs/dbraw/zinc/40/47/51/563404751.db2.gz JBQUHKBBCVXGPW-KRWDZBQOSA-N 0 3 384.318 2.713 20 30 GFEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000328936133 563469019 /nfs/dbraw/zinc/46/90/19/563469019.db2.gz COKRGJSLPBLNTL-HUUCEWRRSA-N 0 3 385.555 2.732 20 30 GFEDHN CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000329301155 563478329 /nfs/dbraw/zinc/47/83/29/563478329.db2.gz VRNRVBUQNZEUTG-UHFFFAOYSA-N 0 3 386.543 2.826 20 30 GFEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007812 563541029 /nfs/dbraw/zinc/54/10/29/563541029.db2.gz JLKMGXVNAKLVLH-OLZOCXBDSA-N 0 3 398.326 2.568 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000287044082 563584799 /nfs/dbraw/zinc/58/47/99/563584799.db2.gz GJLIDUWBGQPCRX-NSHDSACASA-N 0 3 398.282 2.889 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(C)C ZINC000443089745 563791120 /nfs/dbraw/zinc/79/11/20/563791120.db2.gz ATVOHGOVPJLGNI-UHFFFAOYSA-N 0 3 377.432 2.974 20 30 GFEDHN CC(C)(C)c1nc(CCNCCS(=O)(=O)c2cccc(C#N)c2)cs1 ZINC000564849399 564252692 /nfs/dbraw/zinc/25/26/92/564252692.db2.gz MBBFVBJRXNATEN-UHFFFAOYSA-N 0 3 377.535 2.918 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508827672 564274332 /nfs/dbraw/zinc/27/43/32/564274332.db2.gz MXRFILSZWQUEGG-OAHLLOKOSA-N 0 3 393.333 2.998 20 30 GFEDHN C=CCNc1ncc(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)s1 ZINC000452162742 564397178 /nfs/dbraw/zinc/39/71/78/564397178.db2.gz IRKCJNBSMOEGAC-OAHLLOKOSA-N 0 3 376.551 2.918 20 30 GFEDHN COCCCN(C(=O)c1cccc(C#N)c1Br)C1CCN(C)CC1 ZINC000452160413 564397271 /nfs/dbraw/zinc/39/72/71/564397271.db2.gz UXDILCPFRYJGDG-UHFFFAOYSA-N 0 3 394.313 2.894 20 30 GFEDHN CN(C)C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000573256532 564630495 /nfs/dbraw/zinc/63/04/95/564630495.db2.gz RFTVVDPKMIMWFB-INIZCTEOSA-N 0 3 377.897 2.835 20 30 GFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1n[nH]cc1Br)C(C)C ZINC000524140263 564676907 /nfs/dbraw/zinc/67/69/07/564676907.db2.gz SXBIMMUSZQAPDS-OAHLLOKOSA-N 0 3 384.322 2.670 20 30 GFEDHN CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487901141 564698977 /nfs/dbraw/zinc/69/89/77/564698977.db2.gz UYTKFVBXESZPMK-HNNXBMFYSA-N 0 3 395.301 2.535 20 30 GFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000657835272 565132137 /nfs/dbraw/zinc/13/21/37/565132137.db2.gz PDQIYEIBYWSJOO-RDJZCZTQSA-N 0 3 384.567 2.994 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(C#N)n1 ZINC000589453308 565164099 /nfs/dbraw/zinc/16/40/99/565164099.db2.gz SEMUTYYIDCPTDN-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CCCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCN(C)C1 ZINC000592829688 565299152 /nfs/dbraw/zinc/29/91/52/565299152.db2.gz VLPNHTHHJSSTNP-ZDUSSCGKSA-N 0 3 380.286 2.642 20 30 GFEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1Br ZINC000594198936 565378791 /nfs/dbraw/zinc/37/87/91/565378791.db2.gz VVPZMAPWDNZMOG-DLBZAZTESA-N 0 3 392.297 2.833 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594439820 565385274 /nfs/dbraw/zinc/38/52/74/565385274.db2.gz VNXRABDITLECQO-GFCCVEGCSA-N 0 3 378.782 2.660 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cc2Br)OCO3)CC1 ZINC000621858828 565446311 /nfs/dbraw/zinc/44/63/11/565446311.db2.gz GTWRRNWARSTBJY-UHFFFAOYSA-N 0 3 381.270 2.948 20 30 GFEDHN N#CC(C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1nc2cc(F)ccc2s1 ZINC000737672753 598925142 /nfs/dbraw/zinc/92/51/42/598925142.db2.gz KFXKICDXGAUGRY-LBPRGKRZSA-N 0 3 379.380 2.861 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000819739959 607280989 /nfs/dbraw/zinc/28/09/89/607280989.db2.gz LOQHWVRGQPJJBY-SFHVURJKSA-N 0 3 383.500 2.995 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000735398542 598369626 /nfs/dbraw/zinc/36/96/26/598369626.db2.gz IRTFZRKBEYBNHZ-UHFFFAOYSA-N 0 3 386.504 2.585 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000735398542 598369628 /nfs/dbraw/zinc/36/96/28/598369628.db2.gz IRTFZRKBEYBNHZ-UHFFFAOYSA-N 0 3 386.504 2.585 20 30 GFEDHN C=CC[N@H+](CCC(=O)NCC1CCCCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419265 598557832 /nfs/dbraw/zinc/55/78/32/598557832.db2.gz REKGYEYUUXKDCL-UHFFFAOYSA-N 0 3 382.512 2.941 20 30 GFEDHN C=CC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419265 598557833 /nfs/dbraw/zinc/55/78/33/598557833.db2.gz REKGYEYUUXKDCL-UHFFFAOYSA-N 0 3 382.512 2.941 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825756204 660440537 /nfs/dbraw/zinc/44/05/37/660440537.db2.gz LRJURLNOALLPLF-UHFFFAOYSA-N 0 3 383.246 2.523 20 30 GFEDHN COc1ccc(CNC[C@H](O)COc2ccccc2Br)cc1C#N ZINC000131014377 654895817 /nfs/dbraw/zinc/89/58/17/654895817.db2.gz OPAAWSOZDFICHW-HNNXBMFYSA-N 0 3 391.265 2.859 20 30 GFEDHN COc1ccc(CCNCCS(=O)(=O)c2cccc(C#N)c2)c(Cl)c1 ZINC000578981543 655490734 /nfs/dbraw/zinc/49/07/34/655490734.db2.gz NUYZZONAWBKKHK-UHFFFAOYSA-N 0 3 378.881 2.826 20 30 GFEDHN C#CC[C@@H](CO)NCc1cc(Br)c(OC)c(Br)c1 ZINC000717823127 655523770 /nfs/dbraw/zinc/52/37/70/655523770.db2.gz OFWUYVHDMCMBMN-JTQLQIEISA-N 0 3 377.076 2.694 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000781450190 657057662 /nfs/dbraw/zinc/05/76/62/657057662.db2.gz COQKEUADKLMCER-CYBMUJFWSA-N 0 3 396.204 2.748 20 30 GFEDHN C[C@H](NC(=O)C(C#N)C(=O)CCn1ccnn1)c1ccc(Cl)cc1Cl ZINC000802218516 659456397 /nfs/dbraw/zinc/45/63/97/659456397.db2.gz DNLKXCXJLRAJEY-GXFFZTMASA-N 0 3 380.235 2.561 20 30 GFEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000815082261 660110321 /nfs/dbraw/zinc/11/03/21/660110321.db2.gz HWRUADYLGHVENL-UHFFFAOYSA-N 0 3 395.322 2.836 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000842290388 661331791 /nfs/dbraw/zinc/33/17/91/661331791.db2.gz XPAAZEZEJJHKIF-CYBMUJFWSA-N 0 3 381.523 2.500 20 30 GFEDHN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842685010 661348993 /nfs/dbraw/zinc/34/89/93/661348993.db2.gz OPWDPZWWFVGBGG-IINYFYTJSA-N 0 3 377.238 2.645 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876577274 662863066 /nfs/dbraw/zinc/86/30/66/662863066.db2.gz UKUWYXCVXKPNQO-CQSZACIVSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000876607193 662863415 /nfs/dbraw/zinc/86/34/15/662863415.db2.gz QTGCKTJAECSLKV-SKDRFNHKSA-N 0 3 389.677 2.867 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876719142 662865423 /nfs/dbraw/zinc/86/54/23/662865423.db2.gz DMVFQMPFADOYDJ-CYBMUJFWSA-N 0 3 377.794 2.950 20 30 GFEDHN N#Cc1cccc(Br)c1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882811618 663042780 /nfs/dbraw/zinc/04/27/80/663042780.db2.gz BCZVWCDNYRPNMG-UHFFFAOYSA-N 0 3 391.313 2.631 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1cccc(Br)c1 ZINC000884118386 663065543 /nfs/dbraw/zinc/06/55/43/663065543.db2.gz FJVHTNIQHMKTCR-BTUGKURYSA-N 0 3 390.325 2.982 20 30 GFEDHN COc1cc(Br)cc(C[NH2+]CCNc2ccc(C#N)cn2)c1[O-] ZINC000897398389 663604324 /nfs/dbraw/zinc/60/43/24/663604324.db2.gz COZCXCOVPODWIN-UHFFFAOYSA-N 0 3 377.242 2.632 20 30 GFEDHN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866305 721050698 /nfs/dbraw/zinc/05/06/98/721050698.db2.gz DVHZAZQKHGBFFF-DLBZAZTESA-N 0 3 383.883 2.790 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCC2 ZINC001164909215 721553812 /nfs/dbraw/zinc/55/38/12/721553812.db2.gz SZXWWLIBRSCZLU-AZUAARDMSA-N 0 3 378.451 2.923 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(CCc2ccccc2)n1 ZINC000176966227 552148309 /nfs/dbraw/zinc/14/83/09/552148309.db2.gz JTVIIEFAAPRRLR-CQSZACIVSA-N 0 3 378.519 2.534 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@]2(C)CCCCN2)nc1C ZINC000237670430 553080716 /nfs/dbraw/zinc/08/07/16/553080716.db2.gz QDKWAYDBJBKTMG-MRXNPFEDSA-N 0 3 378.527 2.655 20 30 GFEDHN C#CCCN1CCC(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000372291627 563301125 /nfs/dbraw/zinc/30/11/25/563301125.db2.gz NWMYXPCDJRDWPX-INIZCTEOSA-N 0 3 377.282 2.529 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(OC)ccc2I)CC1 ZINC000299493359 563384237 /nfs/dbraw/zinc/38/42/37/563384237.db2.gz JHZFWZWQCHQBPC-UHFFFAOYSA-N 0 3 398.244 2.584 20 30 GFEDHN CN1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000377389579 563473298 /nfs/dbraw/zinc/47/32/98/563473298.db2.gz NCTXWMBTYCOBIW-AEFFLSMTSA-N 0 3 375.519 2.732 20 30 GFEDHN CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)s1 ZINC000329276861 563477425 /nfs/dbraw/zinc/47/74/25/563477425.db2.gz LJGAPDYDQLRNLF-CQSZACIVSA-N 0 3 386.543 2.826 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCO[C@]2(CCOC2)C1 ZINC000378430973 563506775 /nfs/dbraw/zinc/50/67/75/563506775.db2.gz VKPFBZQIXGQLDE-FUHWJXTLSA-N 0 3 380.282 2.889 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000331887070 563565622 /nfs/dbraw/zinc/56/56/22/563565622.db2.gz DUULKHXTAXKQBU-LBPRGKRZSA-N 0 3 398.326 2.616 20 30 GFEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435425947 563649516 /nfs/dbraw/zinc/64/95/16/563649516.db2.gz FSSVDMYAUOQMMC-MRXNPFEDSA-N 0 3 377.535 2.851 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288815471 563658065 /nfs/dbraw/zinc/65/80/65/563658065.db2.gz LVKLHAIFKKXSDH-ZANVPECISA-N 0 3 375.372 2.835 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)C(C)C ZINC000446040801 563857375 /nfs/dbraw/zinc/85/73/75/563857375.db2.gz DRRIQKGFBGJRNS-HNNXBMFYSA-N 0 3 396.329 2.907 20 30 GFEDHN C[C@H]1CCCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449636206 564193297 /nfs/dbraw/zinc/19/32/97/564193297.db2.gz ZMOSUZLLUZUBTQ-ZDUSSCGKSA-N 0 3 380.286 2.548 20 30 GFEDHN CC(C)(C)c1nc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)cs1 ZINC000564850206 564252371 /nfs/dbraw/zinc/25/23/71/564252371.db2.gz VIOWLHRIXASWOC-UHFFFAOYSA-N 0 3 377.535 2.918 20 30 GFEDHN CN1CC[C@H](Cn2nnnc2Sc2cc(Br)c(C#N)cc2F)C1 ZINC000569258891 564456026 /nfs/dbraw/zinc/45/60/26/564456026.db2.gz MMGRZMXOVDDUJH-VIFPVBQESA-N 0 3 397.277 2.549 20 30 GFEDHN C=CCN1CCC(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000521603622 564631410 /nfs/dbraw/zinc/63/14/10/564631410.db2.gz IGCJFUYBUZTZAZ-UHFFFAOYSA-N 0 3 382.961 2.879 20 30 GFEDHN COc1ccc(Br)c(C(=O)NCCCNC[C@H](C#N)CCC#N)c1 ZINC000554551467 564765779 /nfs/dbraw/zinc/76/57/79/564765779.db2.gz KMEIFIZVYSLFGZ-ZDUSSCGKSA-N 0 3 393.285 2.611 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)S(=O)(=O)N3C)n1 ZINC000528906512 564808949 /nfs/dbraw/zinc/80/89/49/564808949.db2.gz FDTPXFAAMGFUDX-GFCCVEGCSA-N 0 3 375.475 2.956 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(Br)c2F)CC1 ZINC000657626675 565113959 /nfs/dbraw/zinc/11/39/59/565113959.db2.gz BTVNCWGMWSYHGI-UHFFFAOYSA-N 0 3 398.276 2.683 20 30 GFEDHN COc1ccc(Br)cc1C1(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594449577 565386665 /nfs/dbraw/zinc/38/66/65/565386665.db2.gz KOQLZCOVLAKPBJ-CQSZACIVSA-N 0 3 380.286 2.974 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000594747122 565414457 /nfs/dbraw/zinc/41/44/57/565414457.db2.gz CPJFBGCIKWSJQZ-AWEZNQCLSA-N 0 3 375.519 2.844 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)ccc1Cl ZINC000595120212 565449899 /nfs/dbraw/zinc/44/98/99/565449899.db2.gz RXNNMLPHWYUGEX-SJLPKXTDSA-N 0 3 375.881 2.636 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CC[C@H](O)C2)cc1OCC ZINC000623836066 565533082 /nfs/dbraw/zinc/53/30/82/565533082.db2.gz KAFOSHCRSGAYKE-HNNXBMFYSA-N 0 3 399.329 2.569 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(C#N)c(F)c1 ZINC000824554123 609139435 /nfs/dbraw/zinc/13/94/35/609139435.db2.gz MZCKTERTTYTSMW-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(C#N)c(F)c1 ZINC000824554123 609139438 /nfs/dbraw/zinc/13/94/38/609139438.db2.gz MZCKTERTTYTSMW-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN CC1(C#N)CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC000824776838 609142589 /nfs/dbraw/zinc/14/25/89/609142589.db2.gz DNJHOYFZFWOADA-UHFFFAOYSA-N 0 3 399.524 2.761 20 30 GFEDHN COc1ccc(CNC[C@H](O)COc2cccc(Br)c2)cc1C#N ZINC000819184492 660249304 /nfs/dbraw/zinc/24/93/04/660249304.db2.gz ZEEJDGUQXZGTFT-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN COc1ccc(CNC[C@@H](O)COc2ccc(Br)cc2)cc1C#N ZINC000819182682 660249441 /nfs/dbraw/zinc/24/94/41/660249441.db2.gz GXNUXGQAQMJECS-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000836491120 660910430 /nfs/dbraw/zinc/91/04/30/660910430.db2.gz IAAWCSNREDQVOS-INIZCTEOSA-N 0 3 378.314 2.903 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000836490088 660910449 /nfs/dbraw/zinc/91/04/49/660910449.db2.gz GOVMETPOZQQHAP-AWEZNQCLSA-N 0 3 382.327 2.850 20 30 GFEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000266269503 654867816 /nfs/dbraw/zinc/86/78/16/654867816.db2.gz GJFOQAIPTCKHLS-CYBMUJFWSA-N 0 3 375.416 2.682 20 30 GFEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000171566887 655152319 /nfs/dbraw/zinc/15/23/19/655152319.db2.gz CZYAPFWMUWNTAU-XHDPSFHLSA-N 0 3 382.247 2.899 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1 ZINC000176781791 655256595 /nfs/dbraw/zinc/25/65/95/655256595.db2.gz HMUPNKUXAOHOPZ-UHFFFAOYSA-N 0 3 377.432 2.843 20 30 GFEDHN CCN1CCN(CC(C)(C)NC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000840827135 661193024 /nfs/dbraw/zinc/19/30/24/661193024.db2.gz FEEKLIGNMVTQAB-UHFFFAOYSA-N 0 3 379.961 2.914 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000754532739 655869240 /nfs/dbraw/zinc/86/92/40/655869240.db2.gz XJNWOWRYZDDQOJ-LBPRGKRZSA-N 0 3 385.247 2.818 20 30 GFEDHN Clc1cccc(Cl)c1CNN=C1CCN(CCN2CCOCC2)CC1 ZINC000793115597 658360094 /nfs/dbraw/zinc/36/00/94/658360094.db2.gz RWSJXBLWMQANJE-UHFFFAOYSA-N 0 3 385.339 2.867 20 30 GFEDHN COC[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000872236756 662758850 /nfs/dbraw/zinc/75/88/50/662758850.db2.gz WTBJSAPQFRASPX-IRXDYDNUSA-N 0 3 397.313 2.798 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906441259 663948175 /nfs/dbraw/zinc/94/81/75/663948175.db2.gz PVZVBNUSYVYYCJ-CQSZACIVSA-N 0 3 392.714 2.570 20 30 GFEDHN N#Cc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)c(Br)c1 ZINC000924057440 664645839 /nfs/dbraw/zinc/64/58/39/664645839.db2.gz DRYFVSXFEQFTEW-AWEZNQCLSA-N 0 3 377.238 2.765 20 30 GFEDHN CNC(=O)CN1CCCC12CCN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 ZINC001164690037 719755030 /nfs/dbraw/zinc/75/50/30/719755030.db2.gz QJGRNTGAECDZLY-UHFFFAOYSA-N 0 3 395.551 2.748 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCOC2 ZINC001164907265 721561154 /nfs/dbraw/zinc/56/11/54/721561154.db2.gz NRWQMXAUFIEASM-AZUAARDMSA-N 0 3 394.450 2.507 20 30 GFEDHN Cc1ccc(CC#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972675 722144962 /nfs/dbraw/zinc/14/49/62/722144962.db2.gz AGSXMRINPKJGFW-SFTDATJTSA-N 0 3 377.492 2.578 20 30 GFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121097498 551227468 /nfs/dbraw/zinc/22/74/68/551227468.db2.gz GGKPOZCPRMLTKQ-CYBMUJFWSA-N 0 3 387.933 2.815 20 30 GFEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000173245107 552080520 /nfs/dbraw/zinc/08/05/20/552080520.db2.gz BGONOIQETCNLNF-RISCZKNCSA-N 0 3 375.416 2.538 20 30 GFEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)COc1ncccc1Br ZINC000180393981 552225081 /nfs/dbraw/zinc/22/50/81/552225081.db2.gz LKMMYOCZRMLVTQ-QGZVFWFLSA-N 0 3 397.317 2.646 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000187829206 552425378 /nfs/dbraw/zinc/42/53/78/552425378.db2.gz WXADRJSKBPZYOA-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN C#CCCN1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000372291628 563301026 /nfs/dbraw/zinc/30/10/26/563301026.db2.gz NWMYXPCDJRDWPX-MRXNPFEDSA-N 0 3 377.282 2.529 20 30 GFEDHN C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000372810012 563318295 /nfs/dbraw/zinc/31/82/95/563318295.db2.gz MGLJDWUAWLADBG-KXBFYZLASA-N 0 3 391.357 2.779 20 30 GFEDHN C=CCN1CC[C@H](NCC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000280891525 563359468 /nfs/dbraw/zinc/35/94/68/563359468.db2.gz AXGUOQGMVDKKGQ-KRWDZBQOSA-N 0 3 393.325 2.874 20 30 GFEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000424136124 563371501 /nfs/dbraw/zinc/37/15/01/563371501.db2.gz NMWGMGZZVIZUON-GWCFXTLKSA-N 0 3 392.257 2.697 20 30 GFEDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000328960903 563468725 /nfs/dbraw/zinc/46/87/25/563468725.db2.gz KNWONRBKFQBPMV-CABCVRRESA-N 0 3 385.555 2.590 20 30 GFEDHN C[C@@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCN1C ZINC000329592041 563483148 /nfs/dbraw/zinc/48/31/48/563483148.db2.gz BURVEUFFJOIYEZ-ZIAGYGMSSA-N 0 3 385.555 2.710 20 30 GFEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330399499 563504062 /nfs/dbraw/zinc/50/40/62/563504062.db2.gz TYPIZRFCZHKPNH-GFCCVEGCSA-N 0 3 375.416 2.539 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000331465964 563550429 /nfs/dbraw/zinc/55/04/29/563550429.db2.gz QUUBAFPSNASKCO-CYBMUJFWSA-N 0 3 398.326 2.570 20 30 GFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000286628329 563568700 /nfs/dbraw/zinc/56/87/00/563568700.db2.gz IJSZIKYIPHDANA-WBMJQRKESA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000286800231 563575729 /nfs/dbraw/zinc/57/57/29/563575729.db2.gz SUCSILRRSFTCQE-SWLSCSKDSA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1ccc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c(Br)c1 ZINC000411965258 563642623 /nfs/dbraw/zinc/64/26/23/563642623.db2.gz JYWJOERKUJEQRN-LJQANCHMSA-N 0 3 384.277 2.950 20 30 GFEDHN C=CCn1c(SC[C@@H](O)CN(C)C2CC2)nc2sc(C)c(C)c2c1=O ZINC000290531787 563712673 /nfs/dbraw/zinc/71/26/73/563712673.db2.gz DHOBXIRCZKUYNY-AWEZNQCLSA-N 0 3 379.551 2.808 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(I)cc2F)CC1 ZINC000294504658 563844310 /nfs/dbraw/zinc/84/43/10/563844310.db2.gz FURIQKMOZKISQV-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN CN1CCC[C@@H](N2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 ZINC000368401965 563870081 /nfs/dbraw/zinc/87/00/81/563870081.db2.gz HWXGCGFRKDSKPK-QGZVFWFLSA-N 0 3 377.330 2.533 20 30 GFEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNc1cc(Br)c(C#N)cc1F ZINC000565221630 564270941 /nfs/dbraw/zinc/27/09/41/564270941.db2.gz MAAZMQMXAZSUGB-INIZCTEOSA-N 0 3 397.292 2.814 20 30 GFEDHN C=CCN1CCC(NC(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000510296759 564329142 /nfs/dbraw/zinc/32/91/42/564329142.db2.gz HWCFZOIHKAQVCW-UHFFFAOYSA-N 0 3 395.297 2.797 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000451598943 564330198 /nfs/dbraw/zinc/33/01/98/564330198.db2.gz MJZRLTOSQCIVOZ-HONMWMINSA-N 0 3 386.233 2.551 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@H](CCO)c2ccccc2Br)CC1 ZINC000543823677 564364876 /nfs/dbraw/zinc/36/48/76/564364876.db2.gz RZJZDJPAQGWENP-QGZVFWFLSA-N 0 3 396.329 2.822 20 30 GFEDHN CN(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000570218413 564496125 /nfs/dbraw/zinc/49/61/25/564496125.db2.gz NYKPEPAFZYLWJG-MRXNPFEDSA-N 0 3 377.897 2.835 20 30 GFEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)(C)CN(C)C ZINC000457213977 564652329 /nfs/dbraw/zinc/65/23/29/564652329.db2.gz WDTQIJISNFSART-UHFFFAOYSA-N 0 3 398.301 2.555 20 30 GFEDHN N#CC1(NC(=O)CNC2(c3cccc(Br)c3)CCOCC2)CCC1 ZINC000527378014 564742173 /nfs/dbraw/zinc/74/21/73/564742173.db2.gz WVTHAEWCNPJBAG-UHFFFAOYSA-N 0 3 392.297 2.607 20 30 GFEDHN CN(C)C[C@@H]1CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000556177310 564814273 /nfs/dbraw/zinc/81/42/73/564814273.db2.gz BMWBTTVJZDBRNC-AWEZNQCLSA-N 0 3 380.286 2.642 20 30 GFEDHN CC[C@H](CN1CCCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000590667838 565196362 /nfs/dbraw/zinc/19/63/62/565196362.db2.gz SFTIYZPTFFSJBU-CYBMUJFWSA-N 0 3 380.286 2.690 20 30 GFEDHN CCC(C#N)C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000593497300 565336605 /nfs/dbraw/zinc/33/66/05/565336605.db2.gz UPDWKKMNMQCPQV-BMIGLBTASA-N 0 3 392.253 2.680 20 30 GFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562028 565341680 /nfs/dbraw/zinc/34/16/80/565341680.db2.gz QZPDXCQNJCYBKC-HOCLYGCPSA-N 0 3 375.519 2.809 20 30 GFEDHN CN1CCC[C@H](N2CCN(c3cc(Br)c(C#N)cc3F)CC2)C1 ZINC000594556840 565399299 /nfs/dbraw/zinc/39/92/99/565399299.db2.gz TVUSHBLLRRLUPX-AWEZNQCLSA-N 0 3 381.293 2.676 20 30 GFEDHN C=CCCSCCN[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000595059814 565445848 /nfs/dbraw/zinc/44/58/48/565445848.db2.gz PFTKSDGUXQOPPA-INIZCTEOSA-N 0 3 384.567 2.667 20 30 GFEDHN CC(C)(C)N1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597924845 565582335 /nfs/dbraw/zinc/58/23/35/565582335.db2.gz SPJIFULQZVAHCK-ZDUSSCGKSA-N 0 3 380.286 2.689 20 30 GFEDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597925902 565582549 /nfs/dbraw/zinc/58/25/49/565582549.db2.gz XYOSRHIZYFSMFZ-GFCCVEGCSA-N 0 3 380.286 2.689 20 30 GFEDHN N#Cc1cc(Br)ccc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600009086 565710611 /nfs/dbraw/zinc/71/06/11/565710611.db2.gz WWKXGTRDNNQGEI-UHFFFAOYSA-N 0 3 392.297 2.648 20 30 GFEDHN Cc1cc(N2CC[C@H](NC[C@H](O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000600733551 565746438 /nfs/dbraw/zinc/74/64/38/565746438.db2.gz DPBSZNKDJRUFAD-ZBFHGGJFSA-N 0 3 392.297 2.507 20 30 GFEDHN N#CC1(C[C@H](O)CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000600734382 565747147 /nfs/dbraw/zinc/74/71/47/565747147.db2.gz OPDKYWBIZUWURC-INIZCTEOSA-N 0 3 375.270 2.779 20 30 GFEDHN C#C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)C1CCOCC1 ZINC000827559205 660502411 /nfs/dbraw/zinc/50/24/11/660502411.db2.gz CLLCALWMNDTLQN-GOSISDBHSA-N 0 3 393.325 2.804 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccccc2Br)CC1 ZINC000836288687 660898191 /nfs/dbraw/zinc/89/81/91/660898191.db2.gz YKEVRAZBZIFHMT-QGZVFWFLSA-N 0 3 396.329 2.822 20 30 GFEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000130456401 654888844 /nfs/dbraw/zinc/88/88/44/654888844.db2.gz RUMBCKZFQCBUON-HNNXBMFYSA-N 0 3 382.247 2.899 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)CC1 ZINC000277048636 655300281 /nfs/dbraw/zinc/30/02/81/655300281.db2.gz LCXVSEGESUBARP-UHFFFAOYSA-N 0 3 393.281 2.828 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000193610062 655411293 /nfs/dbraw/zinc/41/12/93/655411293.db2.gz ITACJIUPZLMGDU-SNVBAGLBSA-N 0 3 383.882 2.539 20 30 GFEDHN C#CCSCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000740488037 655697499 /nfs/dbraw/zinc/69/74/99/655697499.db2.gz WKPQLNAEOIAHMB-UHFFFAOYSA-N 0 3 398.370 2.889 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)cc(C(=O)OC)c2C)CC1 ZINC000841357846 661254619 /nfs/dbraw/zinc/25/46/19/661254619.db2.gz NSDHTQFIRCTQPT-UHFFFAOYSA-N 0 3 393.281 2.828 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793729479 658431703 /nfs/dbraw/zinc/43/17/03/658431703.db2.gz WVJMTJMGXOUCJT-AWEZNQCLSA-N 0 3 383.945 2.907 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737784 662865622 /nfs/dbraw/zinc/86/56/22/662865622.db2.gz VACVBMAZNULKCH-DOMZBBRYSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000876780628 662866273 /nfs/dbraw/zinc/86/62/73/662866273.db2.gz XALYBLYCASFBMZ-KBPBESRZSA-N 0 3 378.929 2.971 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000876878327 662867663 /nfs/dbraw/zinc/86/76/63/662867663.db2.gz ZLPVTFNMEGROIY-OAHLLOKOSA-N 0 3 385.295 2.876 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC(F)(F)c1ccc(Br)cc1)C2 ZINC000884425909 663070544 /nfs/dbraw/zinc/07/05/44/663070544.db2.gz WGFHUGPLHWLZEH-RYCVTPFZSA-N 0 3 398.251 2.796 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)cc(N(C)C)c1)C1CCN(C)CC1 ZINC000886575748 663114177 /nfs/dbraw/zinc/11/41/77/663114177.db2.gz IUIPDXRIDWORAJ-UHFFFAOYSA-N 0 3 378.314 2.685 20 30 GFEDHN C#CCN(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C1CCN(C)CC1 ZINC000886582464 663114385 /nfs/dbraw/zinc/11/43/85/663114385.db2.gz VWQXBWILLQFITN-UHFFFAOYSA-N 0 3 379.291 2.740 20 30 GFEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907186932 664010129 /nfs/dbraw/zinc/01/01/29/664010129.db2.gz OIEYFFBWGNNMTO-JSGCOSHPSA-N 0 3 398.326 2.568 20 30 GFEDHN C#CCN(C(=O)NCc1cccc(C)c1Br)C1CCN(C)CC1 ZINC000922141901 664587425 /nfs/dbraw/zinc/58/74/25/664587425.db2.gz TWMANFGMUXPWLB-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN N#Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164978184 722102478 /nfs/dbraw/zinc/10/24/78/722102478.db2.gz GBJHUMQWLFTDAB-IEBWSBKVSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164981773 722103043 /nfs/dbraw/zinc/10/30/43/722103043.db2.gz MJMMQWYZORIVIT-APWZRJJASA-N 0 3 383.883 2.729 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCN(C(C)=O)C2)cc1OC ZINC000152831501 551440698 /nfs/dbraw/zinc/44/06/98/551440698.db2.gz SMPSMRCTIOESRZ-CQSZACIVSA-N 0 3 383.286 2.733 20 30 GFEDHN CCS(=O)(=O)NCCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371835763 563288929 /nfs/dbraw/zinc/28/89/29/563288929.db2.gz VHXDEPWLMOZIGF-ZDUSSCGKSA-N 0 3 378.523 2.662 20 30 GFEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000424136151 563371362 /nfs/dbraw/zinc/37/13/62/563371362.db2.gz NMWGMGZZVIZUON-MFKMUULPSA-N 0 3 392.257 2.697 20 30 GFEDHN C[C@@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029867 563373210 /nfs/dbraw/zinc/37/32/10/563373210.db2.gz RKBFLFFUJZMXPC-UXGGDIESSA-N 0 3 381.567 2.772 20 30 GFEDHN CCN1CCN([C@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376545453 563445959 /nfs/dbraw/zinc/44/59/59/563445959.db2.gz JVUUFLFBLVZXOF-SFHVURJKSA-N 0 3 377.330 2.533 20 30 GFEDHN O=C(N[C@H]1CCn2ccnc2C1)N1CCOc2ccc(Br)cc2C1 ZINC000328758622 563464983 /nfs/dbraw/zinc/46/49/83/563464983.db2.gz WAQYXZKNELWLEW-AWEZNQCLSA-N 0 3 391.269 2.769 20 30 GFEDHN [O-]C(=[NH+]CCn1cc(Br)cn1)N1CCN(C2CCCCC2)CC1 ZINC000329702211 563486077 /nfs/dbraw/zinc/48/60/77/563486077.db2.gz HYUOQOPLBKFXNJ-UHFFFAOYSA-N 0 3 384.322 2.510 20 30 GFEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@H]2C1)Nc1cccc(Br)c1 ZINC000330096936 563495760 /nfs/dbraw/zinc/49/57/60/563495760.db2.gz AEFQQQLJDJDSFC-GFCCVEGCSA-N 0 3 381.230 2.504 20 30 GFEDHN CC(C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000330166501 563497464 /nfs/dbraw/zinc/49/74/64/563497464.db2.gz YDGDHNBMLJHJQN-IJEWVQPXSA-N 0 3 375.531 2.767 20 30 GFEDHN Cc1cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)sc1Br ZINC000286466039 563560981 /nfs/dbraw/zinc/56/09/81/563560981.db2.gz KQMAMCQNFDKYPZ-ZSNVJIKNSA-N 0 3 384.299 2.996 20 30 GFEDHN C#CCN(C(=O)/C=C/CN(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364804641 563764611 /nfs/dbraw/zinc/76/46/11/563764611.db2.gz JZMGGGUBBJLRSN-SQRWCISFSA-N 0 3 377.282 2.852 20 30 GFEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 ZINC000442108709 563768420 /nfs/dbraw/zinc/76/84/20/563768420.db2.gz BEWHJXIJLFWPDA-GFCCVEGCSA-N 0 3 381.860 2.980 20 30 GFEDHN C=CCOc1c(Br)cc(CN2CC[C@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365659734 563790130 /nfs/dbraw/zinc/79/01/30/563790130.db2.gz NSVCRVMFWHZVND-ZIAGYGMSSA-N 0 3 395.297 2.590 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)[C@H]2CCCO2)cc1OC ZINC000447968677 563892389 /nfs/dbraw/zinc/89/23/89/563892389.db2.gz RDZNBGNJUUHJHK-LSDHHAIUSA-N 0 3 386.286 2.652 20 30 GFEDHN CCN1CCCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449856039 564205883 /nfs/dbraw/zinc/20/58/83/564205883.db2.gz NMGLKUBJKYVTBH-AWEZNQCLSA-N 0 3 380.286 2.690 20 30 GFEDHN Cc1cc(S(=O)(=O)NCCN[C@@H]2CCc3ccc(C#N)cc32)c(C)s1 ZINC000574489678 564676394 /nfs/dbraw/zinc/67/63/94/564676394.db2.gz OKCCWQUVCHEILS-QGZVFWFLSA-N 0 3 375.519 2.792 20 30 GFEDHN C[C@H]1CSc2ccc(Br)cc2[C@H]1NCCn1cnc(C#N)n1 ZINC000552341723 564686882 /nfs/dbraw/zinc/68/68/82/564686882.db2.gz UROYSTPVAAZBHV-BONVTDFDSA-N 0 3 378.299 2.985 20 30 GFEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459697362 564757970 /nfs/dbraw/zinc/75/79/70/564757970.db2.gz MQGJLRWVIIDYQS-AWEZNQCLSA-N 0 3 379.551 2.867 20 30 GFEDHN COc1cc(CCNCCS(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000583867591 564911014 /nfs/dbraw/zinc/91/10/14/564911014.db2.gz UAKZVEBUXGWZCQ-UHFFFAOYSA-N 0 3 378.881 2.826 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCC[C@@H]2C(F)(F)F)nc1 ZINC000591749653 565239044 /nfs/dbraw/zinc/23/90/44/565239044.db2.gz HVFLRCCKADSJQM-KBPBESRZSA-N 0 3 375.416 2.685 20 30 GFEDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593554572 565340502 /nfs/dbraw/zinc/34/05/02/565340502.db2.gz YZYJRSYTSJLFMG-INIZCTEOSA-N 0 3 375.519 2.762 20 30 GFEDHN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN(C2CC2)C1 ZINC000593728783 565358611 /nfs/dbraw/zinc/35/86/11/565358611.db2.gz DZGVNIURACKPFA-CYBMUJFWSA-N 0 3 376.298 2.806 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000594447503 565386934 /nfs/dbraw/zinc/38/69/34/565386934.db2.gz XIMHFGCYJYHHRB-AWEZNQCLSA-N 0 3 376.258 2.985 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000594775492 565418816 /nfs/dbraw/zinc/41/88/16/565418816.db2.gz BJFUZXLICAHUOM-GOSISDBHSA-N 0 3 375.519 2.798 20 30 GFEDHN C[C@@](CO)(NC[C@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000599435523 565679350 /nfs/dbraw/zinc/67/93/50/565679350.db2.gz XDIAIBJGZPKSKN-SJORKVTESA-N 0 3 387.307 2.862 20 30 GFEDHN COc1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000600723992 565746571 /nfs/dbraw/zinc/74/65/71/565746571.db2.gz RLRWCGBPZNXMIN-AWEZNQCLSA-N 0 3 383.286 2.619 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNCCNc1ncc(Cl)cc1Cl ZINC000600716329 565747354 /nfs/dbraw/zinc/74/73/54/565747354.db2.gz JWTPLHMRWWINJQ-CQSZACIVSA-N 0 3 381.263 2.701 20 30 GFEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccccc1Br ZINC000602570031 565855480 /nfs/dbraw/zinc/85/54/80/565855480.db2.gz GPKDCEUXOPYJEC-HUUCEWRRSA-N 0 3 397.313 2.877 20 30 GFEDHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CCCCC#N ZINC000602580670 565856463 /nfs/dbraw/zinc/85/64/63/565856463.db2.gz YJPCPPUAZGZTFH-ZBFHGGJFSA-N 0 3 388.295 2.603 20 30 GFEDHN C[C@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858906 565872063 /nfs/dbraw/zinc/87/20/63/565872063.db2.gz CPAONBNJZUWZHX-KBPBESRZSA-N 0 3 379.302 2.696 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H]2COCC[C@H]2O)cc1OCC ZINC000631258456 565951295 /nfs/dbraw/zinc/95/12/95/565951295.db2.gz UGGIHLJKGWJJPC-HUUCEWRRSA-N 0 3 386.286 2.652 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000819739957 607280915 /nfs/dbraw/zinc/28/09/15/607280915.db2.gz LOQHWVRGQPJJBY-GOSISDBHSA-N 0 3 383.500 2.995 20 30 GFEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1-c1nnn[n-]1 ZINC000821808097 599420265 /nfs/dbraw/zinc/42/02/65/599420265.db2.gz AGMSDFYVCLZTJV-UHFFFAOYSA-N 0 3 389.463 2.506 20 30 GFEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1-c1nn[n-]n1 ZINC000821808097 599420267 /nfs/dbraw/zinc/42/02/67/599420267.db2.gz AGMSDFYVCLZTJV-UHFFFAOYSA-N 0 3 389.463 2.506 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820093039 606889024 /nfs/dbraw/zinc/88/90/24/606889024.db2.gz RWGBCLQJKCHYBA-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820093039 606889026 /nfs/dbraw/zinc/88/90/26/606889026.db2.gz RWGBCLQJKCHYBA-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093039 606889027 /nfs/dbraw/zinc/88/90/27/606889027.db2.gz RWGBCLQJKCHYBA-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093039 606889029 /nfs/dbraw/zinc/88/90/29/606889029.db2.gz RWGBCLQJKCHYBA-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820093038 606889413 /nfs/dbraw/zinc/88/94/13/606889413.db2.gz RWGBCLQJKCHYBA-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820093038 606889414 /nfs/dbraw/zinc/88/94/14/606889414.db2.gz RWGBCLQJKCHYBA-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093038 606889415 /nfs/dbraw/zinc/88/94/15/606889415.db2.gz RWGBCLQJKCHYBA-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093038 606889416 /nfs/dbraw/zinc/88/94/16/606889416.db2.gz RWGBCLQJKCHYBA-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000835058444 660839875 /nfs/dbraw/zinc/83/98/75/660839875.db2.gz OLVFVLUXTDAVQG-XHSDSOJGSA-N 0 3 393.281 2.804 20 30 GFEDHN C=CCNc1nnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)s1 ZINC000005784842 654449497 /nfs/dbraw/zinc/44/94/97/654449497.db2.gz NNIMFHLONJKFDF-AWEZNQCLSA-N 0 3 377.539 2.647 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCc1nnc2ccccn21 ZINC000122926108 654747192 /nfs/dbraw/zinc/74/71/92/654747192.db2.gz ZWUGQUNRTREWPW-UHFFFAOYSA-N 0 3 385.265 2.836 20 30 GFEDHN N#CC(C(=O)CCCOc1ccccc1Br)C(=O)N1CCCC1 ZINC000124862291 654783037 /nfs/dbraw/zinc/78/30/37/654783037.db2.gz PEPIGECVMPZYQH-ZDUSSCGKSA-N 0 3 379.254 2.939 20 30 GFEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199620 654862707 /nfs/dbraw/zinc/86/27/07/654862707.db2.gz OGHALCMAESADFA-BXUZGUMPSA-N 0 3 375.416 2.538 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000838622823 661051305 /nfs/dbraw/zinc/05/13/05/661051305.db2.gz PGDXUTAHKKMFPN-UHFFFAOYSA-N 0 3 386.323 2.843 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000138844778 655043726 /nfs/dbraw/zinc/04/37/26/655043726.db2.gz FLFWFBLBCADOHJ-JTQLQIEISA-N 0 3 388.177 2.534 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)nc1 ZINC000173419193 655170998 /nfs/dbraw/zinc/17/09/98/655170998.db2.gz UJEIAYPSCUDZBT-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000577621014 655463050 /nfs/dbraw/zinc/46/30/50/655463050.db2.gz YNPLRKUFZZWAQW-CQDKDKBSSA-N 0 3 386.311 2.848 20 30 GFEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000870142167 662675832 /nfs/dbraw/zinc/67/58/32/662675832.db2.gz GPHSREVLJJFKIY-CQSZACIVSA-N 0 3 381.219 2.797 20 30 GFEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000870142516 662675839 /nfs/dbraw/zinc/67/58/39/662675839.db2.gz LDNGJAXFFAOTHG-GFCCVEGCSA-N 0 3 381.219 2.797 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F ZINC000876640170 662864021 /nfs/dbraw/zinc/86/40/21/662864021.db2.gz MCXKTOADCMUPDC-JTQLQIEISA-N 0 3 380.750 2.823 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000876708727 662865101 /nfs/dbraw/zinc/86/51/01/662865101.db2.gz ZBZFCBWSIDMXSG-LBPRGKRZSA-N 0 3 397.228 2.872 20 30 GFEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccc(Br)cc1 ZINC000884092704 663064882 /nfs/dbraw/zinc/06/48/82/663064882.db2.gz MQDHWXMHZAUIKA-FHBSJOOWSA-N 0 3 376.298 2.940 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCCOCc1ccc(Cl)cc1Cl)C2 ZINC000884324054 663068834 /nfs/dbraw/zinc/06/88/34/663068834.db2.gz GFFQIABSXTWOFT-FVRSWCFKSA-N 0 3 382.291 2.766 20 30 GFEDHN COc1cc(OC)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Br ZINC000884315092 663068908 /nfs/dbraw/zinc/06/89/08/663068908.db2.gz GDGMMFGGGASLKQ-VVHFOWEKSA-N 0 3 394.269 2.544 20 30 GFEDHN C#CCN(C(=O)N[C@@H](C#C)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000923219497 664625424 /nfs/dbraw/zinc/62/54/24/664625424.db2.gz CJYDIDPGFHCJGO-SFHVURJKSA-N 0 3 388.309 2.862 20 30 GFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924053608 664645652 /nfs/dbraw/zinc/64/56/52/664645652.db2.gz JDEGSMLOVQSWNW-HNNXBMFYSA-N 0 3 377.238 2.765 20 30 GFEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1Br ZINC000931381128 664793252 /nfs/dbraw/zinc/79/32/52/664793252.db2.gz WBNYOFHIWBWLCD-HNNXBMFYSA-N 0 3 393.285 2.696 20 30 GFEDHN CC(C)(O)C[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945400 664844213 /nfs/dbraw/zinc/84/42/13/664844213.db2.gz WOIQJLBQHOXHJX-HLTSFMKQSA-N 0 3 385.295 2.611 20 30 GFEDHN N#Cc1cnc2cc[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c1-2 ZINC001164983349 722135483 /nfs/dbraw/zinc/13/54/83/722135483.db2.gz UNHMSIBMRQNQNQ-XLIONFOSSA-N 0 3 388.475 2.557 20 30 GFEDHN N#Cc1cc2c(nc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C1)CCC2 ZINC001164981620 722140696 /nfs/dbraw/zinc/14/06/96/722140696.db2.gz PQFCDTHAYWZCOA-KNQAVFIVSA-N 0 3 389.503 2.564 20 30 GFEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157616523 551540449 /nfs/dbraw/zinc/54/04/49/551540449.db2.gz IGRALWBBPHJRLP-LBPRGKRZSA-N 0 3 375.416 2.539 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000182043711 552274006 /nfs/dbraw/zinc/27/40/06/552274006.db2.gz DMJYZSUSROOKQG-AWEZNQCLSA-N 0 3 379.507 2.588 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000190925611 552514097 /nfs/dbraw/zinc/51/40/97/552514097.db2.gz CTHXFBYPTYDGMX-UHFFFAOYSA-N 0 3 384.261 2.600 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194271620 553016413 /nfs/dbraw/zinc/01/64/13/553016413.db2.gz OLRDJOAMODWUMC-KRWDZBQOSA-N 0 3 379.298 2.909 20 30 GFEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)n(-c2cccc(Br)c2)n1 ZINC000424098863 563370989 /nfs/dbraw/zinc/37/09/89/563370989.db2.gz ULANLZZCOJZYNJ-AWEZNQCLSA-N 0 3 376.258 2.903 20 30 GFEDHN N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000301562594 563407409 /nfs/dbraw/zinc/40/74/09/563407409.db2.gz YJCKHPMJHBZDFR-MRXNPFEDSA-N 0 3 376.507 2.516 20 30 GFEDHN CC(C(=O)NCCc1nc2c(s1)CCCC2)S(=O)(=O)C1CCOCC1 ZINC000328826015 563466387 /nfs/dbraw/zinc/46/63/87/563466387.db2.gz HVNNFAWHZNGIIK-LBPRGKRZSA-N 0 3 386.539 2.503 20 30 GFEDHN C[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000377978606 563492541 /nfs/dbraw/zinc/49/25/41/563492541.db2.gz TWLIDXLVHSYCHY-PBHICJAKSA-N 0 3 377.330 2.783 20 30 GFEDHN CS[C@H]1CN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@@H]1N1CCCC1 ZINC000330131372 563496450 /nfs/dbraw/zinc/49/64/50/563496450.db2.gz PQWLMJLXOLESHD-STQMWFEESA-N 0 3 383.587 2.935 20 30 GFEDHN CC(C(=O)NCc1nc(C(F)(F)F)cs1)S(=O)(=O)C1CCOCC1 ZINC000330165164 563497568 /nfs/dbraw/zinc/49/75/68/563497568.db2.gz WRFMMUCOCAJUBM-MRVPVSSYSA-N 0 3 386.417 2.601 20 30 GFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049204 563532929 /nfs/dbraw/zinc/53/29/29/563532929.db2.gz VMAWWTCQLKBZRR-WMLDXEAASA-N 0 3 375.519 2.809 20 30 GFEDHN CN1CCC(O)(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000331106043 563535740 /nfs/dbraw/zinc/53/57/40/563535740.db2.gz GFTAMBVHRKPZLB-ZDUSSCGKSA-N 0 3 379.810 2.904 20 30 GFEDHN C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CN1CCCC1 ZINC000409589623 563566270 /nfs/dbraw/zinc/56/62/70/563566270.db2.gz URXYECSIHNUMLW-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN1CC[C@H](NC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000410419373 563590547 /nfs/dbraw/zinc/59/05/47/563590547.db2.gz GIFAMRVWIICSTI-INIZCTEOSA-N 0 3 379.298 2.831 20 30 GFEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564803 563635810 /nfs/dbraw/zinc/63/58/10/563635810.db2.gz OQWJLSMBVAOCFM-RHSMWYFYSA-N 0 3 392.297 2.642 20 30 GFEDHN CC(C)(O)CN1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000368577713 563875040 /nfs/dbraw/zinc/87/50/40/563875040.db2.gz XTDHGDDHDJRWKX-UHFFFAOYSA-N 0 3 395.301 2.631 20 30 GFEDHN C[C@H]1CCCCN1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449628999 564193574 /nfs/dbraw/zinc/19/35/74/564193574.db2.gz JVBMTNPDQQDZLY-ZDUSSCGKSA-N 0 3 380.286 2.690 20 30 GFEDHN C[C@H]1C[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449929127 564209649 /nfs/dbraw/zinc/20/96/49/564209649.db2.gz ROZNSTYHJRRMGJ-QWHCGFSZSA-N 0 3 380.286 2.641 20 30 GFEDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451003218 564262327 /nfs/dbraw/zinc/26/23/27/564262327.db2.gz SQVJVZQTCGIECA-UHFFFAOYSA-N 0 3 377.897 2.946 20 30 GFEDHN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000566484976 564328568 /nfs/dbraw/zinc/32/85/68/564328568.db2.gz VJIQHMLXUFDIJL-SUMWQHHRSA-N 0 3 395.320 2.922 20 30 GFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc(Br)c1C#N ZINC000451687938 564340424 /nfs/dbraw/zinc/34/04/24/564340424.db2.gz ITBCGLGEYKZBGY-UONOGXRCSA-N 0 3 392.297 2.785 20 30 GFEDHN CC(C#N)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000478446231 564402672 /nfs/dbraw/zinc/40/26/72/564402672.db2.gz MBNCABRTJHZLIL-IUODEOHRSA-N 0 3 397.260 2.531 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@](C)(c1ccc(Br)cc1)C(C)C ZINC000484322991 564586715 /nfs/dbraw/zinc/58/67/15/564586715.db2.gz FGRALEORJVXLIH-KRWDZBQOSA-N 0 3 382.302 2.922 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000576271521 564710865 /nfs/dbraw/zinc/71/08/65/564710865.db2.gz DRCBLNCHFMSDPZ-WBVHZDCISA-N 0 3 380.330 2.868 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000459857565 564763666 /nfs/dbraw/zinc/76/36/66/564763666.db2.gz FJMQZYWWMOBIBF-UHFFFAOYSA-N 0 3 383.945 2.859 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530023264 564860205 /nfs/dbraw/zinc/86/02/05/564860205.db2.gz SIMMRBNLZQZMFA-AWEZNQCLSA-N 0 3 392.297 2.833 20 30 GFEDHN N#Cc1ccc(CNCCCNS(=O)(=O)c2ccccc2Cl)c(F)c1 ZINC000466391823 564939888 /nfs/dbraw/zinc/93/98/88/564939888.db2.gz IFSHAWSTDTZOHR-UHFFFAOYSA-N 0 3 381.860 2.809 20 30 GFEDHN Cn1ncc(Br)c1CNC1CCC(Oc2ncccc2C#N)CC1 ZINC000562347862 565025141 /nfs/dbraw/zinc/02/51/41/565025141.db2.gz BKOKDOXYPCNAPW-UHFFFAOYSA-N 0 3 390.285 2.929 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000593459460 565332780 /nfs/dbraw/zinc/33/27/80/565332780.db2.gz PNELJOHOAMNKDV-KRWDZBQOSA-N 0 3 376.298 2.950 20 30 GFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000594428572 565384673 /nfs/dbraw/zinc/38/46/73/565384673.db2.gz NDMANJNWQRWEOC-FZMZJTMJSA-N 0 3 396.285 2.809 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000594748750 565413959 /nfs/dbraw/zinc/41/39/59/565413959.db2.gz OCFGUYPDJHLULQ-CVEARBPZSA-N 0 3 375.519 2.987 20 30 GFEDHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)N(C)CCC#N ZINC000594840703 565428647 /nfs/dbraw/zinc/42/86/47/565428647.db2.gz YDOHVFBAGYUEPG-UHFFFAOYSA-N 0 3 386.949 2.574 20 30 GFEDHN C#CCN(C)CCCNC(=O)CCOc1ccc(Cl)cc1Br ZINC000818603328 660230024 /nfs/dbraw/zinc/23/00/24/660230024.db2.gz YHKXGULVWAPIAU-UHFFFAOYSA-N 0 3 387.705 2.943 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000818603142 660230034 /nfs/dbraw/zinc/23/00/34/660230034.db2.gz PKXMZQKCODBNRG-UHFFFAOYSA-N 0 3 375.270 2.524 20 30 GFEDHN C[C@@H](NC(=S)NN=C1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000819807653 660270387 /nfs/dbraw/zinc/27/03/87/660270387.db2.gz SWVRMUXTBLXHJX-LLVKDONJSA-N 0 3 389.352 2.963 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000836487597 660910167 /nfs/dbraw/zinc/91/01/67/660910167.db2.gz PRVFMQYATSOLOI-UHFFFAOYSA-N 0 3 382.302 2.554 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000125172939 654789062 /nfs/dbraw/zinc/78/90/62/654789062.db2.gz CJNAHLMFPXDRIH-RISCZKNCSA-N 0 3 399.310 2.791 20 30 GFEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199623 654862636 /nfs/dbraw/zinc/86/26/36/654862636.db2.gz OGHALCMAESADFA-SMDDNHRTSA-N 0 3 375.416 2.538 20 30 GFEDHN C#CCN1CCC(C(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000116149611 655244779 /nfs/dbraw/zinc/24/47/79/655244779.db2.gz VMJYDRCGIXUXFY-UHFFFAOYSA-N 0 3 381.289 2.982 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@@]1(N2CCOCC2)CCSC1 ZINC000778158744 656869133 /nfs/dbraw/zinc/86/91/33/656869133.db2.gz DZECJASTSFZZQC-IBGZPJMESA-N 0 3 380.941 2.650 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786930984 657491002 /nfs/dbraw/zinc/49/10/02/657491002.db2.gz SHQUBLJOHWIUBV-SCVCMEIPSA-N 0 3 382.247 2.932 20 30 GFEDHN C[C@H](NC(=O)C(C#N)C(=O)CCn1ccnn1)c1ccc(Cl)cc1Cl ZINC000802218515 659456456 /nfs/dbraw/zinc/45/64/56/659456456.db2.gz DNLKXCXJLRAJEY-GWCFXTLKSA-N 0 3 380.235 2.561 20 30 GFEDHN N#CC(C(=O)Cc1ccc(Br)c(F)c1)C(=O)Nc1ccccn1 ZINC000810535469 659977092 /nfs/dbraw/zinc/97/70/92/659977092.db2.gz IRXSSIOOGAYEQK-LLVKDONJSA-N 0 3 376.185 2.873 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000813058889 660041440 /nfs/dbraw/zinc/04/14/40/660041440.db2.gz PEHBOHIWRCDQPC-YPMHNXCESA-N 0 3 399.260 2.943 20 30 GFEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815904634 660135268 /nfs/dbraw/zinc/13/52/68/660135268.db2.gz LNENENPBWVKITG-GFCCVEGCSA-N 0 3 387.299 2.693 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)ccc1OC(F)F ZINC000843896548 661396006 /nfs/dbraw/zinc/39/60/06/661396006.db2.gz GXXVKMPZSQYIIF-UHFFFAOYSA-N 0 3 375.213 2.735 20 30 GFEDHN Cn1nc(Br)c2c1ncnc2N=NC1CCCN2CCCC[C@H]12 ZINC000848403937 661645850 /nfs/dbraw/zinc/64/58/50/661645850.db2.gz FXZHDUMKWABENA-LLVKDONJSA-N 0 3 378.278 2.542 20 30 GFEDHN Brc1cc(C=NNCCN2CCCCC2)[nH]c1Br ZINC000853292136 661887200 /nfs/dbraw/zinc/88/72/00/661887200.db2.gz VGDAGBZYTSVNFS-UHFFFAOYSA-N 0 3 378.112 2.949 20 30 GFEDHN CN1CCN(C2CCN(c3cc(Br)c(C#N)cc3F)CC2)CC1 ZINC000866211998 662464611 /nfs/dbraw/zinc/46/46/11/662464611.db2.gz BUKJBMJPQRESNT-UHFFFAOYSA-N 0 3 381.293 2.676 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737786 662865668 /nfs/dbraw/zinc/86/56/68/662865668.db2.gz VACVBMAZNULKCH-SWLSCSKDSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000876765783 662866017 /nfs/dbraw/zinc/86/60/17/662866017.db2.gz XPZABMKHRLBJFT-RISCZKNCSA-N 0 3 377.794 2.750 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876775380 662866300 /nfs/dbraw/zinc/86/63/00/662866300.db2.gz AITWPQODTMULMW-PWSUYJOCSA-N 0 3 397.228 2.919 20 30 GFEDHN N#Cc1ccc(C2(NC[C@H](O)c3cc(Br)no3)CCOCC2)cc1 ZINC000879054939 662914914 /nfs/dbraw/zinc/91/49/14/662914914.db2.gz YWUUSMSUVAINRL-AWEZNQCLSA-N 0 3 392.253 2.638 20 30 GFEDHN COc1cc(Br)ccc1[C@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884317942 663068787 /nfs/dbraw/zinc/06/87/87/663068787.db2.gz HOERCDLKCAHATE-WELLJHPMSA-N 0 3 392.297 2.774 20 30 GFEDHN Cc1cc(Br)c2c(c1)CCN(C(=O)C1CC3(C1)CNC[C@@H]3C#N)C2 ZINC000884450736 663070919 /nfs/dbraw/zinc/07/09/19/663070919.db2.gz RKAAXFOLCBIGCB-HVEKOLDVSA-N 0 3 388.309 2.782 20 30 GFEDHN C#CCN(C(=O)c1cc(I)ccc1C)C1CCN(C)CC1 ZINC000886580187 663114278 /nfs/dbraw/zinc/11/42/78/663114278.db2.gz ZEMSQPKHZHXZDR-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)cc1 ZINC000892463058 663374729 /nfs/dbraw/zinc/37/47/29/663374729.db2.gz YTJOJBSPGXHWOF-HNNXBMFYSA-N 0 3 381.270 2.633 20 30 GFEDHN COCCOC1(CNCc2cc(C#N)ccc2Br)CCOCC1 ZINC000922152875 664588034 /nfs/dbraw/zinc/58/80/34/664588034.db2.gz BBBMJNQRXYQMHG-UHFFFAOYSA-N 0 3 383.286 2.623 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)C(C)C ZINC000071951850 209110673 /nfs/dbraw/zinc/11/06/73/209110673.db2.gz ZVLYPLMZYDVPRP-IBGZPJMESA-N 0 3 392.569 2.977 20 30 GFEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000156987115 551531535 /nfs/dbraw/zinc/53/15/35/551531535.db2.gz ZOFOVXGHJVGPST-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2I)CC1 ZINC000171718626 551662227 /nfs/dbraw/zinc/66/22/27/551662227.db2.gz IZBDFTWGXVZYEH-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177664570 552156327 /nfs/dbraw/zinc/15/63/27/552156327.db2.gz HMWCPARRUOOXOI-ABAIWWIYSA-N 0 3 375.416 2.538 20 30 GFEDHN O=C(NCCN[C@H]1CCc2ccc(Br)cc21)C1N=CC=CC1=O ZINC000193992957 553008724 /nfs/dbraw/zinc/00/87/24/553008724.db2.gz IPHSCFHJKNWGGT-HYEKCJMVSA-N 0 3 376.254 2.552 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CNC[C@@H]1CCCO1 ZINC000237723139 553081161 /nfs/dbraw/zinc/08/11/61/553081161.db2.gz JOKDQAXUUKDFIL-HNNXBMFYSA-N 0 3 385.277 2.871 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1Cl ZINC000246246717 553105035 /nfs/dbraw/zinc/10/50/35/553105035.db2.gz DWRNUJPCMVYCGH-SCLBCKFNSA-N 0 3 379.913 2.849 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000424113786 563370980 /nfs/dbraw/zinc/37/09/80/563370980.db2.gz OLKZGOQFCBHHPT-NSHDSACASA-N 0 3 376.201 2.688 20 30 GFEDHN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424164905 563372435 /nfs/dbraw/zinc/37/24/35/563372435.db2.gz ALOPSERNKUGYON-HNNXBMFYSA-N 0 3 386.279 2.559 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000424170196 563372558 /nfs/dbraw/zinc/37/25/58/563372558.db2.gz JNNPZURSNWODBC-XEZPLFJOSA-N 0 3 397.313 2.643 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)CCOC)cc1OCC ZINC000282159315 563400411 /nfs/dbraw/zinc/40/04/11/563400411.db2.gz IILDHGSZCBTYOB-CQSZACIVSA-N 0 3 388.302 2.900 20 30 GFEDHN O=C(N[C@@H]1CCn2ccnc2C1)N1CCOc2ccc(Br)cc2C1 ZINC000328758624 563464525 /nfs/dbraw/zinc/46/45/25/563464525.db2.gz WAQYXZKNELWLEW-CQSZACIVSA-N 0 3 391.269 2.769 20 30 GFEDHN O=C(NCCN1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329061104 563471449 /nfs/dbraw/zinc/47/14/49/563471449.db2.gz ZHGGLAXPGRTRJC-OAHLLOKOSA-N 0 3 385.555 2.734 20 30 GFEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330683087 563517522 /nfs/dbraw/zinc/51/75/22/563517522.db2.gz IKQQTDLIMQLPHY-GFCCVEGCSA-N 0 3 387.933 2.803 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSC(F)(F)F)cc1 ZINC000287170861 563590461 /nfs/dbraw/zinc/59/04/61/563590461.db2.gz NFLZUERLYDBHIO-SECBINFHSA-N 0 3 381.401 2.747 20 30 GFEDHN CN1CCC[C@@H](N2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 ZINC000365189469 563776361 /nfs/dbraw/zinc/77/63/61/563776361.db2.gz CAKCRWJXYVTNNF-QGZVFWFLSA-N 0 3 377.330 2.533 20 30 GFEDHN CN1CC[C@@H](Cn2nnnc2Sc2cc(Br)c(C#N)cc2F)C1 ZINC000569258890 564456157 /nfs/dbraw/zinc/45/61/57/564456157.db2.gz MMGRZMXOVDDUJH-SECBINFHSA-N 0 3 397.277 2.549 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(C(F)(F)F)C2)cc1 ZINC000481034331 564500880 /nfs/dbraw/zinc/50/08/80/564500880.db2.gz LKCSLCYWKAHQHG-BMQDGWLCSA-N 0 3 375.372 2.835 20 30 GFEDHN N#Cc1csc(CNc2cc(N3CCOCC3)c(Br)cn2)n1 ZINC000575477405 564699335 /nfs/dbraw/zinc/69/93/35/564699335.db2.gz LDPQPJWFQLCXJO-UHFFFAOYSA-N 0 3 380.271 2.621 20 30 GFEDHN Cc1cc(N(CCC#N)C(=O)CNC2(CO)CCSCC2)ccc1Cl ZINC000459712609 564758710 /nfs/dbraw/zinc/75/87/10/564758710.db2.gz NJBLOGANDPJACW-UHFFFAOYSA-N 0 3 381.929 2.743 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000588910548 565143850 /nfs/dbraw/zinc/14/38/50/565143850.db2.gz VAQVTUSCWTWTAN-LBPRGKRZSA-N 0 3 388.331 2.719 20 30 GFEDHN C=CCN(C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)COC ZINC000661240898 565315823 /nfs/dbraw/zinc/31/58/23/565315823.db2.gz SQISXJCWADOUBM-WFASDCNBSA-N 0 3 376.266 2.851 20 30 GFEDHN N#Cc1sccc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000593537564 565339306 /nfs/dbraw/zinc/33/93/06/565339306.db2.gz FAMONGHDKWTEJH-UHFFFAOYSA-N 0 3 381.548 2.872 20 30 GFEDHN CCC(C#N)C(=O)N(C)[C@@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000593740982 565359538 /nfs/dbraw/zinc/35/95/38/565359538.db2.gz YOXPFYJVWFXRBF-IINYFYTJSA-N 0 3 383.242 2.680 20 30 GFEDHN C=CCOc1c(Br)cc(CN2CCOC3(CNC3)C2)cc1OCC ZINC000663514635 565424125 /nfs/dbraw/zinc/42/41/25/565424125.db2.gz YECUODFVXRURAX-UHFFFAOYSA-N 0 3 397.313 2.587 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594959103 565438120 /nfs/dbraw/zinc/43/81/20/565438120.db2.gz SWENHAASTCGCAM-UHFFFAOYSA-N 0 3 375.519 2.680 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)cc1Cl ZINC000595120148 565449979 /nfs/dbraw/zinc/44/99/79/565449979.db2.gz OGFVXXNUTUEZMD-SJLPKXTDSA-N 0 3 375.881 2.636 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1I ZINC000595257798 565458677 /nfs/dbraw/zinc/45/86/77/565458677.db2.gz XADYSBISDOKQQQ-GFCCVEGCSA-N 0 3 391.640 2.582 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256978 565459180 /nfs/dbraw/zinc/45/91/80/565459180.db2.gz YTUAPSZJFFWPQN-HZPDHXFCSA-N 0 3 380.286 2.760 20 30 GFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000598724123 565637324 /nfs/dbraw/zinc/63/73/24/565637324.db2.gz IOQGUQDYLCOVTM-INIZCTEOSA-N 0 3 396.329 2.676 20 30 GFEDHN N#Cc1cc(F)c(OCC(=O)NC2CCN(C3CC3)CC2)c(Br)c1 ZINC000598730853 565638576 /nfs/dbraw/zinc/63/85/76/565638576.db2.gz SVGPEKPIOCEBCQ-UHFFFAOYSA-N 0 3 396.260 2.582 20 30 GFEDHN C=CCN1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648773626 565728439 /nfs/dbraw/zinc/72/84/39/565728439.db2.gz SXTIQUZJRAAJEY-UHFFFAOYSA-N 0 3 377.286 2.716 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000735418636 598483321 /nfs/dbraw/zinc/48/33/21/598483321.db2.gz HTPXWFLOQNRNQO-IAGOWNOFSA-N 0 3 397.527 2.827 20 30 GFEDHN C=CC[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904230 607489245 /nfs/dbraw/zinc/48/92/45/607489245.db2.gz XFJZLIWKESLQCI-UHFFFAOYSA-N 0 3 376.464 2.908 20 30 GFEDHN C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823904230 607489247 /nfs/dbraw/zinc/48/92/47/607489247.db2.gz XFJZLIWKESLQCI-UHFFFAOYSA-N 0 3 376.464 2.908 20 30 GFEDHN C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823903634 607921138 /nfs/dbraw/zinc/92/11/38/607921138.db2.gz FQAPTFKKVIRTDU-UHFFFAOYSA-N 0 3 377.448 2.884 20 30 GFEDHN C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823903634 607921139 /nfs/dbraw/zinc/92/11/39/607921139.db2.gz FQAPTFKKVIRTDU-UHFFFAOYSA-N 0 3 377.448 2.884 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(C#N)c(F)c1 ZINC000824554125 609139590 /nfs/dbraw/zinc/13/95/90/609139590.db2.gz MZCKTERTTYTSMW-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(C#N)c(F)c1 ZINC000824554125 609139591 /nfs/dbraw/zinc/13/95/91/609139591.db2.gz MZCKTERTTYTSMW-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(I)cc(C)c1C ZINC000818595613 660229419 /nfs/dbraw/zinc/22/94/19/660229419.db2.gz DXLBGCGYMOPRGG-UHFFFAOYSA-N 0 3 384.261 2.593 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000826656435 660460205 /nfs/dbraw/zinc/46/02/05/660460205.db2.gz OYTKMZNQOCNVEU-GFCCVEGCSA-N 0 3 380.124 2.649 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](COC)c2cccc(Br)c2)CC1 ZINC000828112405 660533760 /nfs/dbraw/zinc/53/37/60/660533760.db2.gz KYHZFDFYXQIGLW-QGZVFWFLSA-N 0 3 379.298 2.598 20 30 GFEDHN C#CC[C@H](CO)NCc1cc(Br)c(OC)c(Br)c1 ZINC000717823129 655523722 /nfs/dbraw/zinc/52/37/22/655523722.db2.gz OFWUYVHDMCMBMN-SNVBAGLBSA-N 0 3 377.076 2.694 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1scnc1Br ZINC000754272347 655865963 /nfs/dbraw/zinc/86/59/63/655865963.db2.gz SWBWAKXWFZLADA-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C#C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000775790896 656680479 /nfs/dbraw/zinc/68/04/79/656680479.db2.gz JUHOCNUZXMLBBL-INWMFGNUSA-N 0 3 388.689 2.613 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC1CCN(S(=O)(=O)CCC)CC1 ZINC000778156522 656869114 /nfs/dbraw/zinc/86/91/14/656869114.db2.gz WOJASRORBNUMDF-UHFFFAOYSA-N 0 3 384.929 2.646 20 30 GFEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)[S@@]1=O ZINC000796378311 658914988 /nfs/dbraw/zinc/91/49/88/658914988.db2.gz OVCQAKTUPDBCLC-QBSBMQLGSA-N 0 3 375.519 2.704 20 30 GFEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NCCCOC ZINC000842284307 661331626 /nfs/dbraw/zinc/33/16/26/661331626.db2.gz HAPOJBCYKWVUIQ-GDBMZVCRSA-N 0 3 395.297 2.879 20 30 GFEDHN CN1CCN([C@@H](CNCc2cc(C#N)cnc2Cl)c2cccs2)CC1 ZINC000876884369 662867652 /nfs/dbraw/zinc/86/76/52/662867652.db2.gz HFYGKPHXVHLSOV-INIZCTEOSA-N 0 3 375.929 2.746 20 30 GFEDHN Cc1cc(Br)cc(C)c1CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884111295 663065318 /nfs/dbraw/zinc/06/53/18/663065318.db2.gz HAZDMEUQIAKSEU-FVRSWCFKSA-N 0 3 376.298 2.822 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCOCc1ccc(Cl)cc1Cl)C2 ZINC000884324055 663068904 /nfs/dbraw/zinc/06/89/04/663068904.db2.gz GFFQIABSXTWOFT-TXKKKEFDSA-N 0 3 382.291 2.766 20 30 GFEDHN C[C@H]1C[C@@H](C(=O)Oc2ccc(C#N)cc2I)CCN1C ZINC000890390524 663298987 /nfs/dbraw/zinc/29/89/87/663298987.db2.gz GRIMACXIUFWLSO-JQWIXIFHSA-N 0 3 384.217 2.799 20 30 GFEDHN CN1CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000895158103 663501415 /nfs/dbraw/zinc/50/14/15/663501415.db2.gz WKBKKUMINUTGKP-JYJNAYRXSA-N 0 3 382.302 2.554 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2sccc2Br)c1 ZINC000905428049 663871200 /nfs/dbraw/zinc/87/12/00/663871200.db2.gz QLHWPEGLTDXZNF-UHFFFAOYSA-N 0 3 399.335 2.988 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000916875347 664473858 /nfs/dbraw/zinc/47/38/58/664473858.db2.gz MXXOXKTXKQLDEC-GFCCVEGCSA-N 0 3 377.491 2.584 20 30 GFEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916929841 664474548 /nfs/dbraw/zinc/47/45/48/664474548.db2.gz BPBIEIMGEUQUQC-GFCCVEGCSA-N 0 3 382.247 2.947 20 30 GFEDHN N#Cc1ccc(OC2CCC(NCc3nc(Br)c[nH]3)CC2)nc1 ZINC000921958135 664578604 /nfs/dbraw/zinc/57/86/04/664578604.db2.gz WMKYEKFVHOWLMU-UHFFFAOYSA-N 0 3 376.258 2.919 20 30 GFEDHN C#CCC1(NCc2cc(OC)c(C(=O)OC)cc2Br)CCOCC1 ZINC000931760028 664804540 /nfs/dbraw/zinc/80/45/40/664804540.db2.gz FGBTVRRSCNDPFD-UHFFFAOYSA-N 0 3 396.281 2.906 20 30 GFEDHN CN(C)C(=O)CCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948986 664844711 /nfs/dbraw/zinc/84/47/11/664844711.db2.gz NIYDQNLNCAIBBZ-RKDXNWHRSA-N 0 3 382.295 2.958 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164762199 721131135 /nfs/dbraw/zinc/13/11/35/721131135.db2.gz CNYMDOZLUKUGPI-MOPGFXCFSA-N 0 3 376.508 2.719 20 30 GFEDHN C=CCOc1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164910277 721535961 /nfs/dbraw/zinc/53/59/61/721535961.db2.gz UBBSISOZSBDZKQ-HKUYNNGSSA-N 0 3 384.455 2.831 20 30 GFEDHN N#Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164981782 722102810 /nfs/dbraw/zinc/10/28/10/722102810.db2.gz MJMMQWYZORIVIT-VQIMIIECSA-N 0 3 383.883 2.729 20 30 GFEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(OC)c(Br)s2)c1C#N ZINC000133602386 551383751 /nfs/dbraw/zinc/38/37/51/551383751.db2.gz VTOOLIWSKCVBMO-UHFFFAOYSA-N 0 3 398.286 2.518 20 30 GFEDHN N#Cc1ccccc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000156919492 551530858 /nfs/dbraw/zinc/53/08/58/551530858.db2.gz AUBIMGZERVKZTI-UHFFFAOYSA-N 0 3 375.519 2.810 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000171568214 551658129 /nfs/dbraw/zinc/65/81/29/551658129.db2.gz NMPYRCKFDFPQLK-UHFFFAOYSA-N 0 3 395.297 2.529 20 30 GFEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246394045 553106915 /nfs/dbraw/zinc/10/69/15/553106915.db2.gz SQHKARFMLPQERV-GJZGRUSLSA-N 0 3 398.326 2.568 20 30 GFEDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1N1CCCC1 ZINC000296139767 563275810 /nfs/dbraw/zinc/27/58/10/563275810.db2.gz XBRWJSFHNIGWQJ-HZPDHXFCSA-N 0 3 394.338 2.973 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000424092864 563370327 /nfs/dbraw/zinc/37/03/27/563370327.db2.gz PVBXEYHVJRLMQN-INIZCTEOSA-N 0 3 394.313 2.635 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000424098282 563370908 /nfs/dbraw/zinc/37/09/08/563370908.db2.gz GUPOLNGBWLTRPB-OAHLLOKOSA-N 0 3 380.286 2.592 20 30 GFEDHN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(Cl)cc1 ZINC000301464774 563404584 /nfs/dbraw/zinc/40/45/84/563404584.db2.gz GSZQHJVGUCZBLS-KRWDZBQOSA-N 0 3 378.885 2.574 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@@H]1N(C)C ZINC000330834610 563523128 /nfs/dbraw/zinc/52/31/28/563523128.db2.gz WHCCHKSDYKPZDX-STQMWFEESA-N 0 3 375.489 3.000 20 30 GFEDHN C[C@H](Cn1cc(Br)ccc1=O)NCCOc1ccc(C#N)cc1 ZINC000414098287 563719532 /nfs/dbraw/zinc/71/95/32/563719532.db2.gz SHTQRSHDMCUAFS-CYBMUJFWSA-N 0 3 376.254 2.540 20 30 GFEDHN C#CCN1CCC(C(=O)NCCc2c[nH]c3cccc(Br)c23)CC1 ZINC000291045620 563730842 /nfs/dbraw/zinc/73/08/42/563730842.db2.gz WXUOCIBUGPNVCJ-UHFFFAOYSA-N 0 3 388.309 2.934 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000291747998 563757466 /nfs/dbraw/zinc/75/74/66/563757466.db2.gz SKSREVSAVLKFDS-UHFFFAOYSA-N 0 3 381.270 2.616 20 30 GFEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC000442119557 563768750 /nfs/dbraw/zinc/76/87/50/563768750.db2.gz OLCLGQHTSWICPH-GFCCVEGCSA-N 0 3 381.860 2.980 20 30 GFEDHN CC(C)C[C@H](CN(C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449803129 564203146 /nfs/dbraw/zinc/20/31/46/564203146.db2.gz IXWNIDCYBDDCIO-CQSZACIVSA-N 0 3 382.302 2.792 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000450347039 564228846 /nfs/dbraw/zinc/22/88/46/564228846.db2.gz INAZQLDDDQAONA-SFHVURJKSA-N 0 3 387.281 2.765 20 30 GFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1I ZINC000545446758 564423735 /nfs/dbraw/zinc/42/37/35/564423735.db2.gz UPELRHLCAIRHGE-JTQLQIEISA-N 0 3 379.157 2.580 20 30 GFEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000515831914 564488453 /nfs/dbraw/zinc/48/84/53/564488453.db2.gz BOAYAQOAIFGNLP-UHFFFAOYSA-N 0 3 377.897 2.948 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000574392796 564671560 /nfs/dbraw/zinc/67/15/60/564671560.db2.gz HCZWNFBJAABJLX-GXTWGEPZSA-N 0 3 375.416 2.685 20 30 GFEDHN C=CCOc1cccc(CNCCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000532497920 564939218 /nfs/dbraw/zinc/93/92/18/564939218.db2.gz VUNMTYGOISTGGJ-UHFFFAOYSA-N 0 3 380.535 2.998 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640291882 565293839 /nfs/dbraw/zinc/29/38/39/565293839.db2.gz GHWSLVLVQDOJJZ-UHFFFAOYSA-N 0 3 379.814 2.683 20 30 GFEDHN C=CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H](C)COC ZINC000661240896 565316483 /nfs/dbraw/zinc/31/64/83/565316483.db2.gz SQISXJCWADOUBM-IUODEOHRSA-N 0 3 376.266 2.851 20 30 GFEDHN CCC(C#N)C(=O)N(C)[C@@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000593740983 565359192 /nfs/dbraw/zinc/35/91/92/565359192.db2.gz YOXPFYJVWFXRBF-QMTHXVAHSA-N 0 3 383.242 2.680 20 30 GFEDHN COCCN(C)CCOc1cccc(CNc2nc(C#N)c(Cl)s2)c1 ZINC000596110585 565514530 /nfs/dbraw/zinc/51/45/30/565514530.db2.gz PWMDGSDDGKEVMJ-UHFFFAOYSA-N 0 3 380.901 2.659 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000599404912 565677219 /nfs/dbraw/zinc/67/72/19/565677219.db2.gz QUHTZZVKVUCRAY-SJORKVTESA-N 0 3 394.313 2.956 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600738366 565747336 /nfs/dbraw/zinc/74/73/36/565747336.db2.gz ZJURLYSKOMYFRA-HNNXBMFYSA-N 0 3 383.286 2.619 20 30 GFEDHN N#CC1CCC(NCC(=O)Nc2ccc(I)cc2)CC1 ZINC000602651870 565860784 /nfs/dbraw/zinc/86/07/84/565860784.db2.gz HDEPFDSYGCIALO-UHFFFAOYSA-N 0 3 383.233 2.902 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(C(F)(F)F)c1 ZINC000604022189 565922343 /nfs/dbraw/zinc/92/23/43/565922343.db2.gz KCMGWXLHZODKRF-UHFFFAOYSA-N 0 3 375.416 2.731 20 30 GFEDHN N#CC(C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1nc2cc(F)ccc2s1 ZINC000737672752 598925288 /nfs/dbraw/zinc/92/52/88/598925288.db2.gz KFXKICDXGAUGRY-GFCCVEGCSA-N 0 3 379.380 2.861 20 30 GFEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCN(CCOC)C2)s1 ZINC000819252183 660252141 /nfs/dbraw/zinc/25/21/41/660252141.db2.gz OVCGUWMTVKLTBF-ZDUSSCGKSA-N 0 3 389.974 2.676 20 30 GFEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130493766 654889620 /nfs/dbraw/zinc/88/96/20/654889620.db2.gz WHQSJJFMKBSDEU-PELKAZGASA-N 0 3 398.275 2.950 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)cn1 ZINC000107574926 655122580 /nfs/dbraw/zinc/12/25/80/655122580.db2.gz SIZKAULWAXOWJB-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000177551763 655281197 /nfs/dbraw/zinc/28/11/97/655281197.db2.gz OWPBTSOVOORGQO-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN CC(C)(C)c1csc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000576339635 655445968 /nfs/dbraw/zinc/44/59/68/655445968.db2.gz SYZCNGWPFROVGS-UHFFFAOYSA-N 0 3 377.535 2.918 20 30 GFEDHN N#Cc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000596906996 655517008 /nfs/dbraw/zinc/51/70/08/655517008.db2.gz JPXOKKYVCSTNBM-HNNXBMFYSA-N 0 3 393.285 2.696 20 30 GFEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)c(F)c1 ZINC000772984896 656396525 /nfs/dbraw/zinc/39/65/25/656396525.db2.gz PABBXOBGVIZYJK-JRELAMLQSA-N 0 3 382.233 2.765 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000796482445 658919603 /nfs/dbraw/zinc/91/96/03/658919603.db2.gz MKSCILZYTVCAIG-RHSMWYFYSA-N 0 3 384.929 2.550 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000815861337 660133166 /nfs/dbraw/zinc/13/31/66/660133166.db2.gz CSMGJGHFEGGPBU-UHFFFAOYSA-N 0 3 381.929 2.850 20 30 GFEDHN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842685012 661349140 /nfs/dbraw/zinc/34/91/40/661349140.db2.gz OPWDPZWWFVGBGG-YGRLFVJLSA-N 0 3 377.238 2.645 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNC[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000843086000 661367276 /nfs/dbraw/zinc/36/72/76/661367276.db2.gz ZBRFXEIOGDKZKI-CXAGYDPISA-N 0 3 381.259 2.928 20 30 GFEDHN CO[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1Br ZINC000847625343 661602490 /nfs/dbraw/zinc/60/24/90/661602490.db2.gz JIAJSXFZJGEYLN-XJKSGUPXSA-N 0 3 379.254 2.904 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@H](O)c1c(Cl)cccc1Cl ZINC000863561583 662336598 /nfs/dbraw/zinc/33/65/98/662336598.db2.gz GOGOUWNVRBTKEC-BBRMVZONSA-N 0 3 381.259 2.928 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000876597421 662863187 /nfs/dbraw/zinc/86/31/87/662863187.db2.gz YWISPJHWDIPLSD-CHWSQXEVSA-N 0 3 389.677 2.639 20 30 GFEDHN CN(Cc1ccc(F)cc1Br)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884334199 663069169 /nfs/dbraw/zinc/06/91/69/663069169.db2.gz KABHQGPNGPGHTD-UIORMTCPSA-N 0 3 380.261 2.686 20 30 GFEDHN CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286503 663088458 /nfs/dbraw/zinc/08/84/58/663088458.db2.gz FTHKMUAUFWFHSC-DTORHVGOSA-N 0 3 382.295 2.956 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CCC1 ZINC000886315745 663107973 /nfs/dbraw/zinc/10/79/73/663107973.db2.gz ZOUIALHTIMCQFN-NUJGCVRESA-N 0 3 379.298 2.834 20 30 GFEDHN C#CCN(C(=O)c1cc(OC)c(OC)cc1Br)C1CCN(C)CC1 ZINC000886575798 663114120 /nfs/dbraw/zinc/11/41/20/663114120.db2.gz LADOPWUUIRIWMO-UHFFFAOYSA-N 0 3 395.297 2.636 20 30 GFEDHN C#CCN(C(=O)c1ccc(C(F)(F)Br)nc1)C1CCN(C)CC1 ZINC000886573837 663114147 /nfs/dbraw/zinc/11/41/47/663114147.db2.gz YPJYUQYWXLMDDQ-UHFFFAOYSA-N 0 3 386.240 2.695 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cccn3ncc(Br)c23)CC1 ZINC000906596773 663960321 /nfs/dbraw/zinc/96/03/21/663960321.db2.gz HXMCUKITNIIYEZ-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN C=CCCC[C@H](N)C(=O)Nc1nc(C)c(C2N=NC(=S)N2CC=C)s1 ZINC000912214746 664276351 /nfs/dbraw/zinc/27/63/51/664276351.db2.gz NNKRISZTIOQIML-NSHDSACASA-N 0 3 378.527 2.807 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(F)cc1Br)C1CCN(C)CC1 ZINC000914332610 664400568 /nfs/dbraw/zinc/40/05/68/664400568.db2.gz ZTMREUJWKIMZSZ-UHFFFAOYSA-N 0 3 382.277 2.827 20 30 GFEDHN N#Cc1cc(CS(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000915089574 664420898 /nfs/dbraw/zinc/42/08/98/664420898.db2.gz DPSNAPNVVZBDRC-MRXNPFEDSA-N 0 3 375.519 2.561 20 30 GFEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916929842 664474591 /nfs/dbraw/zinc/47/45/91/664474591.db2.gz BPBIEIMGEUQUQC-LBPRGKRZSA-N 0 3 382.247 2.947 20 30 GFEDHN C#CCN(C(=O)NCc1cc(Br)cc(OC)c1)C1CCN(C)CC1 ZINC000926293204 664686949 /nfs/dbraw/zinc/68/69/49/664686949.db2.gz JXORVRBGERSTTA-UHFFFAOYSA-N 0 3 394.313 2.697 20 30 GFEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCOCC2)cc1Br ZINC000931381129 664793298 /nfs/dbraw/zinc/79/32/98/664793298.db2.gz WBNYOFHIWBWLCD-OAHLLOKOSA-N 0 3 393.285 2.696 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000932144361 664811189 /nfs/dbraw/zinc/81/11/89/664811189.db2.gz PNUWSFWMJHEMLT-QGZVFWFLSA-N 0 3 385.277 2.562 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000932144359 664811195 /nfs/dbraw/zinc/81/11/95/664811195.db2.gz PNUWSFWMJHEMLT-KRWDZBQOSA-N 0 3 385.277 2.562 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164763298 721197144 /nfs/dbraw/zinc/19/71/44/721197144.db2.gz FGRICAZYZUJFET-AZUAARDMSA-N 0 3 376.508 2.524 20 30 GFEDHN N#Cc1cc2c(nc1N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CCC2 ZINC001164981610 722140825 /nfs/dbraw/zinc/14/08/25/722140825.db2.gz PQFCDTHAYWZCOA-DENIHFKCSA-N 0 3 389.503 2.564 20 30 GFEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000101583516 551197158 /nfs/dbraw/zinc/19/71/58/551197158.db2.gz ZKQMPOSNZGFFKZ-AWEZNQCLSA-N 0 3 381.314 2.778 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174843943 552111558 /nfs/dbraw/zinc/11/15/58/552111558.db2.gz QJFSDVXXPGVTJL-UHFFFAOYSA-N 0 3 398.276 2.683 20 30 GFEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000175964538 552133412 /nfs/dbraw/zinc/13/34/12/552133412.db2.gz ZEBGASWAXKNRMH-HNNXBMFYSA-N 0 3 398.326 2.570 20 30 GFEDHN CN1CCN([C@@H]2CCCCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000182907390 552295717 /nfs/dbraw/zinc/29/57/17/552295717.db2.gz CQFNDBUBOZERMD-GOSISDBHSA-N 0 3 391.357 2.923 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccnc(C#N)c1 ZINC000192972287 552979253 /nfs/dbraw/zinc/97/92/53/552979253.db2.gz LCHWKZHULUYOFD-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(I)cc2OC)CC1 ZINC000295414595 563246887 /nfs/dbraw/zinc/24/68/87/563246887.db2.gz JQLVMYXZECWAFC-UHFFFAOYSA-N 0 3 398.244 2.584 20 30 GFEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000373178133 563331448 /nfs/dbraw/zinc/33/14/48/563331448.db2.gz GIMRJEGTIICBJP-HNNXBMFYSA-N 0 3 377.853 2.819 20 30 GFEDHN C[C@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029859 563373157 /nfs/dbraw/zinc/37/31/57/563373157.db2.gz RKBFLFFUJZMXPC-DSGZJRDPSA-N 0 3 381.567 2.772 20 30 GFEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761456 563423503 /nfs/dbraw/zinc/42/35/03/563423503.db2.gz VJXINFONVRGXNT-ABAIWWIYSA-N 0 3 375.416 2.538 20 30 GFEDHN CCN1CCC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000328871862 563467203 /nfs/dbraw/zinc/46/72/03/563467203.db2.gz DPHGLPOGEMGFHM-CYBMUJFWSA-N 0 3 396.285 2.615 20 30 GFEDHN CC(C(=O)NC[C@@H]1SCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330067406 563494831 /nfs/dbraw/zinc/49/48/31/563494831.db2.gz FNBRVMQZPXKUKW-DYVFJYSZSA-N 0 3 383.535 2.956 20 30 GFEDHN C[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000378311699 563502092 /nfs/dbraw/zinc/50/20/92/563502092.db2.gz HPIINDNVDAZBHW-RHSMWYFYSA-N 0 3 377.330 2.783 20 30 GFEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568355 563636052 /nfs/dbraw/zinc/63/60/52/563636052.db2.gz PHWLDDLALUHXQE-CJNGLKHVSA-N 0 3 392.297 2.642 20 30 GFEDHN C=CCNC(=O)[C@@H](C)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293542615 563817984 /nfs/dbraw/zinc/81/79/84/563817984.db2.gz KKYYTRRURVQESI-CYBMUJFWSA-N 0 3 399.304 2.960 20 30 GFEDHN C[C@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449926613 564209854 /nfs/dbraw/zinc/20/98/54/564209854.db2.gz MNXXCNQWGOVSLW-GXTWGEPZSA-N 0 3 380.286 2.641 20 30 GFEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(Br)cc1C(F)(F)F ZINC000564849527 564252869 /nfs/dbraw/zinc/25/28/69/564252869.db2.gz MXTZYUWRSLKHFN-CYBMUJFWSA-N 0 3 394.235 2.764 20 30 GFEDHN Cc1ccc(SC[C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000566131704 564311824 /nfs/dbraw/zinc/31/18/24/564311824.db2.gz ONICQBKFXCSJHZ-OAHLLOKOSA-N 0 3 375.519 2.806 20 30 GFEDHN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000567806368 564389830 /nfs/dbraw/zinc/38/98/30/564389830.db2.gz BTOZLXUCEAEBPF-RHSMWYFYSA-N 0 3 393.329 2.675 20 30 GFEDHN N#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)c(F)c1 ZINC000571016203 564531436 /nfs/dbraw/zinc/53/14/36/564531436.db2.gz LLXXCBVOHDAYCI-UHFFFAOYSA-N 0 3 391.244 2.725 20 30 GFEDHN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCCn1cnc(C#N)n1 ZINC000552341724 564687331 /nfs/dbraw/zinc/68/73/31/564687331.db2.gz UROYSTPVAAZBHV-MEBBXXQBSA-N 0 3 378.299 2.985 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000559759259 564939657 /nfs/dbraw/zinc/93/96/57/564939657.db2.gz OYBJMXKQJFPAJS-CQSZACIVSA-N 0 3 383.945 2.764 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000584774725 565097448 /nfs/dbraw/zinc/09/74/48/565097448.db2.gz NQEOSGMETQHUJA-OAHLLOKOSA-N 0 3 380.286 2.592 20 30 GFEDHN C=CCN(C[C@H](O)COc1cc(F)cc(Br)c1)[C@H](C)COC ZINC000661240895 565316160 /nfs/dbraw/zinc/31/61/60/565316160.db2.gz SQISXJCWADOUBM-DOMZBBRYSA-N 0 3 376.266 2.851 20 30 GFEDHN N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000593536292 565339272 /nfs/dbraw/zinc/33/92/72/565339272.db2.gz PYXZRBNMIQLKMI-INIZCTEOSA-N 0 3 375.519 2.810 20 30 GFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562027 565341652 /nfs/dbraw/zinc/34/16/52/565341652.db2.gz QZPDXCQNJCYBKC-GOEBONIOSA-N 0 3 375.519 2.809 20 30 GFEDHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594425405 565384094 /nfs/dbraw/zinc/38/40/94/565384094.db2.gz IJBAVAIYSBHJAK-CQSZACIVSA-N 0 3 395.301 2.566 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000595256980 565458867 /nfs/dbraw/zinc/45/88/67/565458867.db2.gz YTUAPSZJFFWPQN-JKSUJKDBSA-N 0 3 380.286 2.760 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COCCN2C)cc1OCC ZINC000623710594 565526725 /nfs/dbraw/zinc/52/67/25/565526725.db2.gz IJBCFPBPKXBFSK-OAHLLOKOSA-N 0 3 399.329 2.833 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H]2COCCN2C)cc1OCC ZINC000623710593 565527150 /nfs/dbraw/zinc/52/71/50/565527150.db2.gz IJBCFPBPKXBFSK-HNNXBMFYSA-N 0 3 399.329 2.833 20 30 GFEDHN Cc1cc(N2CC[C@H](NC[C@H](O)CC(C)(C)C#N)C2=O)ccc1Br ZINC000598725798 565637371 /nfs/dbraw/zinc/63/73/71/565637371.db2.gz ZYDIEBHTYSECPE-ZBFHGGJFSA-N 0 3 394.313 2.753 20 30 GFEDHN C[C@@](CO)(NC[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000599435522 565679537 /nfs/dbraw/zinc/67/95/37/565679537.db2.gz XDIAIBJGZPKSKN-IRXDYDNUSA-N 0 3 387.307 2.862 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599790880 565702776 /nfs/dbraw/zinc/70/27/76/565702776.db2.gz LUMIQWRCBWWUHL-YUELXQCFSA-N 0 3 379.507 2.874 20 30 GFEDHN COc1ccc(C[C@H](CO)CNCc2cccc(C#N)n2)cc1Br ZINC000602681626 565862790 /nfs/dbraw/zinc/86/27/90/565862790.db2.gz DCZMPXMWYSFNPH-AWEZNQCLSA-N 0 3 390.281 2.665 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000819722175 607427242 /nfs/dbraw/zinc/42/72/42/607427242.db2.gz ARDBENZQQRIWFA-UHFFFAOYSA-N 0 3 399.499 2.816 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000819722175 607427245 /nfs/dbraw/zinc/42/72/45/607427245.db2.gz ARDBENZQQRIWFA-UHFFFAOYSA-N 0 3 399.499 2.816 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826378834 608494696 /nfs/dbraw/zinc/49/46/96/608494696.db2.gz BKPQMTJUTUYWKW-CYBMUJFWSA-N 0 3 388.416 2.631 20 30 GFEDHN Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826237156 609575147 /nfs/dbraw/zinc/57/51/47/609575147.db2.gz QANHOMHNLWGZNM-UHFFFAOYSA-N 0 3 396.886 2.663 20 30 GFEDHN Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826237156 609575149 /nfs/dbraw/zinc/57/51/49/609575149.db2.gz QANHOMHNLWGZNM-UHFFFAOYSA-N 0 3 396.886 2.663 20 30 GFEDHN N#CC(C(=O)CSCc1ccc(Br)cc1F)C(=O)NC1CC1 ZINC000127660214 654833682 /nfs/dbraw/zinc/83/36/82/654833682.db2.gz PNRSNJYGBXGNOK-GFCCVEGCSA-N 0 3 385.258 2.809 20 30 GFEDHN C[C@@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127831586 654835441 /nfs/dbraw/zinc/83/54/41/654835441.db2.gz BYZTZYWTODTVMJ-LBPRGKRZSA-N 0 3 399.925 2.760 20 30 GFEDHN C=C(Br)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068589610 654965986 /nfs/dbraw/zinc/96/59/86/654965986.db2.gz ZBZLTJGVGRGNOG-UHFFFAOYSA-N 0 3 376.245 2.947 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2CC)CC1 ZINC000268829995 654988282 /nfs/dbraw/zinc/98/82/82/654988282.db2.gz VVQKCIOQJCOKJL-UHFFFAOYSA-N 0 3 394.313 2.717 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272858243 655123439 /nfs/dbraw/zinc/12/34/39/655123439.db2.gz MITKRTQFUMAOHX-LBPRGKRZSA-N 0 3 378.416 2.613 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(C)cc(Br)cc2C)CC1 ZINC000173271934 655166281 /nfs/dbraw/zinc/16/62/81/655166281.db2.gz YILPEARFLZTMAU-UHFFFAOYSA-N 0 3 394.313 2.771 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)n1 ZINC000173898723 655184113 /nfs/dbraw/zinc/18/41/13/655184113.db2.gz UFFALQJPPKYVON-HNNXBMFYSA-N 0 3 375.475 2.790 20 30 GFEDHN N#CC(C(=O)CCc1nc2cc(Br)ccc2s1)C(=O)NC1CC1 ZINC000173973439 655187793 /nfs/dbraw/zinc/18/77/93/655187793.db2.gz AZFDXOMLSZVDPA-NSHDSACASA-N 0 3 392.278 2.979 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000250419715 655434914 /nfs/dbraw/zinc/43/49/14/655434914.db2.gz CBQUKWSRDRZGEU-ARFHVFGLSA-N 0 3 393.281 2.804 20 30 GFEDHN C#CCNC(=O)CCN(Cc1cc(Br)ccc1OCC)C1CC1 ZINC000815037516 660105739 /nfs/dbraw/zinc/10/57/39/660105739.db2.gz NHPVARKPDRDDRV-UHFFFAOYSA-N 0 3 379.298 2.952 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000854662979 661946510 /nfs/dbraw/zinc/94/65/10/661946510.db2.gz ROCBCEOBOHVEKT-UHFFFAOYSA-N 0 3 381.167 2.690 20 30 GFEDHN N#Cc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(Br)c1 ZINC000882815988 663042989 /nfs/dbraw/zinc/04/29/89/663042989.db2.gz WBUJWXVRVNPXAN-UHFFFAOYSA-N 0 3 391.313 2.631 20 30 GFEDHN C#CCN(C(=O)c1cnn(C(C)(C)C)c1Br)C1CCN(C)CC1 ZINC000886573692 663114067 /nfs/dbraw/zinc/11/40/67/663114067.db2.gz SCMDSLYJBRZKRS-UHFFFAOYSA-N 0 3 381.318 2.570 20 30 GFEDHN C#CCN(C(=O)[C@@H](OC)c1ccc(Br)s1)C1CCN(C)CC1 ZINC000886572701 663114073 /nfs/dbraw/zinc/11/40/73/663114073.db2.gz XGTPTOZBNSJZAA-HNNXBMFYSA-N 0 3 385.327 2.754 20 30 GFEDHN C#CCN(C(=O)Cc1c(F)ccc(Br)c1F)C1CCN(C)CC1 ZINC000886575972 663114168 /nfs/dbraw/zinc/11/41/68/663114168.db2.gz RPCXDMNNLRREFQ-UHFFFAOYSA-N 0 3 385.252 2.826 20 30 GFEDHN C#CCN(C(=O)NCCc1ccc(Br)s1)C1CCN(C)CC1 ZINC000913979748 664370293 /nfs/dbraw/zinc/37/02/93/664370293.db2.gz GMUKJNBHEGWZCL-UHFFFAOYSA-N 0 3 384.343 2.792 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cnn3cccc(Br)c23)CC1 ZINC000932142968 664810977 /nfs/dbraw/zinc/81/09/77/664810977.db2.gz KZMCXPXFHMNDTN-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN N#Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164981776 722102975 /nfs/dbraw/zinc/10/29/75/722102975.db2.gz MJMMQWYZORIVIT-LPHOPBHVSA-N 0 3 383.883 2.729 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000176285286 552137491 /nfs/dbraw/zinc/13/74/91/552137491.db2.gz FPKJMMLVLOTMIT-UHFFFAOYSA-N 0 3 390.281 2.671 20 30 GFEDHN C[C@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119514 552354558 /nfs/dbraw/zinc/35/45/58/552354558.db2.gz UBQCBJCACAXHBE-SHZVTRLKSA-N 0 3 381.567 2.916 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncccc1Br ZINC000192760721 552972984 /nfs/dbraw/zinc/97/29/84/552972984.db2.gz WXXMUFOOGWMMHO-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CSCC#N ZINC000425096560 563404805 /nfs/dbraw/zinc/40/48/05/563404805.db2.gz FSRIJRRRIJIFLN-UHFFFAOYSA-N 0 3 385.331 2.642 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 ZINC000278732434 563268343 /nfs/dbraw/zinc/26/83/43/563268343.db2.gz VWMFFXINFPHVOS-LLVKDONJSA-N 0 3 378.479 2.886 20 30 GFEDHN CCS(=O)(=O)NCCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371835760 563288777 /nfs/dbraw/zinc/28/87/77/563288777.db2.gz VHXDEPWLMOZIGF-CYBMUJFWSA-N 0 3 378.523 2.662 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000424110492 563371055 /nfs/dbraw/zinc/37/10/55/563371055.db2.gz CZKSARNKFNKGJW-SNVBAGLBSA-N 0 3 379.148 2.529 20 30 GFEDHN CN1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000377389582 563472780 /nfs/dbraw/zinc/47/27/80/563472780.db2.gz NCTXWMBTYCOBIW-SJLPKXTDSA-N 0 3 375.519 2.732 20 30 GFEDHN O=C(NCC1CCN(CCO)CC1)c1c(F)cc(Br)cc1F ZINC000330485509 563508296 /nfs/dbraw/zinc/50/82/96/563508296.db2.gz BMQIBKFJMMQHIQ-UHFFFAOYSA-N 0 3 377.229 2.736 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429283083 563512979 /nfs/dbraw/zinc/51/29/79/563512979.db2.gz FLNLEXVGALCRGC-OAHLLOKOSA-N 0 3 380.286 2.674 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330829395 563523109 /nfs/dbraw/zinc/52/31/09/563523109.db2.gz TUUMHAAZQZQCIJ-NWDGAFQWSA-N 0 3 378.420 2.546 20 30 GFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000330968575 563529499 /nfs/dbraw/zinc/52/94/99/563529499.db2.gz ITBRNARXNYVEMF-LBPRGKRZSA-N 0 3 387.933 2.951 20 30 GFEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007818 563541371 /nfs/dbraw/zinc/54/13/71/563541371.db2.gz JLKMGXVNAKLVLH-STQMWFEESA-N 0 3 398.326 2.568 20 30 GFEDHN CN1CCC[C@@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000416561007 563848461 /nfs/dbraw/zinc/84/84/61/563848461.db2.gz SSRJULGZIJMWMX-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCc1cc(CNCCn2cc(Br)ccc2=O)cc(OC)c1O ZINC000449378994 564183168 /nfs/dbraw/zinc/18/31/68/564183168.db2.gz SAXIOTUQDXQGNF-UHFFFAOYSA-N 0 3 393.281 2.843 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000508827669 564274194 /nfs/dbraw/zinc/27/41/94/564274194.db2.gz MXRFILSZWQUEGG-HNNXBMFYSA-N 0 3 393.333 2.998 20 30 GFEDHN N#CCc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c(Cl)c1 ZINC000451274790 564294293 /nfs/dbraw/zinc/29/42/93/564294293.db2.gz XSCXAXNIZGGAQU-MRXNPFEDSA-N 0 3 381.929 2.949 20 30 GFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451686520 564340493 /nfs/dbraw/zinc/34/04/93/564340493.db2.gz GGSPGWQLGXIALH-UKRRQHHQSA-N 0 3 392.297 2.785 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@]2(C)CCC(=O)N2)cc1OC ZINC000453596118 564459454 /nfs/dbraw/zinc/45/94/54/564459454.db2.gz ZLMNPOIFDZZPIQ-KRWDZBQOSA-N 0 3 383.286 2.781 20 30 GFEDHN CC(C#N)C(=O)N1Cc2cc(Br)c(NC(=O)[C@@H](C)C#N)cc2C1 ZINC000480803493 564488950 /nfs/dbraw/zinc/48/89/50/564488950.db2.gz UNWNJIDYYINMMQ-VHSXEESVSA-N 0 3 375.226 2.549 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCN(CCOC)C2)cc1OC ZINC000520230867 564599623 /nfs/dbraw/zinc/59/96/23/564599623.db2.gz DWVOVGFYSCKEHP-OAHLLOKOSA-N 0 3 399.329 2.833 20 30 GFEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000550434966 564624060 /nfs/dbraw/zinc/62/40/60/564624060.db2.gz CVPAQCPXYNHGRF-OAHLLOKOSA-N 0 3 398.326 2.570 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2nc3c(cccc3Br)[nH]2)CC1 ZINC000458335253 564698903 /nfs/dbraw/zinc/69/89/03/564698903.db2.gz NNZYKTAVDWTCTR-UHFFFAOYSA-N 0 3 392.301 2.775 20 30 GFEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487960369 564700061 /nfs/dbraw/zinc/70/00/61/564700061.db2.gz TWXDYMVQIRFZGB-HNNXBMFYSA-N 0 3 395.301 2.895 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000576271519 564711276 /nfs/dbraw/zinc/71/12/76/564711276.db2.gz DRCBLNCHFMSDPZ-NVXWUHKLSA-N 0 3 380.330 2.868 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000580515722 564761525 /nfs/dbraw/zinc/76/15/25/564761525.db2.gz PZPGFCOZYQYHCX-CQSZACIVSA-N 0 3 392.297 2.786 20 30 GFEDHN N#Cc1cnn2cc(CN[C@@H]3CCN(c4ccc(Br)cc4)C3)cnc12 ZINC000560335260 564957754 /nfs/dbraw/zinc/95/77/54/564957754.db2.gz ZKQAIMCDQKUEBP-MRXNPFEDSA-N 0 3 397.280 2.732 20 30 GFEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)CC(F)(F)F ZINC000470024038 565035559 /nfs/dbraw/zinc/03/55/59/565035559.db2.gz HSNUHMLFEBYTHT-CYBMUJFWSA-N 0 3 378.464 2.898 20 30 GFEDHN CC[C@H](CN1CCCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000590667776 565196187 /nfs/dbraw/zinc/19/61/87/565196187.db2.gz FNWFUUUGNVZELG-CQSZACIVSA-N 0 3 380.286 2.690 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N1CCN(C2CCCC2)CC1 ZINC000593399498 565329144 /nfs/dbraw/zinc/32/91/44/565329144.db2.gz PAYURCUPUIOMIR-UHFFFAOYSA-N 0 3 376.298 2.950 20 30 GFEDHN CCC(C#N)C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000593497303 565336909 /nfs/dbraw/zinc/33/69/09/565336909.db2.gz UPDWKKMNMQCPQV-ZUZCIYMTSA-N 0 3 392.253 2.680 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000645266753 565518850 /nfs/dbraw/zinc/51/88/50/565518850.db2.gz YTTSUEYURLWQQT-UHFFFAOYSA-N 0 3 398.301 2.613 20 30 GFEDHN CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCN(CC)C1 ZINC000598040242 565589286 /nfs/dbraw/zinc/58/92/86/565589286.db2.gz NXMQLUYVLJIXGT-AWEZNQCLSA-N 0 3 380.286 2.642 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600471010 565731600 /nfs/dbraw/zinc/73/16/00/565731600.db2.gz QRHDKFNURMNQJU-QGZVFWFLSA-N 0 3 376.298 2.996 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000600720873 565747079 /nfs/dbraw/zinc/74/70/79/565747079.db2.gz RHDJIBBHHSABPC-HOCLYGCPSA-N 0 3 395.297 2.934 20 30 GFEDHN N#Cc1cc(Br)ccc1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603422351 565904730 /nfs/dbraw/zinc/90/47/30/565904730.db2.gz GPXUQFPQUJDGGO-KRWDZBQOSA-N 0 3 393.329 2.529 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553625 609139518 /nfs/dbraw/zinc/13/95/18/609139518.db2.gz DTUYMXWVEXTWGZ-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553625 609139520 /nfs/dbraw/zinc/13/95/20/609139520.db2.gz DTUYMXWVEXTWGZ-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN C=CC[N@@H+](CCc1ccco1)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000823909351 609426667 /nfs/dbraw/zinc/42/66/67/609426667.db2.gz AEQJOLJXMZLHMK-UHFFFAOYSA-N 0 3 390.451 2.715 20 30 GFEDHN C=CC[N@H+](CCc1ccco1)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000823909351 609426669 /nfs/dbraw/zinc/42/66/69/609426669.db2.gz AEQJOLJXMZLHMK-UHFFFAOYSA-N 0 3 390.451 2.715 20 30 GFEDHN C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CCN(CCOC)C2)s1 ZINC000819252181 660252091 /nfs/dbraw/zinc/25/20/91/660252091.db2.gz OVCGUWMTVKLTBF-CYBMUJFWSA-N 0 3 389.974 2.676 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000267133907 654912715 /nfs/dbraw/zinc/91/27/15/654912715.db2.gz FLDLNURNYCDNKG-CQSZACIVSA-N 0 3 379.298 2.678 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000271072208 655065907 /nfs/dbraw/zinc/06/59/07/655065907.db2.gz OLMKDBQXMHFHND-QGZVFWFLSA-N 0 3 396.329 2.822 20 30 GFEDHN N#CC(C(=O)CCc1nc2cc(Br)ccc2s1)C(=O)NC1CC1 ZINC000173973430 655187834 /nfs/dbraw/zinc/18/78/34/655187834.db2.gz AZFDXOMLSZVDPA-LLVKDONJSA-N 0 3 392.278 2.979 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccnc1C#N ZINC000277054408 655300607 /nfs/dbraw/zinc/30/06/07/655300607.db2.gz QOFFNPKSKONRFK-UHFFFAOYSA-N 0 3 378.523 2.547 20 30 GFEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000179457637 655313647 /nfs/dbraw/zinc/31/36/47/655313647.db2.gz CHYFRUYUSIKVHK-CQSZACIVSA-N 0 3 379.254 2.768 20 30 GFEDHN C=CCN1CCN(CNC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000839966802 661120896 /nfs/dbraw/zinc/12/08/96/661120896.db2.gz IRTBVTZAWOTAEN-UHFFFAOYSA-N 0 3 394.313 2.926 20 30 GFEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000730919442 655579409 /nfs/dbraw/zinc/57/94/09/655579409.db2.gz DFRWOVMDEITHLG-LBPRGKRZSA-N 0 3 389.260 2.937 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000755152964 655880416 /nfs/dbraw/zinc/88/04/16/655880416.db2.gz XFGIEOGOFCMKSN-ZDUSSCGKSA-N 0 3 381.289 2.981 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)C(=O)Cc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000774261506 656510582 /nfs/dbraw/zinc/51/05/82/656510582.db2.gz ZWNYGFPZDLAGIR-YGRLFVJLSA-N 0 3 379.247 2.856 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@]1(N2CCOCC2)CCSC1 ZINC000778158747 656869059 /nfs/dbraw/zinc/86/90/59/656869059.db2.gz DZECJASTSFZZQC-LJQANCHMSA-N 0 3 380.941 2.650 20 30 GFEDHN N#Cc1ccc([C@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795347492 658809173 /nfs/dbraw/zinc/80/91/73/658809173.db2.gz BYMYHUGPEJPLDR-DLBZAZTESA-N 0 3 379.229 2.816 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000876552125 662862740 /nfs/dbraw/zinc/86/27/40/662862740.db2.gz JZAGXXGYMAMHKM-CYBMUJFWSA-N 0 3 394.324 2.779 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000876611831 662863418 /nfs/dbraw/zinc/86/34/18/662863418.db2.gz STNFSORQZWDHTB-CYBMUJFWSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000876877111 662867526 /nfs/dbraw/zinc/86/75/26/662867526.db2.gz NTBXDAGEBMGCQG-LLVKDONJSA-N 0 3 377.666 2.883 20 30 GFEDHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283581 663088269 /nfs/dbraw/zinc/08/82/69/663088269.db2.gz KGOHBHUSKFXPAU-YIZRAAEISA-N 0 3 382.295 2.956 20 30 GFEDHN Cc1cc(Br)c(N2CCC(N3CCN(C)CC3)CC2)c(C#N)c1 ZINC000895027667 663496095 /nfs/dbraw/zinc/49/60/95/663496095.db2.gz IHMGWBPWROHFFD-UHFFFAOYSA-N 0 3 377.330 2.845 20 30 GFEDHN C[C@@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000934496447 664908848 /nfs/dbraw/zinc/90/88/48/664908848.db2.gz BGJNTUPCQRCLMU-MSOLQXFVSA-N 0 3 375.266 2.851 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)ncc2C#N)c2c1CCNC2 ZINC001164681313 719625821 /nfs/dbraw/zinc/62/58/21/719625821.db2.gz GTQKBFBXAUDLJT-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN N#Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985217 722098736 /nfs/dbraw/zinc/09/87/36/722098736.db2.gz VPAKCSLSLMXSJT-ROUUACIJSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1cnc2cc[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c1-2 ZINC001164983348 722135884 /nfs/dbraw/zinc/13/58/84/722135884.db2.gz UNHMSIBMRQNQNQ-PXNSSMCTSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000120745551 551221791 /nfs/dbraw/zinc/22/17/91/551221791.db2.gz SYFVZJCRHAHWNO-LBPRGKRZSA-N 0 3 398.937 2.993 20 30 GFEDHN C=CCN1CCC(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000171697179 551661738 /nfs/dbraw/zinc/66/17/38/551661738.db2.gz MADBIEWYDNHCEO-UHFFFAOYSA-N 0 3 385.295 2.882 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c(Cl)c1 ZINC000180185612 552216983 /nfs/dbraw/zinc/21/69/83/552216983.db2.gz MABKRHTZRJWVEY-PBHICJAKSA-N 0 3 379.913 2.849 20 30 GFEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Br)c1 ZINC000180878550 552238854 /nfs/dbraw/zinc/23/88/54/552238854.db2.gz BELASGQRWDZZMY-JRELAMLQSA-N 0 3 382.233 2.765 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000183909805 552322575 /nfs/dbraw/zinc/32/25/75/552322575.db2.gz JLNIKQVLGUHOQV-QGZVFWFLSA-N 0 3 388.265 2.973 20 30 GFEDHN C[C@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119552 552354602 /nfs/dbraw/zinc/35/46/02/552354602.db2.gz UBQCBJCACAXHBE-YMXBGEKHSA-N 0 3 381.567 2.916 20 30 GFEDHN CN1CCN([C@H]2CCCCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000191814299 552538745 /nfs/dbraw/zinc/53/87/45/552538745.db2.gz DGZUBJIDVZNCAQ-SFHVURJKSA-N 0 3 391.357 2.923 20 30 GFEDHN CS[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1N1CCCC1 ZINC000296139779 563275973 /nfs/dbraw/zinc/27/59/73/563275973.db2.gz XBRWJSFHNIGWQJ-JKSUJKDBSA-N 0 3 394.338 2.973 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000329962476 563492649 /nfs/dbraw/zinc/49/26/49/563492649.db2.gz PGLODLMUTOOFSH-HUUCEWRRSA-N 0 3 395.301 2.771 20 30 GFEDHN CN(C)[C@]1(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CCSC1 ZINC000330033812 563493750 /nfs/dbraw/zinc/49/37/50/563493750.db2.gz AMZMTINZLCJUKX-QAPCUYQASA-N 0 3 381.567 2.675 20 30 GFEDHN CSc1cc2c(cc1NC(=O)NC[C@@]1(N(C)C)CCSC1)OCCO2 ZINC000330101720 563495154 /nfs/dbraw/zinc/49/51/54/563495154.db2.gz FQPFOPIBNJLYFX-KRWDZBQOSA-N 0 3 383.539 2.943 20 30 GFEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408395002 563553593 /nfs/dbraw/zinc/55/35/93/563553593.db2.gz LMIXHVOBVVCMJS-ZIAGYGMSSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000286800232 563575371 /nfs/dbraw/zinc/57/53/71/563575371.db2.gz SUCSILRRSFTCQE-WFASDCNBSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000286800229 563575751 /nfs/dbraw/zinc/57/57/51/563575751.db2.gz SUCSILRRSFTCQE-DOMZBBRYSA-N 0 3 398.326 2.568 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSC(F)(F)F)cc1 ZINC000287170868 563590608 /nfs/dbraw/zinc/59/06/08/563590608.db2.gz NFLZUERLYDBHIO-VIFPVBQESA-N 0 3 381.401 2.747 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C#N)ccn1 ZINC000288357566 563639487 /nfs/dbraw/zinc/63/94/87/563639487.db2.gz WONAZSMTFWSWNQ-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN N#Cc1ccc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c(Br)c1 ZINC000411965257 563642745 /nfs/dbraw/zinc/64/27/45/563642745.db2.gz JYWJOERKUJEQRN-IBGZPJMESA-N 0 3 384.277 2.950 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CCC(O)CC2)cc1OC ZINC000449646869 564193624 /nfs/dbraw/zinc/19/36/24/564193624.db2.gz OREXGEUWRIGXEF-UHFFFAOYSA-N 0 3 399.329 2.569 20 30 GFEDHN C[C@H]1CCCCN1CCNC(=O)COc1cccc(Br)c1C#N ZINC000449636212 564193746 /nfs/dbraw/zinc/19/37/46/564193746.db2.gz ZMUZELRJXNSVLX-ZDUSSCGKSA-N 0 3 380.286 2.690 20 30 GFEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000450121309 564218063 /nfs/dbraw/zinc/21/80/63/564218063.db2.gz IVTRBIILLZURTE-OKILXGFUSA-N 0 3 394.313 2.940 20 30 GFEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1N1CCCC1 ZINC000450582153 564239482 /nfs/dbraw/zinc/23/94/82/564239482.db2.gz RPHKOGWTHCNGNG-CABCVRRESA-N 0 3 394.338 2.973 20 30 GFEDHN CN(C)C(=O)[C@H]1CCCN1CCCNc1cc(Br)c(C#N)cc1F ZINC000565221643 564270913 /nfs/dbraw/zinc/27/09/13/564270913.db2.gz MAAZMQMXAZSUGB-MRXNPFEDSA-N 0 3 397.292 2.814 20 30 GFEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000509526050 564303398 /nfs/dbraw/zinc/30/33/98/564303398.db2.gz PUCFXQGBLJQUCK-GFCCVEGCSA-N 0 3 381.860 2.980 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000451598942 564330083 /nfs/dbraw/zinc/33/00/83/564330083.db2.gz MJZRLTOSQCIVOZ-GDLCADMTSA-N 0 3 386.233 2.551 20 30 GFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc(Br)c1C#N ZINC000451687936 564339886 /nfs/dbraw/zinc/33/98/86/564339886.db2.gz ITBCGLGEYKZBGY-KGLIPLIRSA-N 0 3 392.297 2.785 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882203 564362341 /nfs/dbraw/zinc/36/23/41/564362341.db2.gz CJCHLUYAVOIHAO-NHYWBVRUSA-N 0 3 375.778 2.785 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cc(Cl)cc(Cl)c2)nc1 ZINC000568741250 564432229 /nfs/dbraw/zinc/43/22/29/564432229.db2.gz PWPKYDHSQXISFP-UHFFFAOYSA-N 0 3 384.288 2.866 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)CCNCCSCc2ccccc2F)c1 ZINC000572632274 564603722 /nfs/dbraw/zinc/60/37/22/564603722.db2.gz WYCDPLCMJREPQE-UHFFFAOYSA-N 0 3 378.494 2.994 20 30 GFEDHN COc1cc(CNC[C@H](O)COc2ccc(Br)cc2)ccc1C#N ZINC000573237950 564629417 /nfs/dbraw/zinc/62/94/17/564629417.db2.gz GZKNZIPOOHXVKD-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H](C(=O)NC)C(C)C)cc1OC ZINC000486811250 564667545 /nfs/dbraw/zinc/66/75/45/564667545.db2.gz LALBSCWIEOUYME-HNNXBMFYSA-N 0 3 385.302 2.883 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000574392798 564671818 /nfs/dbraw/zinc/67/18/18/564671818.db2.gz HCZWNFBJAABJLX-OCCSQVGLSA-N 0 3 375.416 2.685 20 30 GFEDHN CC1CCN(C[C@H](O)CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487901144 564698809 /nfs/dbraw/zinc/69/88/09/564698809.db2.gz UYTKFVBXESZPMK-OAHLLOKOSA-N 0 3 395.301 2.535 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000582514572 564849965 /nfs/dbraw/zinc/84/99/65/564849965.db2.gz MEZODZXZPYCMKA-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CCN2C2CCCC2)cc1Br ZINC000530024014 564860437 /nfs/dbraw/zinc/86/04/37/564860437.db2.gz ZTZHRLWFUFTAAI-HNNXBMFYSA-N 0 3 392.297 2.833 20 30 GFEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC2(O)CCCC2)CC1 ZINC000501045743 564968292 /nfs/dbraw/zinc/96/82/92/564968292.db2.gz KCDAGGUFQPQNLK-KRWDZBQOSA-N 0 3 378.314 2.936 20 30 GFEDHN C=CCN1CC[C@H](NC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000685002617 565092437 /nfs/dbraw/zinc/09/24/37/565092437.db2.gz YZGFMAAODZKJCY-INIZCTEOSA-N 0 3 379.298 2.831 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCCNC2=O)cc1OC ZINC000657287934 565096221 /nfs/dbraw/zinc/09/62/21/565096221.db2.gz JAPMDHYQYARVDR-ZDUSSCGKSA-N 0 3 383.286 2.638 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000594445230 565385551 /nfs/dbraw/zinc/38/55/51/565385551.db2.gz INYJUEHJLGWTHD-CABCVRRESA-N 0 3 383.279 2.626 20 30 GFEDHN CCC(C#N)C(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600358303 565726194 /nfs/dbraw/zinc/72/61/94/565726194.db2.gz WIRQKNKCZBBRON-DIFFPNOSSA-N 0 3 379.254 2.516 20 30 GFEDHN N#CC1(C[C@@H](O)CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000600734386 565746777 /nfs/dbraw/zinc/74/67/77/565746777.db2.gz OPDKYWBIZUWURC-MRXNPFEDSA-N 0 3 375.270 2.779 20 30 GFEDHN COc1ccc(Br)cc1C[C@@H](CO)CNCc1cccc(C#N)n1 ZINC000602682913 565862103 /nfs/dbraw/zinc/86/21/03/565862103.db2.gz UJPJGFUUOTYIKN-CYBMUJFWSA-N 0 3 390.281 2.665 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@@H](C)N1CC#N ZINC000602865022 565871493 /nfs/dbraw/zinc/87/14/93/565871493.db2.gz SAZBROJQSZOMAK-ZIAGYGMSSA-N 0 3 379.302 2.696 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1Cl ZINC000602987301 565878331 /nfs/dbraw/zinc/87/83/31/565878331.db2.gz BIQXQCNAKDOYTA-WCQYABFASA-N 0 3 375.778 2.643 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCc2ccnc(Cl)c2)cc1 ZINC000819203361 660250163 /nfs/dbraw/zinc/25/01/63/660250163.db2.gz XQAACPDQWIKMME-UHFFFAOYSA-N 0 3 395.937 2.903 20 30 GFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Br)n(C)n1 ZINC000835063389 660840044 /nfs/dbraw/zinc/84/00/44/660840044.db2.gz XVNNUVKWHLRSNP-JTQLQIEISA-N 0 3 391.225 2.542 20 30 GFEDHN C#CCN(C)CCCNC(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000836398448 660903688 /nfs/dbraw/zinc/90/36/88/660903688.db2.gz KOQTYZITVCCKGD-UHFFFAOYSA-N 0 3 377.286 2.685 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccccc2-n2cc(Br)cn2)CC1 ZINC000122475051 654738557 /nfs/dbraw/zinc/73/85/57/654738557.db2.gz ACQXKKNYBAOFRU-UHFFFAOYSA-N 0 3 387.281 2.919 20 30 GFEDHN C#CCN1CCC(C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000129590717 654868319 /nfs/dbraw/zinc/86/83/19/654868319.db2.gz QVKREZXMXKUKNW-UHFFFAOYSA-N 0 3 375.310 2.942 20 30 GFEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130492689 654889571 /nfs/dbraw/zinc/88/95/71/654889571.db2.gz VZCGAWKGYDZIME-AWEZNQCLSA-N 0 3 382.247 2.947 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccncc1Br ZINC000132373491 654935842 /nfs/dbraw/zinc/93/58/42/654935842.db2.gz AWYAXUQJCBVAMT-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)n1 ZINC000136486650 655032165 /nfs/dbraw/zinc/03/21/65/655032165.db2.gz GJSNSDQAKJVPPJ-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCN([C@@H]3CCSC3)CC2)cc1Cl ZINC000365861579 655395814 /nfs/dbraw/zinc/39/58/14/655395814.db2.gz DLUBRLOCWDYJQJ-MRXNPFEDSA-N 0 3 378.929 2.663 20 30 GFEDHN N#CC(C(=O)COc1ccc(Br)cc1Cl)C(=O)N1CCCC1 ZINC000193354590 655409759 /nfs/dbraw/zinc/40/97/59/655409759.db2.gz VOAXHUHCCUXWOJ-NSHDSACASA-N 0 3 385.645 2.813 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)C(=O)CCn1ccnn1)c1ccc(Cl)cc1Cl ZINC000802218517 659456563 /nfs/dbraw/zinc/45/65/63/659456563.db2.gz DNLKXCXJLRAJEY-MFKMUULPSA-N 0 3 380.235 2.561 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](CO)c1cccnc1 ZINC000808430954 659894186 /nfs/dbraw/zinc/89/41/86/659894186.db2.gz MOEMGFDVYPCADB-INIZCTEOSA-N 0 3 375.266 2.722 20 30 GFEDHN Cn1nc(Br)c2c1ncnc2N=NC1CCCN2CCCC[C@@H]12 ZINC000848403938 661645762 /nfs/dbraw/zinc/64/57/62/661645762.db2.gz FXZHDUMKWABENA-NSHDSACASA-N 0 3 378.278 2.542 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(I)cc2F)CC1 ZINC000855556260 661997564 /nfs/dbraw/zinc/99/75/64/661997564.db2.gz SNXUBZPXJZOPJE-UHFFFAOYSA-N 0 3 386.208 2.714 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000857852393 662092178 /nfs/dbraw/zinc/09/21/78/662092178.db2.gz PZQFHPXENBUIBA-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872060794 662755090 /nfs/dbraw/zinc/75/50/90/662755090.db2.gz UDXVJEFYPSRSQS-ZBFHGGJFSA-N 0 3 388.327 2.717 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Br)n1 ZINC000874076591 662821790 /nfs/dbraw/zinc/82/17/90/662821790.db2.gz RMBGQDRQEJYVLI-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000876589288 662863226 /nfs/dbraw/zinc/86/32/26/662863226.db2.gz IUYKXEZAVXHWMO-ZDUSSCGKSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000876890878 662867613 /nfs/dbraw/zinc/86/76/13/662867613.db2.gz LCHXABOYFPDZSB-DZKIICNBSA-N 0 3 375.822 2.825 20 30 GFEDHN CCOc1ccc(Br)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884099231 663065107 /nfs/dbraw/zinc/06/51/07/663065107.db2.gz IHCQDBIOZMNYHP-VMBJYNEYSA-N 0 3 378.270 2.926 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3c(Br)ccc(F)c3C1)C2 ZINC000884325820 663069034 /nfs/dbraw/zinc/06/90/34/663069034.db2.gz BNPNQJDOPOUYSQ-LASWEOPPSA-N 0 3 392.272 2.612 20 30 GFEDHN CN(Cc1ccc(Br)cc1F)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884450759 663070940 /nfs/dbraw/zinc/07/09/40/663070940.db2.gz RTZGOYDGHBYJSW-JZLYGMAVSA-N 0 3 380.261 2.686 20 30 GFEDHN C#CCN(C(=O)c1c2ccc(Br)cc2nn1C)C1CCN(C)CC1 ZINC000886574491 663114106 /nfs/dbraw/zinc/11/41/06/663114106.db2.gz IMISVRLYPFZWJN-UHFFFAOYSA-N 0 3 389.297 2.505 20 30 GFEDHN C#CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)C1CCN(C)CC1 ZINC000886575703 663114131 /nfs/dbraw/zinc/11/41/31/663114131.db2.gz GRVZDQDJCSBOIX-UHFFFAOYSA-N 0 3 394.269 2.835 20 30 GFEDHN C#CCN(C(=O)c1cc(C)ccc1I)C1CCN(C)CC1 ZINC000886582331 663114269 /nfs/dbraw/zinc/11/42/69/663114269.db2.gz PNFOAKFXQCYEHI-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN N#CC1(C[C@@H](O)CN2CC(Cc3cccc(Br)c3)C2)CCOCC1 ZINC000905979973 663904818 /nfs/dbraw/zinc/90/48/18/663904818.db2.gz YGBRNSXDSNNXOB-GOSISDBHSA-N 0 3 393.325 2.995 20 30 GFEDHN CC(C)n1cnnc1SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885138 664473651 /nfs/dbraw/zinc/47/36/51/664473651.db2.gz NRRLBOFWRYNQBY-ZDUSSCGKSA-N 0 3 377.857 2.952 20 30 GFEDHN C#CCN(C(=O)N[C@H](C)c1ccc(Br)cn1)C1CCN(C)CC1 ZINC000922288827 664593074 /nfs/dbraw/zinc/59/30/74/664593074.db2.gz HYUZZDHCVBFLLN-CYBMUJFWSA-N 0 3 379.302 2.644 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCO[C@H]2CCOC2)cc1OC ZINC000922942382 664619548 /nfs/dbraw/zinc/61/95/48/664619548.db2.gz PVBVOBBIRRWTOJ-AWEZNQCLSA-N 0 3 386.286 2.918 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932140736 664810949 /nfs/dbraw/zinc/81/09/49/664810949.db2.gz HNNBPVMVKLTLEH-AWEZNQCLSA-N 0 3 392.297 2.642 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(C)c2Br)CC1 ZINC000121015573 551225117 /nfs/dbraw/zinc/22/51/17/551225117.db2.gz SBNPWQZHNQYPEU-UHFFFAOYSA-N 0 3 394.313 2.853 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000121876147 551244781 /nfs/dbraw/zinc/24/47/81/551244781.db2.gz BVLZNXXLLUBZBK-UHFFFAOYSA-N 0 3 382.302 2.994 20 30 GFEDHN COc1ccc(Br)cc1CN(C)CCCc1[nH]nc(N)c1C#N ZINC000153299280 551450134 /nfs/dbraw/zinc/45/01/34/551450134.db2.gz MZKREAZMINCOCX-UHFFFAOYSA-N 0 3 378.274 2.699 20 30 GFEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1 ZINC000155134581 551492027 /nfs/dbraw/zinc/49/20/27/551492027.db2.gz IPTZQWCWLJHHCV-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CN1CCCC1 ZINC000156615415 551526034 /nfs/dbraw/zinc/52/60/34/551526034.db2.gz HQELFIZWBPDQQN-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000171721543 551662236 /nfs/dbraw/zinc/66/22/36/551662236.db2.gz BVTVZUPPXPRGQC-UHFFFAOYSA-N 0 3 382.302 2.778 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419972092 563254719 /nfs/dbraw/zinc/25/47/19/563254719.db2.gz XXRNLTRYSHSYAL-OAHLLOKOSA-N 0 3 383.945 2.940 20 30 GFEDHN N#Cc1c(F)ccc(CNC2CCC(N3CCCS3(=O)=O)CC2)c1Cl ZINC000372993292 563324742 /nfs/dbraw/zinc/32/47/42/563324742.db2.gz PXGCRDCQDWWWNF-UHFFFAOYSA-N 0 3 385.892 2.787 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000298042156 563342939 /nfs/dbraw/zinc/34/29/39/563342939.db2.gz GVGWBPSIPBYNOC-UHFFFAOYSA-N 0 3 385.295 2.671 20 30 GFEDHN C=C[C@@](C)(O)CC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425097823 563404447 /nfs/dbraw/zinc/40/44/47/563404447.db2.gz JBQUHKBBCVXGPW-QGZVFWFLSA-N 0 3 384.318 2.713 20 30 GFEDHN N#Cc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1C(F)(F)F ZINC000409537861 563564518 /nfs/dbraw/zinc/56/45/18/563564518.db2.gz UFKRBKAOQNOEDG-UHFFFAOYSA-N 0 3 375.416 2.731 20 30 GFEDHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435425946 563649670 /nfs/dbraw/zinc/64/96/70/563649670.db2.gz FSSVDMYAUOQMMC-INIZCTEOSA-N 0 3 377.535 2.851 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H](CO)[C@@H]2CCCO2)cc1OC ZINC000447968674 563892622 /nfs/dbraw/zinc/89/26/22/563892622.db2.gz RDZNBGNJUUHJHK-CABCVRRESA-N 0 3 386.286 2.652 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCCSc2ccc(F)cc2)nc1 ZINC000570920312 564527146 /nfs/dbraw/zinc/52/71/46/564527146.db2.gz GXQHGUSPMQLKMB-UHFFFAOYSA-N 0 3 379.482 2.638 20 30 GFEDHN CC1(C)CCCN1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000457046055 564644027 /nfs/dbraw/zinc/64/40/27/564644027.db2.gz BGXXCZZJXIWUFD-UHFFFAOYSA-N 0 3 380.286 2.690 20 30 GFEDHN C=CCN1CCC(NC(=O)N(CCO)Cc2cccc(Br)c2)CC1 ZINC000487475644 564689237 /nfs/dbraw/zinc/68/92/37/564689237.db2.gz JDYDNZJAHJRHFM-UHFFFAOYSA-N 0 3 396.329 2.603 20 30 GFEDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882726 564698233 /nfs/dbraw/zinc/69/82/33/564698233.db2.gz PSQQCQZPKBZXLI-AWEZNQCLSA-N 0 3 381.274 2.553 20 30 GFEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459697363 564757413 /nfs/dbraw/zinc/75/74/13/564757413.db2.gz MQGJLRWVIIDYQS-CQSZACIVSA-N 0 3 379.551 2.867 20 30 GFEDHN N#Cc1c(NC(=O)CNC2(CO)CCSCC2)sc2c1CCCCC2 ZINC000459705696 564757883 /nfs/dbraw/zinc/75/78/83/564757883.db2.gz VELXXHYDEJSPMZ-UHFFFAOYSA-N 0 3 379.551 2.675 20 30 GFEDHN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C(C)C#N)C1=O ZINC000561377759 564993096 /nfs/dbraw/zinc/99/30/96/564993096.db2.gz FYYCBYBKAZFHOM-GXTWGEPZSA-N 0 3 378.270 2.837 20 30 GFEDHN CN(CCC#N)C[C@H](O)CNCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000562992034 565051525 /nfs/dbraw/zinc/05/15/25/565051525.db2.gz VCEUOKXUHOXPHD-QGZVFWFLSA-N 0 3 378.929 2.802 20 30 GFEDHN N[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[C@H]1F ZINC000659435366 565216958 /nfs/dbraw/zinc/21/69/58/565216958.db2.gz AMTDKEUFRGDQPQ-ZKKRXERASA-N 0 3 379.320 2.977 20 30 GFEDHN CCC(C#N)C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000593497301 565336924 /nfs/dbraw/zinc/33/69/24/565336924.db2.gz UPDWKKMNMQCPQV-BONVTDFDSA-N 0 3 392.253 2.680 20 30 GFEDHN CN(CCN1CCCCC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000593883490 565365838 /nfs/dbraw/zinc/36/58/38/565365838.db2.gz PEUQHTFYDJMDDC-UHFFFAOYSA-N 0 3 380.286 2.644 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000594447504 565386745 /nfs/dbraw/zinc/38/67/45/565386745.db2.gz XIMHFGCYJYHHRB-CQSZACIVSA-N 0 3 376.258 2.985 20 30 GFEDHN CN(CCNCc1ccc(C2(C#N)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000594956820 565436894 /nfs/dbraw/zinc/43/68/94/565436894.db2.gz OEEDGBFQVQZNOX-UHFFFAOYSA-N 0 3 375.519 2.714 20 30 GFEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000599428957 565678086 /nfs/dbraw/zinc/67/80/86/565678086.db2.gz NGFZUAUSIDREAI-HIFRSBDPSA-N 0 3 397.313 2.916 20 30 GFEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000599428959 565678822 /nfs/dbraw/zinc/67/88/22/565678822.db2.gz NGFZUAUSIDREAI-ZFWWWQNUSA-N 0 3 397.313 2.916 20 30 GFEDHN Cc1ccc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)cc1C#N ZINC000600663427 565743214 /nfs/dbraw/zinc/74/32/14/565743214.db2.gz BEJVQLQGYXRUPS-AWEZNQCLSA-N 0 3 376.503 2.590 20 30 GFEDHN N#Cc1cccc(CNC[C@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000602681469 565862084 /nfs/dbraw/zinc/86/20/84/565862084.db2.gz APILAOXWCWKQOF-GFCCVEGCSA-N 0 3 378.245 2.796 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000602852587 565870800 /nfs/dbraw/zinc/87/08/00/565870800.db2.gz CZCCRQPBZUJIEZ-OKILXGFUSA-N 0 3 379.302 2.696 20 30 GFEDHN N#Cc1c(Br)cccc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424433 565904862 /nfs/dbraw/zinc/90/48/62/565904862.db2.gz VSPOUBCPKKUKIJ-OAHLLOKOSA-N 0 3 393.329 2.529 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000819722947 599540739 /nfs/dbraw/zinc/54/07/39/599540739.db2.gz SAVMGHVGFDFSCJ-UHFFFAOYSA-N 0 3 381.459 2.737 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000819722947 599540741 /nfs/dbraw/zinc/54/07/41/599540741.db2.gz SAVMGHVGFDFSCJ-UHFFFAOYSA-N 0 3 381.459 2.737 20 30 GFEDHN N#Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822825352 599637152 /nfs/dbraw/zinc/63/71/52/599637152.db2.gz BQLLWRSCLUMRML-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000822825352 599637153 /nfs/dbraw/zinc/63/71/53/599637153.db2.gz BQLLWRSCLUMRML-UHFFFAOYSA-N 0 3 387.447 2.732 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826385048 608570934 /nfs/dbraw/zinc/57/09/34/608570934.db2.gz VCBSHRVCMDFYKZ-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826385048 608570936 /nfs/dbraw/zinc/57/09/36/608570936.db2.gz VCBSHRVCMDFYKZ-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[C@H](C)CCN2)nc1C ZINC000817910632 660211867 /nfs/dbraw/zinc/21/18/67/660211867.db2.gz CELKCMCVNFVTPZ-KOLCDFICSA-N 0 3 378.527 2.511 20 30 GFEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@]1=O ZINC000832026513 660747427 /nfs/dbraw/zinc/74/74/27/660747427.db2.gz VVVBXZIUIBBSFI-SHZVTRLKSA-N 0 3 375.519 2.706 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000836489983 660910420 /nfs/dbraw/zinc/91/04/20/660910420.db2.gz AMKHHSGGYQOTQT-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000123541391 654758770 /nfs/dbraw/zinc/75/87/70/654758770.db2.gz GUGFKKIIGHCTSM-SECBINFHSA-N 0 3 384.280 2.631 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000131937477 654922359 /nfs/dbraw/zinc/92/23/59/654922359.db2.gz AWENHPQYPPCGIC-CQSZACIVSA-N 0 3 381.270 2.633 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@](C)(CCO)COC)cc1OC ZINC000267361963 654925686 /nfs/dbraw/zinc/92/56/86/654925686.db2.gz ODCLQGXFGJOBFZ-KRWDZBQOSA-N 0 3 388.302 2.900 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2NC(C)=O)CC1 ZINC000157265905 655099645 /nfs/dbraw/zinc/09/96/45/655099645.db2.gz HIHGIXOCDUEBJG-UHFFFAOYSA-N 0 3 378.270 2.691 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(Br)cs1 ZINC000119254229 655295302 /nfs/dbraw/zinc/29/53/02/655295302.db2.gz JLGCKOINHNAUQO-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000774052155 656486018 /nfs/dbraw/zinc/48/60/18/656486018.db2.gz KVILSLTWIDPTJK-CQSZACIVSA-N 0 3 377.238 2.813 20 30 GFEDHN C[C@H](NC(=O)C(C#N)C(=O)Cc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000774261504 656510286 /nfs/dbraw/zinc/51/02/86/656510286.db2.gz ZWNYGFPZDLAGIR-IINYFYTJSA-N 0 3 379.247 2.856 20 30 GFEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000787041497 657508561 /nfs/dbraw/zinc/50/85/61/657508561.db2.gz ZYDJKJBPDJWTHX-CABCVRRESA-N 0 3 389.253 2.622 20 30 GFEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000870310139 662683370 /nfs/dbraw/zinc/68/33/70/662683370.db2.gz TYGWHZKMUIQVMM-RJIBLYRGSA-N 0 3 384.263 2.794 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000876890879 662867671 /nfs/dbraw/zinc/86/76/71/662867671.db2.gz LCHXABOYFPDZSB-LZWOXQAQSA-N 0 3 375.822 2.825 20 30 GFEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876179 662907955 /nfs/dbraw/zinc/90/79/55/662907955.db2.gz TXVZBTQLPYBXPX-FUHWJXTLSA-N 0 3 388.265 2.902 20 30 GFEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000882768015 663041135 /nfs/dbraw/zinc/04/11/35/663041135.db2.gz MLYMGUFDJZFNDN-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN COCc1c(Br)cccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884100120 663065118 /nfs/dbraw/zinc/06/51/18/663065118.db2.gz JOJTUPAFURGONC-JKGQDXBKSA-N 0 3 378.270 2.673 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCCc1cc(Cl)ccc1Br)C2 ZINC000884328432 663068948 /nfs/dbraw/zinc/06/89/48/663068948.db2.gz PXZPOFBXEDGHSR-JZLYGMAVSA-N 0 3 396.716 2.901 20 30 GFEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)c3ccc(C#N)o3)C2)s1 ZINC000907347929 664026790 /nfs/dbraw/zinc/02/67/90/664026790.db2.gz XSNKOUMNGCFNIO-AWEZNQCLSA-N 0 3 379.507 2.664 20 30 GFEDHN N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000915089573 664420924 /nfs/dbraw/zinc/42/09/24/664420924.db2.gz DPSNAPNVVZBDRC-INIZCTEOSA-N 0 3 375.519 2.561 20 30 GFEDHN C#CCN(C(=O)N[C@H](C#C)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000923219496 664625459 /nfs/dbraw/zinc/62/54/59/664625459.db2.gz CJYDIDPGFHCJGO-GOSISDBHSA-N 0 3 388.309 2.862 20 30 GFEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCCC#N)CC1 ZINC000460668407 677412542 /nfs/dbraw/zinc/41/25/42/677412542.db2.gz BAGDUTMCANSMQG-UHFFFAOYSA-N 0 3 379.302 2.969 20 30 GFEDHN CNC(=O)CN1CCCC12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164686785 719734513 /nfs/dbraw/zinc/73/45/13/719734513.db2.gz SMWWLUKAXHVVSP-UHFFFAOYSA-N 0 3 398.627 2.800 20 30 GFEDHN N#Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164881112 721140668 /nfs/dbraw/zinc/14/06/68/721140668.db2.gz ZCCROWIFHYVXLP-UXHICEINSA-N 0 3 385.471 2.981 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164763306 721197175 /nfs/dbraw/zinc/19/71/75/721197175.db2.gz FGRICAZYZUJFET-UYAOXDASSA-N 0 3 376.508 2.524 20 30 GFEDHN Cc1ccc(CC#N)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963282 722060338 /nfs/dbraw/zinc/06/03/38/722060338.db2.gz VKQDZEJKQQTFFB-UHFFFAOYSA-N 0 3 391.519 2.970 20 30 GFEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000121715617 551240969 /nfs/dbraw/zinc/24/09/69/551240969.db2.gz AXUQSQNZZAMLGN-DYVFJYSZSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(CCc2ccccc2)n1 ZINC000176966215 552148394 /nfs/dbraw/zinc/14/83/94/552148394.db2.gz JTVIIEFAAPRRLR-AWEZNQCLSA-N 0 3 378.519 2.534 20 30 GFEDHN C=CCN1CCC(NC(=O)NOCc2ccc(F)cc2Br)CC1 ZINC000188570997 552448628 /nfs/dbraw/zinc/44/86/28/552448628.db2.gz CLEPEQFLIMQBLH-UHFFFAOYSA-N 0 3 386.265 2.969 20 30 GFEDHN C=CCCOCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000295381347 563244375 /nfs/dbraw/zinc/24/43/75/563244375.db2.gz KMMKXKNZBAWSJS-CYBMUJFWSA-N 0 3 385.302 2.645 20 30 GFEDHN C[NH+](C)C1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000420741382 563281741 /nfs/dbraw/zinc/28/17/41/563281741.db2.gz HROBAXUGZYSQBY-UHFFFAOYSA-N 0 3 375.416 2.728 20 30 GFEDHN C[C@@H](CO)N1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000374148831 563363212 /nfs/dbraw/zinc/36/32/12/563363212.db2.gz MYNSACMJOKSZSP-ZDUSSCGKSA-N 0 3 389.297 2.762 20 30 GFEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761461 563423683 /nfs/dbraw/zinc/42/36/83/563423683.db2.gz VJXINFONVRGXNT-NHYWBVRUSA-N 0 3 375.416 2.538 20 30 GFEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282804936 563424935 /nfs/dbraw/zinc/42/49/35/563424935.db2.gz YQXSIUQNYNXJDN-UHFFFAOYSA-N 0 3 375.416 2.539 20 30 GFEDHN C[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000376518268 563444721 /nfs/dbraw/zinc/44/47/21/563444721.db2.gz MPIFPJVSIICPJB-DNVCBOLYSA-N 0 3 391.357 2.779 20 30 GFEDHN CN(CCn1cc(Br)cn1)C(=O)C(C#N)CCc1ccccc1 ZINC000426506154 563452365 /nfs/dbraw/zinc/45/23/65/563452365.db2.gz CLCJYKJWHLGXRN-HNNXBMFYSA-N 0 3 375.270 2.877 20 30 GFEDHN CC(=O)Nc1ncc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)s1 ZINC000329276859 563477506 /nfs/dbraw/zinc/47/75/06/563477506.db2.gz LJGAPDYDQLRNLF-AWEZNQCLSA-N 0 3 386.543 2.826 20 30 GFEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCCC1 ZINC000331226890 563541368 /nfs/dbraw/zinc/54/13/68/563541368.db2.gz FRNPCBUTTAOTAA-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CN1CCN(CCNC(=O)c2cccc(C#N)c2Br)CC1(C)C ZINC000331311025 563545020 /nfs/dbraw/zinc/54/50/20/563545020.db2.gz HMRSVYGAJBBEFC-UHFFFAOYSA-N 0 3 379.302 2.651 20 30 GFEDHN C=CCN1CC[C@@H](NC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000410419375 563590630 /nfs/dbraw/zinc/59/06/30/563590630.db2.gz GIFAMRVWIICSTI-MRXNPFEDSA-N 0 3 379.298 2.831 20 30 GFEDHN C=CCn1c(SC[C@H](O)CN(C)C2CC2)nc2cc(Cl)ccc2c1=O ZINC000290734159 563720020 /nfs/dbraw/zinc/72/00/20/563720020.db2.gz GHTPGTCTZPWXQD-CQSZACIVSA-N 0 3 379.913 2.783 20 30 GFEDHN COC(=O)C[C@@H]1CSCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471205459 564189087 /nfs/dbraw/zinc/18/90/87/564189087.db2.gz XYHSIIMTFSFHDW-CQSZACIVSA-N 0 3 381.885 2.521 20 30 GFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1cccc(Br)c1C#N ZINC000450489338 564234290 /nfs/dbraw/zinc/23/42/90/564234290.db2.gz ZTNNQRXOBABOGI-CYBMUJFWSA-N 0 3 394.313 2.888 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000542910770 564331847 /nfs/dbraw/zinc/33/18/47/564331847.db2.gz ZJUCBVMGSJPKQF-QGZVFWFLSA-N 0 3 388.265 2.973 20 30 GFEDHN CCN1CCN(CC(C)(C)NCc2cc(C#N)ccc2Br)CC1 ZINC000451995016 564378661 /nfs/dbraw/zinc/37/86/61/564378661.db2.gz WNZGQGCGVNKOMU-UHFFFAOYSA-N 0 3 379.346 2.826 20 30 GFEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452087437 564389519 /nfs/dbraw/zinc/38/95/19/564389519.db2.gz QJKOEOJZBUCCRM-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CN(C)C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000573256533 564630329 /nfs/dbraw/zinc/63/03/29/564630329.db2.gz RFTVVDPKMIMWFB-MRXNPFEDSA-N 0 3 377.897 2.835 20 30 GFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000486669927 564661953 /nfs/dbraw/zinc/66/19/53/564661953.db2.gz INBXBRQMNCLUAT-SMDDNHRTSA-N 0 3 384.237 2.670 20 30 GFEDHN C[C@@H]1CN(CCCNC(=O)Nc2ccc(C#N)c(Br)c2)CCCO1 ZINC000487887879 564699006 /nfs/dbraw/zinc/69/90/06/564699006.db2.gz YNAVARXVTHTESG-CYBMUJFWSA-N 0 3 395.301 2.943 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCCN1CC ZINC000459867810 564763650 /nfs/dbraw/zinc/76/36/50/564763650.db2.gz WNCSGBOEYGINHC-CQSZACIVSA-N 0 3 383.945 2.859 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000584774720 565097725 /nfs/dbraw/zinc/09/77/25/565097725.db2.gz NQEOSGMETQHUJA-HNNXBMFYSA-N 0 3 380.286 2.592 20 30 GFEDHN CC(C)(C)N1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597924844 565583102 /nfs/dbraw/zinc/58/31/02/565583102.db2.gz SPJIFULQZVAHCK-CYBMUJFWSA-N 0 3 380.286 2.689 20 30 GFEDHN CN(CCOc1ccc(Br)cc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599260129 565664885 /nfs/dbraw/zinc/66/48/85/565664885.db2.gz AFEHYHCGQPKXKB-INIZCTEOSA-N 0 3 397.313 2.831 20 30 GFEDHN CN1CCCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000599414737 565677309 /nfs/dbraw/zinc/67/73/09/565677309.db2.gz HOFMKXFZXOYGOS-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602865021 565871931 /nfs/dbraw/zinc/87/19/31/565871931.db2.gz SAZBROJQSZOMAK-OKILXGFUSA-N 0 3 379.302 2.696 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000735420807 599189444 /nfs/dbraw/zinc/18/94/44/599189444.db2.gz UIWZNCKJHKYASK-GOSISDBHSA-N 0 3 399.543 2.931 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000735420807 599189447 /nfs/dbraw/zinc/18/94/47/599189447.db2.gz UIWZNCKJHKYASK-GOSISDBHSA-N 0 3 399.543 2.931 20 30 GFEDHN N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826387257 608661519 /nfs/dbraw/zinc/66/15/19/608661519.db2.gz MNVRQBJOTYUOOK-UHFFFAOYSA-N 0 3 393.476 2.651 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(I)c1 ZINC000818599391 660229647 /nfs/dbraw/zinc/22/96/47/660229647.db2.gz NUXBPUMSFXZJNK-UHFFFAOYSA-N 0 3 390.652 2.630 20 30 GFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Br)n(C)n1 ZINC000835063392 660840021 /nfs/dbraw/zinc/84/00/21/660840021.db2.gz XVNNUVKWHLRSNP-SNVBAGLBSA-N 0 3 391.225 2.542 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cccc(F)c1Br ZINC000835057392 660839607 /nfs/dbraw/zinc/83/96/07/660839607.db2.gz BNUNNBFWTNJGPK-ZDUSSCGKSA-N 0 3 399.260 2.772 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000836385743 660903113 /nfs/dbraw/zinc/90/31/13/660903113.db2.gz JIUAWFRISDVHHD-YOEHRIQHSA-N 0 3 396.329 2.779 20 30 GFEDHN C#C[C@H](NC(=O)NC1CCN(CCOC)CC1)c1ccc(Br)cc1 ZINC000836346454 660901112 /nfs/dbraw/zinc/90/11/12/660901112.db2.gz RGOHAJFJZNWJDI-KRWDZBQOSA-N 0 3 394.313 2.533 20 30 GFEDHN C#CCN(C)CCCNC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000836486889 660910107 /nfs/dbraw/zinc/91/01/07/660910107.db2.gz KABQFJVAOKBCIP-UHFFFAOYSA-N 0 3 376.551 2.977 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000173984347 655188012 /nfs/dbraw/zinc/18/80/12/655188012.db2.gz TVCSJQVBFHDONG-JTQLQIEISA-N 0 3 376.766 2.789 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2OCCOC)CC1 ZINC000778185133 656869619 /nfs/dbraw/zinc/86/96/19/656869619.db2.gz QDDOQTCIYSOTMS-UHFFFAOYSA-N 0 3 395.297 2.758 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000843086002 661367125 /nfs/dbraw/zinc/36/71/25/661367125.db2.gz ZBRFXEIOGDKZKI-DYVFJYSZSA-N 0 3 381.259 2.928 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000876642680 662864094 /nfs/dbraw/zinc/86/40/94/662864094.db2.gz JHPWXJVXWWCTLA-LLVKDONJSA-N 0 3 377.666 2.552 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000876876885 662867520 /nfs/dbraw/zinc/86/75/20/662867520.db2.gz KBNBKQQYHOIJBR-HNNXBMFYSA-N 0 3 385.295 2.794 20 30 GFEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883095785 663048935 /nfs/dbraw/zinc/04/89/35/663048935.db2.gz NFTGVQMDYAWPDU-UHFFFAOYSA-N 0 3 392.257 2.904 20 30 GFEDHN CC[C@H](C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283580 663088231 /nfs/dbraw/zinc/08/82/31/663088231.db2.gz KGOHBHUSKFXPAU-XHNCKOQMSA-N 0 3 382.295 2.956 20 30 GFEDHN C#CCN(C(=O)c1ccc(Cn2cc(Cl)cn2)s1)C1CCN(C)CC1 ZINC000886572351 663113978 /nfs/dbraw/zinc/11/39/78/663113978.db2.gz IUOGTEFRSJICEX-UHFFFAOYSA-N 0 3 376.913 2.816 20 30 GFEDHN C#C[C@@H](N[C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894669124 663475489 /nfs/dbraw/zinc/47/54/89/663475489.db2.gz QKSPWKBSZLOWRV-CXAGYDPISA-N 0 3 399.354 2.773 20 30 GFEDHN CN(C(=O)Nc1ccc(C#N)cc1I)[C@@H]1CCCN(C)C1 ZINC000932547384 664825307 /nfs/dbraw/zinc/82/53/07/664825307.db2.gz KCVCWUGOHARZLH-GFCCVEGCSA-N 0 3 398.248 2.721 20 30 GFEDHN O[C@]1(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945303 664844016 /nfs/dbraw/zinc/84/40/16/664844016.db2.gz VIFKUDTXTGVJEJ-BBBLOLIVSA-N 0 3 383.279 2.631 20 30 GFEDHN N#Cc1nc(Cl)c(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1C#N ZINC001164629336 719078925 /nfs/dbraw/zinc/07/89/25/719078925.db2.gz XKVCDQAFHQKRRK-YJBOKZPZSA-N 0 3 378.867 2.974 20 30 GFEDHN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866308 721050980 /nfs/dbraw/zinc/05/09/80/721050980.db2.gz DVHZAZQKHGBFFF-SJORKVTESA-N 0 3 383.883 2.790 20 30 GFEDHN N#Cc1cc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982777 722134011 /nfs/dbraw/zinc/13/40/11/722134011.db2.gz SIJUNJBGLUIKBU-QFBILLFUSA-N 0 3 383.883 2.729 20 30 GFEDHN C=CCOc1c(Br)cc(CN(C)CCC(=O)NC)cc1OCC ZINC000179408857 552192303 /nfs/dbraw/zinc/19/23/03/552192303.db2.gz MPVASFOYEXRSAO-UHFFFAOYSA-N 0 3 385.302 2.981 20 30 GFEDHN C#CCSCCN[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000181094837 552246524 /nfs/dbraw/zinc/24/65/24/552246524.db2.gz IHPQITNUOGHJSX-HNNXBMFYSA-N 0 3 378.519 2.775 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000183909822 552322548 /nfs/dbraw/zinc/32/25/48/552322548.db2.gz JLNIKQVLGUHOQV-KRWDZBQOSA-N 0 3 388.265 2.973 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(C)nc2OC)CC1 ZINC000188143022 552436670 /nfs/dbraw/zinc/43/66/70/552436670.db2.gz OBKQMWZMPOXIRZ-UHFFFAOYSA-N 0 3 382.302 2.931 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C2(N)CCCCC2)nc1C ZINC000237665845 553080664 /nfs/dbraw/zinc/08/06/64/553080664.db2.gz BFOJKTPZBWWOIE-UHFFFAOYSA-N 0 3 378.527 2.785 20 30 GFEDHN CC(C#N)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 ZINC000478446232 564402559 /nfs/dbraw/zinc/40/25/59/564402559.db2.gz MBNCABRTJHZLIL-SWLSCSKDSA-N 0 3 397.260 2.531 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000424120859 563370926 /nfs/dbraw/zinc/37/09/26/563370926.db2.gz FISDSNJDAVJZON-GJZGRUSLSA-N 0 3 397.260 2.976 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000424120868 563371581 /nfs/dbraw/zinc/37/15/81/563371581.db2.gz FISDSNJDAVJZON-LSDHHAIUSA-N 0 3 397.260 2.976 20 30 GFEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376546652 563446287 /nfs/dbraw/zinc/44/62/87/563446287.db2.gz QKGFXTWXNWILED-IBGZPJMESA-N 0 3 391.357 2.921 20 30 GFEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000329274597 563477650 /nfs/dbraw/zinc/47/76/50/563477650.db2.gz BFBIWHLRMLATOE-CYBMUJFWSA-N 0 3 384.311 2.661 20 30 GFEDHN CS[C@@H]1CN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@@H]1N1CCCC1 ZINC000330131371 563496377 /nfs/dbraw/zinc/49/63/77/563496377.db2.gz PQWLMJLXOLESHD-QWHCGFSZSA-N 0 3 383.587 2.935 20 30 GFEDHN C=CCNC(=O)NC(=O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429239242 563512651 /nfs/dbraw/zinc/51/26/51/563512651.db2.gz GQAHCBYABXLLDZ-UHFFFAOYSA-N 0 3 382.302 2.680 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330829396 563523058 /nfs/dbraw/zinc/52/30/58/563523058.db2.gz TUUMHAAZQZQCIJ-RYUDHWBXSA-N 0 3 378.420 2.546 20 30 GFEDHN C[C@@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000285630370 563529684 /nfs/dbraw/zinc/52/96/84/563529684.db2.gz ZZBBGCBSSPVTNN-MSOLQXFVSA-N 0 3 375.266 2.851 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1Br ZINC000331402902 563548588 /nfs/dbraw/zinc/54/85/88/563548588.db2.gz HVYKRJDYGSSFFK-CQSZACIVSA-N 0 3 398.326 2.570 20 30 GFEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564807 563635870 /nfs/dbraw/zinc/63/58/70/563635870.db2.gz OQWJLSMBVAOCFM-YOEHRIQHSA-N 0 3 392.297 2.642 20 30 GFEDHN CN1CCC2(CCCN2C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000333626659 563637457 /nfs/dbraw/zinc/63/74/57/563637457.db2.gz ZKCHPEFHPKBRJD-UHFFFAOYSA-N 0 3 392.297 2.786 20 30 GFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000364868317 563767320 /nfs/dbraw/zinc/76/73/20/563767320.db2.gz DDKQWRTUZHSXPI-HNAYVOBHSA-N 0 3 391.357 2.779 20 30 GFEDHN CN1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000416564272 563849202 /nfs/dbraw/zinc/84/92/02/563849202.db2.gz ZRXMVCSFDLGKNL-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)c1nc2cccc(Br)c2s1 ZINC000506898818 564213455 /nfs/dbraw/zinc/21/34/55/564213455.db2.gz WMGHIXGVYVOVDO-QMMMGPOBSA-N 0 3 389.296 2.523 20 30 GFEDHN C[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN(C2CC2)C1 ZINC000452164121 564396828 /nfs/dbraw/zinc/39/68/28/564396828.db2.gz NJYHKGOSAGCJLV-CYBMUJFWSA-N 0 3 392.297 2.642 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2nccs2)cc1 ZINC000483566007 564570282 /nfs/dbraw/zinc/57/02/82/564570282.db2.gz VANINEGOOWHDET-LBPRGKRZSA-N 0 3 378.479 2.535 20 30 GFEDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C1 ZINC000457101327 564646790 /nfs/dbraw/zinc/64/67/90/564646790.db2.gz XZGFWQSLTXQAHV-CYBMUJFWSA-N 0 3 380.286 2.641 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)NCCOCCN(C)C ZINC000459662979 564755876 /nfs/dbraw/zinc/75/58/76/564755876.db2.gz VYSKIAVOXDWPFT-UHFFFAOYSA-N 0 3 386.290 2.714 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000580796562 564773721 /nfs/dbraw/zinc/77/37/21/564773721.db2.gz RSADLFXMABMKFD-LBPRGKRZSA-N 0 3 388.331 2.719 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000555940547 564808762 /nfs/dbraw/zinc/80/87/62/564808762.db2.gz UYXQRHHIBQGMLR-UHFFFAOYSA-N 0 3 384.307 2.766 20 30 GFEDHN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)C(C)C#N)C1=O ZINC000561377762 564993112 /nfs/dbraw/zinc/99/31/12/564993112.db2.gz FYYCBYBKAZFHOM-TZMCWYRMSA-N 0 3 378.270 2.837 20 30 GFEDHN N#Cc1cnn2cc(CN[C@H]3CCN(c4cccc(Br)c4)C3)cnc12 ZINC000563151669 565057523 /nfs/dbraw/zinc/05/75/23/565057523.db2.gz ZNJDTTOMOKKNHE-INIZCTEOSA-N 0 3 397.280 2.732 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCC(=O)N2)cc1OCC ZINC000657709385 565122085 /nfs/dbraw/zinc/12/20/85/565122085.db2.gz PQFTZPMWWBGVJU-ZDUSSCGKSA-N 0 3 383.286 2.781 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(CC(F)(F)F)C2)cc1 ZINC000588289597 565132690 /nfs/dbraw/zinc/13/26/90/565132690.db2.gz HZVVPIABPUAUEF-JTQLQIEISA-N 0 3 375.372 2.788 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000591761105 565238475 /nfs/dbraw/zinc/23/84/75/565238475.db2.gz VBTLHLRIYVCSJV-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000591761106 565238539 /nfs/dbraw/zinc/23/85/39/565238539.db2.gz VBTLHLRIYVCSJV-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198181 565378849 /nfs/dbraw/zinc/37/88/49/565378849.db2.gz SUVMHRJCHAQDSM-DLBZAZTESA-N 0 3 376.298 2.996 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000594431030 565384227 /nfs/dbraw/zinc/38/42/27/565384227.db2.gz GAXYYXAKXCQYRA-CVEARBPZSA-N 0 3 380.286 2.760 20 30 GFEDHN C=CCCOCC(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000644834706 565497281 /nfs/dbraw/zinc/49/72/81/565497281.db2.gz RKTUWKXFEOZURK-UHFFFAOYSA-N 0 3 384.318 2.978 20 30 GFEDHN CC(C#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598911303 565649471 /nfs/dbraw/zinc/64/94/71/565649471.db2.gz UMOKHINGCBQNPL-LLVKDONJSA-N 0 3 379.258 2.721 20 30 GFEDHN CN1CCCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000599414576 565676895 /nfs/dbraw/zinc/67/68/95/565676895.db2.gz GLINUMPMLZEVIM-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCOc1c(Br)cc(CNCC[C@]2(O)CCOC2)cc1OC ZINC000651941858 565906561 /nfs/dbraw/zinc/90/65/61/565906561.db2.gz MNNNABVBABDNIS-KRWDZBQOSA-N 0 3 386.286 2.654 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000735418445 599505566 /nfs/dbraw/zinc/50/55/66/599505566.db2.gz FDCADBKFXMPYTB-LJQANCHMSA-N 0 3 397.527 2.829 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000735418445 599505569 /nfs/dbraw/zinc/50/55/69/599505569.db2.gz FDCADBKFXMPYTB-LJQANCHMSA-N 0 3 397.527 2.829 20 30 GFEDHN CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820117255 599636169 /nfs/dbraw/zinc/63/61/69/599636169.db2.gz XKZITZHSZGGXTR-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820117255 599636170 /nfs/dbraw/zinc/63/61/70/599636170.db2.gz XKZITZHSZGGXTR-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820117255 599636171 /nfs/dbraw/zinc/63/61/71/599636171.db2.gz XKZITZHSZGGXTR-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820117255 599636172 /nfs/dbraw/zinc/63/61/72/599636172.db2.gz XKZITZHSZGGXTR-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN N#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385575 608462684 /nfs/dbraw/zinc/46/26/84/608462684.db2.gz RXIOXODVOCWYCP-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385575 608462685 /nfs/dbraw/zinc/46/26/85/608462685.db2.gz RXIOXODVOCWYCP-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1csc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826387809 608570900 /nfs/dbraw/zinc/57/09/00/608570900.db2.gz RRGPSDTZQDWPEQ-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN N#Cc1csc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826387809 608570902 /nfs/dbraw/zinc/57/09/02/608570902.db2.gz RRGPSDTZQDWPEQ-UHFFFAOYSA-N 0 3 381.465 2.675 20 30 GFEDHN COc1ccc(-c2nn[nH]n2)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000826186166 609365766 /nfs/dbraw/zinc/36/57/66/609365766.db2.gz HTKOREJWMFQEHS-UHFFFAOYSA-N 0 3 389.463 2.823 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000836418730 660904590 /nfs/dbraw/zinc/90/45/90/660904590.db2.gz LVYQUWBRLSGITN-CYBMUJFWSA-N 0 3 382.302 2.773 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2nscc2I)CC1 ZINC000906591755 663959848 /nfs/dbraw/zinc/95/98/48/663959848.db2.gz GYMOLJUWWFBFGW-UHFFFAOYSA-N 0 3 391.278 2.518 20 30 GFEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)S(C)(=O)=O ZINC000051156450 654722440 /nfs/dbraw/zinc/72/24/40/654722440.db2.gz DPTMQCFEEJLADM-LBPRGKRZSA-N 0 3 383.882 2.531 20 30 GFEDHN NC(=NOCc1cnc(Cl)s1)c1ccccc1CN1CCC(O)CC1 ZINC000134692790 655001167 /nfs/dbraw/zinc/00/11/67/655001167.db2.gz ZDECCCSZAIIGAY-UHFFFAOYSA-N 0 3 380.901 2.590 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(C)cc(C)cc2Br)CC1 ZINC000269267769 655003627 /nfs/dbraw/zinc/00/36/27/655003627.db2.gz KJVATKZCAAQDAL-UHFFFAOYSA-N 0 3 394.313 2.771 20 30 GFEDHN CC[C@H](NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000787041498 657507889 /nfs/dbraw/zinc/50/78/89/657507889.db2.gz ZYDJKJBPDJWTHX-GJZGRUSLSA-N 0 3 389.253 2.622 20 30 GFEDHN COC(=O)CCN1CCC(=NNCc2cc(OC)ccc2Br)CC1 ZINC000788729061 657779570 /nfs/dbraw/zinc/77/95/70/657779570.db2.gz IODDKJMRRLINBI-UHFFFAOYSA-N 0 3 398.301 2.562 20 30 GFEDHN Cc1nnc(COCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000796794396 658939275 /nfs/dbraw/zinc/93/92/75/658939275.db2.gz TZWVMPAINJKBLP-JTQLQIEISA-N 0 3 382.804 2.503 20 30 GFEDHN CC1C(NN=c2ncc(Br)c[nH]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000848420793 661646771 /nfs/dbraw/zinc/64/67/71/661646771.db2.gz LHTKRAAQJJGKKX-QMMMGPOBSA-N 0 3 384.234 2.563 20 30 GFEDHN C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000852098294 661852607 /nfs/dbraw/zinc/85/26/07/661852607.db2.gz JDAHFDWTLWUPSO-KRWDZBQOSA-N 0 3 398.370 2.546 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@@H](O)c1c(Cl)cccc1Cl ZINC000863561591 662336519 /nfs/dbraw/zinc/33/65/19/662336519.db2.gz GOGOUWNVRBTKEC-CZUORRHYSA-N 0 3 381.259 2.928 20 30 GFEDHN C=C(Cl)C[C@@H]1NC(=O)N(C2CC(N3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000865306838 662411859 /nfs/dbraw/zinc/41/18/59/662411859.db2.gz ILTPCODNCRBTFZ-BPCQOVAHSA-N 0 3 379.810 2.855 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000876561532 662862814 /nfs/dbraw/zinc/86/28/14/662862814.db2.gz LDRXLBUHKFKSJI-MRVPVSSYSA-N 0 3 383.748 2.501 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)ccc1I ZINC000876626491 662863636 /nfs/dbraw/zinc/86/36/36/662863636.db2.gz AMINTRLAILQSNJ-JTQLQIEISA-N 0 3 380.613 2.708 20 30 GFEDHN C[C@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884097072 663065122 /nfs/dbraw/zinc/06/51/22/663065122.db2.gz SFPSUUNFGGISPW-JHSBQLIOSA-N 0 3 376.298 2.636 20 30 GFEDHN CN(CCc1ccc(Br)cc1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884122379 663065496 /nfs/dbraw/zinc/06/54/96/663065496.db2.gz OQPXZCUXHOJYIQ-SWKXRBFHSA-N 0 3 376.298 2.589 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(c3ccccc3Br)CC1)C2 ZINC000884151931 663066120 /nfs/dbraw/zinc/06/61/20/663066120.db2.gz XXEKTGYPTKHPMF-SHYRYGCCSA-N 0 3 388.309 2.736 20 30 GFEDHN C#CCN(C(=O)c1nc(Br)sc1Cl)C1CCN(C)CC1 ZINC000886574764 663114160 /nfs/dbraw/zinc/11/41/60/663114160.db2.gz SJQROACVLQCNQM-UHFFFAOYSA-N 0 3 376.707 2.729 20 30 GFEDHN C#CCC1(NCCS(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000887127820 663133714 /nfs/dbraw/zinc/13/37/14/663133714.db2.gz ZNXJQXAJSRNEBQ-UHFFFAOYSA-N 0 3 376.305 2.929 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000916870045 664473245 /nfs/dbraw/zinc/47/32/45/664473245.db2.gz DLDLYVUPNIUSAD-GFCCVEGCSA-N 0 3 377.491 2.640 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000922109911 664586281 /nfs/dbraw/zinc/58/62/81/664586281.db2.gz MDWDRGUQICLGHJ-PBHICJAKSA-N 0 3 379.298 2.978 20 30 GFEDHN CCOCC[C@H](O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941159 664843441 /nfs/dbraw/zinc/84/34/41/664843441.db2.gz ATLSQSVTMMLTIL-GUBZILKMSA-N 0 3 385.295 2.877 20 30 GFEDHN Cc1cc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164972434 722111138 /nfs/dbraw/zinc/11/11/38/722111138.db2.gz FHYSIVXSDNBJTJ-TZIWHRDSSA-N 0 3 377.492 2.692 20 30 GFEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000156986970 551531730 /nfs/dbraw/zinc/53/17/30/551531730.db2.gz ZOFOVXGHJVGPST-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177659672 552156443 /nfs/dbraw/zinc/15/64/43/552156443.db2.gz KJTRRMGIYGPXOL-LBPRGKRZSA-N 0 3 375.416 2.539 20 30 GFEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177664582 552156452 /nfs/dbraw/zinc/15/64/52/552156452.db2.gz HMWCPARRUOOXOI-NHYWBVRUSA-N 0 3 375.416 2.538 20 30 GFEDHN CN(CCC#N)C(=O)CCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000179364589 552191084 /nfs/dbraw/zinc/19/10/84/552191084.db2.gz CINMUJVADQVJAD-UHFFFAOYSA-N 0 3 394.313 2.807 20 30 GFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1I ZINC000545446759 564423545 /nfs/dbraw/zinc/42/35/45/564423545.db2.gz UPELRHLCAIRHGE-SNVBAGLBSA-N 0 3 379.157 2.580 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000570436753 564505375 /nfs/dbraw/zinc/50/53/75/564505375.db2.gz RSADLFXMABMKFD-GFCCVEGCSA-N 0 3 388.331 2.719 20 30 GFEDHN CN1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000369538089 563216029 /nfs/dbraw/zinc/21/60/29/563216029.db2.gz ALOSPXCMHLURJV-FUHWJXTLSA-N 0 3 375.519 2.732 20 30 GFEDHN C=CCN1CC[C@@H](NCC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000280938350 563361761 /nfs/dbraw/zinc/36/17/61/563361761.db2.gz FNMUWEPFGFWGPW-QGZVFWFLSA-N 0 3 393.325 2.874 20 30 GFEDHN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](N)CCCC#N ZINC000424128778 563371767 /nfs/dbraw/zinc/37/17/67/563371767.db2.gz CFTIBHQRVAUOJA-CABCVRRESA-N 0 3 386.279 2.605 20 30 GFEDHN C[C@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029863 563373323 /nfs/dbraw/zinc/37/33/23/563373323.db2.gz RKBFLFFUJZMXPC-FUIYZNBFSA-N 0 3 381.567 2.772 20 30 GFEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000375017303 563388160 /nfs/dbraw/zinc/38/81/60/563388160.db2.gz HEYWETUTKJCOAH-DDBAPUKQSA-N 0 3 382.913 2.943 20 30 GFEDHN C[C@@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000376518265 563444542 /nfs/dbraw/zinc/44/45/42/563444542.db2.gz MPIFPJVSIICPJB-BEFAXECRSA-N 0 3 391.357 2.779 20 30 GFEDHN CCN1CCN([C@@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376545452 563445931 /nfs/dbraw/zinc/44/59/31/563445931.db2.gz JVUUFLFBLVZXOF-GOSISDBHSA-N 0 3 377.330 2.533 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000329031852 563470634 /nfs/dbraw/zinc/47/06/34/563470634.db2.gz XKAWCQFYNDIZPH-DOMZBBRYSA-N 0 3 395.301 2.771 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@H](CO)Cc3cccc(Br)c3)n2c1 ZINC000428539391 563495003 /nfs/dbraw/zinc/49/50/03/563495003.db2.gz SIKZKKUBEMZKIJ-MRXNPFEDSA-N 0 3 399.292 2.909 20 30 GFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000286628327 563568401 /nfs/dbraw/zinc/56/84/01/563568401.db2.gz IJSZIKYIPHDANA-LRDDRELGSA-N 0 3 398.326 2.568 20 30 GFEDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435444046 563651095 /nfs/dbraw/zinc/65/10/95/563651095.db2.gz USFQQQTWDZNQRV-KRWDZBQOSA-N 0 3 375.519 2.809 20 30 GFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1cccc(Br)c1C#N ZINC000451687940 564340357 /nfs/dbraw/zinc/34/03/57/564340357.db2.gz ITBCGLGEYKZBGY-ZIAGYGMSSA-N 0 3 392.297 2.785 20 30 GFEDHN C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN(C2CC2)C1 ZINC000452164122 564396895 /nfs/dbraw/zinc/39/68/95/564396895.db2.gz NJYHKGOSAGCJLV-ZDUSSCGKSA-N 0 3 392.297 2.642 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000515475213 564480217 /nfs/dbraw/zinc/48/02/17/564480217.db2.gz MEZODZXZPYCMKA-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3ccc(Cl)cc3)CC2)nc1 ZINC000579464113 564748181 /nfs/dbraw/zinc/74/81/81/564748181.db2.gz ADVKAWPXKHPXAR-UHFFFAOYSA-N 0 3 375.881 2.702 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)NCC1(O)CCN(C)CC1 ZINC000459688654 564756668 /nfs/dbraw/zinc/75/66/68/564756668.db2.gz HYLHRMWOQJSVEH-UHFFFAOYSA-N 0 3 398.301 2.592 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@]2(N(C)C)CCSC2)c1C#N ZINC000531366540 564908876 /nfs/dbraw/zinc/90/88/76/564908876.db2.gz KGVMZKQGHLXLQW-GOSISDBHSA-N 0 3 376.551 2.720 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000593656308 565353858 /nfs/dbraw/zinc/35/38/58/565353858.db2.gz KELBIMQRQUEPHM-QGZVFWFLSA-N 0 3 376.298 2.996 20 30 GFEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1Br ZINC000594198937 565378266 /nfs/dbraw/zinc/37/82/66/565378266.db2.gz VVPZMAPWDNZMOG-IAGOWNOFSA-N 0 3 392.297 2.833 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594439699 565385331 /nfs/dbraw/zinc/38/53/31/565385331.db2.gz YQYKZMQSYKHPFG-GOEBONIOSA-N 0 3 379.302 2.555 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000594435241 565385490 /nfs/dbraw/zinc/38/54/90/565385490.db2.gz CFJXVELZTZUVCG-NSHDSACASA-N 0 3 393.175 2.919 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000594445231 565385686 /nfs/dbraw/zinc/38/56/86/565385686.db2.gz INYJUEHJLGWTHD-GJZGRUSLSA-N 0 3 383.279 2.626 20 30 GFEDHN N#Cc1cc(Br)ccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595587933 565483798 /nfs/dbraw/zinc/48/37/98/565483798.db2.gz HTFDQQUSFUEWOC-KRWDZBQOSA-N 0 3 379.298 2.978 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOc1cccc(Br)c1 ZINC000600717881 565747447 /nfs/dbraw/zinc/74/74/47/565747447.db2.gz CTDCBOHXWNNJEL-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCN[C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000611394653 566129163 /nfs/dbraw/zinc/12/91/63/566129163.db2.gz VQNIPVMCSPMERS-KRWDZBQOSA-N 0 3 375.519 2.874 20 30 GFEDHN N#Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737704644 598925535 /nfs/dbraw/zinc/92/55/35/598925535.db2.gz KNCYGYPWDXAMOR-UHFFFAOYSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737704644 598925536 /nfs/dbraw/zinc/92/55/36/598925536.db2.gz KNCYGYPWDXAMOR-UHFFFAOYSA-N 0 3 387.447 2.589 20 30 GFEDHN C=CCOc1cccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000735437158 598467770 /nfs/dbraw/zinc/46/77/70/598467770.db2.gz YOGCBFGPPCIYLY-UHFFFAOYSA-N 0 3 391.479 2.585 20 30 GFEDHN C=CCOc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000735437158 598467771 /nfs/dbraw/zinc/46/77/71/598467771.db2.gz YOGCBFGPPCIYLY-UHFFFAOYSA-N 0 3 391.479 2.585 20 30 GFEDHN C#CCN1CCC(C(=O)NCc2nc3ccc(Br)cc3o2)CC1 ZINC000822355548 660343849 /nfs/dbraw/zinc/34/38/49/660343849.db2.gz ZEOCNNIWBDVFKI-UHFFFAOYSA-N 0 3 376.254 2.552 20 30 GFEDHN C#CCN(C)CCCNC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000827114307 660479537 /nfs/dbraw/zinc/47/95/37/660479537.db2.gz ICNJKMSTBJSKME-UHFFFAOYSA-N 0 3 394.313 2.701 20 30 GFEDHN Cc1c(Br)c2ccccc2n1CC(=O)C(C#N)C(=O)NC(C)C ZINC000125599710 654799130 /nfs/dbraw/zinc/79/91/30/654799130.db2.gz NSCOLNUEOKXWOZ-CYBMUJFWSA-N 0 3 376.254 2.946 20 30 GFEDHN COc1ccc(CNCCNC(=O)c2ccc(Br)cc2)cc1C#N ZINC000174296167 655197886 /nfs/dbraw/zinc/19/78/86/655197886.db2.gz ZADDKRSONMQZPC-UHFFFAOYSA-N 0 3 388.265 2.849 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 ZINC000176781648 655256739 /nfs/dbraw/zinc/25/67/39/655256739.db2.gz VMWFGLHLBDRNBR-UHFFFAOYSA-N 0 3 377.432 2.843 20 30 GFEDHN CC(C)(C#N)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000118746950 655281636 /nfs/dbraw/zinc/28/16/36/655281636.db2.gz WQKIRSBNFQRDBS-UHFFFAOYSA-N 0 3 394.313 2.958 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566062720 655424505 /nfs/dbraw/zinc/42/45/05/655424505.db2.gz IOJACIORRNJZSS-BHDSKKPTSA-N 0 3 379.309 2.883 20 30 GFEDHN C=C1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000264468842 655464330 /nfs/dbraw/zinc/46/43/30/655464330.db2.gz MUXOFXDCWWFXJB-UHFFFAOYSA-N 0 3 385.917 2.571 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ncc(Br)cn2)CC1 ZINC000578948021 655489777 /nfs/dbraw/zinc/48/97/77/655489777.db2.gz XIHWDEVUIDVIHZ-GFCCVEGCSA-N 0 3 382.306 2.640 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCN1CCOCC1(C)C ZINC000728301960 655554510 /nfs/dbraw/zinc/55/45/10/655554510.db2.gz QBZIBJHCQUYYLO-UHFFFAOYSA-N 0 3 381.314 2.662 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCC(C)(C)S(C)(=O)=O ZINC000840964928 661221851 /nfs/dbraw/zinc/22/18/51/661221851.db2.gz YDZCVPOECOXHED-UHFFFAOYSA-N 0 3 388.327 2.764 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795347496 658809408 /nfs/dbraw/zinc/80/94/08/658809408.db2.gz BYMYHUGPEJPLDR-IRXDYDNUSA-N 0 3 379.229 2.816 20 30 GFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)NC1CCCC1 ZINC000796800754 658939935 /nfs/dbraw/zinc/93/99/35/658939935.db2.gz GIFYLRPCJAXYRT-CYBMUJFWSA-N 0 3 396.228 2.601 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2cccc(Br)c2)CC1 ZINC000799921200 659244887 /nfs/dbraw/zinc/24/48/87/659244887.db2.gz OWLJWINDHLPYAF-KRWDZBQOSA-N 0 3 396.329 2.822 20 30 GFEDHN N#CC(C(=O)c1cc(Br)cn2ccnc12)c1nnc2n1CCCCC2 ZINC000870163317 662677340 /nfs/dbraw/zinc/67/73/40/662677340.db2.gz XKVVATGRHILKBN-ZDUSSCGKSA-N 0 3 399.252 2.905 20 30 GFEDHN N#CC1(C[C@H](O)CNCc2cc(C(F)(F)F)cc(Cl)n2)CCOCC1 ZINC000872247385 662759242 /nfs/dbraw/zinc/75/92/42/662759242.db2.gz RWIWFRQHLJGURT-ZDUSSCGKSA-N 0 3 377.794 2.915 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Br)n1 ZINC000874245585 662826654 /nfs/dbraw/zinc/82/66/54/662826654.db2.gz IFPNBJBPNWJSAC-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000876636816 662864045 /nfs/dbraw/zinc/86/40/45/662864045.db2.gz DQWRWUPTWGMSRA-LLVKDONJSA-N 0 3 377.666 2.552 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000876765781 662866045 /nfs/dbraw/zinc/86/60/45/662866045.db2.gz XPZABMKHRLBJFT-BXUZGUMPSA-N 0 3 377.794 2.750 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000876982318 662869210 /nfs/dbraw/zinc/86/92/10/662869210.db2.gz XXWNJGKENBIKMY-QMMMGPOBSA-N 0 3 393.690 2.609 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1ccc(Br)cc1Cl)C2 ZINC000884106143 663065294 /nfs/dbraw/zinc/06/52/94/663065294.db2.gz HXVMXMINOVVXHY-BWBHSNQOSA-N 0 3 382.689 2.858 20 30 GFEDHN C#CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886574559 663114115 /nfs/dbraw/zinc/11/41/15/663114115.db2.gz KQQUTIHFWZEWKK-INIZCTEOSA-N 0 3 391.309 2.871 20 30 GFEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907392272 664030889 /nfs/dbraw/zinc/03/08/89/664030889.db2.gz CRCVTAJXDINMSH-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)C[C@@H](C)CC)nc1C ZINC000912214418 664276429 /nfs/dbraw/zinc/27/64/29/664276429.db2.gz MIPAKRCEOHWPPT-ONGXEEELSA-N 0 3 380.543 2.887 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNC[C@H]1CN(CC(C)C)CCO1 ZINC000920957198 664534778 /nfs/dbraw/zinc/53/47/78/664534778.db2.gz OEKGRFDAEHCYSA-SFHVURJKSA-N 0 3 395.341 2.908 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCC1(C2(O)CCOCC2)CC1 ZINC000922597630 664608053 /nfs/dbraw/zinc/60/80/53/664608053.db2.gz SQAFOAGPLOEGNO-UHFFFAOYSA-N 0 3 394.309 2.872 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)cc1Br ZINC000392756640 677410102 /nfs/dbraw/zinc/41/01/02/677410102.db2.gz IEGXMZYEZBVGPH-UHFFFAOYSA-N 0 3 388.103 2.897 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(c3cccc(Cl)c3)CC2)nc1 ZINC000580316278 677674135 /nfs/dbraw/zinc/67/41/35/677674135.db2.gz VNFLQLOWOPBWPO-UHFFFAOYSA-N 0 3 375.881 2.702 20 30 GFEDHN N#Cc1nc(Cl)c(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1C#N ZINC001164629332 719078969 /nfs/dbraw/zinc/07/89/69/719078969.db2.gz XKVCDQAFHQKRRK-MAUKXSAKSA-N 0 3 378.867 2.974 20 30 GFEDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)CC2 ZINC001164685978 719704731 /nfs/dbraw/zinc/70/47/31/719704731.db2.gz WBKKUPHHPRKBJP-UHFFFAOYSA-N 0 3 396.322 2.749 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164871501 721140076 /nfs/dbraw/zinc/14/00/76/721140076.db2.gz FCAGVHPOTIKKKD-NHCUHLMSSA-N 0 3 389.503 2.707 20 30 GFEDHN N#CCc1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164961621 722058375 /nfs/dbraw/zinc/05/83/75/722058375.db2.gz MWNWSIPKAGGBHB-UHFFFAOYSA-N 0 3 377.492 2.662 20 30 GFEDHN Cc1ccc(CC#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972668 722145211 /nfs/dbraw/zinc/14/52/11/722145211.db2.gz AGSXMRINPKJGFW-NHCUHLMSSA-N 0 3 377.492 2.578 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000120745706 551221755 /nfs/dbraw/zinc/22/17/55/551221755.db2.gz SYFVZJCRHAHWNO-GFCCVEGCSA-N 0 3 398.937 2.993 20 30 GFEDHN N#Cc1ccc(CN2CCN(CC3CCOCC3)CC2)c(Br)c1 ZINC000181116646 552247117 /nfs/dbraw/zinc/24/71/17/552247117.db2.gz RREYKFGWRTXJLR-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncc(Br)s1 ZINC000188663441 552451710 /nfs/dbraw/zinc/45/17/10/552451710.db2.gz XRUFWSTVLJAOFU-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)c(Cl)c1 ZINC000188867905 552457076 /nfs/dbraw/zinc/45/70/76/552457076.db2.gz NRROAZVDTLQRFC-SECBINFHSA-N 0 3 380.691 2.708 20 30 GFEDHN N#CCSCCCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000369901656 563228051 /nfs/dbraw/zinc/22/80/51/563228051.db2.gz XOSOOOWBPOUJOB-UHFFFAOYSA-N 0 3 387.958 2.730 20 30 GFEDHN O=C(NCCN[C@@H]1CCc2c1ccc(F)c2Br)C1N=CC=CC1=O ZINC000295299614 563241328 /nfs/dbraw/zinc/24/13/28/563241328.db2.gz XMKJUVVDYLLNQC-VLUKHXRESA-N 0 3 394.244 2.692 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)C[C@H]1N(C)C ZINC000330829397 563523181 /nfs/dbraw/zinc/52/31/81/563523181.db2.gz TUUMHAAZQZQCIJ-VXGBXAGGSA-N 0 3 378.420 2.546 20 30 GFEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000408007814 563541465 /nfs/dbraw/zinc/54/14/65/563541465.db2.gz JLKMGXVNAKLVLH-QWHCGFSZSA-N 0 3 398.326 2.568 20 30 GFEDHN CN1CCN([C@H]2CCCCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000367868460 563858128 /nfs/dbraw/zinc/85/81/28/563858128.db2.gz UOKZVKICJBUZAJ-IBGZPJMESA-N 0 3 391.357 2.923 20 30 GFEDHN COCCCN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448877798 563902790 /nfs/dbraw/zinc/90/27/90/563902790.db2.gz KCBWRVGSLGJHQY-UHFFFAOYSA-N 0 3 380.286 2.551 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000538179856 564184631 /nfs/dbraw/zinc/18/46/31/564184631.db2.gz KMGABURDJFEBRB-MRXNPFEDSA-N 0 3 380.286 2.892 20 30 GFEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000452083757 564389344 /nfs/dbraw/zinc/38/93/44/564389344.db2.gz LWQUSCOWZXRBFB-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN N#Cc1csc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000568936574 564441706 /nfs/dbraw/zinc/44/17/06/564441706.db2.gz SEWARBPKYHUXFG-UHFFFAOYSA-N 0 3 375.929 2.970 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000520710329 564611003 /nfs/dbraw/zinc/61/10/03/564611003.db2.gz NGSSQTCQJBLWRD-UHFFFAOYSA-N 0 3 382.302 2.907 20 30 GFEDHN C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCCn1cnc(C#N)n1 ZINC000552341725 564687495 /nfs/dbraw/zinc/68/74/95/564687495.db2.gz UROYSTPVAAZBHV-ZUZCIYMTSA-N 0 3 378.299 2.985 20 30 GFEDHN CC(C)(C)c1csc(CCNCCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000591734561 565237692 /nfs/dbraw/zinc/23/76/92/565237692.db2.gz PAUDPHWLOKKRAA-UHFFFAOYSA-N 0 3 377.535 2.918 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCC[C@@H]2C(F)(F)F)nc1 ZINC000591749654 565238898 /nfs/dbraw/zinc/23/88/98/565238898.db2.gz HVFLRCCKADSJQM-KGLIPLIRSA-N 0 3 375.416 2.685 20 30 GFEDHN C=CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H](C)COC ZINC000661240897 565316288 /nfs/dbraw/zinc/31/62/88/565316288.db2.gz SQISXJCWADOUBM-SWLSCSKDSA-N 0 3 376.266 2.851 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H](CN)C(F)(F)F ZINC000596048315 565509288 /nfs/dbraw/zinc/50/92/88/565509288.db2.gz ACUDDCVLTKHCLX-GFCCVEGCSA-N 0 3 377.413 2.592 20 30 GFEDHN N#Cc1cccc(OC2CC[NH+](CCOc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737730964 598250989 /nfs/dbraw/zinc/25/09/89/598250989.db2.gz UEUVNQITTKZKCI-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000735418638 598483326 /nfs/dbraw/zinc/48/33/26/598483326.db2.gz HTPXWFLOQNRNQO-IRXDYDNUSA-N 0 3 397.527 2.827 20 30 GFEDHN CCC[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1 ZINC000821094988 599303151 /nfs/dbraw/zinc/30/31/51/599303151.db2.gz WALIYLWKCZJIHC-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1 ZINC000821094988 599303153 /nfs/dbraw/zinc/30/31/53/599303153.db2.gz WALIYLWKCZJIHC-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000821094988 599303155 /nfs/dbraw/zinc/30/31/55/599303155.db2.gz WALIYLWKCZJIHC-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000821094988 599303157 /nfs/dbraw/zinc/30/31/57/599303157.db2.gz WALIYLWKCZJIHC-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000820843103 599438417 /nfs/dbraw/zinc/43/84/17/599438417.db2.gz SZSCBWQVHQBQNQ-INIZCTEOSA-N 0 3 378.436 2.846 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000820087701 606888522 /nfs/dbraw/zinc/88/85/22/606888522.db2.gz XIKIARSORUIQPB-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000820087701 606888524 /nfs/dbraw/zinc/88/85/24/606888524.db2.gz XIKIARSORUIQPB-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000820087701 606888527 /nfs/dbraw/zinc/88/85/27/606888527.db2.gz XIKIARSORUIQPB-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000820087701 606888529 /nfs/dbraw/zinc/88/85/29/606888529.db2.gz XIKIARSORUIQPB-HXUWFJFHSA-N 0 3 376.464 2.930 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000817821303 660209461 /nfs/dbraw/zinc/20/94/61/660209461.db2.gz QONAGTCWDYSROB-UHFFFAOYSA-N 0 3 387.281 2.919 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000838622643 661051074 /nfs/dbraw/zinc/05/10/74/661051074.db2.gz WXOPSMGKKYPDTJ-MRXNPFEDSA-N 0 3 379.302 2.646 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)n1 ZINC000173898711 655184107 /nfs/dbraw/zinc/18/41/07/655184107.db2.gz UFFALQJPPKYVON-OAHLLOKOSA-N 0 3 375.475 2.790 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)nc1 ZINC000115074593 655232217 /nfs/dbraw/zinc/23/22/17/655232217.db2.gz JOONRTSEQZBRTN-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000177593060 655283128 /nfs/dbraw/zinc/28/31/28/655283128.db2.gz OOOZGYWLYUTSOT-LBPRGKRZSA-N 0 3 387.299 2.695 20 30 GFEDHN N#CC(C(=O)COc1ccc(Br)cc1Cl)C(=O)N1CCCC1 ZINC000193354579 655409747 /nfs/dbraw/zinc/40/97/47/655409747.db2.gz VOAXHUHCCUXWOJ-LLVKDONJSA-N 0 3 385.645 2.813 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCN1CCC(OC)CC1 ZINC000751148244 655822072 /nfs/dbraw/zinc/82/20/72/655822072.db2.gz OVYNQYDFJMVGEW-UHFFFAOYSA-N 0 3 381.314 2.662 20 30 GFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000787041500 657509310 /nfs/dbraw/zinc/50/93/10/657509310.db2.gz ZYDJKJBPDJWTHX-LSDHHAIUSA-N 0 3 389.253 2.622 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2SC)cc1Cl ZINC000791772215 658174614 /nfs/dbraw/zinc/17/46/14/658174614.db2.gz ZUVHPWICARXDIL-JTQLQIEISA-N 0 3 378.841 2.765 20 30 GFEDHN C#CCN1CCC(C(=O)NCc2ccc(I)c(C)c2)CC1 ZINC000798523570 659115452 /nfs/dbraw/zinc/11/54/52/659115452.db2.gz MHSBUIRCZFTJKR-UHFFFAOYSA-N 0 3 396.272 2.561 20 30 GFEDHN CC1C(NN=c2ncc(Br)c[nH]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000848420792 661646460 /nfs/dbraw/zinc/64/64/60/661646460.db2.gz LHTKRAAQJJGKKX-MRVPVSSYSA-N 0 3 384.234 2.563 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn2c(n1)COCC2 ZINC000860473987 662202303 /nfs/dbraw/zinc/20/23/03/662202303.db2.gz UPYZKIKRMNIHGV-JTQLQIEISA-N 0 3 379.203 2.681 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876775379 662866297 /nfs/dbraw/zinc/86/62/97/662866297.db2.gz AITWPQODTMULMW-JQWIXIFHSA-N 0 3 397.228 2.919 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCc1cc(Cl)ccc1Br)C2 ZINC000884328433 663069039 /nfs/dbraw/zinc/06/90/39/663069039.db2.gz PXZPOFBXEDGHSR-UIORMTCPSA-N 0 3 396.716 2.901 20 30 GFEDHN N#Cc1ncn(CCNCc2cc(Br)c(Br)s2)n1 ZINC000886114697 663103585 /nfs/dbraw/zinc/10/35/85/663103585.db2.gz VKFUQHATQHUAOI-UHFFFAOYSA-N 0 3 391.092 2.526 20 30 GFEDHN C#CCN(C(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12)C1CCN(C)CC1 ZINC000886572516 663113992 /nfs/dbraw/zinc/11/39/92/663113992.db2.gz ORWPLWCOYQUUIA-IPMKNSEASA-N 0 3 387.321 2.891 20 30 GFEDHN C#CCN(C(=O)CCc1ccc(OC)c(Br)c1)C1CCN(C)CC1 ZINC000886585194 663114285 /nfs/dbraw/zinc/11/42/85/663114285.db2.gz LZEFCXQZOVTQPV-UHFFFAOYSA-N 0 3 393.325 2.946 20 30 GFEDHN N#Cc1ccc(CN2CCC(NCc3ncc(Br)cn3)CC2)cc1 ZINC000903320792 663781702 /nfs/dbraw/zinc/78/17/02/663781702.db2.gz QQGWRXFXCKESCB-UHFFFAOYSA-N 0 3 386.297 2.865 20 30 GFEDHN N#CC1(C[C@H](O)CN2CC(Cc3cccc(Br)c3)C2)CCOCC1 ZINC000905979978 663904756 /nfs/dbraw/zinc/90/47/56/663904756.db2.gz YGBRNSXDSNNXOB-SFHVURJKSA-N 0 3 393.325 2.995 20 30 GFEDHN C#CCN(C(=O)NCc1cc(OC)ccc1Br)C1CCN(C)CC1 ZINC000914259703 664391953 /nfs/dbraw/zinc/39/19/53/664391953.db2.gz YZYTUAJHZNTJNV-UHFFFAOYSA-N 0 3 394.313 2.697 20 30 GFEDHN N#CC(C(=O)Cn1cc(Br)cn1)C(=O)Nc1ccccc1Cl ZINC000916913647 664474009 /nfs/dbraw/zinc/47/40/09/664474009.db2.gz YBFVHISRVUENHO-JTQLQIEISA-N 0 3 381.617 2.647 20 30 GFEDHN N#Cc1c2c(cnc1N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164866671 721189737 /nfs/dbraw/zinc/18/97/37/721189737.db2.gz BSGZDWHKOYTZPR-VQTJNVASSA-N 0 3 389.503 2.707 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)S(C)(=O)=O ZINC000156149990 551516087 /nfs/dbraw/zinc/51/60/87/551516087.db2.gz NZKFHHBMTUGNKY-JTQLQIEISA-N 0 3 378.263 2.536 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1I ZINC000424120863 563371045 /nfs/dbraw/zinc/37/10/45/563371045.db2.gz FISDSNJDAVJZON-HUUCEWRRSA-N 0 3 397.260 2.976 20 30 GFEDHN O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCN2CCC[C@H]2C1 ZINC000329979437 563492707 /nfs/dbraw/zinc/49/27/07/563492707.db2.gz JOIMNJZNXJIUSD-AWEZNQCLSA-N 0 3 390.285 2.960 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@@H](CO)Cc3cccc(Br)c3)n2c1 ZINC000428539386 563494536 /nfs/dbraw/zinc/49/45/36/563494536.db2.gz SIKZKKUBEMZKIJ-INIZCTEOSA-N 0 3 399.292 2.909 20 30 GFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000332075872 563575207 /nfs/dbraw/zinc/57/52/07/563575207.db2.gz FZPHTTWXCUVKAE-DOMZBBRYSA-N 0 3 398.326 2.568 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCCC(=O)N2)cc1OC ZINC000433190711 563605618 /nfs/dbraw/zinc/60/56/18/563605618.db2.gz WMXWCUNNSIXRRE-ZDUSSCGKSA-N 0 3 383.286 2.781 20 30 GFEDHN CN(C)CCN(Cc1c(Br)cnn1C)Cc1ccc(C#N)cc1 ZINC000289745686 563685034 /nfs/dbraw/zinc/68/50/34/563685034.db2.gz IVFWNKVLUAKJMA-UHFFFAOYSA-N 0 3 376.302 2.618 20 30 GFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000364868318 563767071 /nfs/dbraw/zinc/76/70/71/563767071.db2.gz DDKQWRTUZHSXPI-KXBFYZLASA-N 0 3 391.357 2.779 20 30 GFEDHN C=CCOc1c(Br)cc(CN2CC[C@H]3C(=O)NC[C@H]3C2)cc1OC ZINC000365659733 563789675 /nfs/dbraw/zinc/78/96/75/563789675.db2.gz NSVCRVMFWHZVND-UONOGXRCSA-N 0 3 395.297 2.590 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1CN1CCCC1 ZINC000449818366 564203561 /nfs/dbraw/zinc/20/35/61/564203561.db2.gz DVCRIFVPEJKEBP-AWEZNQCLSA-N 0 3 392.297 2.786 20 30 GFEDHN C=CCOc1c(Br)cc(CNC2(CC(N)=O)CCC2)cc1OC ZINC000475102512 564300410 /nfs/dbraw/zinc/30/04/10/564300410.db2.gz UFIVYWADGAOTRC-UHFFFAOYSA-N 0 3 383.286 2.910 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546072637 564443237 /nfs/dbraw/zinc/44/32/37/564443237.db2.gz HQARCRLCPMEMCJ-UHFFFAOYSA-N 0 3 383.480 2.996 20 30 GFEDHN N#Cc1ccc(CNC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000552016738 564673406 /nfs/dbraw/zinc/67/34/06/564673406.db2.gz PUZAAMQRLXMPLQ-CQSZACIVSA-N 0 3 379.482 2.559 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1N(C)C ZINC000487899090 564699257 /nfs/dbraw/zinc/69/92/57/564699257.db2.gz QTNVXJRYKMCXAZ-ZIAGYGMSSA-N 0 3 383.315 2.830 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000582315479 564840537 /nfs/dbraw/zinc/84/05/37/564840537.db2.gz SAZWUUYFZNWKON-CQSZACIVSA-N 0 3 383.945 2.907 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000584167640 564923465 /nfs/dbraw/zinc/92/34/65/564923465.db2.gz BSDDMIHVUGUXTB-CXAGYDPISA-N 0 3 380.330 2.868 20 30 GFEDHN N[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000658407945 565168447 /nfs/dbraw/zinc/16/84/47/565168447.db2.gz SGLFRHNOOALCRR-GHMZBOCLSA-N 0 3 394.312 2.784 20 30 GFEDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccsc1C#N)C1CC1 ZINC000593578713 565344179 /nfs/dbraw/zinc/34/41/79/565344179.db2.gz NLEAMCYERZOJQR-INIZCTEOSA-N 0 3 375.519 2.809 20 30 GFEDHN Cn1ncc(Br)c1CNC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693375 565357260 /nfs/dbraw/zinc/35/72/60/565357260.db2.gz WRSIEPSEMUBUMS-UHFFFAOYSA-N 0 3 388.313 2.808 20 30 GFEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Br ZINC000594198939 565378155 /nfs/dbraw/zinc/37/81/55/565378155.db2.gz VVPZMAPWDNZMOG-SJORKVTESA-N 0 3 392.297 2.833 20 30 GFEDHN CC#CC[C@@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000641768824 565398795 /nfs/dbraw/zinc/39/87/95/565398795.db2.gz JHUHKWLYTDRJMW-NSHDSACASA-N 0 3 378.213 2.923 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000668370234 565644897 /nfs/dbraw/zinc/64/48/97/565644897.db2.gz RGBZQHMTAJAKHY-SJORKVTESA-N 0 3 394.313 2.688 20 30 GFEDHN C=C(C)CN(CC)C(=O)CN[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794305 565659439 /nfs/dbraw/zinc/65/94/39/565659439.db2.gz GGQRSHZRMLVSFW-IBGZPJMESA-N 0 3 395.341 2.683 20 30 GFEDHN CCC(C#N)C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600358302 565726206 /nfs/dbraw/zinc/72/62/06/565726206.db2.gz WIRQKNKCZBBRON-APPDUMDISA-N 0 3 379.254 2.516 20 30 GFEDHN COc1ccc(Br)cc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600719495 565747404 /nfs/dbraw/zinc/74/74/04/565747404.db2.gz DZSQJBVMIBBGDR-OAHLLOKOSA-N 0 3 383.286 2.619 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)C ZINC000819740443 606680503 /nfs/dbraw/zinc/68/05/03/606680503.db2.gz ZNWJRJMDXHJEJW-MRXNPFEDSA-N 0 3 390.438 2.573 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000819740443 606680504 /nfs/dbraw/zinc/68/05/04/606680504.db2.gz ZNWJRJMDXHJEJW-MRXNPFEDSA-N 0 3 390.438 2.573 20 30 GFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823888086 608427238 /nfs/dbraw/zinc/42/72/38/608427238.db2.gz FUCPGYVZBQYPGK-GOSISDBHSA-N 0 3 379.464 2.720 20 30 GFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823888086 608427240 /nfs/dbraw/zinc/42/72/40/608427240.db2.gz FUCPGYVZBQYPGK-GOSISDBHSA-N 0 3 379.464 2.720 20 30 GFEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000126652007 654817998 /nfs/dbraw/zinc/81/79/98/654817998.db2.gz MVLUGQZYWWHDPP-MRXNPFEDSA-N 0 3 387.233 2.853 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000266328908 654872510 /nfs/dbraw/zinc/87/25/10/654872510.db2.gz JMHWWQIIAQYLOO-AWEZNQCLSA-N 0 3 379.298 2.678 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccccc1Br ZINC000131937259 654922383 /nfs/dbraw/zinc/92/23/83/654922383.db2.gz AWENHPQYPPCGIC-AWEZNQCLSA-N 0 3 381.270 2.633 20 30 GFEDHN CSc1cc(Br)ccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000268056051 654957535 /nfs/dbraw/zinc/95/75/35/654957535.db2.gz WBTCURUDSKFEGH-NXVVXOECSA-N 0 3 396.310 2.787 20 30 GFEDHN COc1ccc(CNCCNC(=O)c2cccc(Br)c2)cc1C#N ZINC000174388304 655201232 /nfs/dbraw/zinc/20/12/32/655201232.db2.gz HKBONXVXSIFDAW-UHFFFAOYSA-N 0 3 388.265 2.849 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000121187719 655348313 /nfs/dbraw/zinc/34/83/13/655348313.db2.gz MQRVRNWWKBUZMC-AWEZNQCLSA-N 0 3 399.310 2.793 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cc(Br)c1 ZINC000328146017 655386879 /nfs/dbraw/zinc/38/68/79/655386879.db2.gz CZAVGSBKEYNEGY-UHFFFAOYSA-N 0 3 388.103 2.897 20 30 GFEDHN C[NH+]=C(NCc1ccc([O-])c(F)c1)N(C)Cc1cc(Br)cn1C ZINC000261816254 655442506 /nfs/dbraw/zinc/44/25/06/655442506.db2.gz TYCOCUSVTKOIAC-UHFFFAOYSA-N 0 3 383.265 2.840 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(CN(C)C)c(Br)c2)CC1 ZINC000786670826 657452269 /nfs/dbraw/zinc/45/22/69/657452269.db2.gz OFPBGIDOIHVSPY-UHFFFAOYSA-N 0 3 378.314 2.794 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000796482451 658919596 /nfs/dbraw/zinc/91/95/96/658919596.db2.gz MKSCILZYTVCAIG-YOEHRIQHSA-N 0 3 384.929 2.550 20 30 GFEDHN CCN(C(=O)COc1ccc(C#N)c(Br)c1)C1CCN(C)CC1 ZINC000861889966 662262356 /nfs/dbraw/zinc/26/23/56/662262356.db2.gz APQLHGLRGSCYDU-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN N#CC1(C[C@@H](O)CNCc2cc(C(F)(F)F)cc(Cl)n2)CCOCC1 ZINC000872247384 662759203 /nfs/dbraw/zinc/75/92/03/662759203.db2.gz RWIWFRQHLJGURT-CYBMUJFWSA-N 0 3 377.794 2.915 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733334 662865479 /nfs/dbraw/zinc/86/54/79/662865479.db2.gz VSJGSCGJOYRIID-SWLSCSKDSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000876890880 662867633 /nfs/dbraw/zinc/86/76/33/662867633.db2.gz LCHXABOYFPDZSB-OFQRWUPVSA-N 0 3 375.822 2.825 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876177 662908040 /nfs/dbraw/zinc/90/80/40/662908040.db2.gz TXVZBTQLPYBXPX-AEFFLSMTSA-N 0 3 388.265 2.902 20 30 GFEDHN COc1cc(Br)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1OC ZINC000884100341 663065063 /nfs/dbraw/zinc/06/50/63/663065063.db2.gz RAPAFDLQFAWBOJ-GCULGPDHSA-N 0 3 394.269 2.544 20 30 GFEDHN C#CCN(C(=O)c1cc(C)cc(I)c1)C1CCN(C)CC1 ZINC000886570871 663113912 /nfs/dbraw/zinc/11/39/12/663113912.db2.gz ACDFSDLDRVQGLO-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN CCOCC[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941160 664843503 /nfs/dbraw/zinc/84/35/03/664843503.db2.gz ATLSQSVTMMLTIL-IVZWLZJFSA-N 0 3 385.295 2.877 20 30 GFEDHN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866307 721050032 /nfs/dbraw/zinc/05/00/32/721050032.db2.gz DVHZAZQKHGBFFF-IRXDYDNUSA-N 0 3 383.883 2.790 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)S(C)(=O)=O ZINC000156150113 551516013 /nfs/dbraw/zinc/51/60/13/551516013.db2.gz NZKFHHBMTUGNKY-SNVBAGLBSA-N 0 3 378.263 2.536 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(I)ccc2C)CC1 ZINC000178232709 552167456 /nfs/dbraw/zinc/16/74/56/552167456.db2.gz UKHRBICIUJGEEV-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)CC1 ZINC000190554558 552500630 /nfs/dbraw/zinc/50/06/30/552500630.db2.gz GLFGMHUCECODTC-UHFFFAOYSA-N 0 3 394.313 2.771 20 30 GFEDHN CN(Cc1ccccc1Br)C(=O)CCNCc1cc(C#N)n(C)c1 ZINC000190994268 552515683 /nfs/dbraw/zinc/51/56/83/552515683.db2.gz ZHBUJXKBLZHDJG-UHFFFAOYSA-N 0 3 389.297 2.798 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1I ZINC000424120857 563370807 /nfs/dbraw/zinc/37/08/07/563370807.db2.gz FISDSNJDAVJZON-CABCVRRESA-N 0 3 397.260 2.976 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000424111705 563370938 /nfs/dbraw/zinc/37/09/38/563370938.db2.gz HARCXLSAPOWPBO-MRXNPFEDSA-N 0 3 394.313 2.635 20 30 GFEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000375017302 563387910 /nfs/dbraw/zinc/38/79/10/563387910.db2.gz HEYWETUTKJCOAH-BGTYHANMSA-N 0 3 382.913 2.943 20 30 GFEDHN CN(CCN1CCN(c2snc(Cl)c2C#N)CC1)Cc1ccccc1 ZINC000301163744 563395324 /nfs/dbraw/zinc/39/53/24/563395324.db2.gz CEOAZSATZCYJRQ-UHFFFAOYSA-N 0 3 375.929 2.922 20 30 GFEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000425097516 563404276 /nfs/dbraw/zinc/40/42/76/563404276.db2.gz IAJWGNRLVMBSNN-UHFFFAOYSA-N 0 3 390.285 2.899 20 30 GFEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282761459 563423774 /nfs/dbraw/zinc/42/37/74/563423774.db2.gz VJXINFONVRGXNT-IAQYHMDHSA-N 0 3 375.416 2.538 20 30 GFEDHN CSc1cc2c(cc1NC(=O)NC[C@]1(N(C)C)CCSC1)OCCO2 ZINC000330101721 563495517 /nfs/dbraw/zinc/49/55/17/563495517.db2.gz FQPFOPIBNJLYFX-QGZVFWFLSA-N 0 3 383.539 2.943 20 30 GFEDHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394996 563553676 /nfs/dbraw/zinc/55/36/76/563553676.db2.gz LMIXHVOBVVCMJS-KBPBESRZSA-N 0 3 398.326 2.568 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2c(Cl)cccc2Cl)CC1 ZINC000286742732 563573096 /nfs/dbraw/zinc/57/30/96/563573096.db2.gz SFDUAAMSOUUDAZ-UHFFFAOYSA-N 0 3 384.307 2.718 20 30 GFEDHN COc1cc(CNCCNC(=O)c2ccc(Br)cc2)ccc1C#N ZINC000440805497 563750264 /nfs/dbraw/zinc/75/02/64/563750264.db2.gz PRHYFBFBTSFDBA-UHFFFAOYSA-N 0 3 388.265 2.849 20 30 GFEDHN COCCCN1CCC(NC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294551213 563846568 /nfs/dbraw/zinc/84/65/68/563846568.db2.gz MRHICABREXKHRH-UHFFFAOYSA-N 0 3 380.286 2.551 20 30 GFEDHN C=CCC[C@@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449701906 564197890 /nfs/dbraw/zinc/19/78/90/564197890.db2.gz XVGKSPKPJBXPOA-LBPRGKRZSA-N 0 3 376.194 2.616 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)NCCN1CCCCCC1 ZINC000449523298 564189585 /nfs/dbraw/zinc/18/95/85/564189585.db2.gz YFGDTNWVPUXLQM-UHFFFAOYSA-N 0 3 380.286 2.692 20 30 GFEDHN CC1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449614640 564192855 /nfs/dbraw/zinc/19/28/55/564192855.db2.gz WHZPRCXGKVAGDK-UHFFFAOYSA-N 0 3 380.286 2.548 20 30 GFEDHN N#Cc1ccc(OCC(=O)N2CCC[C@@H]2CN2CCCC2)cc1Br ZINC000449819272 564203765 /nfs/dbraw/zinc/20/37/65/564203765.db2.gz HYMAGMQOUANMEF-OAHLLOKOSA-N 0 3 392.297 2.786 20 30 GFEDHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449926614 564209450 /nfs/dbraw/zinc/20/94/50/564209450.db2.gz MNXXCNQWGOVSLW-JSGCOSHPSA-N 0 3 380.286 2.641 20 30 GFEDHN C=CCn1c(SC[C@H](O)CN(C)CC)nc2sc3c(c2c1=O)CCC3 ZINC000565224664 564271807 /nfs/dbraw/zinc/27/18/07/564271807.db2.gz LUSIVKCWKNOYJN-GFCCVEGCSA-N 0 3 379.551 2.537 20 30 GFEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1cccc(Br)c1C#N ZINC000451687934 564340374 /nfs/dbraw/zinc/34/03/74/564340374.db2.gz ITBCGLGEYKZBGY-KBPBESRZSA-N 0 3 392.297 2.785 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@@H](CCO)c2ccccc2Br)CC1 ZINC000543823675 564365225 /nfs/dbraw/zinc/36/52/25/564365225.db2.gz RZJZDJPAQGWENP-KRWDZBQOSA-N 0 3 396.329 2.822 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCCC1 ZINC000567851172 564392771 /nfs/dbraw/zinc/39/27/71/564392771.db2.gz YAHRETJDXKOLPV-CQSZACIVSA-N 0 3 386.315 2.507 20 30 GFEDHN Cc1cc(CNCCNS(=O)(=O)c2ccc(Cl)cc2C)ccc1C#N ZINC000513007739 564417872 /nfs/dbraw/zinc/41/78/72/564417872.db2.gz VQKRNWDZBUYUIF-UHFFFAOYSA-N 0 3 377.897 2.897 20 30 GFEDHN CC(C#N)C(=O)N1Cc2cc(Br)c(NC(=O)[C@H](C)C#N)cc2C1 ZINC000480803482 564489169 /nfs/dbraw/zinc/48/91/69/564489169.db2.gz UNWNJIDYYINMMQ-NXEZZACHSA-N 0 3 375.226 2.549 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000486669923 564662085 /nfs/dbraw/zinc/66/20/85/564662085.db2.gz INBXBRQMNCLUAT-BXUZGUMPSA-N 0 3 384.237 2.670 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000553760353 564735031 /nfs/dbraw/zinc/73/50/31/564735031.db2.gz BXELJWZKMAOYEO-DZGCQCFKSA-N 0 3 375.778 2.928 20 30 GFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000657835268 565132716 /nfs/dbraw/zinc/13/27/16/565132716.db2.gz PDQIYEIBYWSJOO-NVXWUHKLSA-N 0 3 384.567 2.994 20 30 GFEDHN C=CCN(CCc1ccco1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000638918294 565218479 /nfs/dbraw/zinc/21/84/79/565218479.db2.gz PEJOXMFVIZSRFM-UHFFFAOYSA-N 0 3 399.310 2.920 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195191 565378703 /nfs/dbraw/zinc/37/87/03/565378703.db2.gz CXZUZXGJIIJHLT-JKSUJKDBSA-N 0 3 392.297 2.833 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000594431004 565384568 /nfs/dbraw/zinc/38/45/68/565384568.db2.gz FNEPHJLIVIDXAR-HOTGVXAUSA-N 0 3 380.286 2.760 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594441328 565385725 /nfs/dbraw/zinc/38/57/25/565385725.db2.gz QWIXXNCBMAAKFE-WMLDXEAASA-N 0 3 393.329 2.803 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000594438637 565385793 /nfs/dbraw/zinc/38/57/93/565385793.db2.gz PDITYEIVNTUSFR-WMLDXEAASA-N 0 3 393.329 2.803 20 30 GFEDHN N#CC1(C[C@@H](O)CN(CCO)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000599341130 565671574 /nfs/dbraw/zinc/67/15/74/565671574.db2.gz HDVGUBVTOCZFEF-OAHLLOKOSA-N 0 3 387.307 2.859 20 30 GFEDHN COc1ccc(CNC[C@@H](O)COc2ccccc2C#N)cc1Br ZINC000600722663 565746403 /nfs/dbraw/zinc/74/64/03/565746403.db2.gz KEOQOEFDQKLLRK-OAHLLOKOSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1cc(NCC2CCN(Cc3ccncc3)CC2)ncc1Br ZINC000603408694 565903486 /nfs/dbraw/zinc/90/34/86/565903486.db2.gz NYBNEBDTLWZNRZ-UHFFFAOYSA-N 0 3 386.297 2.857 20 30 GFEDHN N#Cc1c(Br)cccc1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000603424432 565904690 /nfs/dbraw/zinc/90/46/90/565904690.db2.gz VSPOUBCPKKUKIJ-HNNXBMFYSA-N 0 3 393.329 2.529 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739782 599668738 /nfs/dbraw/zinc/66/87/38/599668738.db2.gz HJUIBZZRSZWSQU-LPHOPBHVSA-N 0 3 397.527 2.926 20 30 GFEDHN C=CCNc1nnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)s1 ZINC000005784850 654449361 /nfs/dbraw/zinc/44/93/61/654449361.db2.gz NNIMFHLONJKFDF-CQSZACIVSA-N 0 3 377.539 2.647 20 30 GFEDHN N#CC(C(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccn1 ZINC000041482363 654627518 /nfs/dbraw/zinc/62/75/18/654627518.db2.gz MKRMPEUVVDQOTP-CQSZACIVSA-N 0 3 397.232 2.821 20 30 GFEDHN N#CC(C(=O)CSCc1ccc(Br)cc1F)C(=O)NC1CC1 ZINC000127660486 654833676 /nfs/dbraw/zinc/83/36/76/654833676.db2.gz PNRSNJYGBXGNOK-LBPRGKRZSA-N 0 3 385.258 2.809 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000121182304 655348351 /nfs/dbraw/zinc/34/83/51/655348351.db2.gz HSLYBDSQNPWHIX-LLVKDONJSA-N 0 3 397.909 2.929 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1ccc(I)c(Cl)c1 ZINC000328094398 655386724 /nfs/dbraw/zinc/38/67/24/655386724.db2.gz JLPZRWKMKGALSS-UHFFFAOYSA-N 0 3 390.652 2.630 20 30 GFEDHN N#Cc1ccccc1CSCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000575796942 655437241 /nfs/dbraw/zinc/43/72/41/655437241.db2.gz UKWMNSSWRJJFPA-UHFFFAOYSA-N 0 3 378.494 2.994 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)C(=O)Cc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000774261505 656510487 /nfs/dbraw/zinc/51/04/87/656510487.db2.gz ZWNYGFPZDLAGIR-QMTHXVAHSA-N 0 3 379.247 2.856 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000796482442 658919581 /nfs/dbraw/zinc/91/95/81/658919581.db2.gz MKSCILZYTVCAIG-PBHICJAKSA-N 0 3 384.929 2.550 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC000842689971 661349543 /nfs/dbraw/zinc/34/95/43/661349543.db2.gz LVCLXFUIEMMOAZ-SMDDNHRTSA-N 0 3 379.254 2.891 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000876632772 662863845 /nfs/dbraw/zinc/86/38/45/662863845.db2.gz IODWMNGHLYPCHN-LBPRGKRZSA-N 0 3 388.693 2.672 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000876765782 662866058 /nfs/dbraw/zinc/86/60/58/662866058.db2.gz XPZABMKHRLBJFT-FZMZJTMJSA-N 0 3 377.794 2.750 20 30 GFEDHN N#Cc1ccc(C2(NC[C@@H](O)c3cc(Br)no3)CCOCC2)cc1 ZINC000879054941 662914955 /nfs/dbraw/zinc/91/49/55/662914955.db2.gz YWUUSMSUVAINRL-CQSZACIVSA-N 0 3 392.253 2.638 20 30 GFEDHN Cc1cc(Br)cc(C)c1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884111296 663065362 /nfs/dbraw/zinc/06/53/62/663065362.db2.gz HAZDMEUQIAKSEU-TXKKKEFDSA-N 0 3 376.298 2.822 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906812329 663973121 /nfs/dbraw/zinc/97/31/21/663973121.db2.gz KFDDZKDUSMEONC-UHFFFAOYSA-N 0 3 378.523 2.547 20 30 GFEDHN C#CCN(C(=O)NCc1cc(Br)ccc1OC)C1CCN(C)CC1 ZINC000915453083 664431171 /nfs/dbraw/zinc/43/11/71/664431171.db2.gz WJOJUPHKFOXGPS-UHFFFAOYSA-N 0 3 394.313 2.697 20 30 GFEDHN C#CCN(C(=O)NCc1cc(Br)ccc1C)C1CCN(C)CC1 ZINC000922120244 664586662 /nfs/dbraw/zinc/58/66/62/664586662.db2.gz DGPKYKFQLJOMBA-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(C#N)c2)c2c1CCNC2 ZINC001164681628 719621863 /nfs/dbraw/zinc/62/18/63/719621863.db2.gz JTMYZOUYGWVMBI-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(C#N)cc(Cl)n2)c2c1CCNC2 ZINC001164682604 719625097 /nfs/dbraw/zinc/62/50/97/719625097.db2.gz OGPNNDGZBGCLDB-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN CC(C)c1ccc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164869491 721054326 /nfs/dbraw/zinc/05/43/26/721054326.db2.gz SZTAODCFQQSGFQ-VQTJNVASSA-N 0 3 377.492 2.951 20 30 GFEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1CC#N ZINC001164972719 722145695 /nfs/dbraw/zinc/14/56/95/722145695.db2.gz AJVJBSBABBBLGG-SFTDATJTSA-N 0 3 377.492 2.578 20 30 GFEDHN C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CN1CCCC1 ZINC000055265175 551172269 /nfs/dbraw/zinc/17/22/69/551172269.db2.gz ZLAUGMQJUOPPID-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)cn1C ZINC000128532902 551349987 /nfs/dbraw/zinc/34/99/87/551349987.db2.gz WGFGWAIXDAFUGL-UHFFFAOYSA-N 0 3 389.297 2.863 20 30 GFEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157616686 551540368 /nfs/dbraw/zinc/54/03/68/551540368.db2.gz IGRALWBBPHJRLP-GFCCVEGCSA-N 0 3 375.416 2.539 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000175788973 552129300 /nfs/dbraw/zinc/12/93/00/552129300.db2.gz VWUBQNFFNOZNIM-HNNXBMFYSA-N 0 3 384.977 2.983 20 30 GFEDHN CSCC[C@@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183190556 552302778 /nfs/dbraw/zinc/30/27/78/552302778.db2.gz YQUJEXJAMCRLSQ-CVEARBPZSA-N 0 3 380.583 2.530 20 30 GFEDHN C=CCOc1c(Br)cc(CNCC2(O)CCOCC2)cc1OC ZINC000237133641 553075394 /nfs/dbraw/zinc/07/53/94/553075394.db2.gz LWRDPLVQIMPDNP-UHFFFAOYSA-N 0 3 386.286 2.654 20 30 GFEDHN O=C(NCCN[C@H]1CCc2c1ccc(F)c2Br)C1N=CC=CC1=O ZINC000295299617 563241255 /nfs/dbraw/zinc/24/12/55/563241255.db2.gz XMKJUVVDYLLNQC-WPCFGXOUSA-N 0 3 394.244 2.692 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424213937 563373648 /nfs/dbraw/zinc/37/36/48/563373648.db2.gz WAIFOFSHTBBHRV-GFCCVEGCSA-N 0 3 391.640 2.582 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425098530 563404629 /nfs/dbraw/zinc/40/46/29/563404629.db2.gz LUUNBIKFNYNNND-PBHICJAKSA-N 0 3 396.329 2.977 20 30 GFEDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000329274600 563477579 /nfs/dbraw/zinc/47/75/79/563477579.db2.gz BFBIWHLRMLATOE-ZDUSSCGKSA-N 0 3 384.311 2.661 20 30 GFEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000286628326 563567985 /nfs/dbraw/zinc/56/79/85/563567985.db2.gz IJSZIKYIPHDANA-BLLLJJGKSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 ZINC000442108714 563768488 /nfs/dbraw/zinc/76/84/88/563768488.db2.gz BEWHJXIJLFWPDA-LBPRGKRZSA-N 0 3 381.860 2.980 20 30 GFEDHN C=CCNC(=O)[C@H](C)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000293542617 563818075 /nfs/dbraw/zinc/81/80/75/563818075.db2.gz KKYYTRRURVQESI-ZDUSSCGKSA-N 0 3 399.304 2.960 20 30 GFEDHN N#Cc1ccc(OCC(=O)NCCN2CCCCCC2)cc1Br ZINC000449519301 564189723 /nfs/dbraw/zinc/18/97/23/564189723.db2.gz PTRLHCNINOLFPW-UHFFFAOYSA-N 0 3 380.286 2.692 20 30 GFEDHN C[C@H]1CN(CCCCNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000450120985 564218472 /nfs/dbraw/zinc/21/84/72/564218472.db2.gz HTWPURQBCNWQRO-KBPBESRZSA-N 0 3 394.313 2.940 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000564353517 564230171 /nfs/dbraw/zinc/23/01/71/564230171.db2.gz ATUCYOGMFCLBMT-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1N1CCCC1 ZINC000450582171 564239567 /nfs/dbraw/zinc/23/95/67/564239567.db2.gz RPHKOGWTHCNGNG-HUUCEWRRSA-N 0 3 394.338 2.973 20 30 GFEDHN COc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1Br ZINC000566109014 564310239 /nfs/dbraw/zinc/31/02/39/564310239.db2.gz IJVWEFKSGNCNKN-HNNXBMFYSA-N 0 3 391.265 2.859 20 30 GFEDHN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000567806367 564390241 /nfs/dbraw/zinc/39/02/41/564390241.db2.gz BTOZLXUCEAEBPF-PBHICJAKSA-N 0 3 393.329 2.675 20 30 GFEDHN N#Cc1ccc2c(c1)[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000568333397 564415080 /nfs/dbraw/zinc/41/50/80/564415080.db2.gz ZKGSMIVBJXXDFT-GOSISDBHSA-N 0 3 375.881 2.767 20 30 GFEDHN Cc1nc(SCC(=O)NC[C@@]2(N(C)C)CCSC2)c(C#N)c(C)c1C ZINC000481199346 564504867 /nfs/dbraw/zinc/50/48/67/564504867.db2.gz FFPWARSFGMUQCC-SFHVURJKSA-N 0 3 378.567 2.524 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000551042103 564635795 /nfs/dbraw/zinc/63/57/95/564635795.db2.gz IPJQPWUMCZKGCR-UHFFFAOYSA-N 0 3 383.945 2.764 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1N(C)C ZINC000487899089 564698967 /nfs/dbraw/zinc/69/89/67/564698967.db2.gz QTNVXJRYKMCXAZ-UONOGXRCSA-N 0 3 383.315 2.830 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCc2ncn(C)n2)cc1OCC ZINC000532034436 564927148 /nfs/dbraw/zinc/92/71/48/564927148.db2.gz HAJUPUFTTFYTCL-UHFFFAOYSA-N 0 3 395.301 2.873 20 30 GFEDHN CCC(C#N)C(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000593560671 565341783 /nfs/dbraw/zinc/34/17/83/565341783.db2.gz WDDQHNANGAXBKR-IINYFYTJSA-N 0 3 392.253 2.680 20 30 GFEDHN CCC(C#N)C(=O)N(C)[C@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000593740980 565359139 /nfs/dbraw/zinc/35/91/39/565359139.db2.gz YOXPFYJVWFXRBF-HZMBPMFUSA-N 0 3 383.242 2.680 20 30 GFEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000594428569 565384547 /nfs/dbraw/zinc/38/45/47/565384547.db2.gz NDMANJNWQRWEOC-BXUZGUMPSA-N 0 3 396.285 2.809 20 30 GFEDHN COc1cc(Br)ccc1CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594447516 565386578 /nfs/dbraw/zinc/38/65/78/565386578.db2.gz YBGLTBKAAQNPAG-HNNXBMFYSA-N 0 3 382.302 2.918 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000594748752 565414103 /nfs/dbraw/zinc/41/41/03/565414103.db2.gz OCFGUYPDJHLULQ-HOTGVXAUSA-N 0 3 375.519 2.987 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(I)cc1F ZINC000595255128 565459517 /nfs/dbraw/zinc/45/95/17/565459517.db2.gz KNWIMCMLRSGCTC-LLVKDONJSA-N 0 3 375.185 2.780 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000596048319 565510048 /nfs/dbraw/zinc/51/00/48/565510048.db2.gz ACUDDCVLTKHCLX-LBPRGKRZSA-N 0 3 377.413 2.592 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)cc1Cl ZINC000601522442 565789724 /nfs/dbraw/zinc/78/97/24/565789724.db2.gz QKVDLYUNRSRSHC-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN COc1ccc(C[C@@H](CO)CNCc2cccc(C#N)n2)cc1Br ZINC000602681628 565862714 /nfs/dbraw/zinc/86/27/14/565862714.db2.gz DCZMPXMWYSFNPH-CQSZACIVSA-N 0 3 390.281 2.665 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681990512 566136376 /nfs/dbraw/zinc/13/63/76/566136376.db2.gz VDFWRXBLLYPDBA-UHFFFAOYSA-N 0 3 375.270 2.773 20 30 GFEDHN C#CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000819702293 599636022 /nfs/dbraw/zinc/63/60/22/599636022.db2.gz XMAQIOFGDGJZPF-HXUWFJFHSA-N 0 3 386.459 2.818 20 30 GFEDHN C#CC[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000819702293 599636023 /nfs/dbraw/zinc/63/60/23/599636023.db2.gz XMAQIOFGDGJZPF-HXUWFJFHSA-N 0 3 386.459 2.818 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2csc(I)n2)CC1 ZINC000826662454 660460378 /nfs/dbraw/zinc/46/03/78/660460378.db2.gz JZJUQKVJAJHIPC-UHFFFAOYSA-N 0 3 391.278 2.518 20 30 GFEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1sccc1Br ZINC000835056507 660839592 /nfs/dbraw/zinc/83/95/92/660839592.db2.gz GYUHBEQFKNOQKN-LLVKDONJSA-N 0 3 387.299 2.693 20 30 GFEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000129664856 654871174 /nfs/dbraw/zinc/87/11/74/654871174.db2.gz YFFGJKMNRKTIIH-CYBMUJFWSA-N 0 3 382.247 2.899 20 30 GFEDHN C#CCCOc1ccc(CNCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000159007450 655110749 /nfs/dbraw/zinc/11/07/49/655110749.db2.gz YESDYNAYNOOTHD-UHFFFAOYSA-N 0 3 378.519 2.527 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000193427323 655410286 /nfs/dbraw/zinc/41/02/86/655410286.db2.gz GYWUYXVMGKWTTF-GXSJLCMTSA-N 0 3 375.277 2.945 20 30 GFEDHN COc1nc(N(C)C)sc1C=NNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000726424861 655534010 /nfs/dbraw/zinc/53/40/10/655534010.db2.gz MYLWXEUUXQMFMP-UHFFFAOYSA-N 0 3 390.437 2.660 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCC(F)(F)F)cc1OC ZINC000762026246 656028500 /nfs/dbraw/zinc/02/85/00/656028500.db2.gz UJSRSZJBYZOIHS-JTQLQIEISA-N 0 3 376.356 2.647 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2SC)cc1Cl ZINC000791772216 658174321 /nfs/dbraw/zinc/17/43/21/658174321.db2.gz ZUVHPWICARXDIL-SNVBAGLBSA-N 0 3 378.841 2.765 20 30 GFEDHN CN(C)CCN1c2ccccc2C(=NNc2ccc(Br)cn2)C1=O ZINC000807969256 659872067 /nfs/dbraw/zinc/87/20/67/659872067.db2.gz OIKYNDFWAROSPE-UHFFFAOYSA-N 0 3 388.269 2.569 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000876589287 662863161 /nfs/dbraw/zinc/86/31/61/662863161.db2.gz IUYKXEZAVXHWMO-CYBMUJFWSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccc(Br)cc1OC ZINC000876896554 662867916 /nfs/dbraw/zinc/86/79/16/662867916.db2.gz HJPNGWTYHLEQCK-ZDUSSCGKSA-N 0 3 375.694 2.976 20 30 GFEDHN COc1ccc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Br ZINC000884061120 663064328 /nfs/dbraw/zinc/06/43/28/663064328.db2.gz VPCCHSGFFNZAJH-ZHKKWPCLSA-N 0 3 392.297 2.774 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1Br ZINC000884326397 663068934 /nfs/dbraw/zinc/06/89/34/663068934.db2.gz RFMZZPRYMJSIAH-SHYRYGCCSA-N 0 3 390.325 2.982 20 30 GFEDHN CN(Cc1ccc(Br)cc1F)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884450760 663070929 /nfs/dbraw/zinc/07/09/29/663070929.db2.gz RTZGOYDGHBYJSW-UIORMTCPSA-N 0 3 380.261 2.686 20 30 GFEDHN CC[C@@H](C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283577 663088238 /nfs/dbraw/zinc/08/82/38/663088238.db2.gz KGOHBHUSKFXPAU-HLTSFMKQSA-N 0 3 382.295 2.956 20 30 GFEDHN C#C[C@H](N[C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894669126 663475596 /nfs/dbraw/zinc/47/55/96/663475596.db2.gz QKSPWKBSZLOWRV-GUYCJALGSA-N 0 3 399.354 2.773 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(Br)cc1C)C1CCN(C)CC1 ZINC000917867247 664491441 /nfs/dbraw/zinc/49/14/41/664491441.db2.gz XFJSHINJVGYHEE-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(I)c2)CC1 ZINC000919965514 664520565 /nfs/dbraw/zinc/52/05/65/664520565.db2.gz HEBJNNBLTPUBNW-UHFFFAOYSA-N 0 3 382.245 2.883 20 30 GFEDHN N#Cc1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977327 722111250 /nfs/dbraw/zinc/11/12/50/722111250.db2.gz MOAPSMWKGPGQSB-APWZRJJASA-N 0 3 383.883 2.729 20 30 GFEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000246394034 553106951 /nfs/dbraw/zinc/10/69/51/553106951.db2.gz SQHKARFMLPQERV-CABCVRRESA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCS[C@@H]3COCC[C@H]32)sc2c1CCC2 ZINC000246567466 553110331 /nfs/dbraw/zinc/11/03/31/553110331.db2.gz BQTALMXQDDCWIQ-GDBMZVCRSA-N 0 3 377.535 2.643 20 30 GFEDHN CSC1(CNC(=O)c2cccc(C#N)c2Br)CCN(C)CC1 ZINC000451860217 564359213 /nfs/dbraw/zinc/35/92/13/564359213.db2.gz WPPFUIBAKZGTEA-UHFFFAOYSA-N 0 3 382.327 2.878 20 30 GFEDHN C=CCOc1c(Br)cc(CN(C[C@H](O)CO)C(C)C)cc1OC ZINC000421407627 563309457 /nfs/dbraw/zinc/30/94/57/563309457.db2.gz JQFUMLFZOIZCTC-AWEZNQCLSA-N 0 3 388.302 2.586 20 30 GFEDHN C=CCSCCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280528413 563341853 /nfs/dbraw/zinc/34/18/53/563341853.db2.gz GUVGSXHNVYKALW-SNVBAGLBSA-N 0 3 379.345 2.666 20 30 GFEDHN C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)N(C)C ZINC000298668992 563363156 /nfs/dbraw/zinc/36/31/56/563363156.db2.gz IIWMJPIUECSVRM-NSHDSACASA-N 0 3 376.511 2.774 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000424069099 563369166 /nfs/dbraw/zinc/36/91/66/563369166.db2.gz UHFWVRQFZFGFKB-CQSZACIVSA-N 0 3 376.258 2.654 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000424090961 563370225 /nfs/dbraw/zinc/37/02/25/563370225.db2.gz CSZWEPVZIFTUES-LSDHHAIUSA-N 0 3 383.279 2.944 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000284402611 563473582 /nfs/dbraw/zinc/47/35/82/563473582.db2.gz NEBNZHPPGRPQAO-LBPRGKRZSA-N 0 3 384.307 2.937 20 30 GFEDHN CCN1CCC[C@@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329624623 563483592 /nfs/dbraw/zinc/48/35/92/563483592.db2.gz OGWJRRROSAKUHB-OAHLLOKOSA-N 0 3 382.302 2.872 20 30 GFEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000285947226 563543146 /nfs/dbraw/zinc/54/31/46/563543146.db2.gz MMLWOTMPCPQYTK-SNVBAGLBSA-N 0 3 377.794 2.968 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1Br ZINC000332009509 563571462 /nfs/dbraw/zinc/57/14/62/563571462.db2.gz YYEYWYNNBTYIIK-ZDUSSCGKSA-N 0 3 398.326 2.616 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1Br ZINC000332009506 563571511 /nfs/dbraw/zinc/57/15/11/563571511.db2.gz YYEYWYNNBTYIIK-CYBMUJFWSA-N 0 3 398.326 2.616 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288815465 563658243 /nfs/dbraw/zinc/65/82/43/563658243.db2.gz LVKLHAIFKKXSDH-RNCFNFMXSA-N 0 3 375.372 2.835 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000367851617 563857404 /nfs/dbraw/zinc/85/74/04/563857404.db2.gz YUPQSVLBSTYFNN-INIZCTEOSA-N 0 3 391.357 2.780 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000563483525 564193361 /nfs/dbraw/zinc/19/33/61/564193361.db2.gz VAQVTUSCWTWTAN-GFCCVEGCSA-N 0 3 388.331 2.719 20 30 GFEDHN CN(C)C1(CN(C)C(=O)COc2ccc(C#N)c(Br)c2)CCC1 ZINC000451016111 564263166 /nfs/dbraw/zinc/26/31/66/564263166.db2.gz QTXAKJREWPORCG-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000566593049 564333443 /nfs/dbraw/zinc/33/34/43/564333443.db2.gz VDHAPNXIVVZTSW-CABCVRRESA-N 0 3 375.416 2.527 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000567709977 564384410 /nfs/dbraw/zinc/38/44/10/564384410.db2.gz FAVIOBJERHIPGM-DLBZAZTESA-N 0 3 384.293 2.835 20 30 GFEDHN CC(C#N)C(=O)N1Cc2cc(Br)c(NC(=O)[C@@H](C)C#N)cc2C1 ZINC000480803486 564489249 /nfs/dbraw/zinc/48/92/49/564489249.db2.gz UNWNJIDYYINMMQ-UWVGGRQHSA-N 0 3 375.226 2.549 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000459867808 564763625 /nfs/dbraw/zinc/76/36/25/564763625.db2.gz WNCSGBOEYGINHC-AWEZNQCLSA-N 0 3 383.945 2.859 20 30 GFEDHN COc1ccc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000584464808 565081508 /nfs/dbraw/zinc/08/15/08/565081508.db2.gz JFSDFTMLWZXEBQ-UHFFFAOYSA-N 0 3 378.881 2.826 20 30 GFEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000594428573 565384136 /nfs/dbraw/zinc/38/41/36/565384136.db2.gz NDMANJNWQRWEOC-RISCZKNCSA-N 0 3 396.285 2.809 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000594445350 565385816 /nfs/dbraw/zinc/38/58/16/565385816.db2.gz DIPMAXOCFBPHLA-CQSZACIVSA-N 0 3 399.358 2.566 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595260318 565460174 /nfs/dbraw/zinc/46/01/74/565460174.db2.gz ZQRJCGKVTCQSHE-JTQLQIEISA-N 0 3 397.220 2.517 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595260318 565460178 /nfs/dbraw/zinc/46/01/78/565460178.db2.gz ZQRJCGKVTCQSHE-JTQLQIEISA-N 0 3 397.220 2.517 20 30 GFEDHN C[C@H](CC#N)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000597265547 565557997 /nfs/dbraw/zinc/55/79/97/565557997.db2.gz NRVWOZDJTYEDNP-CQSZACIVSA-N 0 3 394.313 2.958 20 30 GFEDHN C[NH+](C)CCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000825870709 609473058 /nfs/dbraw/zinc/47/30/58/609473058.db2.gz ZGWJPHWRGRRORP-UHFFFAOYSA-N 0 3 385.859 2.907 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000266295479 654869883 /nfs/dbraw/zinc/86/98/83/654869883.db2.gz HMSOZHXZXYPBTI-AWEZNQCLSA-N 0 3 379.298 2.678 20 30 GFEDHN C#CCOc1ccccc1CNC[C@H](O)COc1ccccc1Br ZINC000131031679 654895884 /nfs/dbraw/zinc/89/58/84/654895884.db2.gz HQOGPVPKFHKJRP-INIZCTEOSA-N 0 3 390.277 2.991 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000574870707 655432506 /nfs/dbraw/zinc/43/25/06/655432506.db2.gz MQSHXGGEVHZDEO-JCNLHEQBSA-N 0 3 375.881 2.916 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000754532738 655869263 /nfs/dbraw/zinc/86/92/63/655869263.db2.gz XJNWOWRYZDDQOJ-GFCCVEGCSA-N 0 3 385.247 2.818 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000755152963 655880406 /nfs/dbraw/zinc/88/04/06/655880406.db2.gz XFGIEOGOFCMKSN-CYBMUJFWSA-N 0 3 381.289 2.981 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000870134486 662675491 /nfs/dbraw/zinc/67/54/91/662675491.db2.gz PWGBBZMNBCORPA-IIDMSEBBSA-N 0 3 393.281 2.588 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000876780631 662866269 /nfs/dbraw/zinc/86/62/69/662866269.db2.gz XALYBLYCASFBMZ-UONOGXRCSA-N 0 3 378.929 2.971 20 30 GFEDHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884094043 663064888 /nfs/dbraw/zinc/06/48/88/663064888.db2.gz ZPIUOFRSIKJGAX-MNSPSGFLSA-N 0 3 376.298 2.636 20 30 GFEDHN COc1cc(Br)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1OC ZINC000884100342 663065099 /nfs/dbraw/zinc/06/50/99/663065099.db2.gz RAPAFDLQFAWBOJ-VVHFOWEKSA-N 0 3 394.269 2.544 20 30 GFEDHN COc1cc(Br)ccc1[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884317940 663068901 /nfs/dbraw/zinc/06/89/01/663068901.db2.gz HOERCDLKCAHATE-HYONLYSNSA-N 0 3 392.297 2.774 20 30 GFEDHN CCN(CC)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286519 663088427 /nfs/dbraw/zinc/08/84/27/663088427.db2.gz FWHBGAUKNWSQIN-RKDXNWHRSA-N 0 3 382.295 2.958 20 30 GFEDHN C#CCN(C(=O)[C@@H](OC)c1ccccc1Br)C1CCN(C)CC1 ZINC000886573427 663114097 /nfs/dbraw/zinc/11/40/97/663114097.db2.gz INCXSKYWWMIZHV-KRWDZBQOSA-N 0 3 379.298 2.693 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)c(C)cc1OC)C1CCN(C)CC1 ZINC000886576016 663114125 /nfs/dbraw/zinc/11/41/25/663114125.db2.gz TZIKNZPVZJKXTI-UHFFFAOYSA-N 0 3 379.298 2.936 20 30 GFEDHN Cn1cc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)c(Br)n1 ZINC000903188863 663777647 /nfs/dbraw/zinc/77/76/47/663777647.db2.gz ZMGQNQZDUBJNLD-UHFFFAOYSA-N 0 3 388.313 2.808 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Br)s1 ZINC000903340792 663782209 /nfs/dbraw/zinc/78/22/09/663782209.db2.gz JRIFGEHPVBIVEZ-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000906245045 663933905 /nfs/dbraw/zinc/93/39/05/663933905.db2.gz IPPGHLWWHDGMMP-CQSZACIVSA-N 0 3 392.714 2.570 20 30 GFEDHN C#CCN(C(=O)NCCc1cc(Br)ccc1F)C1CCN(C)CC1 ZINC000914400873 664407325 /nfs/dbraw/zinc/40/73/25/664407325.db2.gz WCYWNSUARPKXNG-UHFFFAOYSA-N 0 3 396.304 2.870 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164766755 721243859 /nfs/dbraw/zinc/24/38/59/721243859.db2.gz VIYWWRPITILFFT-MOPGFXCFSA-N 0 3 376.508 2.524 20 30 GFEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000158869582 551557961 /nfs/dbraw/zinc/55/79/61/551557961.db2.gz AAYXBCFKYKKMFO-UHFFFAOYSA-N 0 3 375.416 2.539 20 30 GFEDHN CCN1CCN([C@H]2CCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000181103662 552247188 /nfs/dbraw/zinc/24/71/88/552247188.db2.gz BZHCZJJCHLCCHX-KRWDZBQOSA-N 0 3 377.330 2.533 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCCC[C@H]2CC(F)(F)F)nc1 ZINC000296485158 563288990 /nfs/dbraw/zinc/28/89/90/563288990.db2.gz YPRFMKNPLPSAOJ-KBPBESRZSA-N 0 3 375.416 2.828 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000424092870 563370264 /nfs/dbraw/zinc/37/02/64/563370264.db2.gz PVBXEYHVJRLMQN-MRXNPFEDSA-N 0 3 394.313 2.635 20 30 GFEDHN CC(C(=O)NCCc1nc2c(s1)CCCC2)S(=O)(=O)C1CCOCC1 ZINC000328826014 563466158 /nfs/dbraw/zinc/46/61/58/563466158.db2.gz HVNNFAWHZNGIIK-GFCCVEGCSA-N 0 3 386.539 2.503 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCCCCN2)nc1C ZINC000364490021 563754556 /nfs/dbraw/zinc/75/45/56/563754556.db2.gz UEJPHAZNNSILHI-NSHDSACASA-N 0 3 378.527 2.655 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CN)CCCC ZINC000415505526 563780320 /nfs/dbraw/zinc/78/03/20/563780320.db2.gz XXTKWJJDMIXJLL-CYBMUJFWSA-N 0 3 398.301 2.586 20 30 GFEDHN C[C@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000509526051 564303478 /nfs/dbraw/zinc/30/34/78/564303478.db2.gz PUCFXQGBLJQUCK-LBPRGKRZSA-N 0 3 381.860 2.980 20 30 GFEDHN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000567806370 564390182 /nfs/dbraw/zinc/39/01/82/564390182.db2.gz BTOZLXUCEAEBPF-YOEHRIQHSA-N 0 3 393.329 2.675 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H]2COCCO2)cc1OCC ZINC000513644114 564435528 /nfs/dbraw/zinc/43/55/28/564435528.db2.gz UQMDRVFHFHAQSM-AWEZNQCLSA-N 0 3 386.286 2.918 20 30 GFEDHN CC(C#N)C(=O)N1Cc2cc(Br)c(NC(=O)[C@H](C)C#N)cc2C1 ZINC000480803495 564489087 /nfs/dbraw/zinc/48/90/87/564489087.db2.gz UNWNJIDYYINMMQ-ZJUUUORDSA-N 0 3 375.226 2.549 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)CCN1CCN(CC)CC1 ZINC000458042998 564685484 /nfs/dbraw/zinc/68/54/84/564685484.db2.gz USBPXDONVLZSIH-UHFFFAOYSA-N 0 3 396.329 2.980 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1N(C)C ZINC000487899087 564698883 /nfs/dbraw/zinc/69/88/83/564698883.db2.gz QTNVXJRYKMCXAZ-KBPBESRZSA-N 0 3 383.315 2.830 20 30 GFEDHN CC[C@@H](CN1CCCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000590667839 565196402 /nfs/dbraw/zinc/19/64/02/565196402.db2.gz SFTIYZPTFFSJBU-ZDUSSCGKSA-N 0 3 380.286 2.690 20 30 GFEDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593728638 565358572 /nfs/dbraw/zinc/35/85/72/565358572.db2.gz AQCQQVHOIJDCAJ-GOSISDBHSA-N 0 3 376.298 2.808 20 30 GFEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1Br ZINC000594198938 565378592 /nfs/dbraw/zinc/37/85/92/565378592.db2.gz VVPZMAPWDNZMOG-IRXDYDNUSA-N 0 3 392.297 2.833 20 30 GFEDHN COC(=O)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425917 565384062 /nfs/dbraw/zinc/38/40/62/565384062.db2.gz BMOPMBILOYQGTP-CABCVRRESA-N 0 3 396.285 2.581 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000595119901 565450344 /nfs/dbraw/zinc/45/03/44/565450344.db2.gz MUFNUQLXIJBROU-RHSMWYFYSA-N 0 3 375.881 2.636 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000599398777 565675975 /nfs/dbraw/zinc/67/59/75/565675975.db2.gz CXNWVUKXZLHZBL-XJKSGUPXSA-N 0 3 395.297 2.934 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)ccc1Cl ZINC000601521634 565788972 /nfs/dbraw/zinc/78/89/72/565788972.db2.gz OXVKVVGKVTXRBY-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306979 565801846 /nfs/dbraw/zinc/80/18/46/565801846.db2.gz HOXGAKKELAQUOE-AWEZNQCLSA-N 0 3 381.929 2.517 20 30 GFEDHN C[C@H]1CN(CCC(=O)Nc2cccc(Br)c2)C[C@H](C)N1CC#N ZINC000602852586 565870039 /nfs/dbraw/zinc/87/00/39/565870039.db2.gz CZCCRQPBZUJIEZ-KBPBESRZSA-N 0 3 379.302 2.696 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000819743123 606640803 /nfs/dbraw/zinc/64/08/03/606640803.db2.gz DBZUFRRNMJEMJT-OAHLLOKOSA-N 0 3 385.516 2.541 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000819743123 606640804 /nfs/dbraw/zinc/64/08/04/606640804.db2.gz DBZUFRRNMJEMJT-OAHLLOKOSA-N 0 3 385.516 2.541 20 30 GFEDHN Cc1cc(NC(=O)C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)no1 ZINC000826269450 608494720 /nfs/dbraw/zinc/49/47/20/608494720.db2.gz MMFJKXMXPCOHJG-GFCCVEGCSA-N 0 3 392.404 2.533 20 30 GFEDHN Cc1c(Cl)cnc(N(CC[NH+](C)C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826237057 609574838 /nfs/dbraw/zinc/57/48/38/609574838.db2.gz MHESPWUJEZADJZ-UHFFFAOYSA-N 0 3 396.886 2.663 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000122331841 654734188 /nfs/dbraw/zinc/73/41/88/654734188.db2.gz PERKORWWGLAWJH-AWEZNQCLSA-N 0 3 375.475 2.654 20 30 GFEDHN CCN(CCC#N)C(=O)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000052833976 654740315 /nfs/dbraw/zinc/74/03/15/654740315.db2.gz HHHLBVCEKHJOOV-UHFFFAOYSA-N 0 3 394.313 2.807 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000125172376 654789045 /nfs/dbraw/zinc/78/90/45/654789045.db2.gz CJNAHLMFPXDRIH-SMDDNHRTSA-N 0 3 399.310 2.791 20 30 GFEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000156163359 655090009 /nfs/dbraw/zinc/09/00/09/655090009.db2.gz CPCYWVAWZPETSQ-CYBMUJFWSA-N 0 3 388.221 2.743 20 30 GFEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173999051 655189208 /nfs/dbraw/zinc/18/92/08/655189208.db2.gz GBNGOGPILDRWBG-AWEZNQCLSA-N 0 3 379.254 2.768 20 30 GFEDHN C[C@@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000310921560 655379266 /nfs/dbraw/zinc/37/92/66/655379266.db2.gz RHGVAEBXOLTCHU-SFHVURJKSA-N 0 3 375.519 2.810 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1scc(Br)c1Br ZINC000705410654 655522076 /nfs/dbraw/zinc/52/20/76/655522076.db2.gz UBQCVSCABJSVAH-UHFFFAOYSA-N 0 3 394.132 2.958 20 30 GFEDHN CCN1CCN(C[C@H](C)CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726480088 655535442 /nfs/dbraw/zinc/53/54/42/655535442.db2.gz FVPWSDXYIKYXBT-CQSZACIVSA-N 0 3 379.961 2.772 20 30 GFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)Cn1cc(Br)cn1)c1ccccc1 ZINC000787041499 657509613 /nfs/dbraw/zinc/50/96/13/657509613.db2.gz ZYDJKJBPDJWTHX-HUUCEWRRSA-N 0 3 389.253 2.622 20 30 GFEDHN CC[C@@H](C(=O)C(C#N)C(=O)NCCCOC)c1ccc(Br)cc1 ZINC000860462618 662201746 /nfs/dbraw/zinc/20/17/46/662201746.db2.gz WSIUYCQHVKPFHJ-CABCVRRESA-N 0 3 381.270 2.804 20 30 GFEDHN CCN(C(=O)COc1cccc(Br)c1C#N)C1CCN(C)CC1 ZINC000861890278 662262542 /nfs/dbraw/zinc/26/25/42/662262542.db2.gz FQBMMQADNFUXGS-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CCC(C)C)nc1C ZINC000876574236 662863069 /nfs/dbraw/zinc/86/30/69/662863069.db2.gz ANJUCWCZLPXUFI-NSHDSACASA-N 0 3 380.543 2.887 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC000876632770 662863892 /nfs/dbraw/zinc/86/38/92/662863892.db2.gz IODWMNGHLYPCHN-GFCCVEGCSA-N 0 3 388.693 2.672 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894560 662867806 /nfs/dbraw/zinc/86/78/06/662867806.db2.gz QHMFDVTXGWECEH-CHWSQXEVSA-N 0 3 376.671 2.685 20 30 GFEDHN COc1ccc([C@@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Br ZINC000884061117 663064453 /nfs/dbraw/zinc/06/44/53/663064453.db2.gz VPCCHSGFFNZAJH-AJOZBUNDSA-N 0 3 392.297 2.774 20 30 GFEDHN COc1cc(C)c(Br)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884320655 663068793 /nfs/dbraw/zinc/06/87/93/663068793.db2.gz VVFLGMVWKYHKNL-VMBJYNEYSA-N 0 3 378.270 2.844 20 30 GFEDHN Cc1ccc(I)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884380193 663069815 /nfs/dbraw/zinc/06/98/15/663069815.db2.gz WHEFPCXWRNQKTG-BGMSHATGSA-N 0 3 395.244 2.678 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CC3(CC3)c3ccc(Br)cc31)C2 ZINC000884432977 663070608 /nfs/dbraw/zinc/07/06/08/663070608.db2.gz WTYOHAVTHPTCIL-MLZJXEJWSA-N 0 3 386.293 2.967 20 30 GFEDHN N#CC(C(=O)Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccn1 ZINC000917509713 664485336 /nfs/dbraw/zinc/48/53/36/664485336.db2.gz NOHKMQXWANEWPO-NSHDSACASA-N 0 3 376.185 2.873 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(C#N)c(Cl)n2)c2c1CCNC2 ZINC001164683440 719605438 /nfs/dbraw/zinc/60/54/38/719605438.db2.gz JBJCDBXYBPZVAC-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN N#CC1(c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CCOCC1 ZINC001164726956 720427735 /nfs/dbraw/zinc/42/77/35/720427735.db2.gz CMGQUXKDOLZVPX-RTWAWAEBSA-N 0 3 389.503 2.902 20 30 GFEDHN N#Cc1cc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982776 722134410 /nfs/dbraw/zinc/13/44/10/722134410.db2.gz SIJUNJBGLUIKBU-LPHOPBHVSA-N 0 3 383.883 2.729 20 30 GFEDHN N#CCc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164981109 722150148 /nfs/dbraw/zinc/15/01/48/722150148.db2.gz OLBVGLJKRLNNKS-UYAOXDASSA-N 0 3 397.910 2.923 20 30 GFEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000359977755 212128721 /nfs/dbraw/zinc/12/87/21/212128721.db2.gz LOPJYDXQRNLQEP-GOSISDBHSA-N 0 3 392.503 2.886 20 30 GFEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)COc1ncccc1Br ZINC000180395965 552225242 /nfs/dbraw/zinc/22/52/42/552225242.db2.gz GDPRQKRKZDYUDI-ZDUSSCGKSA-N 0 3 397.317 2.599 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000182043731 552273995 /nfs/dbraw/zinc/27/39/95/552273995.db2.gz DMJYZSUSROOKQG-CQSZACIVSA-N 0 3 379.507 2.588 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@]2(O)CCO[C@H]2C)cc1OC ZINC000278609562 563263289 /nfs/dbraw/zinc/26/32/89/563263289.db2.gz ISISBMHRLPIXJQ-YVEFUNNKSA-N 0 3 386.286 2.652 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424213938 563373835 /nfs/dbraw/zinc/37/38/35/563373835.db2.gz WAIFOFSHTBBHRV-LBPRGKRZSA-N 0 3 391.640 2.582 20 30 GFEDHN C[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000378311696 563502240 /nfs/dbraw/zinc/50/22/40/563502240.db2.gz HPIINDNVDAZBHW-PBHICJAKSA-N 0 3 377.330 2.783 20 30 GFEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000330894062 563526130 /nfs/dbraw/zinc/52/61/30/563526130.db2.gz ZKHDGZBZGSZPQG-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000450411748 564231583 /nfs/dbraw/zinc/23/15/83/564231583.db2.gz OTKZZILZFWBFBO-IAGOWNOFSA-N 0 3 387.281 2.763 20 30 GFEDHN CC(C)N1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C1 ZINC000457101328 564646025 /nfs/dbraw/zinc/64/60/25/564646025.db2.gz XZGFWQSLTXQAHV-ZDUSSCGKSA-N 0 3 380.286 2.641 20 30 GFEDHN N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)cc1 ZINC000579465171 564747902 /nfs/dbraw/zinc/74/79/02/564747902.db2.gz NJCJIZYEJGCQJD-HNNXBMFYSA-N 0 3 391.265 2.750 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000459683668 564756580 /nfs/dbraw/zinc/75/65/80/564756580.db2.gz CTDOYAPDJKDESB-AWEZNQCLSA-N 0 3 398.301 2.856 20 30 GFEDHN CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C)C1 ZINC000592829628 565299173 /nfs/dbraw/zinc/29/91/73/565299173.db2.gz SQJLFHGFILTQOX-CQSZACIVSA-N 0 3 380.286 2.642 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000594428898 565384198 /nfs/dbraw/zinc/38/41/98/565384198.db2.gz PRMMYVMAJQFWEZ-MRXNPFEDSA-N 0 3 394.313 2.982 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000594438638 565385463 /nfs/dbraw/zinc/38/54/63/565385463.db2.gz PDITYEIVNTUSFR-YOEHRIQHSA-N 0 3 393.329 2.803 20 30 GFEDHN Cn1cnnc1Sc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594435157 565385664 /nfs/dbraw/zinc/38/56/64/565385664.db2.gz AYZQBEXIEOGCCU-ZDUSSCGKSA-N 0 3 378.889 2.969 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000594455926 565386453 /nfs/dbraw/zinc/38/64/53/565386453.db2.gz FRCIEBIYTSUUPO-CYBMUJFWSA-N 0 3 392.257 2.527 20 30 GFEDHN CC#CC[C@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000641768116 565398681 /nfs/dbraw/zinc/39/86/81/565398681.db2.gz WRHLBPVWZWMTHT-LLVKDONJSA-N 0 3 376.092 2.658 20 30 GFEDHN C=CCCSCCNC(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000595238383 565458121 /nfs/dbraw/zinc/45/81/21/565458121.db2.gz WPNCKKWGGHYWKP-UHFFFAOYSA-N 0 3 375.416 2.528 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256101 565458953 /nfs/dbraw/zinc/45/89/53/565458953.db2.gz AWOGHNFTYPYSHD-JKSUJKDBSA-N 0 3 380.286 2.760 20 30 GFEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000597860061 565578716 /nfs/dbraw/zinc/57/87/16/565578716.db2.gz KXFPEUIBNZQKMX-GFCCVEGCSA-N 0 3 380.286 2.689 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600471009 565730874 /nfs/dbraw/zinc/73/08/74/565730874.db2.gz QRHDKFNURMNQJU-KRWDZBQOSA-N 0 3 376.298 2.996 20 30 GFEDHN N#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000737719307 599200310 /nfs/dbraw/zinc/20/03/10/599200310.db2.gz OYOMPXFDUYBLQR-UHFFFAOYSA-N 0 3 387.447 2.977 20 30 GFEDHN N#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000737719307 599200312 /nfs/dbraw/zinc/20/03/12/599200312.db2.gz OYOMPXFDUYBLQR-UHFFFAOYSA-N 0 3 387.447 2.977 20 30 GFEDHN CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823953691 609516034 /nfs/dbraw/zinc/51/60/34/609516034.db2.gz MDEFANWAFPGCAX-FQEVSTJZSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953691 609516036 /nfs/dbraw/zinc/51/60/36/609516036.db2.gz MDEFANWAFPGCAX-FQEVSTJZSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823953691 609516039 /nfs/dbraw/zinc/51/60/39/609516039.db2.gz MDEFANWAFPGCAX-FQEVSTJZSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953691 609516042 /nfs/dbraw/zinc/51/60/42/609516042.db2.gz MDEFANWAFPGCAX-FQEVSTJZSA-N 0 3 375.480 2.854 20 30 GFEDHN N#CC(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccn1 ZINC000041493260 654627551 /nfs/dbraw/zinc/62/75/51/654627551.db2.gz UYRODKRYMSTAPK-CQSZACIVSA-N 0 3 398.216 2.707 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1ccccc1Br ZINC000125171153 654789024 /nfs/dbraw/zinc/78/90/24/654789024.db2.gz IDYBYFKMDOTLIW-GFCCVEGCSA-N 0 3 399.310 2.793 20 30 GFEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000126626174 654816731 /nfs/dbraw/zinc/81/67/31/654816731.db2.gz OJPRSSPGNIXCIU-INIZCTEOSA-N 0 3 387.233 2.853 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000267133903 654912824 /nfs/dbraw/zinc/91/28/24/654912824.db2.gz FLDLNURNYCDNKG-AWEZNQCLSA-N 0 3 379.298 2.678 20 30 GFEDHN C#CCN(C)CCCNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000838623989 661051192 /nfs/dbraw/zinc/05/11/92/661051192.db2.gz ANLRICWJWWIESD-UHFFFAOYSA-N 0 3 384.274 2.543 20 30 GFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000271853267 655096754 /nfs/dbraw/zinc/09/67/54/655096754.db2.gz MTHUQVQPLXKJDE-CQSZACIVSA-N 0 3 375.519 2.790 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc2n[nH]nc2c1 ZINC000783076934 657205975 /nfs/dbraw/zinc/20/59/75/657205975.db2.gz NHLVUTXNSNNNMD-VIFPVBQESA-N 0 3 375.175 2.621 20 30 GFEDHN N#CC(C(=O)Cc1ccc(I)cc1)C(=O)NC1CCCC1 ZINC000793121660 658361061 /nfs/dbraw/zinc/36/10/61/658361061.db2.gz HZMWMXIMGRRWKV-CQSZACIVSA-N 0 3 396.228 2.601 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000796482449 658919551 /nfs/dbraw/zinc/91/95/51/658919551.db2.gz MKSCILZYTVCAIG-WMLDXEAASA-N 0 3 384.929 2.550 20 30 GFEDHN N#CCSCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000805413671 659774076 /nfs/dbraw/zinc/77/40/76/659774076.db2.gz YWLFSNPACATDSB-GFCCVEGCSA-N 0 3 397.294 2.992 20 30 GFEDHN COC(=O)CCCN1CCC(N=Nc2cc(CO)ccc2Br)CC1 ZINC000841653867 661307427 /nfs/dbraw/zinc/30/74/27/661307427.db2.gz KLMVWRMRHOLQTC-UHFFFAOYSA-N 0 3 398.301 2.758 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000854662889 661946484 /nfs/dbraw/zinc/94/64/84/661946484.db2.gz PNBAUQKYAATSTP-UHFFFAOYSA-N 0 3 376.254 2.789 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000876588900 662863149 /nfs/dbraw/zinc/86/31/49/662863149.db2.gz HKDMDYVFOVOKAB-CQSZACIVSA-N 0 3 388.295 2.996 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000876607192 662863385 /nfs/dbraw/zinc/86/33/85/662863385.db2.gz QTGCKTJAECSLKV-JOYOIKCWSA-N 0 3 389.677 2.867 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000876780630 662866309 /nfs/dbraw/zinc/86/63/09/662866309.db2.gz XALYBLYCASFBMZ-KGLIPLIRSA-N 0 3 378.929 2.971 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894616 662867802 /nfs/dbraw/zinc/86/78/02/662867802.db2.gz QHMFDVTXGWECEH-STQMWFEESA-N 0 3 376.671 2.685 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894564 662867823 /nfs/dbraw/zinc/86/78/23/662867823.db2.gz QHMFDVTXGWECEH-QWHCGFSZSA-N 0 3 376.671 2.685 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883086694 663048414 /nfs/dbraw/zinc/04/84/14/663048414.db2.gz CCEZFJOKYDHGFY-UHFFFAOYSA-N 0 3 378.274 2.878 20 30 GFEDHN C[C@@H](Cc1ccccc1Br)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884165942 663066218 /nfs/dbraw/zinc/06/62/18/663066218.db2.gz RCWQURMMMZMBPX-MNSPSGFLSA-N 0 3 376.298 2.636 20 30 GFEDHN N#CC1(C[C@@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274268 663106666 /nfs/dbraw/zinc/10/66/66/663106666.db2.gz PTTHDNWODKYMON-CABCVRRESA-N 0 3 380.286 2.742 20 30 GFEDHN C#CCN(C(=O)[C@H](OC)c1ccc(Br)s1)C1CCN(C)CC1 ZINC000886572702 663114101 /nfs/dbraw/zinc/11/41/01/663114101.db2.gz XGTPTOZBNSJZAA-OAHLLOKOSA-N 0 3 385.327 2.754 20 30 GFEDHN C#CCN(C(=O)[C@H](OC)c1ccccc1Br)C1CCN(C)CC1 ZINC000886573428 663114142 /nfs/dbraw/zinc/11/41/42/663114142.db2.gz INCXSKYWWMIZHV-QGZVFWFLSA-N 0 3 379.298 2.693 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)C[C@@H](C)CC)nc1C ZINC000912214414 664276059 /nfs/dbraw/zinc/27/60/59/664276059.db2.gz MIPAKRCEOHWPPT-GXSJLCMTSA-N 0 3 380.543 2.887 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000921581974 664555338 /nfs/dbraw/zinc/55/53/38/664555338.db2.gz HIRIVJWHDWQQKU-KRWDZBQOSA-N 0 3 396.354 2.618 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCO[C@@H]2CCOC2)cc1OC ZINC000922942385 664619540 /nfs/dbraw/zinc/61/95/40/664619540.db2.gz PVBVOBBIRRWTOJ-CQSZACIVSA-N 0 3 386.286 2.918 20 30 GFEDHN N#Cc1cc(Br)ccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924053615 664645644 /nfs/dbraw/zinc/64/56/44/664645644.db2.gz JDEGSMLOVQSWNW-OAHLLOKOSA-N 0 3 377.238 2.765 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164763303 721197600 /nfs/dbraw/zinc/19/76/00/721197600.db2.gz FGRICAZYZUJFET-QUCCMNQESA-N 0 3 376.508 2.524 20 30 GFEDHN C=CCOc1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164910283 721536074 /nfs/dbraw/zinc/53/60/74/721536074.db2.gz UBBSISOZSBDZKQ-MJGOQNOKSA-N 0 3 384.455 2.831 20 30 GFEDHN N#Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164978185 722102755 /nfs/dbraw/zinc/10/27/55/722102755.db2.gz GBJHUMQWLFTDAB-MJGOQNOKSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000155200584 551493965 /nfs/dbraw/zinc/49/39/65/551493965.db2.gz GXLKMFFBSCHWET-AWEZNQCLSA-N 0 3 398.326 2.616 20 30 GFEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177666986 552156352 /nfs/dbraw/zinc/15/63/52/552156352.db2.gz QFJQLZLXPGAVFA-CYBMUJFWSA-N 0 3 375.416 2.682 20 30 GFEDHN COc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1Br ZINC000180868860 552238221 /nfs/dbraw/zinc/23/82/21/552238221.db2.gz DGCMEKJLOPQQQY-RRGFCBMYSA-N 0 3 394.269 2.635 20 30 GFEDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1[O-] ZINC000187342134 552412869 /nfs/dbraw/zinc/41/28/69/552412869.db2.gz NXBDTPHZJFNNJN-ISOHDOPZSA-N 0 3 394.269 2.640 20 30 GFEDHN N#Cc1ccc(Br)c(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000191776538 552537414 /nfs/dbraw/zinc/53/74/14/552537414.db2.gz WSMBFBXWFWWGKP-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000297846855 563337677 /nfs/dbraw/zinc/33/76/77/563337677.db2.gz NKLHGEMYGVSHNX-UHFFFAOYSA-N 0 3 383.945 2.716 20 30 GFEDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H](C)N(C)C2CC2)s1 ZINC000328830381 563466398 /nfs/dbraw/zinc/46/63/98/563466398.db2.gz JWCHVVMHKQFZPB-SWLSCSKDSA-N 0 3 385.555 2.649 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000329031853 563470520 /nfs/dbraw/zinc/47/05/20/563470520.db2.gz XKAWCQFYNDIZPH-IUODEOHRSA-N 0 3 395.301 2.771 20 30 GFEDHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)s1 ZINC000366627915 563816418 /nfs/dbraw/zinc/81/64/18/563816418.db2.gz WOLWCVKSPFEWGH-UHFFFAOYSA-N 0 3 376.507 2.552 20 30 GFEDHN C[C@H]1CCCN(CCNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000449636044 564193692 /nfs/dbraw/zinc/19/36/92/564193692.db2.gz ZCXAOGGUYAUXQF-ZDUSSCGKSA-N 0 3 380.286 2.548 20 30 GFEDHN C[C@@H]1CN(CCCCNC(=O)c2cccc(C#N)c2Br)C[C@@H](C)O1 ZINC000450121310 564218516 /nfs/dbraw/zinc/21/85/16/564218516.db2.gz IVTRBIILLZURTE-ZIAGYGMSSA-N 0 3 394.313 2.940 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000450411749 564231567 /nfs/dbraw/zinc/23/15/67/564231567.db2.gz OTKZZILZFWBFBO-IRXDYDNUSA-N 0 3 387.281 2.763 20 30 GFEDHN N#Cc1ccc2c(c1)[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000568333398 564415011 /nfs/dbraw/zinc/41/50/11/564415011.db2.gz ZKGSMIVBJXXDFT-SFHVURJKSA-N 0 3 375.881 2.767 20 30 GFEDHN CN(C)[C@]1(CNC(=O)NCCSCc2ccccc2C#N)CCSC1 ZINC000481246401 564507783 /nfs/dbraw/zinc/50/77/83/564507783.db2.gz LYCDCZKRNOKEHF-SFHVURJKSA-N 0 3 378.567 2.528 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CC)CC1 ZINC000571247556 564542714 /nfs/dbraw/zinc/54/27/14/564542714.db2.gz SRTLQYVNPGANDB-UHFFFAOYSA-N 0 3 379.306 2.754 20 30 GFEDHN COc1cc(CNC[C@@H](O)COc2ccc(Br)cc2)ccc1C#N ZINC000573237951 564629568 /nfs/dbraw/zinc/62/95/68/564629568.db2.gz GZKNZIPOOHXVKD-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000574392799 564671533 /nfs/dbraw/zinc/67/15/33/564671533.db2.gz HCZWNFBJAABJLX-TZMCWYRMSA-N 0 3 375.416 2.685 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1n[nH]cc1Br)C(C)C ZINC000524140262 564677608 /nfs/dbraw/zinc/67/76/08/564677608.db2.gz SXBIMMUSZQAPDS-HNNXBMFYSA-N 0 3 384.322 2.670 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H](O)[C@@H]2CCCO2)cc1OC ZINC000527759133 564759764 /nfs/dbraw/zinc/75/97/64/564759764.db2.gz NNNKTLJILNMMAR-GJZGRUSLSA-N 0 3 386.286 2.652 20 30 GFEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000581398906 564800658 /nfs/dbraw/zinc/80/06/58/564800658.db2.gz LIUVRUHOVVKRON-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195190 565378317 /nfs/dbraw/zinc/37/83/17/565378317.db2.gz CXZUZXGJIIJHLT-HZPDHXFCSA-N 0 3 392.297 2.833 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000594435237 565385903 /nfs/dbraw/zinc/38/59/03/565385903.db2.gz CFJXVELZTZUVCG-LLVKDONJSA-N 0 3 393.175 2.919 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000595256096 565459435 /nfs/dbraw/zinc/45/94/35/565459435.db2.gz AWOGHNFTYPYSHD-CVEARBPZSA-N 0 3 380.286 2.760 20 30 GFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Br)cc1N1CCOCC1 ZINC000598724124 565636832 /nfs/dbraw/zinc/63/68/32/565636832.db2.gz IOQGUQDYLCOVTM-MRXNPFEDSA-N 0 3 396.329 2.676 20 30 GFEDHN COc1ccc(Br)cc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719493 565747131 /nfs/dbraw/zinc/74/71/31/565747131.db2.gz DZSQJBVMIBBGDR-HNNXBMFYSA-N 0 3 383.286 2.619 20 30 GFEDHN N#Cc1cnn2cc(CN[C@H]3[C@@H]4Cc5cc(Br)ccc5[C@@H]43)cnc12 ZINC000602734839 565866982 /nfs/dbraw/zinc/86/69/82/565866982.db2.gz KFYAVJBULRSCGQ-IKGGRYGDSA-N 0 3 380.249 2.791 20 30 GFEDHN N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1-c1nnn[n-]1 ZINC000737708718 599200640 /nfs/dbraw/zinc/20/06/40/599200640.db2.gz ICYKAHKOUFTZLW-UHFFFAOYSA-N 0 3 387.447 2.977 20 30 GFEDHN N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1-c1nn[n-]n1 ZINC000737708718 599200642 /nfs/dbraw/zinc/20/06/42/599200642.db2.gz ICYKAHKOUFTZLW-UHFFFAOYSA-N 0 3 387.447 2.977 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000819723087 599540860 /nfs/dbraw/zinc/54/08/60/599540860.db2.gz XYHGKZCVQALUHR-UHFFFAOYSA-N 0 3 385.422 2.567 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000819723087 599540862 /nfs/dbraw/zinc/54/08/62/599540862.db2.gz XYHGKZCVQALUHR-UHFFFAOYSA-N 0 3 385.422 2.567 20 30 GFEDHN N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384746 608462694 /nfs/dbraw/zinc/46/26/94/608462694.db2.gz HVADXUKCOFYNFB-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384746 608462695 /nfs/dbraw/zinc/46/26/95/608462695.db2.gz HVADXUKCOFYNFB-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000818612362 660229952 /nfs/dbraw/zinc/22/99/52/660229952.db2.gz XNMCCGFANTYBRE-UHFFFAOYSA-N 0 3 389.297 2.628 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000818603301 660229958 /nfs/dbraw/zinc/22/99/58/660229958.db2.gz XNQDPKVIXCNNQI-UHFFFAOYSA-N 0 3 389.297 2.628 20 30 GFEDHN CCS(=O)(=O)c1cc(Cl)cc(CNC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000819370269 660257082 /nfs/dbraw/zinc/25/70/82/660257082.db2.gz UQNNTYBFTBFAEU-SFHVURJKSA-N 0 3 378.881 2.828 20 30 GFEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130493339 654889543 /nfs/dbraw/zinc/88/95/43/654889543.db2.gz WHQSJJFMKBSDEU-PRHODGIISA-N 0 3 398.275 2.950 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000838622739 661051083 /nfs/dbraw/zinc/05/10/83/661051083.db2.gz ZKKLFXBQXVUVSS-DLBZAZTESA-N 0 3 384.307 2.548 20 30 GFEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000136727454 655034823 /nfs/dbraw/zinc/03/48/23/655034823.db2.gz PRZJYZFUTCEQJF-ZDUSSCGKSA-N 0 3 377.853 2.745 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000271072203 655065867 /nfs/dbraw/zinc/06/58/67/655065867.db2.gz OLMKDBQXMHFHND-KRWDZBQOSA-N 0 3 396.329 2.822 20 30 GFEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000173993378 655188953 /nfs/dbraw/zinc/18/89/53/655188953.db2.gz UXHIKWVRZGOXPY-CQSZACIVSA-N 0 3 375.416 2.682 20 30 GFEDHN N#Cc1ccc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)o1 ZINC000174601359 655205002 /nfs/dbraw/zinc/20/50/02/655205002.db2.gz CRMUKFZWNLZZBD-UHFFFAOYSA-N 0 3 379.507 2.720 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000193427365 655410271 /nfs/dbraw/zinc/41/02/71/655410271.db2.gz GYWUYXVMGKWTTF-KOLCDFICSA-N 0 3 375.277 2.945 20 30 GFEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000194587668 655416387 /nfs/dbraw/zinc/41/63/87/655416387.db2.gz PWXFLRLGBNUXQJ-AWEZNQCLSA-N 0 3 375.837 2.999 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786931459 657491021 /nfs/dbraw/zinc/49/10/21/657491021.db2.gz XYYMTJMARFEBLL-RBZYPMLTSA-N 0 3 382.247 2.932 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000848398308 661645842 /nfs/dbraw/zinc/64/58/42/661645842.db2.gz SUAHCKOEZUBNTK-HOTGVXAUSA-N 0 3 380.286 2.760 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000854662685 661946420 /nfs/dbraw/zinc/94/64/20/661946420.db2.gz JAPXQMOUBANOQU-UHFFFAOYSA-N 0 3 376.254 2.789 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cn2c(n1)COCC2 ZINC000860473156 662201973 /nfs/dbraw/zinc/20/19/73/662201973.db2.gz IYBKVGZEEDSDEZ-GFCCVEGCSA-N 0 3 379.203 2.681 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNC[C@H](O)c1c(Cl)cccc1Cl ZINC000863561587 662336553 /nfs/dbraw/zinc/33/65/53/662336553.db2.gz GOGOUWNVRBTKEC-CJNGLKHVSA-N 0 3 381.259 2.928 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CC(=C)Cl)nc1C ZINC000876574944 662863060 /nfs/dbraw/zinc/86/30/60/662863060.db2.gz OZYCYGSVYYCUCL-SECBINFHSA-N 0 3 384.918 2.593 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712539 662865214 /nfs/dbraw/zinc/86/52/14/662865214.db2.gz ITRTUSQZNLYJJS-GFCCVEGCSA-N 0 3 388.693 2.694 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Br)ccc1OCCOC ZINC000876877112 662867501 /nfs/dbraw/zinc/86/75/01/662867501.db2.gz NTBXDAGEBMGCQG-NSHDSACASA-N 0 3 377.666 2.883 20 30 GFEDHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884166035 663066395 /nfs/dbraw/zinc/06/63/95/663066395.db2.gz SYLVSHGCHFCHNI-ZHKKWPCLSA-N 0 3 394.288 2.775 20 30 GFEDHN Cc1ccc(I)cc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884380194 663069864 /nfs/dbraw/zinc/06/98/64/663069864.db2.gz WHEFPCXWRNQKTG-BWBHSNQOSA-N 0 3 395.244 2.678 20 30 GFEDHN CCN(CC)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286516 663088478 /nfs/dbraw/zinc/08/84/78/663088478.db2.gz FWHBGAUKNWSQIN-IUCAKERBSA-N 0 3 382.295 2.958 20 30 GFEDHN C#CCN(C(=O)c1cccc(I)c1C)C1CCN(C)CC1 ZINC000886579980 663114354 /nfs/dbraw/zinc/11/43/54/663114354.db2.gz QDHFJWCITWTLLN-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN CSc1ccc([C@@H](CNC(=O)NCc2nc(C#N)cs2)N(C)C)cc1 ZINC000895059944 663497596 /nfs/dbraw/zinc/49/75/96/663497596.db2.gz YZCQKRCMUVTSFO-OAHLLOKOSA-N 0 3 375.523 2.839 20 30 GFEDHN Cc1cc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)n1 ZINC000896390830 663554979 /nfs/dbraw/zinc/55/49/79/663554979.db2.gz HLHKQHAUHURFSA-RNFRBKRXSA-N 0 3 376.251 2.974 20 30 GFEDHN CO[C@]1(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054920 663588607 /nfs/dbraw/zinc/58/86/07/663588607.db2.gz LOTAVDOCEVQSQY-BBBLOLIVSA-N 0 3 383.279 2.895 20 30 GFEDHN C#CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000906452252 663949207 /nfs/dbraw/zinc/94/92/07/663949207.db2.gz OGAYOSRIKXQNIZ-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN CSC1(CNS(=O)(=O)c2c(C#N)sc3ccccc32)CCN(C)CC1 ZINC000907200684 664011421 /nfs/dbraw/zinc/01/14/21/664011421.db2.gz ZUZMEDWPRNFLBX-UHFFFAOYSA-N 0 3 395.575 2.879 20 30 GFEDHN N#Cc1cccnc1OC1CCC(NCc2nc(Br)c[nH]2)CC1 ZINC000922036967 664582402 /nfs/dbraw/zinc/58/24/02/664582402.db2.gz VPYLRHJMBWFKRF-UHFFFAOYSA-N 0 3 376.258 2.919 20 30 GFEDHN C=C(Br)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001048548499 665077285 /nfs/dbraw/zinc/07/72/85/665077285.db2.gz FDAKPWLSEDCHKV-OJMGNDQRSA-N 0 3 395.341 2.678 20 30 GFEDHN N#Cc1c2c(cnc1N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164866513 721191457 /nfs/dbraw/zinc/19/14/57/721191457.db2.gz BSGZDWHKOYTZPR-UXHICEINSA-N 0 3 389.503 2.707 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000124164316 551311732 /nfs/dbraw/zinc/31/17/32/551311732.db2.gz QXVNJCPUXSVXAE-CYBMUJFWSA-N 0 3 381.289 2.981 20 30 GFEDHN O=C(NCCN[C@@H]1CCc2ccc(Br)cc21)C1N=CC=CC1=O ZINC000193992946 553008621 /nfs/dbraw/zinc/00/86/21/553008621.db2.gz IPHSCFHJKNWGGT-UPTRSRDDSA-N 0 3 376.254 2.552 20 30 GFEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000372810009 563318171 /nfs/dbraw/zinc/31/81/71/563318171.db2.gz MGLJDWUAWLADBG-BEFAXECRSA-N 0 3 391.357 2.779 20 30 GFEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000373178134 563331446 /nfs/dbraw/zinc/33/14/46/563331446.db2.gz GIMRJEGTIICBJP-OAHLLOKOSA-N 0 3 377.853 2.819 20 30 GFEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCN1C ZINC000330612372 563513255 /nfs/dbraw/zinc/51/32/55/563513255.db2.gz XNRDBRIVXRBSEM-ZYHUDNBSSA-N 0 3 389.315 2.640 20 30 GFEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000330894061 563525907 /nfs/dbraw/zinc/52/59/07/563525907.db2.gz ZKHDGZBZGSZPQG-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000411639881 563627005 /nfs/dbraw/zinc/62/70/05/563627005.db2.gz JRXUCJBKYFBFPR-UHFFFAOYSA-N 0 3 399.289 2.736 20 30 GFEDHN C=CCC[C@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000449702724 564197732 /nfs/dbraw/zinc/19/77/32/564197732.db2.gz ZTWMAPIUTXUHED-GFCCVEGCSA-N 0 3 391.249 2.725 20 30 GFEDHN C=CCC[C@H](CO)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449701901 564197939 /nfs/dbraw/zinc/19/79/39/564197939.db2.gz XVGKSPKPJBXPOA-GFCCVEGCSA-N 0 3 376.194 2.616 20 30 GFEDHN CN1CCN(CC2(C)CCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000450440934 564233146 /nfs/dbraw/zinc/23/31/46/564233146.db2.gz OWYASIYVBKLJOB-UHFFFAOYSA-N 0 3 392.345 2.570 20 30 GFEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@](C)(O)C(F)(F)F ZINC000541901694 564293394 /nfs/dbraw/zinc/29/33/94/564293394.db2.gz UZSMWUBPLCHSMA-OAHLLOKOSA-N 0 3 378.464 2.898 20 30 GFEDHN C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@H]1N1CCN(C)CC1 ZINC000566484973 564328545 /nfs/dbraw/zinc/32/85/45/564328545.db2.gz VJIQHMLXUFDIJL-CXAGYDPISA-N 0 3 395.320 2.922 20 30 GFEDHN C=CCOc1ccc(CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1Cl ZINC000513059982 564418844 /nfs/dbraw/zinc/41/88/44/564418844.db2.gz YAQQPNNLQXYXPG-OAHLLOKOSA-N 0 3 384.929 2.951 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000516638424 564507813 /nfs/dbraw/zinc/50/78/13/564507813.db2.gz GMPQWUYOKXIXKC-LBPRGKRZSA-N 0 3 388.331 2.719 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000561732517 565007398 /nfs/dbraw/zinc/00/73/98/565007398.db2.gz FCUMQEMAJXPSFQ-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN CCC(C#N)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000593745447 565359855 /nfs/dbraw/zinc/35/98/55/565359855.db2.gz RKTVGDQDJGOBNP-GLQYFDAESA-N 0 3 379.254 2.714 20 30 GFEDHN COC(=O)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425919 565384261 /nfs/dbraw/zinc/38/42/61/565384261.db2.gz BMOPMBILOYQGTP-HUUCEWRRSA-N 0 3 396.285 2.581 20 30 GFEDHN N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1ccc(Br)cn1)CC2 ZINC000595056547 565445908 /nfs/dbraw/zinc/44/59/08/565445908.db2.gz LWBYTXNENJQIHW-MRXNPFEDSA-N 0 3 385.265 2.723 20 30 GFEDHN Cc1cc(N2CC[C@H](NC[C@@H](O)CC(C)(C)C#N)C2=O)ccc1Br ZINC000598725797 565637052 /nfs/dbraw/zinc/63/70/52/565637052.db2.gz ZYDIEBHTYSECPE-HOCLYGCPSA-N 0 3 394.313 2.753 20 30 GFEDHN Cc1ccc2c(ncc(C#N)c2NCCN2CC[C@@H](O)C2)c1Br ZINC000599175564 565660317 /nfs/dbraw/zinc/66/03/17/565660317.db2.gz FOYHMCWONTXKAS-CYBMUJFWSA-N 0 3 375.270 2.656 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599790879 565702685 /nfs/dbraw/zinc/70/26/85/565702685.db2.gz LUMIQWRCBWWUHL-CFVMTHIKSA-N 0 3 379.507 2.874 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600738367 565746472 /nfs/dbraw/zinc/74/64/72/565746472.db2.gz ZJURLYSKOMYFRA-OAHLLOKOSA-N 0 3 383.286 2.619 20 30 GFEDHN COc1ccc(Br)c(CNC[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600718078 565746619 /nfs/dbraw/zinc/74/66/19/565746619.db2.gz VEEMLYSLANNFST-CQSZACIVSA-N 0 3 383.286 2.619 20 30 GFEDHN Cc1cc(N2CC[C@@H](NC[C@@H](O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000600733545 565747366 /nfs/dbraw/zinc/74/73/66/565747366.db2.gz DPBSZNKDJRUFAD-GOEBONIOSA-N 0 3 392.297 2.507 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1OCC ZINC000651942114 565906308 /nfs/dbraw/zinc/90/63/08/565906308.db2.gz WNYGSIWZRGZLFG-BETUJISGSA-N 0 3 383.286 2.766 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652392044 565928892 /nfs/dbraw/zinc/92/88/92/565928892.db2.gz YEHYCRFKPPHJSG-UHFFFAOYSA-N 0 3 383.945 2.860 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000737716343 598919263 /nfs/dbraw/zinc/91/92/63/598919263.db2.gz PLZUYSQIPOLLMT-QGZVFWFLSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000737716343 598919264 /nfs/dbraw/zinc/91/92/64/598919264.db2.gz PLZUYSQIPOLLMT-QGZVFWFLSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737716343 598919265 /nfs/dbraw/zinc/91/92/65/598919265.db2.gz PLZUYSQIPOLLMT-QGZVFWFLSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737716343 598919266 /nfs/dbraw/zinc/91/92/66/598919266.db2.gz PLZUYSQIPOLLMT-QGZVFWFLSA-N 0 3 387.447 2.589 20 30 GFEDHN C#CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000735375233 598758154 /nfs/dbraw/zinc/75/81/54/598758154.db2.gz WEKVQOLGSZLSNJ-FQEVSTJZSA-N 0 3 386.459 2.818 20 30 GFEDHN C#CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000735375233 598758155 /nfs/dbraw/zinc/75/81/55/598758155.db2.gz WEKVQOLGSZLSNJ-FQEVSTJZSA-N 0 3 386.459 2.818 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739784 599668681 /nfs/dbraw/zinc/66/86/81/599668681.db2.gz HJUIBZZRSZWSQU-VQIMIIECSA-N 0 3 397.527 2.926 20 30 GFEDHN C=CC[C@H](CO)C[NH2+]Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823888087 608427190 /nfs/dbraw/zinc/42/71/90/608427190.db2.gz FUCPGYVZBQYPGK-SFHVURJKSA-N 0 3 379.464 2.720 20 30 GFEDHN C=CC[C@H](CO)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823888087 608427192 /nfs/dbraw/zinc/42/71/92/608427192.db2.gz FUCPGYVZBQYPGK-SFHVURJKSA-N 0 3 379.464 2.720 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387141 608462375 /nfs/dbraw/zinc/46/23/75/608462375.db2.gz IBAYPYLIYKESMZ-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1cccc(NC(=O)CC[N@@H+]2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387141 608462376 /nfs/dbraw/zinc/46/23/76/608462376.db2.gz IBAYPYLIYKESMZ-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#CC(C(=O)Nc1nccs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379499 608495161 /nfs/dbraw/zinc/49/51/61/608495161.db2.gz TVYYUPFLZJGWBC-NSHDSACASA-N 0 3 394.445 2.693 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(C#N)cc1F ZINC000824555932 609333141 /nfs/dbraw/zinc/33/31/41/609333141.db2.gz YREITTVANBZJTC-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN COc1ccc(CNC[C@@H](O)COc2cccc(Br)c2)cc1C#N ZINC000819184493 660249246 /nfs/dbraw/zinc/24/92/46/660249246.db2.gz ZEEJDGUQXZGTFT-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000836418734 660904620 /nfs/dbraw/zinc/90/46/20/660904620.db2.gz LVYQUWBRLSGITN-ZDUSSCGKSA-N 0 3 382.302 2.773 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173933381 655186479 /nfs/dbraw/zinc/18/64/79/655186479.db2.gz RRGLYNSSPSHWSD-GHMZBOCLSA-N 0 3 387.299 2.866 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761026284 655996718 /nfs/dbraw/zinc/99/67/18/655996718.db2.gz LMGRZIFSVISFAP-OAHLLOKOSA-N 0 3 381.270 2.633 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000773914418 656477694 /nfs/dbraw/zinc/47/76/94/656477694.db2.gz UXYCAIGIPLBABC-KDOFPFPSSA-N 0 3 393.325 2.987 20 30 GFEDHN C#CCOc1cccc(Cl)c1CNCC1CCN(S(=O)(=O)CC)CC1 ZINC000778177879 656869183 /nfs/dbraw/zinc/86/91/83/656869183.db2.gz YSLGPUNEIXAQNL-UHFFFAOYSA-N 0 3 384.929 2.503 20 30 GFEDHN C#C[C@@H](CC)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000809686347 659936125 /nfs/dbraw/zinc/93/61/25/659936125.db2.gz MSHGOVAVJDIIDD-AWEZNQCLSA-N 0 3 397.313 2.816 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000876635725 662863895 /nfs/dbraw/zinc/86/38/95/662863895.db2.gz HHMKAXQNZKYHLM-GFCCVEGCSA-N 0 3 388.693 2.672 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883343578 663053740 /nfs/dbraw/zinc/05/37/40/663053740.db2.gz RVSDLOOYNGKNPQ-UHFFFAOYSA-N 0 3 397.273 2.807 20 30 GFEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1I ZINC000884051738 663064212 /nfs/dbraw/zinc/06/42/12/663064212.db2.gz QWLKPGJQQRDCPX-BWBHSNQOSA-N 0 3 395.244 2.678 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3cccc(Br)c3)CC1)C2 ZINC000884138336 663065910 /nfs/dbraw/zinc/06/59/10/663065910.db2.gz LEVZDVXJIVLEMF-BTUGKURYSA-N 0 3 388.309 2.736 20 30 GFEDHN C#CCN(C(=O)COc1ccc(F)cc1Br)C1CCN(C)CC1 ZINC000886587252 663114298 /nfs/dbraw/zinc/11/42/98/663114298.db2.gz OJEVDLLEUHGSCB-UHFFFAOYSA-N 0 3 383.261 2.523 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H]2COCC[C@H]2OC)cc1OC ZINC000897893708 663624696 /nfs/dbraw/zinc/62/46/96/663624696.db2.gz XBVUFNROVBNAFD-HUUCEWRRSA-N 0 3 386.286 2.916 20 30 GFEDHN C#CCN(C(=O)NCc1cc(C)ccc1Br)C1CCN(C)CC1 ZINC000922889983 664617845 /nfs/dbraw/zinc/61/78/45/664617845.db2.gz XGYIZKLEUPNKBM-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN N#Cc1ccc(Br)c(COC(=O)C2CCCN(C3CC3)C2=O)c1 ZINC000924059818 664645823 /nfs/dbraw/zinc/64/58/23/664645823.db2.gz UUJCUFAHDIPMKP-CQSZACIVSA-N 0 3 377.238 2.765 20 30 GFEDHN N#Cc1nc(Cl)c(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1C#N ZINC001164629334 719078669 /nfs/dbraw/zinc/07/86/69/719078669.db2.gz XKVCDQAFHQKRRK-QAPCUYQASA-N 0 3 378.867 2.974 20 30 GFEDHN N#Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164881114 721139989 /nfs/dbraw/zinc/13/99/89/721139989.db2.gz ZCCROWIFHYVXLP-VQTJNVASSA-N 0 3 385.471 2.981 20 30 GFEDHN N#Cc1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986041 722103009 /nfs/dbraw/zinc/10/30/09/722103009.db2.gz XUMQNUXRACBAAM-VQIMIIECSA-N 0 3 383.883 2.729 20 30 GFEDHN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H](N)CCCC#N ZINC000424128780 563371426 /nfs/dbraw/zinc/37/14/26/563371426.db2.gz CFTIBHQRVAUOJA-HUUCEWRRSA-N 0 3 386.279 2.605 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000281752515 563386282 /nfs/dbraw/zinc/38/62/82/563386282.db2.gz BVPUISTWBOENIS-HNNXBMFYSA-N 0 3 398.276 2.971 20 30 GFEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000330099778 563495338 /nfs/dbraw/zinc/49/53/38/563495338.db2.gz DKVZHJZOBGDNAI-LBPRGKRZSA-N 0 3 399.220 2.643 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@@H](CO)Cc3ccc(Br)cc3)n2c1 ZINC000428542983 563495500 /nfs/dbraw/zinc/49/55/00/563495500.db2.gz RULQKHUJLRGGRR-INIZCTEOSA-N 0 3 399.292 2.909 20 30 GFEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CCN1C ZINC000330612371 563513613 /nfs/dbraw/zinc/51/36/13/563513613.db2.gz XNRDBRIVXRBSEM-PWSUYJOCSA-N 0 3 389.315 2.640 20 30 GFEDHN CN(C)CCN(Cc1ccccn1)C(=O)c1cccc(C#N)c1Br ZINC000448927813 563903576 /nfs/dbraw/zinc/90/35/76/563903576.db2.gz JKNWEXLGHXVGTO-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CCn1cc(Br)c(=O)c(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471115321 564185698 /nfs/dbraw/zinc/18/56/98/564185698.db2.gz YKUVTSRULKYVFH-CQSZACIVSA-N 0 3 399.248 2.823 20 30 GFEDHN CC1CCN(CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449615373 564193792 /nfs/dbraw/zinc/19/37/92/564193792.db2.gz YPQBFBWMOOLXDQ-UHFFFAOYSA-N 0 3 380.286 2.548 20 30 GFEDHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449926616 564209689 /nfs/dbraw/zinc/20/96/89/564209689.db2.gz MNXXCNQWGOVSLW-TZMCWYRMSA-N 0 3 380.286 2.641 20 30 GFEDHN N#Cc1cc(Br)cnc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000450411750 564231750 /nfs/dbraw/zinc/23/17/50/564231750.db2.gz OTKZZILZFWBFBO-SJORKVTESA-N 0 3 387.281 2.763 20 30 GFEDHN C=CCN(Cc1ccccc1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000451041234 564267006 /nfs/dbraw/zinc/26/70/06/564267006.db2.gz SRSKAONKJUBYQL-CQSZACIVSA-N 0 3 379.400 2.889 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2nc(C(F)(F)F)cs2)c1 ZINC000566111891 564310600 /nfs/dbraw/zinc/31/06/00/564310600.db2.gz HQATWXFIFLVOPG-UHFFFAOYSA-N 0 3 389.424 2.640 20 30 GFEDHN CCN1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000554581596 564766886 /nfs/dbraw/zinc/76/68/86/564766886.db2.gz XBBFQLDQICSNPY-UHFFFAOYSA-N 0 3 375.416 2.587 20 30 GFEDHN N#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)cc1F ZINC000581184752 564791182 /nfs/dbraw/zinc/79/11/82/564791182.db2.gz OEUKVGFCFGNPCA-UHFFFAOYSA-N 0 3 391.244 2.725 20 30 GFEDHN CN(C)C[C@H]1CCCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000556177312 564814054 /nfs/dbraw/zinc/81/40/54/564814054.db2.gz BMWBTTVJZDBRNC-CQSZACIVSA-N 0 3 380.286 2.642 20 30 GFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000657835276 565132529 /nfs/dbraw/zinc/13/25/29/565132529.db2.gz PDQIYEIBYWSJOO-WBVHZDCISA-N 0 3 384.567 2.994 20 30 GFEDHN N#Cc1ccc(Br)c(CN[C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595587805 565483748 /nfs/dbraw/zinc/48/37/48/565483748.db2.gz GWSFDFMWERFPAU-KRWDZBQOSA-N 0 3 379.298 2.978 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000602580770 565855983 /nfs/dbraw/zinc/85/59/83/565855983.db2.gz GHMUJCLIXNZBRX-OAHLLOKOSA-N 0 3 392.297 2.865 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(C)C ZINC000819740442 606680500 /nfs/dbraw/zinc/68/05/00/606680500.db2.gz ZNWJRJMDXHJEJW-INIZCTEOSA-N 0 3 390.438 2.573 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000819740442 606680501 /nfs/dbraw/zinc/68/05/01/606680501.db2.gz ZNWJRJMDXHJEJW-INIZCTEOSA-N 0 3 390.438 2.573 20 30 GFEDHN COCC[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000821689660 606890050 /nfs/dbraw/zinc/89/00/50/606890050.db2.gz HRVLYVHAUSRFBT-UHFFFAOYSA-N 0 3 392.463 2.656 20 30 GFEDHN COCC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000821689660 606890051 /nfs/dbraw/zinc/89/00/51/606890051.db2.gz HRVLYVHAUSRFBT-UHFFFAOYSA-N 0 3 392.463 2.656 20 30 GFEDHN COCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835066215 660840017 /nfs/dbraw/zinc/84/00/17/660840017.db2.gz WYNCSKQRUAGGOX-GFCCVEGCSA-N 0 3 381.219 2.834 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c[nH]1 ZINC000047011257 654688872 /nfs/dbraw/zinc/68/88/72/654688872.db2.gz IMAHVVHOBVXAFX-UHFFFAOYSA-N 0 3 375.270 2.853 20 30 GFEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055573199 654777762 /nfs/dbraw/zinc/77/77/62/654777762.db2.gz WGCMBCPKMXZELW-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccnc1Br ZINC000126952213 654822952 /nfs/dbraw/zinc/82/29/52/654822952.db2.gz IBYCJMAEKXTJLJ-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccccc3Br)c2)CC1 ZINC000154927005 655079340 /nfs/dbraw/zinc/07/93/40/655079340.db2.gz LSGBIVGKJMMGJZ-UHFFFAOYSA-N 0 3 387.281 2.919 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cn2c(n1)COCC2 ZINC000860473157 662201914 /nfs/dbraw/zinc/20/19/14/662201914.db2.gz IYBKVGZEEDSDEZ-LBPRGKRZSA-N 0 3 379.203 2.681 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncc(Cl)s1 ZINC000876368651 662860481 /nfs/dbraw/zinc/86/04/81/662860481.db2.gz JXVAKAVCWOKJLE-UHFFFAOYSA-N 0 3 377.901 2.942 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)CC(=C)Cl)nc1C ZINC000876574945 662863079 /nfs/dbraw/zinc/86/30/79/662863079.db2.gz OZYCYGSVYYCUCL-VIFPVBQESA-N 0 3 384.918 2.593 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733333 662865481 /nfs/dbraw/zinc/86/54/81/662865481.db2.gz VSJGSCGJOYRIID-IUODEOHRSA-N 0 3 386.721 2.862 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000876892394 662867748 /nfs/dbraw/zinc/86/77/48/662867748.db2.gz CAROYBUWHJPFMG-LBPRGKRZSA-N 0 3 375.778 2.937 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000876892393 662867755 /nfs/dbraw/zinc/86/77/55/662867755.db2.gz CAROYBUWHJPFMG-GFCCVEGCSA-N 0 3 375.778 2.937 20 30 GFEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000882768838 663041351 /nfs/dbraw/zinc/04/13/51/663041351.db2.gz VJBAPKTWHLCGAT-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN C[C@@H](Cc1ccccc1Br)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884165944 663066286 /nfs/dbraw/zinc/06/62/86/663066286.db2.gz RCWQURMMMZMBPX-ZEJWKSJJSA-N 0 3 376.298 2.636 20 30 GFEDHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884166033 663066462 /nfs/dbraw/zinc/06/64/62/663066462.db2.gz SYLVSHGCHFCHNI-BTTVTARESA-N 0 3 394.288 2.775 20 30 GFEDHN CC[C@@H](C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283576 663088267 /nfs/dbraw/zinc/08/82/67/663088267.db2.gz KGOHBHUSKFXPAU-CIUDSAMLSA-N 0 3 382.295 2.956 20 30 GFEDHN C#CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000886577292 663114135 /nfs/dbraw/zinc/11/41/35/663114135.db2.gz CPKUHNWWKLSNMN-UHFFFAOYSA-N 0 3 386.271 2.588 20 30 GFEDHN C#CCN(C(=O)COc1ccc(Br)cc1F)C1CCN(C)CC1 ZINC000886587492 663114283 /nfs/dbraw/zinc/11/42/83/663114283.db2.gz YKHDCLMNHZIWIP-UHFFFAOYSA-N 0 3 383.261 2.523 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(OCCOC)c(Br)c2)CC1 ZINC000888296178 663188121 /nfs/dbraw/zinc/18/81/21/663188121.db2.gz NIZGLNBZHDLYBU-UHFFFAOYSA-N 0 3 395.297 2.758 20 30 GFEDHN C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCN(C)CC1 ZINC000906451575 663949193 /nfs/dbraw/zinc/94/91/93/663949193.db2.gz IKIDAHAWBFBUAN-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000916660588 664468365 /nfs/dbraw/zinc/46/83/65/664468365.db2.gz SHMGJTXXOGUJRD-CABCVRRESA-N 0 3 375.519 2.654 20 30 GFEDHN N#CC(C(=O)Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000916939636 664474406 /nfs/dbraw/zinc/47/44/06/664474406.db2.gz RFFVOIUOBOTLCC-SNVBAGLBSA-N 0 3 399.607 2.786 20 30 GFEDHN CCN(C)C(=O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941294 664843496 /nfs/dbraw/zinc/84/34/96/664843496.db2.gz LZCQJAGNGXNHHP-DTORHVGOSA-N 0 3 382.295 2.958 20 30 GFEDHN Cc1cc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164972431 722110587 /nfs/dbraw/zinc/11/05/87/722110587.db2.gz FHYSIVXSDNBJTJ-CTNGQTDRSA-N 0 3 377.492 2.692 20 30 GFEDHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CCCSCC#N)C2)cc1 ZINC000174134023 552100365 /nfs/dbraw/zinc/10/03/65/552100365.db2.gz JQJBRFYSVCQVIP-KRWDZBQOSA-N 0 3 381.567 2.632 20 30 GFEDHN O=C(NCCN[C@H]1CCc2c1cccc2Br)C1N=CC=CC1=O ZINC000180177409 552216064 /nfs/dbraw/zinc/21/60/64/552216064.db2.gz JYWSOQAGKGGKSQ-HYEKCJMVSA-N 0 3 376.254 2.552 20 30 GFEDHN N#Cc1ccc(CN2CCC(CN3CCOCC3)CC2)c(Br)c1 ZINC000180972088 552242149 /nfs/dbraw/zinc/24/21/49/552242149.db2.gz RGUDXPKJQOXTOK-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN N#Cc1ccc([C@H](O)CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000370565663 563249031 /nfs/dbraw/zinc/24/90/31/563249031.db2.gz MRMFMFUUYMRAPQ-QGZVFWFLSA-N 0 3 375.270 2.888 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@]2(CCO)CCOC2)cc1OC ZINC000278497288 563258597 /nfs/dbraw/zinc/25/85/97/563258597.db2.gz MVWHPVXXGXASNA-KRWDZBQOSA-N 0 3 386.286 2.654 20 30 GFEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCCS(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000375017305 563387785 /nfs/dbraw/zinc/38/77/85/563387785.db2.gz HEYWETUTKJCOAH-NRSFXHEJSA-N 0 3 382.913 2.943 20 30 GFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049203 563532605 /nfs/dbraw/zinc/53/26/05/563532605.db2.gz VMAWWTCQLKBZRR-RHSMWYFYSA-N 0 3 375.519 2.809 20 30 GFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000364868315 563766272 /nfs/dbraw/zinc/76/62/72/563766272.db2.gz DDKQWRTUZHSXPI-BEFAXECRSA-N 0 3 391.357 2.779 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000367140775 563832573 /nfs/dbraw/zinc/83/25/73/563832573.db2.gz LZSWLIQDBLWQEI-INIZCTEOSA-N 0 3 377.282 2.734 20 30 GFEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000510980011 564351638 /nfs/dbraw/zinc/35/16/38/564351638.db2.gz GGCSDMXCBHBRNC-ZDUSSCGKSA-N 0 3 375.416 2.730 20 30 GFEDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000451891970 564362229 /nfs/dbraw/zinc/36/22/29/564362229.db2.gz OYGLIUSKBZXLDB-UHFFFAOYSA-N 0 3 388.331 2.719 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000519837390 564593092 /nfs/dbraw/zinc/59/30/92/564593092.db2.gz ATUCYOGMFCLBMT-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN CC1(C)CCCN1CCNC(=O)COc1cccc(Br)c1C#N ZINC000457057935 564645138 /nfs/dbraw/zinc/64/51/38/564645138.db2.gz PBBNXZTWOHXOQH-UHFFFAOYSA-N 0 3 380.286 2.690 20 30 GFEDHN CN(C)C[C@H]1CCCCN1C(=O)COc1cccc(Br)c1C#N ZINC000573672056 564649070 /nfs/dbraw/zinc/64/90/70/564649070.db2.gz SIWNKCVNYVMHEZ-CYBMUJFWSA-N 0 3 380.286 2.642 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000556136708 564813298 /nfs/dbraw/zinc/81/32/98/564813298.db2.gz QCQKIJRWBNCABK-UHFFFAOYSA-N 0 3 384.307 2.766 20 30 GFEDHN N#Cc1ccc(OCCNC[C@H](O)COc2cccc(Br)c2)cc1 ZINC000591745263 565237814 /nfs/dbraw/zinc/23/78/14/565237814.db2.gz BPOHGWGTYYLUAE-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN CN1CCC2(CC1)CN(C(=O)Nc1ccc(C#N)c(Br)c1)CCO2 ZINC000592258779 565265990 /nfs/dbraw/zinc/26/59/90/565265990.db2.gz WYHONIDNHMQHMR-UHFFFAOYSA-N 0 3 393.285 2.649 20 30 GFEDHN N#Cc1sccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000593538678 565339426 /nfs/dbraw/zinc/33/94/26/565339426.db2.gz UMGVLEWODLFLIH-UHFFFAOYSA-N 0 3 375.519 2.810 20 30 GFEDHN CN(CCN[C@H]1CCCc2cc(C#N)ccc21)S(=O)(=O)c1cccs1 ZINC000611394381 566129314 /nfs/dbraw/zinc/12/93/14/566129314.db2.gz GGXXZQBYYROTHM-KRWDZBQOSA-N 0 3 375.519 2.907 20 30 GFEDHN N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000822829838 607478457 /nfs/dbraw/zinc/47/84/57/607478457.db2.gz LLVYORWYHYITRS-UHFFFAOYSA-N 0 3 377.427 2.636 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)nc1 ZINC000826386087 608570355 /nfs/dbraw/zinc/57/03/55/608570355.db2.gz OJUFROXVEQYUCU-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)nc1 ZINC000826386087 608570357 /nfs/dbraw/zinc/57/03/57/608570357.db2.gz OJUFROXVEQYUCU-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000836195544 660894989 /nfs/dbraw/zinc/89/49/89/660894989.db2.gz YMIGSNDMEHLPKF-CYBMUJFWSA-N 0 3 382.302 2.773 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000838622640 661051016 /nfs/dbraw/zinc/05/10/16/661051016.db2.gz WXOPSMGKKYPDTJ-INIZCTEOSA-N 0 3 379.302 2.646 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000773914422 656477802 /nfs/dbraw/zinc/47/78/02/656477802.db2.gz UXYCAIGIPLBABC-RDTXWAMCSA-N 0 3 393.325 2.987 20 30 GFEDHN C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000852098295 661852528 /nfs/dbraw/zinc/85/25/28/661852528.db2.gz JDAHFDWTLWUPSO-QGZVFWFLSA-N 0 3 398.370 2.546 20 30 GFEDHN COC[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000872236758 662758841 /nfs/dbraw/zinc/75/88/41/662758841.db2.gz WTBJSAPQFRASPX-SJORKVTESA-N 0 3 397.313 2.798 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000876607190 662863442 /nfs/dbraw/zinc/86/34/42/662863442.db2.gz QTGCKTJAECSLKV-BXKDBHETSA-N 0 3 389.677 2.867 20 30 GFEDHN Cc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1I ZINC000884051737 663064263 /nfs/dbraw/zinc/06/42/63/663064263.db2.gz QWLKPGJQQRDCPX-BGMSHATGSA-N 0 3 395.244 2.678 20 30 GFEDHN CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287608 663088796 /nfs/dbraw/zinc/08/87/96/663088796.db2.gz VBLQMQGTEOYUAV-RKDXNWHRSA-N 0 3 382.295 2.958 20 30 GFEDHN CN1CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000895158101 663501295 /nfs/dbraw/zinc/50/12/95/663501295.db2.gz WKBKKUMINUTGKP-ARFHVFGLSA-N 0 3 382.302 2.554 20 30 GFEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1nc(C#N)cs1 ZINC000897298319 663599158 /nfs/dbraw/zinc/59/91/58/663599158.db2.gz IYEFJOKHZLOONO-UHFFFAOYSA-N 0 3 377.901 2.942 20 30 GFEDHN O[C@@H](CNC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000905447529 663872042 /nfs/dbraw/zinc/87/20/42/663872042.db2.gz SCLAMHXLINCRLK-UWVGGRQHSA-N 0 3 383.235 2.767 20 30 GFEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)c3ccc(C#N)o3)C2)s1 ZINC000907347930 664026773 /nfs/dbraw/zinc/02/67/73/664026773.db2.gz XSNKOUMNGCFNIO-CQSZACIVSA-N 0 3 379.507 2.664 20 30 GFEDHN N#Cc1cc(CS(=O)(=O)NCc2ccccc2CN2CCCC2)cs1 ZINC000913868751 664362485 /nfs/dbraw/zinc/36/24/85/664362485.db2.gz SBEWBNYWOIJWRJ-UHFFFAOYSA-N 0 3 375.519 2.835 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000916919958 664474526 /nfs/dbraw/zinc/47/45/26/664474526.db2.gz DYEOPIKLWBPSKD-INIZCTEOSA-N 0 3 387.233 2.992 20 30 GFEDHN N#Cc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)c(Br)c1 ZINC000924057441 664645816 /nfs/dbraw/zinc/64/58/16/664645816.db2.gz DRYFVSXFEQFTEW-CQSZACIVSA-N 0 3 377.238 2.765 20 30 GFEDHN N#Cc1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986033 722103073 /nfs/dbraw/zinc/10/30/73/722103073.db2.gz XUMQNUXRACBAAM-APWZRJJASA-N 0 3 383.883 2.729 20 30 GFEDHN Cc1cc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164972432 722110746 /nfs/dbraw/zinc/11/07/46/722110746.db2.gz FHYSIVXSDNBJTJ-FPOVZHCZSA-N 0 3 377.492 2.692 20 30 GFEDHN N#Cc1cc2c(nc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)CCC2 ZINC001164981622 722140814 /nfs/dbraw/zinc/14/08/14/722140814.db2.gz PQFCDTHAYWZCOA-SIKLNZKXSA-N 0 3 389.503 2.564 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(F)cc2I)CC1 ZINC000171718629 551662056 /nfs/dbraw/zinc/66/20/56/551662056.db2.gz JXNCXSRDCIFHEP-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000175964517 552133408 /nfs/dbraw/zinc/13/34/08/552133408.db2.gz ZEBGASWAXKNRMH-OAHLLOKOSA-N 0 3 398.326 2.570 20 30 GFEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177656684 552156721 /nfs/dbraw/zinc/15/67/21/552156721.db2.gz BASWARZJMHKQCN-UHFFFAOYSA-N 0 3 375.416 2.539 20 30 GFEDHN CC[C@H](CSC)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179664739 552199229 /nfs/dbraw/zinc/19/92/29/552199229.db2.gz WGWDQMKRAXXGLL-CVEARBPZSA-N 0 3 380.583 2.530 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000189877571 552481700 /nfs/dbraw/zinc/48/17/00/552481700.db2.gz QOSVMIWXEUFILC-UHFFFAOYSA-N 0 3 385.917 2.906 20 30 GFEDHN CS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1 ZINC000245825785 553097832 /nfs/dbraw/zinc/09/78/32/553097832.db2.gz OVZQNCBLKBBXMM-JQWIXIFHSA-N 0 3 397.909 2.798 20 30 GFEDHN CN1CC[C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369538086 563216020 /nfs/dbraw/zinc/21/60/20/563216020.db2.gz ALOSPXCMHLURJV-AEFFLSMTSA-N 0 3 375.519 2.732 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000424098279 563370866 /nfs/dbraw/zinc/37/08/66/563370866.db2.gz GUPOLNGBWLTRPB-HNNXBMFYSA-N 0 3 380.286 2.592 20 30 GFEDHN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCN(C)CC1 ZINC000330482309 563508305 /nfs/dbraw/zinc/50/83/05/563508305.db2.gz RECTVZRWIHCYBI-MRXNPFEDSA-N 0 3 396.329 2.989 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@@H]1N(C)C ZINC000330834608 563523005 /nfs/dbraw/zinc/52/30/05/563523005.db2.gz WHCCHKSDYKPZDX-QWHCGFSZSA-N 0 3 375.489 3.000 20 30 GFEDHN C=CCN=c1[nH]cc(C(=O)NCC2(N3CCSCC3)CCCCC2)s1 ZINC000433230022 563606716 /nfs/dbraw/zinc/60/67/16/563606716.db2.gz FTKKQYRXTYVKOG-UHFFFAOYSA-N 0 3 380.583 2.644 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(I)cc2NC)CC1 ZINC000412047951 563645550 /nfs/dbraw/zinc/64/55/50/563645550.db2.gz WMQRHWRSJXPWLK-UHFFFAOYSA-N 0 3 399.276 2.713 20 30 GFEDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449929126 564209506 /nfs/dbraw/zinc/20/95/06/564209506.db2.gz ROZNSTYHJRRMGJ-OLZOCXBDSA-N 0 3 380.286 2.641 20 30 GFEDHN N#Cc1ccc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1F ZINC000565944661 564303259 /nfs/dbraw/zinc/30/32/59/564303259.db2.gz DFTLRHVQQAAELO-OAHLLOKOSA-N 0 3 379.482 2.702 20 30 GFEDHN CS[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000542772269 564326076 /nfs/dbraw/zinc/32/60/76/564326076.db2.gz BDZXKEQRYKYGAD-ROUUACIJSA-N 0 3 375.563 2.830 20 30 GFEDHN CCCN1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000451719095 564342935 /nfs/dbraw/zinc/34/29/35/564342935.db2.gz IRDPGLRXWWBNAK-ZDUSSCGKSA-N 0 3 380.286 2.690 20 30 GFEDHN CCCN1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000451717276 564343403 /nfs/dbraw/zinc/34/34/03/564343403.db2.gz BVOJLYVAXBODMN-AWEZNQCLSA-N 0 3 380.286 2.690 20 30 GFEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459707123 564757803 /nfs/dbraw/zinc/75/78/03/564757803.db2.gz WKUKLGKZMGXBEG-CQSZACIVSA-N 0 3 379.551 2.725 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000580906487 564779570 /nfs/dbraw/zinc/77/95/70/564779570.db2.gz YNMRXTCOEFQAQE-UHFFFAOYSA-N 0 3 383.286 2.847 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000557555018 564866944 /nfs/dbraw/zinc/86/69/44/564866944.db2.gz QQTYXRVAGFKNQE-AWEZNQCLSA-N 0 3 383.945 2.907 20 30 GFEDHN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C(C)C#N)C1=O ZINC000561377761 564993201 /nfs/dbraw/zinc/99/32/01/564993201.db2.gz FYYCBYBKAZFHOM-OCCSQVGLSA-N 0 3 378.270 2.837 20 30 GFEDHN CN(CCC#N)C(=O)CCNC1(c2cccc(Br)c2)CCOCC1 ZINC000534954371 565000343 /nfs/dbraw/zinc/00/03/43/565000343.db2.gz SQDDKFHIFBACRH-UHFFFAOYSA-N 0 3 394.313 2.807 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(F)c2C)CC1 ZINC000657679315 565119522 /nfs/dbraw/zinc/11/95/22/565119522.db2.gz CNRUETXYACVGAQ-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595256787 565459154 /nfs/dbraw/zinc/45/91/54/565459154.db2.gz RZWXASPLSUGIDY-MRXNPFEDSA-N 0 3 379.302 2.509 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Br)cnc2OC)CC1 ZINC000623579027 565518912 /nfs/dbraw/zinc/51/89/12/565518912.db2.gz KEUDEVIQQXOXPR-UHFFFAOYSA-N 0 3 397.317 2.692 20 30 GFEDHN COc1ccc(CNC[C@H](O)COc2ccccc2C#N)cc1Br ZINC000600722662 565746736 /nfs/dbraw/zinc/74/67/36/565746736.db2.gz KEOQOEFDQKLLRK-HNNXBMFYSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1cccc(CNC[C@@H](CO)Cc2cc(Br)ccc2F)n1 ZINC000602681470 565862737 /nfs/dbraw/zinc/86/27/37/565862737.db2.gz APILAOXWCWKQOF-LBPRGKRZSA-N 0 3 378.245 2.796 20 30 GFEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602865020 565872135 /nfs/dbraw/zinc/87/21/35/565872135.db2.gz SAZBROJQSZOMAK-KBPBESRZSA-N 0 3 379.302 2.696 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000735420254 598269507 /nfs/dbraw/zinc/26/95/07/598269507.db2.gz NPCKMDBHWOBIJY-SFHVURJKSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000735420254 598269508 /nfs/dbraw/zinc/26/95/08/598269508.db2.gz NPCKMDBHWOBIJY-SFHVURJKSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000735420254 598269510 /nfs/dbraw/zinc/26/95/10/598269510.db2.gz NPCKMDBHWOBIJY-SFHVURJKSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000735420254 598269513 /nfs/dbraw/zinc/26/95/13/598269513.db2.gz NPCKMDBHWOBIJY-SFHVURJKSA-N 0 3 397.527 2.685 20 30 GFEDHN CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821094062 599302731 /nfs/dbraw/zinc/30/27/31/599302731.db2.gz CBJMSXZQHBPOLL-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821094062 599302734 /nfs/dbraw/zinc/30/27/34/599302734.db2.gz CBJMSXZQHBPOLL-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821094062 599302738 /nfs/dbraw/zinc/30/27/38/599302738.db2.gz CBJMSXZQHBPOLL-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821094062 599302741 /nfs/dbraw/zinc/30/27/41/599302741.db2.gz CBJMSXZQHBPOLL-UHFFFAOYSA-N 0 3 389.463 2.979 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000823909705 607781993 /nfs/dbraw/zinc/78/19/93/607781993.db2.gz OAGLDFVRUGUXHH-LJQANCHMSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000823909705 607781994 /nfs/dbraw/zinc/78/19/94/607781994.db2.gz OAGLDFVRUGUXHH-LJQANCHMSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000823909705 607781995 /nfs/dbraw/zinc/78/19/95/607781995.db2.gz OAGLDFVRUGUXHH-LJQANCHMSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000823909705 607781996 /nfs/dbraw/zinc/78/19/96/607781996.db2.gz OAGLDFVRUGUXHH-LJQANCHMSA-N 0 3 397.527 2.685 20 30 GFEDHN C#C[C@@H](NC(=O)NCCN1CCC(OC)CC1)c1ccc(Br)cc1 ZINC000820615788 660300242 /nfs/dbraw/zinc/30/02/42/660300242.db2.gz DNUIFDVHUVGNLH-QGZVFWFLSA-N 0 3 394.313 2.533 20 30 GFEDHN C#CCCN(CCOC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000827823262 660517757 /nfs/dbraw/zinc/51/77/57/660517757.db2.gz MUVCETPYEZWNAY-UHFFFAOYSA-N 0 3 381.314 2.757 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000836385741 660902971 /nfs/dbraw/zinc/90/29/71/660902971.db2.gz JIUAWFRISDVHHD-RHSMWYFYSA-N 0 3 396.329 2.779 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267955780 654953980 /nfs/dbraw/zinc/95/39/80/654953980.db2.gz XVOJYKIGWVNSEA-UHFFFAOYSA-N 0 3 386.221 2.877 20 30 GFEDHN C=C(Br)CNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000069119675 654973758 /nfs/dbraw/zinc/97/37/58/654973758.db2.gz UKVXTAJJHCGMKL-UHFFFAOYSA-N 0 3 395.345 2.532 20 30 GFEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000173993390 655188889 /nfs/dbraw/zinc/18/88/89/655188889.db2.gz UXHIKWVRZGOXPY-AWEZNQCLSA-N 0 3 375.416 2.682 20 30 GFEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174013317 655190147 /nfs/dbraw/zinc/19/01/47/655190147.db2.gz SIWWNFNSWKCKTG-CYBMUJFWSA-N 0 3 388.221 2.743 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)sc1Br ZINC000328187299 655386831 /nfs/dbraw/zinc/38/68/31/655386831.db2.gz PABWSQNLAAYMSE-UHFFFAOYSA-N 0 3 394.132 2.958 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2n(n1)CCCO2 ZINC000763928138 656096782 /nfs/dbraw/zinc/09/67/82/656096782.db2.gz AZSHFOIXWVGPCA-GFCCVEGCSA-N 0 3 379.203 2.934 20 30 GFEDHN O=C1Nc2ccc(Br)c(Cl)c2C1=NNCCN1CCCCC1 ZINC000788015766 657633609 /nfs/dbraw/zinc/63/36/09/657633609.db2.gz OCWHWQFQFYDYTF-UHFFFAOYSA-N 0 3 385.693 2.834 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn2c1OCCC2 ZINC000796743865 658936404 /nfs/dbraw/zinc/93/64/04/658936404.db2.gz HASQQVKXLWZGKO-LBPRGKRZSA-N 0 3 379.203 2.934 20 30 GFEDHN Cn1cc(CNC2CCC(Oc3ncccc3C#N)CC2)c(Br)n1 ZINC000858158535 662101988 /nfs/dbraw/zinc/10/19/88/662101988.db2.gz KZNRWNYVHDPSTN-UHFFFAOYSA-N 0 3 390.285 2.929 20 30 GFEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000870142166 662675884 /nfs/dbraw/zinc/67/58/84/662675884.db2.gz GPHSREVLJJFKIY-AWEZNQCLSA-N 0 3 381.219 2.797 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876775381 662866271 /nfs/dbraw/zinc/86/62/71/662866271.db2.gz AITWPQODTMULMW-ZYHUDNBSSA-N 0 3 397.228 2.919 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1 ZINC000880218095 662954951 /nfs/dbraw/zinc/95/49/51/662954951.db2.gz GRSBKPPBHIUCON-GBESFXJTSA-N 0 3 387.277 2.994 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)CCC1 ZINC000886315746 663107956 /nfs/dbraw/zinc/10/79/56/663107956.db2.gz ZOUIALHTIMCQFN-XYJFISCASA-N 0 3 379.298 2.834 20 30 GFEDHN C#CCN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CCN(C)CC1 ZINC000886572629 663113971 /nfs/dbraw/zinc/11/39/71/663113971.db2.gz UQSVCHBDIFSHLP-NZSAHSFTSA-N 0 3 387.321 2.891 20 30 GFEDHN N#CC(C(=O)Cn1cc(Br)cn1)C(=O)Nc1ccccc1Cl ZINC000916913649 664473979 /nfs/dbraw/zinc/47/39/79/664473979.db2.gz YBFVHISRVUENHO-SNVBAGLBSA-N 0 3 381.617 2.647 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932141066 664810971 /nfs/dbraw/zinc/81/09/71/664810971.db2.gz OGZVAPUHUYIYEZ-OAHLLOKOSA-N 0 3 392.297 2.642 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCOC2 ZINC001164907268 721561537 /nfs/dbraw/zinc/56/15/37/721561537.db2.gz NRWQMXAUFIEASM-UYAOXDASSA-N 0 3 394.450 2.507 20 30 GFEDHN N#Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985214 722098658 /nfs/dbraw/zinc/09/86/58/722098658.db2.gz VPAKCSLSLMXSJT-MSOLQXFVSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1cc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982775 722134150 /nfs/dbraw/zinc/13/41/50/722134150.db2.gz SIJUNJBGLUIKBU-APWZRJJASA-N 0 3 383.883 2.729 20 30 GFEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1CC#N ZINC001164972710 722145559 /nfs/dbraw/zinc/14/55/59/722145559.db2.gz AJVJBSBABBBLGG-LEWJYISDSA-N 0 3 377.492 2.578 20 30 GFEDHN N#Cc1cc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)ncc1Br ZINC000603407183 532694089 /nfs/dbraw/zinc/69/40/89/532694089.db2.gz BEWUFJCDKZYQCJ-MRXNPFEDSA-N 0 3 387.281 2.894 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000121678268 551239862 /nfs/dbraw/zinc/23/98/62/551239862.db2.gz RYWMYIPGWNLJAT-DYVFJYSZSA-N 0 3 379.913 2.849 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000121678125 551239877 /nfs/dbraw/zinc/23/98/77/551239877.db2.gz RYWMYIPGWNLJAT-CXAGYDPISA-N 0 3 379.913 2.849 20 30 GFEDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119496 552354459 /nfs/dbraw/zinc/35/44/59/552354459.db2.gz UBQCBJCACAXHBE-CANCMXDXSA-N 0 3 381.567 2.916 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000371535573 563281011 /nfs/dbraw/zinc/28/10/11/563281011.db2.gz CDWSNWXVBRAXFG-KRWDZBQOSA-N 0 3 391.357 2.780 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000297286986 563322429 /nfs/dbraw/zinc/32/24/29/563322429.db2.gz GRLRIILDTAMINN-UHFFFAOYSA-N 0 3 393.289 2.654 20 30 GFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000424132154 563371449 /nfs/dbraw/zinc/37/14/49/563371449.db2.gz VUVASHOKGCSHIS-INIZCTEOSA-N 0 3 390.285 2.848 20 30 GFEDHN C=C(C)CN1CCC(Nc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000301423078 563402834 /nfs/dbraw/zinc/40/28/34/563402834.db2.gz GBIWHRQCZAFTOZ-UHFFFAOYSA-N 0 3 377.432 2.805 20 30 GFEDHN CC1CCN(C[C@H](O)CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000328675015 563463166 /nfs/dbraw/zinc/46/31/66/563463166.db2.gz QLNRKMGVXPMITC-MRXNPFEDSA-N 0 3 396.329 2.925 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000329011397 563469725 /nfs/dbraw/zinc/46/97/25/563469725.db2.gz DSAYWBVGIKLZNK-HUUCEWRRSA-N 0 3 395.301 2.771 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284957921 563496668 /nfs/dbraw/zinc/49/66/68/563496668.db2.gz QIXIAKOIPCNUPM-QGZVFWFLSA-N 0 3 376.298 2.757 20 30 GFEDHN C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000285463040 563522044 /nfs/dbraw/zinc/52/20/44/563522044.db2.gz ZLPITCRSNPISDV-JSGCOSHPSA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1ncn(CCNCc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC000285507387 563524459 /nfs/dbraw/zinc/52/44/59/563524459.db2.gz NGBTZABYFJOPEP-UHFFFAOYSA-N 0 3 390.163 2.601 20 30 GFEDHN C[C@H]1CN(CCCNC(=O)c2cccc(C#N)c2Br)CCCO1 ZINC000331586296 563554232 /nfs/dbraw/zinc/55/42/32/563554232.db2.gz XPWAUTBCJRRCDJ-ZDUSSCGKSA-N 0 3 380.286 2.551 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(CC)C[C@H](C)C#N ZINC000409559199 563565038 /nfs/dbraw/zinc/56/50/38/563565038.db2.gz YEAHNJUJYIJMPA-MRXNPFEDSA-N 0 3 386.587 2.618 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCCCCN2)nc1C ZINC000364490020 563754717 /nfs/dbraw/zinc/75/47/17/563754717.db2.gz UEJPHAZNNSILHI-LLVKDONJSA-N 0 3 378.527 2.655 20 30 GFEDHN O=C(NCCN[C@H]1CCc2sc(Br)cc21)C1N=CC=CC1=O ZINC000294554723 563846400 /nfs/dbraw/zinc/84/64/00/563846400.db2.gz BCXNIKRCBRKGPX-PQJBRBTKSA-N 0 3 382.283 2.614 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)[C@@H]2CCCO2)cc1OC ZINC000447968675 563892539 /nfs/dbraw/zinc/89/25/39/563892539.db2.gz RDZNBGNJUUHJHK-GJZGRUSLSA-N 0 3 386.286 2.652 20 30 GFEDHN CC(C)N1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449832291 564204813 /nfs/dbraw/zinc/20/48/13/564204813.db2.gz AHPKCBBFFKZQIU-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450026231 564213676 /nfs/dbraw/zinc/21/36/76/564213676.db2.gz VOWJXNJGRYYHNQ-AWEZNQCLSA-N 0 3 380.286 2.642 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1C#N ZINC000540124312 564239980 /nfs/dbraw/zinc/23/99/80/564239980.db2.gz HSWBDJNWAQTRRY-JKSUJKDBSA-N 0 3 376.551 2.670 20 30 GFEDHN COc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1Br ZINC000566109019 564310302 /nfs/dbraw/zinc/31/03/02/564310302.db2.gz IJVWEFKSGNCNKN-OAHLLOKOSA-N 0 3 391.265 2.859 20 30 GFEDHN CSC1(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCN(C)CC1 ZINC000451575670 564327634 /nfs/dbraw/zinc/32/76/34/564327634.db2.gz YFCJQSXYUFDLDO-UHFFFAOYSA-N 0 3 387.958 2.512 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451672124 564337968 /nfs/dbraw/zinc/33/79/68/564337968.db2.gz HLSIHXJHRRSSLL-KGLIPLIRSA-N 0 3 384.230 2.619 20 30 GFEDHN O=C(CC(F)(F)F)NC[C@@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000510905458 564349698 /nfs/dbraw/zinc/34/96/98/564349698.db2.gz QAZFBOXTBQVLKG-JTQLQIEISA-N 0 3 382.320 2.684 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2ccc(Br)cc2)cc1 ZINC000570625606 564514752 /nfs/dbraw/zinc/51/47/52/564514752.db2.gz BKKRJGKLFBNSPL-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN C[NH+](C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000487082407 564674542 /nfs/dbraw/zinc/67/45/42/564674542.db2.gz GXJNOPROXPADJS-CHWSQXEVSA-N 0 3 375.416 2.728 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@]2(OC)CCOC2)cc1OC ZINC000461420461 564796882 /nfs/dbraw/zinc/79/68/82/564796882.db2.gz GENNJACXWBRAFN-QGZVFWFLSA-N 0 3 386.286 2.918 20 30 GFEDHN C=CCOc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)cc1 ZINC000532932527 564950057 /nfs/dbraw/zinc/95/00/57/564950057.db2.gz XDNCWMHCAKJJCF-UHFFFAOYSA-N 0 3 380.535 2.998 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000595260319 565460435 /nfs/dbraw/zinc/46/04/35/565460435.db2.gz ZQRJCGKVTCQSHE-SNVBAGLBSA-N 0 3 397.220 2.517 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000595260319 565460437 /nfs/dbraw/zinc/46/04/37/565460437.db2.gz ZQRJCGKVTCQSHE-SNVBAGLBSA-N 0 3 397.220 2.517 20 30 GFEDHN Cc1ccc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)cc1C#N ZINC000600663429 565743398 /nfs/dbraw/zinc/74/33/98/565743398.db2.gz BEJVQLQGYXRUPS-CQSZACIVSA-N 0 3 376.503 2.590 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000600720869 565746907 /nfs/dbraw/zinc/74/69/07/565746907.db2.gz RHDJIBBHHSABPC-GDBMZVCRSA-N 0 3 395.297 2.934 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000600720874 565746964 /nfs/dbraw/zinc/74/69/64/565746964.db2.gz RHDJIBBHHSABPC-ZBFHGGJFSA-N 0 3 395.297 2.934 20 30 GFEDHN N#Cc1ccc(C[N@H+]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737711861 598632477 /nfs/dbraw/zinc/63/24/77/598632477.db2.gz MAWLWAMMHFLANT-UHFFFAOYSA-N 0 3 377.427 2.590 20 30 GFEDHN N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000737711861 598632479 /nfs/dbraw/zinc/63/24/79/598632479.db2.gz MAWLWAMMHFLANT-UHFFFAOYSA-N 0 3 377.427 2.590 20 30 GFEDHN N#CC(C(=O)CCCOc1ccccc1Br)C(=O)N1CCCC1 ZINC000124862062 654783063 /nfs/dbraw/zinc/78/30/63/654783063.db2.gz PEPIGECVMPZYQH-CYBMUJFWSA-N 0 3 379.254 2.939 20 30 GFEDHN C#CCOc1ccc([C@H](C)NCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181503685 655338428 /nfs/dbraw/zinc/33/84/28/655338428.db2.gz ZREUYDXWCNAHTG-HNNXBMFYSA-N 0 3 378.519 2.731 20 30 GFEDHN C#CCOc1ccc([C@@H](C)NCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000181512138 655338597 /nfs/dbraw/zinc/33/85/97/655338597.db2.gz VZXVEGHQZBQLFO-OAHLLOKOSA-N 0 3 378.519 2.698 20 30 GFEDHN C#CCNC(=O)C1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000769024333 656263415 /nfs/dbraw/zinc/26/34/15/656263415.db2.gz CONIAQQWLSHOOO-UHFFFAOYSA-N 0 3 389.293 2.686 20 30 GFEDHN CC[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)[S@]1=O ZINC000796378310 658914890 /nfs/dbraw/zinc/91/48/90/658914890.db2.gz OVCQAKTUPDBCLC-IYFOKCQASA-N 0 3 375.519 2.704 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cnn2c1OCCC2 ZINC000796743863 658936223 /nfs/dbraw/zinc/93/62/23/658936223.db2.gz HASQQVKXLWZGKO-GFCCVEGCSA-N 0 3 379.203 2.934 20 30 GFEDHN N#CC(C(=O)Cc1ccc(Br)c(F)c1)C(=O)Nc1ccccn1 ZINC000810535474 659977070 /nfs/dbraw/zinc/97/70/70/659977070.db2.gz IRXSSIOOGAYEQK-NSHDSACASA-N 0 3 376.185 2.873 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000813058886 660041332 /nfs/dbraw/zinc/04/13/32/660041332.db2.gz PEHBOHIWRCDQPC-AAEUAGOBSA-N 0 3 399.260 2.943 20 30 GFEDHN CC[C@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NCCCOC ZINC000842284310 661331567 /nfs/dbraw/zinc/33/15/67/661331567.db2.gz HAPOJBCYKWVUIQ-ZBFHGGJFSA-N 0 3 395.297 2.879 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000842689970 661349654 /nfs/dbraw/zinc/34/96/54/661349654.db2.gz LVCLXFUIEMMOAZ-RISCZKNCSA-N 0 3 379.254 2.891 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000848398309 661645662 /nfs/dbraw/zinc/64/56/62/661645662.db2.gz SUAHCKOEZUBNTK-HZPDHXFCSA-N 0 3 380.286 2.760 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000876548870 662862694 /nfs/dbraw/zinc/86/26/94/662862694.db2.gz AAIJPLPSCZQUGN-OAHLLOKOSA-N 0 3 385.917 2.578 20 30 GFEDHN CN1CCN([C@H](CNCc2cc(C#N)cnc2Cl)c2cccs2)CC1 ZINC000876884370 662867656 /nfs/dbraw/zinc/86/76/56/662867656.db2.gz HFYGKPHXVHLSOV-MRXNPFEDSA-N 0 3 375.929 2.746 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)cc1 ZINC000878876183 662907993 /nfs/dbraw/zinc/90/79/93/662907993.db2.gz TXVZBTQLPYBXPX-WMZOPIPTSA-N 0 3 388.265 2.902 20 30 GFEDHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884166032 663066259 /nfs/dbraw/zinc/06/62/59/663066259.db2.gz SYLVSHGCHFCHNI-AJOZBUNDSA-N 0 3 394.288 2.775 20 30 GFEDHN C#CCN(C(=O)c1cnc2ncc(Br)cc2c1)C1CCN(C)CC1 ZINC000886577527 663114069 /nfs/dbraw/zinc/11/40/69/663114069.db2.gz LSUAWYKDCWCWFD-UHFFFAOYSA-N 0 3 387.281 2.562 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc(Br)cc1 ZINC000892463059 663374650 /nfs/dbraw/zinc/37/46/50/663374650.db2.gz YTJOJBSPGXHWOF-OAHLLOKOSA-N 0 3 381.270 2.633 20 30 GFEDHN CSc1ccc([C@H](CNC(=O)NCc2nc(C#N)cs2)N(C)C)cc1 ZINC000895059943 663497592 /nfs/dbraw/zinc/49/75/92/663497592.db2.gz YZCQKRCMUVTSFO-HNNXBMFYSA-N 0 3 375.523 2.839 20 30 GFEDHN CN1CC[C@H]([NH2+][C@H]2CCCN([O-])C2=O)C[C@@H]1c1ccc(Br)cc1 ZINC000895158102 663501336 /nfs/dbraw/zinc/50/13/36/663501336.db2.gz WKBKKUMINUTGKP-HRCADAONSA-N 0 3 382.302 2.554 20 30 GFEDHN C#CCN(C(=O)NCc1cc(F)ccc1Br)C1CCN(C)CC1 ZINC000914278078 664394478 /nfs/dbraw/zinc/39/44/78/664394478.db2.gz QPDVOEXWSPNBIA-UHFFFAOYSA-N 0 3 382.277 2.827 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(Br)c(C)c1)C1CCN(C)CC1 ZINC000922826623 664615763 /nfs/dbraw/zinc/61/57/63/664615763.db2.gz DOPDNSUQQOOFQC-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN O[C@@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945305 664844073 /nfs/dbraw/zinc/84/40/73/664844073.db2.gz VIFKUDTXTGVJEJ-KXUCPTDWSA-N 0 3 383.279 2.631 20 30 GFEDHN C[C@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000934496459 664908869 /nfs/dbraw/zinc/90/88/69/664908869.db2.gz BGJNTUPCQRCLMU-ZWKOTPCHSA-N 0 3 375.266 2.851 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)ccc1Br ZINC000380930193 677405884 /nfs/dbraw/zinc/40/58/84/677405884.db2.gz NXVWNDAJPZRIAS-UHFFFAOYSA-N 0 3 388.103 2.897 20 30 GFEDHN CC[C@@H](CSC)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179664725 552199514 /nfs/dbraw/zinc/19/95/14/552199514.db2.gz WGWDQMKRAXXGLL-HOTGVXAUSA-N 0 3 380.583 2.530 20 30 GFEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000298543192 563358949 /nfs/dbraw/zinc/35/89/49/563358949.db2.gz DGHUKWUHPCQTIQ-QGZVFWFLSA-N 0 3 396.329 2.774 20 30 GFEDHN CC(C(=O)NC[C@H]1SCCc2ccccc21)S(=O)(=O)C1CCOCC1 ZINC000330067405 563494552 /nfs/dbraw/zinc/49/45/52/563494552.db2.gz FNBRVMQZPXKUKW-CXAGYDPISA-N 0 3 383.535 2.956 20 30 GFEDHN CC(C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000330166502 563497888 /nfs/dbraw/zinc/49/78/88/563497888.db2.gz YDGDHNBMLJHJQN-YCPHGPKFSA-N 0 3 375.531 2.767 20 30 GFEDHN C[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000378311702 563501763 /nfs/dbraw/zinc/50/17/63/563501763.db2.gz HPIINDNVDAZBHW-WMLDXEAASA-N 0 3 377.330 2.783 20 30 GFEDHN C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C[NH+](C)C ZINC000330671114 563516875 /nfs/dbraw/zinc/51/68/75/563516875.db2.gz MQJXNFDBEMRNJK-LLVKDONJSA-N 0 3 388.331 2.575 20 30 GFEDHN C[C@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000285630394 563529918 /nfs/dbraw/zinc/52/99/18/563529918.db2.gz ZZBBGCBSSPVTNN-ZWKOTPCHSA-N 0 3 375.266 2.851 20 30 GFEDHN CCN1CCCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449855218 564206027 /nfs/dbraw/zinc/20/60/27/564206027.db2.gz KTKCNJCCAHLGBI-CYBMUJFWSA-N 0 3 380.286 2.690 20 30 GFEDHN CN(c1ncc(Br)cc1C#N)C1CCN(CCn2cccn2)CC1 ZINC000450315574 564226810 /nfs/dbraw/zinc/22/68/10/564226810.db2.gz XFOQEXVYLBGFQB-UHFFFAOYSA-N 0 3 389.301 2.513 20 30 GFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451686519 564340388 /nfs/dbraw/zinc/34/03/88/564340388.db2.gz GGSPGWQLGXIALH-HIFRSBDPSA-N 0 3 392.297 2.785 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCCC1 ZINC000567851171 564393066 /nfs/dbraw/zinc/39/30/66/564393066.db2.gz YAHRETJDXKOLPV-AWEZNQCLSA-N 0 3 386.315 2.507 20 30 GFEDHN Cc1nc(NC(=O)c2ccnc(OCCN(C)C)c2)sc1SCC#N ZINC000512345006 564398686 /nfs/dbraw/zinc/39/86/86/564398686.db2.gz ANTBORDAFXZODQ-UHFFFAOYSA-N 0 3 377.495 2.655 20 30 GFEDHN CC(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 ZINC000478446229 564402429 /nfs/dbraw/zinc/40/24/29/564402429.db2.gz MBNCABRTJHZLIL-DOMZBBRYSA-N 0 3 397.260 2.531 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000479826221 564451722 /nfs/dbraw/zinc/45/17/22/564451722.db2.gz BBXLMKFVXFWDPC-LBPRGKRZSA-N 0 3 391.942 2.898 20 30 GFEDHN C[NH+](C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000487082408 564674463 /nfs/dbraw/zinc/67/44/63/564674463.db2.gz GXJNOPROXPADJS-OLZOCXBDSA-N 0 3 375.416 2.728 20 30 GFEDHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC(C)(C)CC#N ZINC000459735451 564759619 /nfs/dbraw/zinc/75/96/19/564759619.db2.gz SVUJSANRIXXJOV-LBPRGKRZSA-N 0 3 382.302 2.992 20 30 GFEDHN N#CC(CCc1ccccc1)C(=O)NCCCn1cc(Br)cn1 ZINC000492296654 564801006 /nfs/dbraw/zinc/80/10/06/564801006.db2.gz SPQRWNQOGRJNKJ-OAHLLOKOSA-N 0 3 375.270 2.924 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000583052669 564873854 /nfs/dbraw/zinc/87/38/54/564873854.db2.gz MQBIBWMTMGQURQ-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(Cl)cc2Cl)nc1 ZINC000589057953 565148614 /nfs/dbraw/zinc/14/86/14/565148614.db2.gz UCRAMJAIXDGCIX-UHFFFAOYSA-N 0 3 384.288 2.866 20 30 GFEDHN C[C@@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593571409 565342383 /nfs/dbraw/zinc/34/23/83/565342383.db2.gz HUEUMOWSQRZBOG-GDBMZVCRSA-N 0 3 375.519 2.809 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000593656297 565353739 /nfs/dbraw/zinc/35/37/39/565353739.db2.gz KELBIMQRQUEPHM-KRWDZBQOSA-N 0 3 376.298 2.996 20 30 GFEDHN COCCOc1ccc(Br)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594436064 565385592 /nfs/dbraw/zinc/38/55/92/565385592.db2.gz LIMARGWXCLSMHI-CYBMUJFWSA-N 0 3 384.274 2.824 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000594445233 565385744 /nfs/dbraw/zinc/38/57/44/565385744.db2.gz INYJUEHJLGWTHD-LSDHHAIUSA-N 0 3 383.279 2.626 20 30 GFEDHN CC[C@H]1CN(C)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597605127 565567793 /nfs/dbraw/zinc/56/77/93/565567793.db2.gz MXFSXOPVMZPVNV-AWEZNQCLSA-N 0 3 380.286 2.642 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000599404909 565677144 /nfs/dbraw/zinc/67/71/44/565677144.db2.gz QUHTZZVKVUCRAY-DLBZAZTESA-N 0 3 394.313 2.956 20 30 GFEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094737 566114064 /nfs/dbraw/zinc/11/40/64/566114064.db2.gz VOCMUGANEVJDBR-ZDUSSCGKSA-N 0 3 383.323 2.868 20 30 GFEDHN Cc1cc(NC(=O)C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)no1 ZINC000826269451 608494908 /nfs/dbraw/zinc/49/49/08/608494908.db2.gz MMFJKXMXPCOHJG-LBPRGKRZSA-N 0 3 392.404 2.533 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000818596050 660229428 /nfs/dbraw/zinc/22/94/28/660229428.db2.gz ZVSIHTXDAOFJML-UHFFFAOYSA-N 0 3 389.297 2.628 20 30 GFEDHN N#CC(C(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccn1 ZINC000041482365 654627624 /nfs/dbraw/zinc/62/76/24/654627624.db2.gz MKRMPEUVVDQOTP-AWEZNQCLSA-N 0 3 397.232 2.821 20 30 GFEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000130456194 654888907 /nfs/dbraw/zinc/88/89/07/654888907.db2.gz RUMBCKZFQCBUON-OAHLLOKOSA-N 0 3 382.247 2.899 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)ccc1F ZINC000136375630 655030833 /nfs/dbraw/zinc/03/08/33/655030833.db2.gz PEEUEUSNRYTAAM-AWEZNQCLSA-N 0 3 399.260 2.772 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000138844885 655043700 /nfs/dbraw/zinc/04/37/00/655043700.db2.gz FLFWFBLBCADOHJ-SNVBAGLBSA-N 0 3 388.177 2.534 20 30 GFEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000171566889 655152331 /nfs/dbraw/zinc/15/23/31/655152331.db2.gz CZYAPFWMUWNTAU-IAQYHMDHSA-N 0 3 382.247 2.899 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCSc1ccc(Br)cc1 ZINC000171776784 655153882 /nfs/dbraw/zinc/15/38/82/655153882.db2.gz QOLKTJXJDLTIJF-AWEZNQCLSA-N 0 3 399.310 2.793 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCN([C@H]3CCSC3)CC2)cc1Cl ZINC000365861574 655395785 /nfs/dbraw/zinc/39/57/85/655395785.db2.gz DLUBRLOCWDYJQJ-INIZCTEOSA-N 0 3 378.929 2.663 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000566062719 655424536 /nfs/dbraw/zinc/42/45/36/655424536.db2.gz IOJACIORRNJZSS-BFVZDQMLSA-N 0 3 379.309 2.883 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000730685405 655577235 /nfs/dbraw/zinc/57/72/35/655577235.db2.gz FLRZEDPTUOTFLS-GFCCVEGCSA-N 0 3 379.869 2.744 20 30 GFEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000743449284 655729287 /nfs/dbraw/zinc/72/92/87/655729287.db2.gz KBLQKJAHCWZMPU-LBPRGKRZSA-N 0 3 375.837 2.999 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000783535666 657238002 /nfs/dbraw/zinc/23/80/02/657238002.db2.gz FJTSCFQMLVYSMU-GFCCVEGCSA-N 0 3 378.416 2.613 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000786931455 657490656 /nfs/dbraw/zinc/49/06/56/657490656.db2.gz XYYMTJMARFEBLL-BFVZDQMLSA-N 0 3 382.247 2.932 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786930983 657491042 /nfs/dbraw/zinc/49/10/42/657491042.db2.gz SHQUBLJOHWIUBV-NHCYSSNCSA-N 0 3 382.247 2.932 20 30 GFEDHN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000842685011 661349091 /nfs/dbraw/zinc/34/90/91/661349091.db2.gz OPWDPZWWFVGBGG-QMTHXVAHSA-N 0 3 377.238 2.645 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000876554616 662862708 /nfs/dbraw/zinc/86/27/08/662862708.db2.gz PWCYYWZJTHUOER-LBPRGKRZSA-N 0 3 377.794 2.962 20 30 GFEDHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884097073 663065101 /nfs/dbraw/zinc/06/51/01/663065101.db2.gz SFPSUUNFGGISPW-MNSPSGFLSA-N 0 3 376.298 2.636 20 30 GFEDHN CCOc1cc(Br)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884163721 663066280 /nfs/dbraw/zinc/06/62/80/663066280.db2.gz OCZGGAJJDILJBY-VMBJYNEYSA-N 0 3 378.270 2.926 20 30 GFEDHN CN(Cc1ccc(F)cc1Br)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884334198 663069073 /nfs/dbraw/zinc/06/90/73/663069073.db2.gz KABHQGPNGPGHTD-JZLYGMAVSA-N 0 3 380.261 2.686 20 30 GFEDHN C[C@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902979969 663770378 /nfs/dbraw/zinc/77/03/78/663770378.db2.gz WVYRMPMYQUZLHJ-ZDUSSCGKSA-N 0 3 378.885 2.626 20 30 GFEDHN O[C@H](CNC[C@@H](O)c1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)(F)F ZINC000905447528 663872002 /nfs/dbraw/zinc/87/20/02/663872002.db2.gz SCLAMHXLINCRLK-NXEZZACHSA-N 0 3 383.235 2.767 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](N)C[C@H](C)CC)nc1C ZINC000912214415 664276458 /nfs/dbraw/zinc/27/64/58/664276458.db2.gz MIPAKRCEOHWPPT-KOLCDFICSA-N 0 3 380.543 2.887 20 30 GFEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916931401 664474502 /nfs/dbraw/zinc/47/45/02/664474502.db2.gz KBPWZEASKBYZFD-WPRPVWTQSA-N 0 3 398.275 2.950 20 30 GFEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932557006 664828647 /nfs/dbraw/zinc/82/86/47/664828647.db2.gz ZBAFEXVCUCGMRW-UHFFFAOYSA-N 0 3 398.248 2.722 20 30 GFEDHN CCOCC[C@@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941158 664843500 /nfs/dbraw/zinc/84/35/00/664843500.db2.gz ATLSQSVTMMLTIL-BBBLOLIVSA-N 0 3 385.295 2.877 20 30 GFEDHN CC(C)(O)C[C@H](O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945401 664844282 /nfs/dbraw/zinc/84/42/82/664844282.db2.gz WOIQJLBQHOXHJX-XHNCKOQMSA-N 0 3 385.295 2.611 20 30 GFEDHN C#CCC1(NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCCCC1 ZINC000933266578 664853859 /nfs/dbraw/zinc/85/38/59/664853859.db2.gz YJBGVVREYMGBER-UHFFFAOYSA-N 0 3 382.913 2.998 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1I ZINC000380838637 677406055 /nfs/dbraw/zinc/40/60/55/677406055.db2.gz NHFKEIMBQHWGMO-UHFFFAOYSA-N 0 3 390.652 2.630 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)cc2C#N)c2c1CCNC2 ZINC001164681297 719632619 /nfs/dbraw/zinc/63/26/19/719632619.db2.gz GIPPNAWMHYBMGR-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN CC(C)c1ccc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869489 721055048 /nfs/dbraw/zinc/05/50/48/721055048.db2.gz SZTAODCFQQSGFQ-UXHICEINSA-N 0 3 377.492 2.951 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000170656418 551636849 /nfs/dbraw/zinc/63/68/49/551636849.db2.gz RJINSWAURKUMBY-UHFFFAOYSA-N 0 3 378.523 2.547 20 30 GFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000171724496 551662173 /nfs/dbraw/zinc/66/21/73/551662173.db2.gz JNFHHUHOZPJZDJ-GQCTYLIASA-N 0 3 386.233 2.664 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)nc1 ZINC000173309766 552082737 /nfs/dbraw/zinc/08/27/37/552082737.db2.gz UVNYWVZUYOHFQH-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246579088 553110344 /nfs/dbraw/zinc/11/03/44/553110344.db2.gz RYWMYIPGWNLJAT-GUYCJALGSA-N 0 3 379.913 2.849 20 30 GFEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)n(-c2cccc(Br)c2)n1 ZINC000424098865 563371066 /nfs/dbraw/zinc/37/10/66/563371066.db2.gz ULANLZZCOJZYNJ-CQSZACIVSA-N 0 3 376.258 2.903 20 30 GFEDHN C[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374651053 563378863 /nfs/dbraw/zinc/37/88/63/563378863.db2.gz ZGLIDCMSFWBUFG-YOEHRIQHSA-N 0 3 377.330 2.783 20 30 GFEDHN N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000301562593 563407602 /nfs/dbraw/zinc/40/76/02/563407602.db2.gz YJCKHPMJHBZDFR-INIZCTEOSA-N 0 3 376.507 2.516 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000287044075 563585058 /nfs/dbraw/zinc/58/50/58/563585058.db2.gz GJLIDUWBGQPCRX-LLVKDONJSA-N 0 3 398.282 2.889 20 30 GFEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000287498680 563604584 /nfs/dbraw/zinc/60/45/84/563604584.db2.gz TWXUENUAFGRLLO-UHFFFAOYSA-N 0 3 395.301 2.581 20 30 GFEDHN Cn1cc(Br)c(CNC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000449482262 564189118 /nfs/dbraw/zinc/18/91/18/564189118.db2.gz BARGJKKCCVKGAB-UHFFFAOYSA-N 0 3 388.313 2.808 20 30 GFEDHN CC(C)OCCN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000450031860 564214806 /nfs/dbraw/zinc/21/48/06/564214806.db2.gz JICBPMBAAURTQA-UHFFFAOYSA-N 0 3 394.313 2.940 20 30 GFEDHN CS[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1N(C)C ZINC000539477504 564220706 /nfs/dbraw/zinc/22/07/06/564220706.db2.gz HHCVCFBJWVSZHA-DLBZAZTESA-N 0 3 380.945 2.564 20 30 GFEDHN C[NH+](C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000487082410 564674303 /nfs/dbraw/zinc/67/43/03/564674303.db2.gz GXJNOPROXPADJS-STQMWFEESA-N 0 3 375.416 2.728 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000553760354 564735197 /nfs/dbraw/zinc/73/51/97/564735197.db2.gz BXELJWZKMAOYEO-UKRRQHHQSA-N 0 3 375.778 2.928 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530023265 564860336 /nfs/dbraw/zinc/86/03/36/564860336.db2.gz SIMMRBNLZQZMFA-CQSZACIVSA-N 0 3 392.297 2.833 20 30 GFEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593554574 565340391 /nfs/dbraw/zinc/34/03/91/565340391.db2.gz YZYJRSYTSJLFMG-MRXNPFEDSA-N 0 3 375.519 2.762 20 30 GFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562029 565341662 /nfs/dbraw/zinc/34/16/62/565341662.db2.gz QZPDXCQNJCYBKC-ZBFHGGJFSA-N 0 3 375.519 2.809 20 30 GFEDHN COc1ccc(I)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594431150 565385315 /nfs/dbraw/zinc/38/53/15/565385315.db2.gz IMYAXJKCHSEIQL-GFCCVEGCSA-N 0 3 387.221 2.650 20 30 GFEDHN N#Cc1cc(Br)cnc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436031 565523980 /nfs/dbraw/zinc/52/39/80/565523980.db2.gz HYJMHFMWMQTIRZ-UHFFFAOYSA-N 0 3 386.297 2.857 20 30 GFEDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1cccc(Br)c1C#N ZINC000597606226 565567405 /nfs/dbraw/zinc/56/74/05/565567405.db2.gz VKCGOCIJYUHVGF-CYBMUJFWSA-N 0 3 380.286 2.642 20 30 GFEDHN CN1CCCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000599414575 565676912 /nfs/dbraw/zinc/67/69/12/565676912.db2.gz GLINUMPMLZEVIM-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNC(=O)c1cccc(Br)c1 ZINC000602546596 565854334 /nfs/dbraw/zinc/85/43/34/565854334.db2.gz REQVPIVOIQJDAF-AWEZNQCLSA-N 0 3 394.313 2.867 20 30 GFEDHN N#Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ncc1Br ZINC000603319939 565898439 /nfs/dbraw/zinc/89/84/39/565898439.db2.gz QODJWFDCFKDWLN-HNNXBMFYSA-N 0 3 379.302 2.797 20 30 GFEDHN CN1CCN(CC2(C)CCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603337862 565899296 /nfs/dbraw/zinc/89/92/96/565899296.db2.gz NYTYIHYGNZKSEL-UHFFFAOYSA-N 0 3 392.345 2.570 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000735420250 598269527 /nfs/dbraw/zinc/26/95/27/598269527.db2.gz NPCKMDBHWOBIJY-GOSISDBHSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000735420250 598269529 /nfs/dbraw/zinc/26/95/29/598269529.db2.gz NPCKMDBHWOBIJY-GOSISDBHSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000735420250 598269531 /nfs/dbraw/zinc/26/95/31/598269531.db2.gz NPCKMDBHWOBIJY-GOSISDBHSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000735420250 598269533 /nfs/dbraw/zinc/26/95/33/598269533.db2.gz NPCKMDBHWOBIJY-GOSISDBHSA-N 0 3 397.527 2.685 20 30 GFEDHN N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384828 608462422 /nfs/dbraw/zinc/46/24/22/608462422.db2.gz LEHZFXPNLOOLKU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384828 608462424 /nfs/dbraw/zinc/46/24/24/608462424.db2.gz LEHZFXPNLOOLKU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN COC(=O)[C@@H]1CN(CCO[C@H](C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000823491992 660373492 /nfs/dbraw/zinc/37/34/92/660373492.db2.gz FDQXEJWBWPZFHO-UHOFOFEASA-N 0 3 381.270 2.566 20 30 GFEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@@]1=O ZINC000832026515 660747635 /nfs/dbraw/zinc/74/76/35/660747635.db2.gz VVVBXZIUIBBSFI-CANCMXDXSA-N 0 3 375.519 2.706 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000836385740 660903178 /nfs/dbraw/zinc/90/31/78/660903178.db2.gz JIUAWFRISDVHHD-PBHICJAKSA-N 0 3 396.329 2.779 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000838622744 661051094 /nfs/dbraw/zinc/05/10/94/661051094.db2.gz ZKKLFXBQXVUVSS-SJORKVTESA-N 0 3 384.307 2.548 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000838623776 661051182 /nfs/dbraw/zinc/05/11/82/661051182.db2.gz MHTBNIDWKBAPFK-INIZCTEOSA-N 0 3 394.313 2.869 20 30 GFEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000171566809 655152324 /nfs/dbraw/zinc/15/23/24/655152324.db2.gz DVQAKLXLVOIBGM-YPMHNXCESA-N 0 3 382.247 2.899 20 30 GFEDHN C#CCN1CCC(C(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000175842752 655228237 /nfs/dbraw/zinc/22/82/37/655228237.db2.gz XZECWIAOVGQOPB-UHFFFAOYSA-N 0 3 379.298 2.848 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(F)(F)F ZINC000177627042 655283655 /nfs/dbraw/zinc/28/36/55/655283655.db2.gz RXQJAZHMHBXUKP-UHFFFAOYSA-N 0 3 375.416 2.731 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000193610047 655411306 /nfs/dbraw/zinc/41/13/06/655411306.db2.gz ITACJIUPZLMGDU-JTQLQIEISA-N 0 3 383.882 2.539 20 30 GFEDHN CCN1CCN(C[C@@H](C)CNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000726480087 655535418 /nfs/dbraw/zinc/53/54/18/655535418.db2.gz FVPWSDXYIKYXBT-AWEZNQCLSA-N 0 3 379.961 2.772 20 30 GFEDHN C=CCN1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000730125614 655571930 /nfs/dbraw/zinc/57/19/30/655571930.db2.gz XKPCHJIYDKZERI-UHFFFAOYSA-N 0 3 396.285 2.992 20 30 GFEDHN C#CCOc1ccccc1CN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000840730681 661179990 /nfs/dbraw/zinc/17/99/90/661179990.db2.gz WJVNWXUYYHQMJR-AWEZNQCLSA-N 0 3 375.266 2.801 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000773914420 656477709 /nfs/dbraw/zinc/47/77/09/656477709.db2.gz UXYCAIGIPLBABC-KSSFIOAISA-N 0 3 393.325 2.987 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000786931456 657490822 /nfs/dbraw/zinc/49/08/22/657490822.db2.gz XYYMTJMARFEBLL-BHDSKKPTSA-N 0 3 382.247 2.932 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000852359917 661862195 /nfs/dbraw/zinc/86/21/95/661862195.db2.gz PITLAQDWBNDWLL-MRXNPFEDSA-N 0 3 396.354 2.991 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC1(c3cccc(Br)c3)CC1)C2 ZINC000884138337 663065819 /nfs/dbraw/zinc/06/58/19/663065819.db2.gz LEVZDVXJIVLEMF-SHBDPFAUSA-N 0 3 388.309 2.736 20 30 GFEDHN CSc1ccc(CNS(=O)(=O)c2ccc(CN(C)C)cc2)cc1C#N ZINC000885610114 663093322 /nfs/dbraw/zinc/09/33/22/663093322.db2.gz MWTZNCZKVVXZHT-UHFFFAOYSA-N 0 3 375.519 2.820 20 30 GFEDHN C[C@@H](NCCCNS(=O)(=O)c1ccccc1Cl)c1cc(C#N)ccn1 ZINC000902979968 663770422 /nfs/dbraw/zinc/77/04/22/663770422.db2.gz WVYRMPMYQUZLHJ-CYBMUJFWSA-N 0 3 378.885 2.626 20 30 GFEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916931400 664474585 /nfs/dbraw/zinc/47/45/85/664474585.db2.gz KBPWZEASKBYZFD-WCBMZHEXSA-N 0 3 398.275 2.950 20 30 GFEDHN COc1nc(N2CCN(CC3CCC(C#N)CC3)CC2)ncc1Br ZINC000929806437 664757981 /nfs/dbraw/zinc/75/79/81/664757981.db2.gz AKYVKLRKOQDSTK-UHFFFAOYSA-N 0 3 394.317 2.700 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1 ZINC000932144336 664811254 /nfs/dbraw/zinc/81/12/54/664811254.db2.gz PFPPDQNRPADHTN-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000133295622 677400710 /nfs/dbraw/zinc/40/07/10/677400710.db2.gz JZQYIDIAYGWIOD-LBPRGKRZSA-N 0 3 378.251 2.570 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(C#N)c2)c2c1CCNC2 ZINC001164681210 719623684 /nfs/dbraw/zinc/62/36/84/719623684.db2.gz DEUNOMPYZGXEIC-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN Cc1ccc(CC#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972672 722144905 /nfs/dbraw/zinc/14/49/05/722144905.db2.gz AGSXMRINPKJGFW-RTWAWAEBSA-N 0 3 377.492 2.578 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1I ZINC000451672040 564338536 /nfs/dbraw/zinc/33/85/36/564338536.db2.gz HBNCRYIHRRWWEU-KGLIPLIRSA-N 0 3 386.233 2.553 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2ccc(Br)s2)c1 ZINC000318678298 563443673 /nfs/dbraw/zinc/44/36/73/563443673.db2.gz XDALOCAJEFDDPU-UHFFFAOYSA-N 0 3 399.335 2.988 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(c3ccc(C#N)cc3Br)C2)CC1 ZINC000372384755 563303932 /nfs/dbraw/zinc/30/39/32/563303932.db2.gz SCEPAGLAEUVOJV-MRXNPFEDSA-N 0 3 377.330 2.785 20 30 GFEDHN CC(C)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000378483326 563508571 /nfs/dbraw/zinc/50/85/71/563508571.db2.gz INQHRXQDKDCFJT-SFHVURJKSA-N 0 3 391.357 2.921 20 30 GFEDHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394998 563553826 /nfs/dbraw/zinc/55/38/26/563553826.db2.gz LMIXHVOBVVCMJS-KGLIPLIRSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000286628328 563568768 /nfs/dbraw/zinc/56/87/68/563568768.db2.gz IJSZIKYIPHDANA-MLGOLLRUSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000286890602 563578838 /nfs/dbraw/zinc/57/88/38/563578838.db2.gz ZZDDEFUIXUBYKS-BLLLJJGKSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(C)C[NH+](C)C ZINC000416423544 563827191 /nfs/dbraw/zinc/82/71/91/563827191.db2.gz VLAKQYVOCXYZEK-LLVKDONJSA-N 0 3 388.331 2.575 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000367851618 563857427 /nfs/dbraw/zinc/85/74/27/563857427.db2.gz YUPQSVLBSTYFNN-MRXNPFEDSA-N 0 3 391.357 2.780 20 30 GFEDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000566593051 564333626 /nfs/dbraw/zinc/33/36/26/564333626.db2.gz VDHAPNXIVVZTSW-HUUCEWRRSA-N 0 3 375.416 2.527 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000567709979 564384324 /nfs/dbraw/zinc/38/43/24/564384324.db2.gz FAVIOBJERHIPGM-IRXDYDNUSA-N 0 3 384.293 2.835 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000479826220 564452166 /nfs/dbraw/zinc/45/21/66/564452166.db2.gz BBXLMKFVXFWDPC-GFCCVEGCSA-N 0 3 391.942 2.898 20 30 GFEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000558479941 564903704 /nfs/dbraw/zinc/90/37/04/564903704.db2.gz XQPZAXJUSZLZAR-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1ccc(OCC(=O)N2CC[C@H](N3CCCCC3)C2)cc1Br ZINC000562662985 565038271 /nfs/dbraw/zinc/03/82/71/565038271.db2.gz FILSFZNKXLILFC-HNNXBMFYSA-N 0 3 392.297 2.786 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668370190 565644250 /nfs/dbraw/zinc/64/42/50/565644250.db2.gz PVJVYNFXNSNREX-UHFFFAOYSA-N 0 3 395.297 2.991 20 30 GFEDHN C#CCN(C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000818588661 660229152 /nfs/dbraw/zinc/22/91/52/660229152.db2.gz AFBYQJBQKRKOBS-LBPRGKRZSA-N 0 3 387.705 2.941 20 30 GFEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@]1=O ZINC000832026499 660747483 /nfs/dbraw/zinc/74/74/83/660747483.db2.gz VVVBXZIUIBBSFI-ZJWNCGCPSA-N 0 3 375.519 2.706 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000129655319 654870359 /nfs/dbraw/zinc/87/03/59/654870359.db2.gz LCPZZHAQVILCIX-IUODEOHRSA-N 0 3 381.270 2.804 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccnc1Br ZINC000135080029 655009044 /nfs/dbraw/zinc/00/90/44/655009044.db2.gz VILUTAXRCJSGBE-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C=C(Br)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000154764786 655078202 /nfs/dbraw/zinc/07/82/02/655078202.db2.gz ZPRHNELGFRMGFV-KRWDZBQOSA-N 0 3 379.346 2.824 20 30 GFEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000171566801 655152351 /nfs/dbraw/zinc/15/23/51/655152351.db2.gz DVQAKLXLVOIBGM-DGCLKSJQSA-N 0 3 382.247 2.899 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1ccc(Br)cc1F ZINC000120373096 655335462 /nfs/dbraw/zinc/33/54/62/655335462.db2.gz CMODIVZFZVZSJU-AWEZNQCLSA-N 0 3 399.260 2.772 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000193427337 655410292 /nfs/dbraw/zinc/41/02/92/655410292.db2.gz GYWUYXVMGKWTTF-MWLCHTKSSA-N 0 3 375.277 2.945 20 30 GFEDHN N#Cc1cnn2cc(CN[C@H]3CCN(c4ccccc4Br)C3)cnc12 ZINC000580197488 655509963 /nfs/dbraw/zinc/50/99/63/655509963.db2.gz NGAWZLGSRRFMFL-HNNXBMFYSA-N 0 3 397.280 2.732 20 30 GFEDHN COC(=O)CCCN1CCC(=NNCc2ccc(Br)cc2)CC1 ZINC000727061350 655541082 /nfs/dbraw/zinc/54/10/82/655541082.db2.gz GYMWKDCZWJKKIS-UHFFFAOYSA-N 0 3 382.302 2.944 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC000842689968 661349557 /nfs/dbraw/zinc/34/95/57/661349557.db2.gz LVCLXFUIEMMOAZ-FZMZJTMJSA-N 0 3 379.254 2.891 20 30 GFEDHN CN1CCN(C2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000865267283 662408651 /nfs/dbraw/zinc/40/86/51/662408651.db2.gz KBLNLHXIHNUIML-UHFFFAOYSA-N 0 3 377.945 2.620 20 30 GFEDHN COCCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000870142517 662676014 /nfs/dbraw/zinc/67/60/14/662676014.db2.gz LDNGJAXFFAOTHG-LBPRGKRZSA-N 0 3 381.219 2.797 20 30 GFEDHN Cc1ccc(Br)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1C#N ZINC000872489941 662772504 /nfs/dbraw/zinc/77/25/04/662772504.db2.gz UHNCPKPQEPATHV-INIZCTEOSA-N 0 3 391.313 2.548 20 30 GFEDHN Cc1ccc(Br)c(N2CCC(N3CCN(C)CC3)CC2)c1C#N ZINC000872626284 662781219 /nfs/dbraw/zinc/78/12/19/662781219.db2.gz NKJRLVPOBBHNRA-UHFFFAOYSA-N 0 3 377.330 2.845 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)ccc1I ZINC000876626492 662863608 /nfs/dbraw/zinc/86/36/08/662863608.db2.gz AMINTRLAILQSNJ-SNVBAGLBSA-N 0 3 380.613 2.708 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(OC)c(OC)cc1Br ZINC000876642681 662864133 /nfs/dbraw/zinc/86/41/33/662864133.db2.gz JHPWXJVXWWCTLA-NSHDSACASA-N 0 3 377.666 2.552 20 30 GFEDHN C=CCC[C@@H](NCCS(=O)(=O)CC(F)(F)F)[C@H]1Cc2ccccc2O1 ZINC000883234476 663051736 /nfs/dbraw/zinc/05/17/36/663051736.db2.gz GQNOHBBPXGCLQJ-GDBMZVCRSA-N 0 3 377.428 2.892 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCC1(c3ccccc3Br)CC1)C2 ZINC000884151930 663066135 /nfs/dbraw/zinc/06/61/35/663066135.db2.gz XXEKTGYPTKHPMF-BIWSTMPVSA-N 0 3 388.309 2.736 20 30 GFEDHN C#CCN(C(=O)c1cccc(C)c1I)C1CCN(C)CC1 ZINC000886583469 663114367 /nfs/dbraw/zinc/11/43/67/663114367.db2.gz RCVTXJLWFHMKGE-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907186931 664010085 /nfs/dbraw/zinc/01/00/85/664010085.db2.gz OIEYFFBWGNNMTO-GXTWGEPZSA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1ccc(Br)cc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000916220178 664454511 /nfs/dbraw/zinc/45/45/11/664454511.db2.gz VVGYEXDWSNCOMZ-HNNXBMFYSA-N 0 3 385.283 2.515 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cnc(Cl)s1 ZINC000923697368 664636215 /nfs/dbraw/zinc/63/62/15/664636215.db2.gz NTENVVSRIYEIPK-UHFFFAOYSA-N 0 3 377.901 2.942 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(Br)c3nccnc3c2)CC1 ZINC000932141021 664810925 /nfs/dbraw/zinc/81/09/25/664810925.db2.gz NBRJZTWHKWSSCF-UHFFFAOYSA-N 0 3 375.270 2.773 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164871499 721140692 /nfs/dbraw/zinc/14/06/92/721140692.db2.gz FCAGVHPOTIKKKD-LEWJYISDSA-N 0 3 389.503 2.707 20 30 GFEDHN N#Cc1cnc2cc[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c1-2 ZINC001164983350 722135536 /nfs/dbraw/zinc/13/55/36/722135536.db2.gz UNHMSIBMRQNQNQ-YLJYHZDGSA-N 0 3 388.475 2.557 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000119445019 551216191 /nfs/dbraw/zinc/21/61/91/551216191.db2.gz HJKGTMCQEWORDH-UHFFFAOYSA-N 0 3 398.276 2.683 20 30 GFEDHN C[C@@H](C[S@@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185119534 552354721 /nfs/dbraw/zinc/35/47/21/552354721.db2.gz UBQCBJCACAXHBE-ZJWNCGCPSA-N 0 3 381.567 2.916 20 30 GFEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000185321850 552360964 /nfs/dbraw/zinc/36/09/64/552360964.db2.gz VSNIRNSATUGKHX-RHSMWYFYSA-N 0 3 379.913 2.849 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncc(Br)s1 ZINC000192414346 552562110 /nfs/dbraw/zinc/56/21/10/552562110.db2.gz XTJVXXAPKYCBAR-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)CNC[C@H]1CCCO1 ZINC000237723167 553081124 /nfs/dbraw/zinc/08/11/24/553081124.db2.gz JOKDQAXUUKDFIL-OAHLLOKOSA-N 0 3 385.277 2.871 20 30 GFEDHN CC[C@@H](CSC)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245949565 553099812 /nfs/dbraw/zinc/09/98/12/553099812.db2.gz WGWDQMKRAXXGLL-JKSUJKDBSA-N 0 3 380.583 2.530 20 30 GFEDHN C=CCN1CCC(NC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000370875343 563258861 /nfs/dbraw/zinc/25/88/61/563258861.db2.gz FGMACVWXKWIRIA-UHFFFAOYSA-N 0 3 396.333 2.643 20 30 GFEDHN CN(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(Cl)cc1 ZINC000301464775 563404680 /nfs/dbraw/zinc/40/46/80/563404680.db2.gz GSZQHJVGUCZBLS-QGZVFWFLSA-N 0 3 378.885 2.574 20 30 GFEDHN CCN1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC000328871864 563467504 /nfs/dbraw/zinc/46/75/04/563467504.db2.gz DPHGLPOGEMGFHM-ZDUSSCGKSA-N 0 3 396.285 2.615 20 30 GFEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000328936127 563469039 /nfs/dbraw/zinc/46/90/39/563469039.db2.gz COKRGJSLPBLNTL-CABCVRRESA-N 0 3 385.555 2.732 20 30 GFEDHN C[C@H]1C[C@H](NC(=O)N(C)CC2CCN(C)CC2)c2ccsc2S1(=O)=O ZINC000329638689 563484363 /nfs/dbraw/zinc/48/43/63/563484363.db2.gz WERQCHCIBOMJJY-WFASDCNBSA-N 0 3 385.555 2.543 20 30 GFEDHN CN1CCC(O)(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000331106042 563535710 /nfs/dbraw/zinc/53/57/10/563535710.db2.gz GFTAMBVHRKPZLB-CYBMUJFWSA-N 0 3 379.810 2.904 20 30 GFEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568353 563635859 /nfs/dbraw/zinc/63/58/59/563635859.db2.gz PHWLDDLALUHXQE-BBRMVZONSA-N 0 3 392.297 2.642 20 30 GFEDHN C#CCN(C(=O)/C=C/CN(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000364804640 563764684 /nfs/dbraw/zinc/76/46/84/563764684.db2.gz JZMGGGUBBJLRSN-JFDDCEBESA-N 0 3 377.282 2.852 20 30 GFEDHN C#CCN1CCC(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000294027960 563830011 /nfs/dbraw/zinc/83/00/11/563830011.db2.gz JVUWGVNIHRNRPN-UHFFFAOYSA-N 0 3 382.291 2.783 20 30 GFEDHN CN1CCC[C@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000416554650 563847506 /nfs/dbraw/zinc/84/75/06/563847506.db2.gz JYDONQCRXSTQHE-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN CN1CCN([C@@H]2CCCCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000367868461 563858117 /nfs/dbraw/zinc/85/81/17/563858117.db2.gz UOKZVKICJBUZAJ-LJQANCHMSA-N 0 3 391.357 2.923 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)n1C ZINC000448815994 563901648 /nfs/dbraw/zinc/90/16/48/563901648.db2.gz KTADGLJZVGDFCL-UHFFFAOYSA-N 0 3 389.297 2.863 20 30 GFEDHN C[C@@H]1CCCCN1CCNC(=O)COc1cccc(Br)c1C#N ZINC000449636211 564193678 /nfs/dbraw/zinc/19/36/78/564193678.db2.gz ZMUZELRJXNSVLX-CYBMUJFWSA-N 0 3 380.286 2.690 20 30 GFEDHN CC(C)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449833096 564204580 /nfs/dbraw/zinc/20/45/80/564204580.db2.gz DZRBXARWEPRWGS-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN CCN1CCC(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000519620375 564584657 /nfs/dbraw/zinc/58/46/57/564584657.db2.gz DYUDOPPHZNTMQY-UHFFFAOYSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000459683686 564756819 /nfs/dbraw/zinc/75/68/19/564756819.db2.gz CTDOYAPDJKDESB-CQSZACIVSA-N 0 3 398.301 2.856 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000556061139 564811333 /nfs/dbraw/zinc/81/13/33/564811333.db2.gz RCFNMWVGMPGFRM-MRXNPFEDSA-N 0 3 379.229 2.989 20 30 GFEDHN CCC(C#N)C(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000593560668 565341826 /nfs/dbraw/zinc/34/18/26/565341826.db2.gz WDDQHNANGAXBKR-HZMBPMFUSA-N 0 3 392.253 2.680 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198182 565378391 /nfs/dbraw/zinc/37/83/91/565378391.db2.gz SUVMHRJCHAQDSM-IAGOWNOFSA-N 0 3 376.298 2.996 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195189 565378860 /nfs/dbraw/zinc/37/88/60/565378860.db2.gz CXZUZXGJIIJHLT-HOTGVXAUSA-N 0 3 392.297 2.833 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)c[nH]c1=O)C(C)C ZINC000621534931 565428910 /nfs/dbraw/zinc/42/89/10/565428910.db2.gz UBZSQGUGOKHBBP-HNNXBMFYSA-N 0 3 382.302 2.978 20 30 GFEDHN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@H](N)CCCC#N ZINC000595962446 565502094 /nfs/dbraw/zinc/50/20/94/565502094.db2.gz AMUVVLFOKRCDLO-WQVCFCJDSA-N 0 3 380.286 2.759 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H](C(N)=O)C2)cc1OCC ZINC000623664208 565524774 /nfs/dbraw/zinc/52/47/74/565524774.db2.gz WNYGSIWZRGZLFG-JOCQHMNTSA-N 0 3 383.286 2.766 20 30 GFEDHN Cc1cc(N2CC[C@@H](NC[C@H](O)CC(C)(C)C#N)C2=O)ccc1Br ZINC000598725794 565637285 /nfs/dbraw/zinc/63/72/85/565637285.db2.gz ZYDIEBHTYSECPE-GDBMZVCRSA-N 0 3 394.313 2.753 20 30 GFEDHN CCC(C#N)C(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600358305 565725572 /nfs/dbraw/zinc/72/55/72/565725572.db2.gz WIRQKNKCZBBRON-PIGZYNQJSA-N 0 3 379.254 2.516 20 30 GFEDHN COc1ccc(CNC[C@H](O)CC2(C#N)CCOCC2)cc1Br ZINC000600723994 565746653 /nfs/dbraw/zinc/74/66/53/565746653.db2.gz RLRWCGBPZNXMIN-CQSZACIVSA-N 0 3 383.286 2.619 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNCCNc1ncc(Cl)cc1Cl ZINC000600716328 565747123 /nfs/dbraw/zinc/74/71/23/565747123.db2.gz JWTPLHMRWWINJQ-AWEZNQCLSA-N 0 3 381.263 2.701 20 30 GFEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCN(c2ccncc2)CC1 ZINC000601515776 565788966 /nfs/dbraw/zinc/78/89/66/565788966.db2.gz BMTMIJDYSRGBGJ-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306980 565802174 /nfs/dbraw/zinc/80/21/74/565802174.db2.gz HOXGAKKELAQUOE-CQSZACIVSA-N 0 3 381.929 2.517 20 30 GFEDHN N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385027 608462349 /nfs/dbraw/zinc/46/23/49/608462349.db2.gz UNBARTVGNMEGQU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385027 608462350 /nfs/dbraw/zinc/46/23/50/608462350.db2.gz UNBARTVGNMEGQU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385027 608462351 /nfs/dbraw/zinc/46/23/51/608462351.db2.gz UNBARTVGNMEGQU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN N#Cc1ccc(C2=CC[N@@H+](CCC(=O)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385027 608462352 /nfs/dbraw/zinc/46/23/52/608462352.db2.gz UNBARTVGNMEGQU-UHFFFAOYSA-N 0 3 399.458 2.856 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000826656436 660460232 /nfs/dbraw/zinc/46/02/32/660460232.db2.gz OYTKMZNQOCNVEU-LBPRGKRZSA-N 0 3 380.124 2.649 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](COC)c2cccc(Br)c2)CC1 ZINC000828112404 660533851 /nfs/dbraw/zinc/53/38/51/660533851.db2.gz KYHZFDFYXQIGLW-KRWDZBQOSA-N 0 3 379.298 2.598 20 30 GFEDHN C=C(Cl)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000835140125 660842058 /nfs/dbraw/zinc/84/20/58/660842058.db2.gz RGHNXDQKWZQDKI-UHFFFAOYSA-N 0 3 386.279 2.620 20 30 GFEDHN C#CCN(C)CCCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000836491147 660910457 /nfs/dbraw/zinc/91/04/57/660910457.db2.gz IJVAUWVOFVUCLK-UHFFFAOYSA-N 0 3 391.313 2.727 20 30 GFEDHN CCN(CCC#N)C(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000055055666 654768297 /nfs/dbraw/zinc/76/82/97/654768297.db2.gz VOSOUOKILPYXPL-UHFFFAOYSA-N 0 3 394.313 2.807 20 30 GFEDHN N#CC(C(=O)CCCOc1cccc(Br)c1)C(=O)N1CCCC1 ZINC000124690032 654780274 /nfs/dbraw/zinc/78/02/74/654780274.db2.gz QLSWZQGTRACWIH-HNNXBMFYSA-N 0 3 379.254 2.939 20 30 GFEDHN COCC(=O)N(C)CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000136727403 655034639 /nfs/dbraw/zinc/03/46/39/655034639.db2.gz PRZJYZFUTCEQJF-CYBMUJFWSA-N 0 3 377.853 2.745 20 30 GFEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173999036 655189229 /nfs/dbraw/zinc/18/92/29/655189229.db2.gz GBNGOGPILDRWBG-CQSZACIVSA-N 0 3 379.254 2.768 20 30 GFEDHN C#CCOc1ccccc1CN[C@H](C)Cn1cc(Br)ccc1=O ZINC000840730683 661180126 /nfs/dbraw/zinc/18/01/26/661180126.db2.gz WJVNWXUYYHQMJR-CQSZACIVSA-N 0 3 375.266 2.801 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCN(C(=O)OCC)C1 ZINC000769938151 656301751 /nfs/dbraw/zinc/30/17/51/656301751.db2.gz CJWIJGGERYCOPJ-OAHLLOKOSA-N 0 3 381.270 2.782 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000876555322 662862753 /nfs/dbraw/zinc/86/27/53/662862753.db2.gz UAKPOPBVPMDDAG-NSHDSACASA-N 0 3 377.794 2.751 20 30 GFEDHN C=CCC[C@H](NCCS(=O)(=O)CC(F)(F)F)[C@H]1Cc2ccccc2O1 ZINC000883234477 663051855 /nfs/dbraw/zinc/05/18/55/663051855.db2.gz GQNOHBBPXGCLQJ-GOEBONIOSA-N 0 3 377.428 2.892 20 30 GFEDHN Cc1cc(I)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884045212 663064115 /nfs/dbraw/zinc/06/41/15/663064115.db2.gz MHOYXZCBNXWBRC-BGMSHATGSA-N 0 3 395.244 2.678 20 30 GFEDHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884094042 663064977 /nfs/dbraw/zinc/06/49/77/663064977.db2.gz ZPIUOFRSIKJGAX-JHSBQLIOSA-N 0 3 376.298 2.636 20 30 GFEDHN CO[C@@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054922 663588748 /nfs/dbraw/zinc/58/87/48/663588748.db2.gz LOTAVDOCEVQSQY-KXUCPTDWSA-N 0 3 383.279 2.895 20 30 GFEDHN C#CCN(C(=O)NCCc1sccc1Br)C1CCN(C)CC1 ZINC000924005991 664644170 /nfs/dbraw/zinc/64/41/70/664644170.db2.gz HTMKEKAMBJXIGT-UHFFFAOYSA-N 0 3 384.343 2.792 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCC2 ZINC001164909220 721553689 /nfs/dbraw/zinc/55/36/89/721553689.db2.gz SZXWWLIBRSCZLU-UYAOXDASSA-N 0 3 378.451 2.923 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)[nH]1 ZINC000162298532 551606623 /nfs/dbraw/zinc/60/66/23/551606623.db2.gz KXDXXZMVBXRIFQ-UHFFFAOYSA-N 0 3 375.270 2.853 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(I)c2)CC1 ZINC000171715178 551661825 /nfs/dbraw/zinc/66/18/25/551661825.db2.gz NEJPMERNAXMWKH-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000171715992 551662067 /nfs/dbraw/zinc/66/20/67/551662067.db2.gz SJLUJYSVFHCNFB-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000176301509 552137489 /nfs/dbraw/zinc/13/74/89/552137489.db2.gz SCBXKVIFKTVGCR-UHFFFAOYSA-N 0 3 382.258 2.666 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000178232926 552167498 /nfs/dbraw/zinc/16/74/98/552167498.db2.gz UVPVVQWNMHFUNS-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000180058902 552211487 /nfs/dbraw/zinc/21/14/87/552211487.db2.gz SQNUKQMEDMMAKR-AWEZNQCLSA-N 0 3 375.519 2.790 20 30 GFEDHN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424164906 563372583 /nfs/dbraw/zinc/37/25/83/563372583.db2.gz ALOPSERNKUGYON-OAHLLOKOSA-N 0 3 386.279 2.559 20 30 GFEDHN CCCN1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329213977 563475522 /nfs/dbraw/zinc/47/55/22/563475522.db2.gz KKLMLEBTGXHMQX-AWEZNQCLSA-N 0 3 385.555 2.712 20 30 GFEDHN Cc1nc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c(Br)s1 ZINC000331357997 563547400 /nfs/dbraw/zinc/54/74/00/563547400.db2.gz UPLGDMGLJONKEZ-LLVKDONJSA-N 0 3 376.320 2.611 20 30 GFEDHN C#CCN(C)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000294057249 563830969 /nfs/dbraw/zinc/83/09/69/563830969.db2.gz USUGUTLZJPSUMV-UHFFFAOYSA-N 0 3 378.885 2.553 20 30 GFEDHN Cn1cc(CNC[C@H](CO)Cc2cc(Br)ccc2F)cc1C#N ZINC000449599986 564190872 /nfs/dbraw/zinc/19/08/72/564190872.db2.gz MXVVQKSWTKPTLR-CYBMUJFWSA-N 0 3 380.261 2.739 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449844261 564205457 /nfs/dbraw/zinc/20/54/57/564205457.db2.gz KRIDFNLLUNDLHK-UHFFFAOYSA-N 0 3 392.297 2.856 20 30 GFEDHN CC(C)N1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000450097405 564216545 /nfs/dbraw/zinc/21/65/45/564216545.db2.gz OMEKDJVATZBLOW-LRDDRELGSA-N 0 3 380.286 2.544 20 30 GFEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097404 564216730 /nfs/dbraw/zinc/21/67/30/564216730.db2.gz OMEKDJVATZBLOW-BLLLJJGKSA-N 0 3 380.286 2.544 20 30 GFEDHN N#Cc1cc(Br)cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000450394644 564230603 /nfs/dbraw/zinc/23/06/03/564230603.db2.gz SMFOXZRJUUZWQZ-MRXNPFEDSA-N 0 3 379.302 2.797 20 30 GFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450486712 564234852 /nfs/dbraw/zinc/23/48/52/564234852.db2.gz SSWSYFODOCEYMD-CYBMUJFWSA-N 0 3 394.313 2.888 20 30 GFEDHN O=C(CC(F)(F)F)NC[C@H]1CCCN(CCOCC(F)(F)C(F)F)C1 ZINC000510905459 564350122 /nfs/dbraw/zinc/35/01/22/564350122.db2.gz QAZFBOXTBQVLKG-SNVBAGLBSA-N 0 3 382.320 2.684 20 30 GFEDHN CC(C)(CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000567144430 564359401 /nfs/dbraw/zinc/35/94/01/564359401.db2.gz NTIVCMGTVYNZMM-UHFFFAOYSA-N 0 3 377.897 2.948 20 30 GFEDHN CSC1(CNC(=O)c2ccc(Br)cc2C#N)CCN(C)CC1 ZINC000452153802 564396813 /nfs/dbraw/zinc/39/68/13/564396813.db2.gz QLFVDTRBPAYIFK-UHFFFAOYSA-N 0 3 382.327 2.878 20 30 GFEDHN COc1cc(I)c(Cl)cc1CNC(=O)C(C)C#N ZINC000482621645 564546237 /nfs/dbraw/zinc/54/62/37/564546237.db2.gz YLRSWPXVQOQHOM-ZETCQYMHSA-N 0 3 378.597 2.729 20 30 GFEDHN COc1cc(I)c(Cl)cc1CNC(=O)C(C)C#N ZINC000482621644 564546278 /nfs/dbraw/zinc/54/62/78/564546278.db2.gz YLRSWPXVQOQHOM-SSDOTTSWSA-N 0 3 378.597 2.729 20 30 GFEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000522376439 564651092 /nfs/dbraw/zinc/65/10/92/564651092.db2.gz WQICUGACNDVGFT-CYBMUJFWSA-N 0 3 375.416 2.539 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1N(C)C ZINC000487899088 564699303 /nfs/dbraw/zinc/69/93/03/564699303.db2.gz QTNVXJRYKMCXAZ-KGLIPLIRSA-N 0 3 383.315 2.830 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@H](c3ccccc3Cl)C2)nc1 ZINC000582057750 564829705 /nfs/dbraw/zinc/82/97/05/564829705.db2.gz DGHKBXZJKAAYKP-SHTZXODSSA-N 0 3 375.881 2.916 20 30 GFEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000589307948 565159822 /nfs/dbraw/zinc/15/98/22/565159822.db2.gz XQPZAXJUSZLZAR-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000593459461 565332204 /nfs/dbraw/zinc/33/22/04/565332204.db2.gz PNELJOHOAMNKDV-QGZVFWFLSA-N 0 3 376.298 2.950 20 30 GFEDHN CCC(C#N)C(=O)N(C)[C@H](C(=O)OC)c1cc(OC)ccc1Br ZINC000593740984 565359871 /nfs/dbraw/zinc/35/98/71/565359871.db2.gz YOXPFYJVWFXRBF-YGRLFVJLSA-N 0 3 383.242 2.680 20 30 GFEDHN CN(CCN1CCCCC1)C(=O)COc1cccc(Br)c1C#N ZINC000593881904 565366083 /nfs/dbraw/zinc/36/60/83/565366083.db2.gz FFQQPNLTFNPWNX-UHFFFAOYSA-N 0 3 380.286 2.644 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000594431032 565384377 /nfs/dbraw/zinc/38/43/77/565384377.db2.gz GAXYYXAKXCQYRA-HZPDHXFCSA-N 0 3 380.286 2.760 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594439698 565385705 /nfs/dbraw/zinc/38/57/05/565385705.db2.gz YQYKZMQSYKHPFG-GDBMZVCRSA-N 0 3 379.302 2.555 20 30 GFEDHN CN(CCNCc1ccc(C(C)(C)C#N)cc1)S(=O)(=O)c1cccs1 ZINC000594504880 565396624 /nfs/dbraw/zinc/39/66/24/565396624.db2.gz NEYIMMJJNRIVCY-UHFFFAOYSA-N 0 3 377.535 2.960 20 30 GFEDHN CC(C)[N@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1 ZINC000820117249 599636193 /nfs/dbraw/zinc/63/61/93/599636193.db2.gz XDVWFAXSNKGGGV-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1 ZINC000820117249 599636194 /nfs/dbraw/zinc/63/61/94/599636194.db2.gz XDVWFAXSNKGGGV-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000820117249 599636195 /nfs/dbraw/zinc/63/61/95/599636195.db2.gz XDVWFAXSNKGGGV-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN CC(C)[N@@H+](CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000820117249 599636196 /nfs/dbraw/zinc/63/61/96/599636196.db2.gz XDVWFAXSNKGGGV-UHFFFAOYSA-N 0 3 389.463 2.978 20 30 GFEDHN COc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1-c1nnn[n-]1 ZINC000826203040 607569860 /nfs/dbraw/zinc/56/98/60/607569860.db2.gz XBGCYWPAGSEBJD-UHFFFAOYSA-N 0 3 378.436 2.848 20 30 GFEDHN C=CC[C@H](CO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823888274 608427519 /nfs/dbraw/zinc/42/75/19/608427519.db2.gz IOMBSHAKPKAVOA-KRWDZBQOSA-N 0 3 379.464 2.720 20 30 GFEDHN C=CC[C@H](CO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823888274 608427520 /nfs/dbraw/zinc/42/75/20/608427520.db2.gz IOMBSHAKPKAVOA-KRWDZBQOSA-N 0 3 379.464 2.720 20 30 GFEDHN C=CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894443 608537864 /nfs/dbraw/zinc/53/78/64/608537864.db2.gz QJDGNJLUJJZZQM-QUCCMNQESA-N 0 3 379.464 2.904 20 30 GFEDHN C#CCN(C)CCCNC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000818609471 660229947 /nfs/dbraw/zinc/22/99/47/660229947.db2.gz YYCHAJFIRSSLQC-UHFFFAOYSA-N 0 3 376.551 2.780 20 30 GFEDHN N#CC(C(=O)COc1cccc(Br)c1)C(=O)NCc1ccccc1 ZINC000126626427 654816734 /nfs/dbraw/zinc/81/67/34/654816734.db2.gz OJPRSSPGNIXCIU-MRXNPFEDSA-N 0 3 387.233 2.853 20 30 GFEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000171566799 655152362 /nfs/dbraw/zinc/15/23/62/655152362.db2.gz DVQAKLXLVOIBGM-WCQYABFASA-N 0 3 382.247 2.899 20 30 GFEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000730920923 655579377 /nfs/dbraw/zinc/57/93/77/655579377.db2.gz RFEJQCYLUVAAHG-JTQLQIEISA-N 0 3 389.260 2.937 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1cc2n(n1)CCCO2 ZINC000763928139 656096734 /nfs/dbraw/zinc/09/67/34/656096734.db2.gz AZSHFOIXWVGPCA-LBPRGKRZSA-N 0 3 379.203 2.934 20 30 GFEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)c(F)c1 ZINC000772984895 656396593 /nfs/dbraw/zinc/39/65/93/656396593.db2.gz PABBXOBGVIZYJK-GLTXTHCDSA-N 0 3 382.233 2.765 20 30 GFEDHN CS(=O)(=O)CCSc1cc(Br)ccc1CNCCCC#N ZINC000784621773 657319496 /nfs/dbraw/zinc/31/94/96/657319496.db2.gz NPVWGSLJRFFPQY-UHFFFAOYSA-N 0 3 391.356 2.979 20 30 GFEDHN CN(C)CCN1c2ccccc2C(=NNc2ccc(Br)nc2)C1=O ZINC000807971249 659872061 /nfs/dbraw/zinc/87/20/61/659872061.db2.gz OBAMTGNYXXGBAI-UHFFFAOYSA-N 0 3 388.269 2.569 20 30 GFEDHN COC[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000872236754 662758814 /nfs/dbraw/zinc/75/88/14/662758814.db2.gz WTBJSAPQFRASPX-DLBZAZTESA-N 0 3 397.313 2.798 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000876555321 662862723 /nfs/dbraw/zinc/86/27/23/662862723.db2.gz UAKPOPBVPMDDAG-LLVKDONJSA-N 0 3 377.794 2.751 20 30 GFEDHN N#Cc1cc(Br)ccc1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882815721 663042969 /nfs/dbraw/zinc/04/29/69/663042969.db2.gz ODPVQYTTYALIJA-UHFFFAOYSA-N 0 3 391.313 2.631 20 30 GFEDHN C=CCC[C@@H](NCCS(=O)(=O)CC(F)(F)F)[C@@H]1Cc2ccccc2O1 ZINC000883234479 663051783 /nfs/dbraw/zinc/05/17/83/663051783.db2.gz GQNOHBBPXGCLQJ-ZBFHGGJFSA-N 0 3 377.428 2.892 20 30 GFEDHN CC(C)(NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccc(Br)cc1 ZINC000884092705 663064950 /nfs/dbraw/zinc/06/49/50/663064950.db2.gz MQDHWXMHZAUIKA-HZEYSBKDSA-N 0 3 376.298 2.940 20 30 GFEDHN N#CC1(C[C@H](O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274269 663106587 /nfs/dbraw/zinc/10/65/87/663106587.db2.gz PTTHDNWODKYMON-GJZGRUSLSA-N 0 3 380.286 2.742 20 30 GFEDHN C#CCN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21)C1CCN(C)CC1 ZINC000886572741 663114165 /nfs/dbraw/zinc/11/41/65/663114165.db2.gz YOZZYFIMRPJAPJ-CEXWTWQISA-N 0 3 387.321 2.891 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@@](C)(CO)c2cccc(Br)c2)CC1 ZINC000892858024 663386976 /nfs/dbraw/zinc/38/69/76/663386976.db2.gz NARZPZRAMWRMES-SFHVURJKSA-N 0 3 396.329 2.606 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@](C)(CO)c2cccc(Br)c2)CC1 ZINC000892858022 663387072 /nfs/dbraw/zinc/38/70/72/663387072.db2.gz NARZPZRAMWRMES-GOSISDBHSA-N 0 3 396.329 2.606 20 30 GFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912015338 664266473 /nfs/dbraw/zinc/26/64/73/664266473.db2.gz WHTVFJGEZLVUGI-OAHLLOKOSA-N 0 3 385.917 2.747 20 30 GFEDHN C=CCCC[C@@H](N)C(=O)Nc1nc(C)c(C2N=NC(=S)N2CC=C)s1 ZINC000912214744 664276469 /nfs/dbraw/zinc/27/64/69/664276469.db2.gz NNKRISZTIOQIML-LLVKDONJSA-N 0 3 378.527 2.807 20 30 GFEDHN C#CCN(C(=O)NCCc1ccc(F)c(Br)c1)C1CCN(C)CC1 ZINC000914289256 664395307 /nfs/dbraw/zinc/39/53/07/664395307.db2.gz IDTLBNDHKXUSBK-UHFFFAOYSA-N 0 3 396.304 2.870 20 30 GFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000917137795 664477000 /nfs/dbraw/zinc/47/70/00/664477000.db2.gz XGVQXIBYIDBCKJ-HNNXBMFYSA-N 0 3 394.317 2.736 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922852194 664616483 /nfs/dbraw/zinc/61/64/83/664616483.db2.gz QHYYURNURADICB-MQVJKMGUSA-N 0 3 398.322 2.659 20 30 GFEDHN O[C@]1(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945304 664844027 /nfs/dbraw/zinc/84/40/27/664844027.db2.gz VIFKUDTXTGVJEJ-GUBZILKMSA-N 0 3 383.279 2.631 20 30 GFEDHN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866306 721050365 /nfs/dbraw/zinc/05/03/65/721050365.db2.gz DVHZAZQKHGBFFF-IAGOWNOFSA-N 0 3 383.883 2.790 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@H]3C2)cn1 ZINC001164762216 721129592 /nfs/dbraw/zinc/12/95/92/721129592.db2.gz CNYMDOZLUKUGPI-RTBURBONSA-N 0 3 376.508 2.719 20 30 GFEDHN N#Cc1cc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2[nH]1 ZINC001164984597 722137651 /nfs/dbraw/zinc/13/76/51/722137651.db2.gz XMWZYFJOQQWMHB-UTKZUKDTSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000186768690 552397234 /nfs/dbraw/zinc/39/72/34/552397234.db2.gz BJWLQADEKLMANM-UHFFFAOYSA-N 0 3 382.302 2.907 20 30 GFEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246041835 553101372 /nfs/dbraw/zinc/10/13/72/553101372.db2.gz BGONOIQETCNLNF-BXUZGUMPSA-N 0 3 375.416 2.538 20 30 GFEDHN C=CCN1CC[C@@H](NCC2(c3ccc(Br)cc3)CCOCC2)C1=O ZINC000280891530 563359404 /nfs/dbraw/zinc/35/94/04/563359404.db2.gz AXGUOQGMVDKKGQ-QGZVFWFLSA-N 0 3 393.325 2.874 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000424170192 563372094 /nfs/dbraw/zinc/37/20/94/563372094.db2.gz JNNPZURSNWODBC-WWGRRREGSA-N 0 3 397.313 2.643 20 30 GFEDHN C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374651051 563378534 /nfs/dbraw/zinc/37/85/34/563378534.db2.gz ZGLIDCMSFWBUFG-RHSMWYFYSA-N 0 3 377.330 2.783 20 30 GFEDHN CC(C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329561008 563482752 /nfs/dbraw/zinc/48/27/52/563482752.db2.gz JBQZQIFSGPJLAT-HBUWYVDXSA-N 0 3 375.531 2.503 20 30 GFEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330371202 563502950 /nfs/dbraw/zinc/50/29/50/563502950.db2.gz IAMHUDNVRDCFMI-GFCCVEGCSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000330968574 563529552 /nfs/dbraw/zinc/52/95/52/563529552.db2.gz ITBRNARXNYVEMF-GFCCVEGCSA-N 0 3 387.933 2.951 20 30 GFEDHN CN1CCC(O)(CNC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000331345569 563546360 /nfs/dbraw/zinc/54/63/60/563546360.db2.gz QNUJYUSKYSSPJR-UHFFFAOYSA-N 0 3 376.682 2.885 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000286372660 563558549 /nfs/dbraw/zinc/55/85/49/563558549.db2.gz CLNXSVPNCXQLDC-UHFFFAOYSA-N 0 3 384.307 2.718 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(C)C ZINC000409539056 563564312 /nfs/dbraw/zinc/56/43/12/563564312.db2.gz ZJXUDYXZSHVQQK-UHFFFAOYSA-N 0 3 377.432 2.974 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCSC[C@H]2CCO)sc2c1CCCC2 ZINC000333418170 563631532 /nfs/dbraw/zinc/63/15/32/563631532.db2.gz HPRIDLQOZMUMEP-CYBMUJFWSA-N 0 3 379.551 2.627 20 30 GFEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000365712158 563791626 /nfs/dbraw/zinc/79/16/26/563791626.db2.gz LGPNLERXXNFZHL-INIZCTEOSA-N 0 3 377.853 2.819 20 30 GFEDHN CC(C)(C#N)CCCCN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000444651776 563834590 /nfs/dbraw/zinc/83/45/90/563834590.db2.gz VQFQVZVYUATOGM-UHFFFAOYSA-N 0 3 383.480 2.995 20 30 GFEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1cc[nH]c(=O)c1Br)C(C)C ZINC000446040802 563857346 /nfs/dbraw/zinc/85/73/46/563857346.db2.gz DRRIQKGFBGJRNS-OAHLLOKOSA-N 0 3 396.329 2.907 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000538179854 564184868 /nfs/dbraw/zinc/18/48/68/564184868.db2.gz KMGABURDJFEBRB-INIZCTEOSA-N 0 3 380.286 2.892 20 30 GFEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450097406 564216216 /nfs/dbraw/zinc/21/62/16/564216216.db2.gz OMEKDJVATZBLOW-MLGOLLRUSA-N 0 3 380.286 2.544 20 30 GFEDHN CN(C)CCOc1ccc(CNc2ncc(Br)cc2C#N)cc1 ZINC000450263432 564223851 /nfs/dbraw/zinc/22/38/51/564223851.db2.gz WWDVNJXUIZVUPC-UHFFFAOYSA-N 0 3 375.270 2.690 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000565832327 564298020 /nfs/dbraw/zinc/29/80/20/564298020.db2.gz QVSXZELOEZAANA-KRWDZBQOSA-N 0 3 393.329 2.551 20 30 GFEDHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000566593050 564333373 /nfs/dbraw/zinc/33/33/73/564333373.db2.gz VDHAPNXIVVZTSW-GJZGRUSLSA-N 0 3 375.416 2.527 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2ccc(Br)cc2)cc1 ZINC000570625607 564514239 /nfs/dbraw/zinc/51/42/39/564514239.db2.gz BKKRJGKLFBNSPL-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000577147147 564726153 /nfs/dbraw/zinc/72/61/53/564726153.db2.gz CJQRGHLEMSKVIW-AWEZNQCLSA-N 0 3 391.317 2.895 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)S(=O)(=O)N3C)n1 ZINC000528906518 564809386 /nfs/dbraw/zinc/80/93/86/564809386.db2.gz FDTPXFAAMGFUDX-LBPRGKRZSA-N 0 3 375.475 2.956 20 30 GFEDHN N#Cc1cnn2cc(CN[C@H]3CCN(c4ccc(Br)cc4)C3)cnc12 ZINC000560335259 564957784 /nfs/dbraw/zinc/95/77/84/564957784.db2.gz ZKQAIMCDQKUEBP-INIZCTEOSA-N 0 3 397.280 2.732 20 30 GFEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC2(O)CCCC2)CC1 ZINC000501045744 564968634 /nfs/dbraw/zinc/96/86/34/564968634.db2.gz KCDAGGUFQPQNLK-QGZVFWFLSA-N 0 3 378.314 2.936 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ccncc2)CC1 ZINC000593392221 565328714 /nfs/dbraw/zinc/32/87/14/565328714.db2.gz QMHJKCXKCICIQU-UHFFFAOYSA-N 0 3 385.265 2.607 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195186 565378374 /nfs/dbraw/zinc/37/83/74/565378374.db2.gz CXZUZXGJIIJHLT-CVEARBPZSA-N 0 3 392.297 2.833 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000594446556 565385523 /nfs/dbraw/zinc/38/55/23/565385523.db2.gz VDGMZDLSYDLFCY-CQSZACIVSA-N 0 3 395.301 2.635 20 30 GFEDHN C[C@H](NC(=S)NN=C1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000819807655 660270416 /nfs/dbraw/zinc/27/04/16/660270416.db2.gz SWVRMUXTBLXHJX-NSHDSACASA-N 0 3 389.352 2.963 20 30 GFEDHN Cc1c(Br)c2ccccc2n1CC(=O)C(C#N)C(=O)NC(C)C ZINC000125599906 654799142 /nfs/dbraw/zinc/79/91/42/654799142.db2.gz NSCOLNUEOKXWOZ-ZDUSSCGKSA-N 0 3 376.254 2.946 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(Br)c1 ZINC000126951976 654822909 /nfs/dbraw/zinc/82/29/09/654822909.db2.gz JRLSGVMPGJMSRP-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C[C@H](C#N)Oc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127831807 654835452 /nfs/dbraw/zinc/83/54/52/654835452.db2.gz BYZTZYWTODTVMJ-GFCCVEGCSA-N 0 3 399.925 2.760 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCS[C@H]3COCC[C@@H]32)sc2c1CCC2 ZINC000135538605 655019815 /nfs/dbraw/zinc/01/98/15/655019815.db2.gz BQTALMXQDDCWIQ-HOCLYGCPSA-N 0 3 377.535 2.643 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000272858240 655123466 /nfs/dbraw/zinc/12/34/66/655123466.db2.gz MITKRTQFUMAOHX-GFCCVEGCSA-N 0 3 378.416 2.613 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000798818581 659147593 /nfs/dbraw/zinc/14/75/93/659147593.db2.gz YQRMVYHATYDBOS-CYBMUJFWSA-N 0 3 385.221 2.618 20 30 GFEDHN N#CCSCCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000805413672 659773819 /nfs/dbraw/zinc/77/38/19/659773819.db2.gz YWLFSNPACATDSB-LBPRGKRZSA-N 0 3 397.294 2.992 20 30 GFEDHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000810537252 659977153 /nfs/dbraw/zinc/97/71/53/659977153.db2.gz QNOCBLQQQITKRA-JTQLQIEISA-N 0 3 376.766 2.631 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000815860872 660133137 /nfs/dbraw/zinc/13/31/37/660133137.db2.gz FDBGZMZMTVGRKP-UHFFFAOYSA-N 0 3 381.929 2.850 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000876561534 662862835 /nfs/dbraw/zinc/86/28/35/662862835.db2.gz LDRXLBUHKFKSJI-QMMMGPOBSA-N 0 3 383.748 2.501 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCCCc1ccc(Br)cc1F)C2 ZINC000884141926 663065993 /nfs/dbraw/zinc/06/59/93/663065993.db2.gz MQILRJMVUDWWOO-FVRSWCFKSA-N 0 3 394.288 2.776 20 30 GFEDHN Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)CC3(CC#N)CC3)C2)s1 ZINC000907347475 664026968 /nfs/dbraw/zinc/02/69/68/664026968.db2.gz ROHMODQPFJENHK-MRXNPFEDSA-N 0 3 381.567 2.834 20 30 GFEDHN N#Cc1ccc(Br)c(COC(=O)C2CCCN(C3CC3)C2=O)c1 ZINC000924059817 664645813 /nfs/dbraw/zinc/64/58/13/664645813.db2.gz UUJCUFAHDIPMKP-AWEZNQCLSA-N 0 3 377.238 2.765 20 30 GFEDHN N#Cc1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977329 722111329 /nfs/dbraw/zinc/11/13/29/722111329.db2.gz MOAPSMWKGPGQSB-QFBILLFUSA-N 0 3 383.883 2.729 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 ZINC000041518870 551135718 /nfs/dbraw/zinc/13/57/18/551135718.db2.gz NLUWHDKKBDZNJO-FZMZJTMJSA-N 0 3 375.475 2.652 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000124164085 551311405 /nfs/dbraw/zinc/31/14/05/551311405.db2.gz QXVNJCPUXSVXAE-ZDUSSCGKSA-N 0 3 381.289 2.981 20 30 GFEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccccc1C#N ZINC000125960761 551324895 /nfs/dbraw/zinc/32/48/95/551324895.db2.gz WVXJEKXATGVIHN-UHFFFAOYSA-N 0 3 377.432 2.843 20 30 GFEDHN C=CCN(CC=C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000152742513 551438877 /nfs/dbraw/zinc/43/88/77/551438877.db2.gz ZNOOSJXSNCZGQX-UHFFFAOYSA-N 0 3 385.917 2.593 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cn1 ZINC000171402004 551654535 /nfs/dbraw/zinc/65/45/35/551654535.db2.gz MGNZGTSCJUUJJF-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177659689 552156283 /nfs/dbraw/zinc/15/62/83/552156283.db2.gz KJTRRMGIYGPXOL-GFCCVEGCSA-N 0 3 375.416 2.539 20 30 GFEDHN O=C(NCCN1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329061103 563471349 /nfs/dbraw/zinc/47/13/49/563471349.db2.gz ZHGGLAXPGRTRJC-HNNXBMFYSA-N 0 3 385.555 2.734 20 30 GFEDHN CC(C(=O)NCc1nc(C(F)(F)F)cs1)S(=O)(=O)C1CCOCC1 ZINC000330165165 563497896 /nfs/dbraw/zinc/49/78/96/563497896.db2.gz WRFMMUCOCAJUBM-QMMMGPOBSA-N 0 3 386.417 2.601 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000378430972 563506639 /nfs/dbraw/zinc/50/66/39/563506639.db2.gz VKPFBZQIXGQLDE-AEFFLSMTSA-N 0 3 380.282 2.889 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429283082 563513232 /nfs/dbraw/zinc/51/32/32/563513232.db2.gz FLNLEXVGALCRGC-HNNXBMFYSA-N 0 3 380.286 2.674 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)C[C@H]1N(C)C ZINC000330829394 563523143 /nfs/dbraw/zinc/52/31/43/563523143.db2.gz TUUMHAAZQZQCIJ-NEPJUHHUSA-N 0 3 378.420 2.546 20 30 GFEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564805 563636130 /nfs/dbraw/zinc/63/61/30/563636130.db2.gz OQWJLSMBVAOCFM-WMLDXEAASA-N 0 3 392.297 2.642 20 30 GFEDHN CC(C)N1CCN([C@H]2CCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000365192499 563776954 /nfs/dbraw/zinc/77/69/54/563776954.db2.gz XBKXCKHFYQSRTB-SFHVURJKSA-N 0 3 391.357 2.921 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)s1 ZINC000367187322 563835412 /nfs/dbraw/zinc/83/54/12/563835412.db2.gz OUZRMPXCTJATMZ-UHFFFAOYSA-N 0 3 381.548 2.872 20 30 GFEDHN COc1ccc(C[C@@H](CO)CNCc2ccc(C#N)o2)cc1Br ZINC000449599819 564190885 /nfs/dbraw/zinc/19/08/85/564190885.db2.gz MGIUCIRLNVVNHK-CYBMUJFWSA-N 0 3 379.254 2.863 20 30 GFEDHN CN(C)CCOc1ccccc1CNc1ncc(Br)cc1C#N ZINC000450288099 564226047 /nfs/dbraw/zinc/22/60/47/564226047.db2.gz LKRUEOMLKCMNKA-UHFFFAOYSA-N 0 3 375.270 2.690 20 30 GFEDHN N#CCc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)c(Cl)c1 ZINC000451274788 564293703 /nfs/dbraw/zinc/29/37/03/564293703.db2.gz XSCXAXNIZGGAQU-INIZCTEOSA-N 0 3 381.929 2.949 20 30 GFEDHN CC[C@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000566114412 564310866 /nfs/dbraw/zinc/31/08/66/564310866.db2.gz AFVYHGIPDHKCNJ-MRXNPFEDSA-N 0 3 375.519 2.887 20 30 GFEDHN Cc1ccc(SC[C@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000566131703 564311429 /nfs/dbraw/zinc/31/14/29/564311429.db2.gz ONICQBKFXCSJHZ-HNNXBMFYSA-N 0 3 375.519 2.806 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000567709978 564384584 /nfs/dbraw/zinc/38/45/84/564384584.db2.gz FAVIOBJERHIPGM-IAGOWNOFSA-N 0 3 384.293 2.835 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cccc(Cl)c2Cl)nc1 ZINC000515536464 564482157 /nfs/dbraw/zinc/48/21/57/564482157.db2.gz GAZFADRCBQSQLN-UHFFFAOYSA-N 0 3 384.288 2.866 20 30 GFEDHN CN(C)[C@@]1(CNC(=O)NCCSCc2ccccc2C#N)CCSC1 ZINC000481246400 564507720 /nfs/dbraw/zinc/50/77/20/564507720.db2.gz LYCDCZKRNOKEHF-GOSISDBHSA-N 0 3 378.567 2.528 20 30 GFEDHN O=C(NCC(F)(F)F)C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000574736507 564686542 /nfs/dbraw/zinc/68/65/42/564686542.db2.gz GHYRBXKXPIKRJB-UHFFFAOYSA-N 0 3 386.283 2.591 20 30 GFEDHN N#Cc1cc(Br)ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000553883823 564743363 /nfs/dbraw/zinc/74/33/63/564743363.db2.gz KERCLAHBOHMPKZ-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(CO)CCSCC1 ZINC000459707119 564757839 /nfs/dbraw/zinc/75/78/39/564757839.db2.gz WKUKLGKZMGXBEG-AWEZNQCLSA-N 0 3 379.551 2.725 20 30 GFEDHN CN(C)C(=O)CCN1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 ZINC000582370691 564843961 /nfs/dbraw/zinc/84/39/61/564843961.db2.gz XJOXXFZPFYQOBY-UHFFFAOYSA-N 0 3 397.292 2.814 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2nc(C(F)(F)F)cs2)cc1 ZINC000583688340 564903616 /nfs/dbraw/zinc/90/36/16/564903616.db2.gz DUOASSMKXMACAA-UHFFFAOYSA-N 0 3 389.424 2.640 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000584167642 564923548 /nfs/dbraw/zinc/92/35/48/564923548.db2.gz BSDDMIHVUGUXTB-GUYCJALGSA-N 0 3 380.330 2.868 20 30 GFEDHN C=CCN1CC[C@@H](NC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000685002619 565092342 /nfs/dbraw/zinc/09/23/42/565092342.db2.gz YZGFMAAODZKJCY-MRXNPFEDSA-N 0 3 379.298 2.831 20 30 GFEDHN N#Cc1ccc(OCCNC[C@@H](O)COc2cccc(Br)c2)cc1 ZINC000591745264 565237262 /nfs/dbraw/zinc/23/72/62/565237262.db2.gz BPOHGWGTYYLUAE-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101665 565314242 /nfs/dbraw/zinc/31/42/42/565314242.db2.gz QYWAKGLJYVCSSU-RHSMWYFYSA-N 0 3 376.298 2.806 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000594438635 565385826 /nfs/dbraw/zinc/38/58/26/565385826.db2.gz PDITYEIVNTUSFR-PBHICJAKSA-N 0 3 393.329 2.803 20 30 GFEDHN C=CCCSCCN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000595058737 565446136 /nfs/dbraw/zinc/44/61/36/565446136.db2.gz KLWMOEOHCCJXPT-INIZCTEOSA-N 0 3 384.567 2.667 20 30 GFEDHN N#Cc1ccc(Br)c(CN[C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595587806 565483895 /nfs/dbraw/zinc/48/38/95/565483895.db2.gz GWSFDFMWERFPAU-QGZVFWFLSA-N 0 3 379.298 2.978 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000668370178 565644885 /nfs/dbraw/zinc/64/48/85/565644885.db2.gz PLHJQWSJMBFEFU-UHFFFAOYSA-N 0 3 381.270 2.601 20 30 GFEDHN C=CC1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000600679914 565744408 /nfs/dbraw/zinc/74/44/08/565744408.db2.gz ATEFPWZTPWDWOC-UHFFFAOYSA-N 0 3 383.323 2.935 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000735420809 599188988 /nfs/dbraw/zinc/18/89/88/599188988.db2.gz UIWZNCKJHKYASK-SFHVURJKSA-N 0 3 399.543 2.931 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000735420809 599188990 /nfs/dbraw/zinc/18/89/90/599188990.db2.gz UIWZNCKJHKYASK-SFHVURJKSA-N 0 3 399.543 2.931 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826385162 608570593 /nfs/dbraw/zinc/57/05/93/608570593.db2.gz ZUYXCLXTLHPDBN-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826385162 608570595 /nfs/dbraw/zinc/57/05/95/608570595.db2.gz ZUYXCLXTLHPDBN-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(Br)cc3)CC2)CC1 ZINC000834313439 660813807 /nfs/dbraw/zinc/81/38/07/660813807.db2.gz LYQNVAXYYAMYMC-UHFFFAOYSA-N 0 3 375.310 2.942 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccccc2Br)CC1 ZINC000836288629 660898226 /nfs/dbraw/zinc/89/82/26/660898226.db2.gz YKEVRAZBZIFHMT-KRWDZBQOSA-N 0 3 396.329 2.822 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000836443655 660906065 /nfs/dbraw/zinc/90/60/65/660906065.db2.gz IOVPUKFWELNKLV-OAHLLOKOSA-N 0 3 380.286 2.527 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000836488837 660910477 /nfs/dbraw/zinc/91/04/77/660910477.db2.gz OZRIUBPYIFZZNZ-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000266717948 654890853 /nfs/dbraw/zinc/89/08/53/654890853.db2.gz OEZYUMRUJSDIMY-UHFFFAOYSA-N 0 3 386.279 2.707 20 30 GFEDHN CN(C)CCN(C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000176890618 655259269 /nfs/dbraw/zinc/25/92/69/655259269.db2.gz XKFDBPIQULJVMZ-UHFFFAOYSA-N 0 3 376.511 2.727 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)OC)c(F)cc2Br)CC1 ZINC000741604817 655706899 /nfs/dbraw/zinc/70/68/99/655706899.db2.gz UGKOBDOGTOWSIM-UHFFFAOYSA-N 0 3 397.244 2.659 20 30 GFEDHN C#CCCN1CCN(CCCOc2cccc(I)c2)CC1 ZINC000776596326 656764408 /nfs/dbraw/zinc/76/44/08/656764408.db2.gz YOPXXXORMKKTGK-UHFFFAOYSA-N 0 3 398.288 2.701 20 30 GFEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000802218349 659456627 /nfs/dbraw/zinc/45/66/27/659456627.db2.gz BQWIWUFIFRVSFH-ZDUSSCGKSA-N 0 3 377.809 2.877 20 30 GFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cn1cc(Cl)cn1 ZINC000808979972 659911815 /nfs/dbraw/zinc/91/18/15/659911815.db2.gz QCTXOIUXBUDRHZ-LLVKDONJSA-N 0 3 381.219 2.855 20 30 GFEDHN CCCCCNC(=O)C(C#N)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000810527141 659976819 /nfs/dbraw/zinc/97/68/19/659976819.db2.gz IPEJJYMWIIDINB-SNVBAGLBSA-N 0 3 378.782 2.879 20 30 GFEDHN C#CC[C@@H](COC)NCc1cc(Br)cc(Br)c1N ZINC000862549221 662291073 /nfs/dbraw/zinc/29/10/73/662291073.db2.gz XLBYXWXYZLRZCN-NSHDSACASA-N 0 3 376.092 2.922 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872060792 662755035 /nfs/dbraw/zinc/75/50/35/662755035.db2.gz UDXVJEFYPSRSQS-GOEBONIOSA-N 0 3 388.327 2.717 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000876554606 662862748 /nfs/dbraw/zinc/86/27/48/662862748.db2.gz PMQJEOUJYITIMH-CYBMUJFWSA-N 0 3 392.308 2.533 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C ZINC000876563420 662862841 /nfs/dbraw/zinc/86/28/41/662862841.db2.gz GUCQYUINGHNBER-HNNXBMFYSA-N 0 3 387.933 2.742 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000876597424 662863212 /nfs/dbraw/zinc/86/32/12/662863212.db2.gz YWISPJHWDIPLSD-STQMWFEESA-N 0 3 389.677 2.639 20 30 GFEDHN C=CCN1CCC(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000896208265 663545154 /nfs/dbraw/zinc/54/51/54/663545154.db2.gz AMCIAPPGDIGEBE-UHFFFAOYSA-N 0 3 381.314 2.775 20 30 GFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907187418 664010352 /nfs/dbraw/zinc/01/03/52/664010352.db2.gz MXAWNHMQZPFMIM-WBMJQRKESA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1cc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)ccc1Br ZINC000908274073 664096769 /nfs/dbraw/zinc/09/67/69/664096769.db2.gz XKAPKIQNBBWNIU-HNNXBMFYSA-N 0 3 385.283 2.515 20 30 GFEDHN C=CCN1CCC(NC(=O)NC2(c3ncc(Br)cn3)CCC2)CC1 ZINC000917141692 664476927 /nfs/dbraw/zinc/47/69/27/664476927.db2.gz HQCWFTRRLBTZFX-UHFFFAOYSA-N 0 3 394.317 2.568 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@H]3C2)cn1 ZINC001164762208 721129922 /nfs/dbraw/zinc/12/99/22/721129922.db2.gz CNYMDOZLUKUGPI-RBUKOAKNSA-N 0 3 376.508 2.719 20 30 GFEDHN N#Cc1c2c(cnc1N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCCC2 ZINC001164866672 721190553 /nfs/dbraw/zinc/19/05/53/721190553.db2.gz BSGZDWHKOYTZPR-WOJBJXKFSA-N 0 3 389.503 2.707 20 30 GFEDHN C=CCOc1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164910285 721535693 /nfs/dbraw/zinc/53/56/93/721535693.db2.gz UBBSISOZSBDZKQ-PKOBYXMFSA-N 0 3 384.455 2.831 20 30 GFEDHN N#Cc1cnc2cc[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c1-2 ZINC001164983347 722135592 /nfs/dbraw/zinc/13/55/92/722135592.db2.gz UNHMSIBMRQNQNQ-FXAWDEMLSA-N 0 3 388.475 2.557 20 30 GFEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156219370 551517728 /nfs/dbraw/zinc/51/77/28/551517728.db2.gz VJEBYSCEVZZYQV-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C=CCNC(=O)CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000180037702 552210205 /nfs/dbraw/zinc/21/02/05/552210205.db2.gz QGGLEMOYHQLOMG-SNVBAGLBSA-N 0 3 377.794 2.968 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000190925671 552513974 /nfs/dbraw/zinc/51/39/74/552513974.db2.gz KOHHVRLQJNFQSO-UHFFFAOYSA-N 0 3 398.288 2.990 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2c(F)ccc(C)c2Br)CC1 ZINC000280217564 563327574 /nfs/dbraw/zinc/32/75/74/563327574.db2.gz AVSMJCRWKZVVOA-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000297988247 563341364 /nfs/dbraw/zinc/34/13/64/563341364.db2.gz ZTZHGBUNABIGSV-AWEZNQCLSA-N 0 3 383.945 2.716 20 30 GFEDHN C=CCSCCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280528411 563341898 /nfs/dbraw/zinc/34/18/98/563341898.db2.gz GUVGSXHNVYKALW-JTQLQIEISA-N 0 3 379.345 2.666 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000424177014 563372676 /nfs/dbraw/zinc/37/26/76/563372676.db2.gz SXPNEBHTSNKGPM-INIZCTEOSA-N 0 3 380.286 2.840 20 30 GFEDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000281634430 563381110 /nfs/dbraw/zinc/38/11/10/563381110.db2.gz VAHPQQRVWLOBEI-UHFFFAOYSA-N 0 3 375.416 2.683 20 30 GFEDHN COC(=O)[C@@H]1CN(CCOCCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425506087 563425327 /nfs/dbraw/zinc/42/53/27/563425327.db2.gz CSXAFKYSTSMZIL-JKSUJKDBSA-N 0 3 381.270 2.568 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000283334045 563442010 /nfs/dbraw/zinc/44/20/10/563442010.db2.gz OBISTTSFZNQTOK-UHFFFAOYSA-N 0 3 384.307 2.766 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000329011392 563469922 /nfs/dbraw/zinc/46/99/22/563469922.db2.gz DSAYWBVGIKLZNK-CABCVRRESA-N 0 3 395.301 2.771 20 30 GFEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(C#N)c1Br ZINC000331304913 563545367 /nfs/dbraw/zinc/54/53/67/563545367.db2.gz FUPHKHSGGIGQAF-ZDUSSCGKSA-N 0 3 379.302 2.651 20 30 GFEDHN C[C@@H]1CN(CCCNC(=O)c2cccc(C#N)c2Br)CCCO1 ZINC000331586294 563554482 /nfs/dbraw/zinc/55/44/82/563554482.db2.gz XPWAUTBCJRRCDJ-CYBMUJFWSA-N 0 3 380.286 2.551 20 30 GFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000332075878 563574909 /nfs/dbraw/zinc/57/49/09/563574909.db2.gz FZPHTTWXCUVKAE-WFASDCNBSA-N 0 3 398.326 2.568 20 30 GFEDHN C=CCn1c(SC[C@@H](O)CN(C)C2CC2)nc2cc(Cl)ccc2c1=O ZINC000290734154 563720040 /nfs/dbraw/zinc/72/00/40/563720040.db2.gz GHTPGTCTZPWXQD-AWEZNQCLSA-N 0 3 379.913 2.783 20 30 GFEDHN C[C@H](NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC000442119560 563768445 /nfs/dbraw/zinc/76/84/45/563768445.db2.gz OLCLGQHTSWICPH-LBPRGKRZSA-N 0 3 381.860 2.980 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000367140776 563833340 /nfs/dbraw/zinc/83/33/40/563833340.db2.gz LZSWLIQDBLWQEI-MRXNPFEDSA-N 0 3 377.282 2.734 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)c1nc2cccc(Br)c2s1 ZINC000506898817 564213880 /nfs/dbraw/zinc/21/38/80/564213880.db2.gz WMGHIXGVYVOVDO-MRVPVSSYSA-N 0 3 389.296 2.523 20 30 GFEDHN CC(C)N1CCC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450929519 564256266 /nfs/dbraw/zinc/25/62/66/564256266.db2.gz JQKNKXUZGVMFJM-CQSZACIVSA-N 0 3 380.286 2.689 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CCCC2=O)cc1OC ZINC000515659714 564484523 /nfs/dbraw/zinc/48/45/23/564484523.db2.gz ULVIQRRNVPRPKQ-UHFFFAOYSA-N 0 3 383.286 2.735 20 30 GFEDHN CCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCN(C)C1 ZINC000592829687 565299669 /nfs/dbraw/zinc/29/96/69/565299669.db2.gz VLPNHTHHJSSTNP-CYBMUJFWSA-N 0 3 380.286 2.642 20 30 GFEDHN CSC1(CNC(=O)Cc2ccc(Br)cc2C#N)CCN(C)CC1 ZINC000593162160 565317455 /nfs/dbraw/zinc/31/74/55/565317455.db2.gz NGZBUWDDXNBDOF-UHFFFAOYSA-N 0 3 396.354 2.807 20 30 GFEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(OC)c(Br)c1 ZINC000593586532 565345042 /nfs/dbraw/zinc/34/50/42/565345042.db2.gz QKKOLVOWSPJBJM-QMTHXVAHSA-N 0 3 383.242 2.728 20 30 GFEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(OC)c(Br)c1 ZINC000593586533 565345163 /nfs/dbraw/zinc/34/51/63/565345163.db2.gz QKKOLVOWSPJBJM-YGRLFVJLSA-N 0 3 383.242 2.728 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000594445348 565385449 /nfs/dbraw/zinc/38/54/49/565385449.db2.gz DIPMAXOCFBPHLA-AWEZNQCLSA-N 0 3 399.358 2.566 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000594432002 565385574 /nfs/dbraw/zinc/38/55/74/565385574.db2.gz UVUQRAYDDWZTPG-INIZCTEOSA-N 0 3 394.313 2.982 20 30 GFEDHN CC#CC[C@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000641768823 565398407 /nfs/dbraw/zinc/39/84/07/565398407.db2.gz JHUHKWLYTDRJMW-LLVKDONJSA-N 0 3 378.213 2.923 20 30 GFEDHN N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1ccc(Br)cn1)CC2 ZINC000595056546 565445605 /nfs/dbraw/zinc/44/56/05/565445605.db2.gz LWBYTXNENJQIHW-INIZCTEOSA-N 0 3 385.265 2.723 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000599398776 565675750 /nfs/dbraw/zinc/67/57/50/565675750.db2.gz CXNWVUKXZLHZBL-CZUORRHYSA-N 0 3 395.297 2.934 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000599404911 565677027 /nfs/dbraw/zinc/67/70/27/565677027.db2.gz QUHTZZVKVUCRAY-IRXDYDNUSA-N 0 3 394.313 2.956 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@@H](c2cncc(Br)c2)C2CC2)CCOCC1 ZINC000599404910 565677036 /nfs/dbraw/zinc/67/70/36/565677036.db2.gz QUHTZZVKVUCRAY-IAGOWNOFSA-N 0 3 394.313 2.956 20 30 GFEDHN N#Cc1cnn2cc(CN[C@@H]3[C@@H]4Cc5c(cccc5Br)[C@@H]43)cnc12 ZINC000602729148 565864862 /nfs/dbraw/zinc/86/48/62/565864862.db2.gz RGIKOINKJFNAEP-HYVNUMGLSA-N 0 3 380.249 2.791 20 30 GFEDHN N#Cc1cccc(OC2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737731053 598251163 /nfs/dbraw/zinc/25/11/63/598251163.db2.gz WXFJBICHIZJNPW-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN C#CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000735375234 598758026 /nfs/dbraw/zinc/75/80/26/598758026.db2.gz WEKVQOLGSZLSNJ-HXUWFJFHSA-N 0 3 386.459 2.818 20 30 GFEDHN C#CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000735375234 598758028 /nfs/dbraw/zinc/75/80/28/598758028.db2.gz WEKVQOLGSZLSNJ-HXUWFJFHSA-N 0 3 386.459 2.818 20 30 GFEDHN N#Cc1ccc(OCCN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737722716 598766711 /nfs/dbraw/zinc/76/67/11/598766711.db2.gz XVMHRYDNGGHSDV-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000129655640 654870407 /nfs/dbraw/zinc/87/04/07/654870407.db2.gz LCPZZHAQVILCIX-DOMZBBRYSA-N 0 3 381.270 2.804 20 30 GFEDHN C=C(Br)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000069117212 654973622 /nfs/dbraw/zinc/97/36/22/654973622.db2.gz IHUUDEBLGOXTHM-UHFFFAOYSA-N 0 3 395.345 2.797 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000838622797 661051349 /nfs/dbraw/zinc/05/13/49/661051349.db2.gz NSJPMUKMDYRNRF-UHFFFAOYSA-N 0 3 382.302 2.641 20 30 GFEDHN C[C@H](NCCSCc1ccccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000271853261 655096824 /nfs/dbraw/zinc/09/68/24/655096824.db2.gz MTHUQVQPLXKJDE-AWEZNQCLSA-N 0 3 375.519 2.790 20 30 GFEDHN CC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000171566804 655152343 /nfs/dbraw/zinc/15/23/43/655152343.db2.gz DVQAKLXLVOIBGM-AAEUAGOBSA-N 0 3 382.247 2.899 20 30 GFEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000179457649 655313662 /nfs/dbraw/zinc/31/36/62/655313662.db2.gz CHYFRUYUSIKVHK-AWEZNQCLSA-N 0 3 379.254 2.768 20 30 GFEDHN C=CCCOCCNCc1cc(I)c(OC)c(OC)c1 ZINC000120811787 655344269 /nfs/dbraw/zinc/34/42/69/655344269.db2.gz QLSJMPPLEWITGK-UHFFFAOYSA-N 0 3 391.249 2.991 20 30 GFEDHN C#CCN1CCC(C(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000293609427 655359950 /nfs/dbraw/zinc/35/99/50/655359950.db2.gz COASLCNOLATMJY-UHFFFAOYSA-N 0 3 375.310 2.986 20 30 GFEDHN C=CCOC[C@@H]1NC(=O)N([C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530215436 655420458 /nfs/dbraw/zinc/42/04/58/655420458.db2.gz XHTNZGBVJCMMQC-GJZGRUSLSA-N 0 3 386.279 2.719 20 30 GFEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000815861729 660133180 /nfs/dbraw/zinc/13/31/80/660133180.db2.gz WZTBJOMKRCKNGX-UHFFFAOYSA-N 0 3 389.855 2.665 20 30 GFEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NCCCOC ZINC000842284308 661331495 /nfs/dbraw/zinc/33/14/95/661331495.db2.gz HAPOJBCYKWVUIQ-GOEBONIOSA-N 0 3 395.297 2.879 20 30 GFEDHN C=C(Cl)C[C@H]1NC(=O)N(C2CC(N3CCC(C(F)(F)F)CC3)C2)C1=O ZINC000865306939 662411756 /nfs/dbraw/zinc/41/17/56/662411756.db2.gz ILTPCODNCRBTFZ-WXRRBKDZSA-N 0 3 379.810 2.855 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(Cl)nn(C)c1Cl ZINC000875172378 662842894 /nfs/dbraw/zinc/84/28/94/662842894.db2.gz ZDQJRIGIBGTJEH-UHFFFAOYSA-N 0 3 380.279 2.803 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000876765784 662866020 /nfs/dbraw/zinc/86/60/20/662866020.db2.gz XPZABMKHRLBJFT-SMDDNHRTSA-N 0 3 377.794 2.750 20 30 GFEDHN Cc1cc(Br)cc2c1CN(C(=O)C1CC3(C1)CNC[C@H]3C#N)CC2 ZINC000884331784 663069077 /nfs/dbraw/zinc/06/90/77/663069077.db2.gz XDFWRNPJEHVGBH-XAUUPUKJSA-N 0 3 388.309 2.782 20 30 GFEDHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283578 663088255 /nfs/dbraw/zinc/08/82/55/663088255.db2.gz KGOHBHUSKFXPAU-HRDYMLBCSA-N 0 3 382.295 2.956 20 30 GFEDHN CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286508 663088486 /nfs/dbraw/zinc/08/84/86/663088486.db2.gz FTHKMUAUFWFHSC-RKDXNWHRSA-N 0 3 382.295 2.956 20 30 GFEDHN C#CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000886578830 663114109 /nfs/dbraw/zinc/11/41/09/663114109.db2.gz MXIPZNDXJDIJBG-UHFFFAOYSA-N 0 3 381.885 2.896 20 30 GFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912015336 664266483 /nfs/dbraw/zinc/26/64/83/664266483.db2.gz WHTVFJGEZLVUGI-HNNXBMFYSA-N 0 3 385.917 2.747 20 30 GFEDHN COc1cc(C=NNC(=N)N)cc(Br)c1OCc1ccccc1 ZINC000915051056 664419860 /nfs/dbraw/zinc/41/98/60/664419860.db2.gz SNVKLXROQKUIHF-UHFFFAOYSA-N 0 3 377.242 2.854 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1ccc(Br)cc1 ZINC000916890844 664473846 /nfs/dbraw/zinc/47/38/46/664473846.db2.gz ORUYKPVGBCHCNX-HNNXBMFYSA-N 0 3 381.270 2.633 20 30 GFEDHN CCN(C)C(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941295 664843464 /nfs/dbraw/zinc/84/34/64/664843464.db2.gz LZCQJAGNGXNHHP-IUCAKERBSA-N 0 3 382.295 2.958 20 30 GFEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000155200481 551494266 /nfs/dbraw/zinc/49/42/66/551494266.db2.gz GXLKMFFBSCHWET-CQSZACIVSA-N 0 3 398.326 2.616 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cn1 ZINC000170757035 551639425 /nfs/dbraw/zinc/63/94/25/551639425.db2.gz FGMJTXMAWOWLEN-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CN1CCN([C@H]2CCCCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000182907406 552295582 /nfs/dbraw/zinc/29/55/82/552295582.db2.gz CQFNDBUBOZERMD-SFHVURJKSA-N 0 3 391.357 2.923 20 30 GFEDHN N#Cc1cc(Br)cnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000294973884 563223745 /nfs/dbraw/zinc/22/37/45/563223745.db2.gz LYCXSICJVPNQPD-KRWDZBQOSA-N 0 3 387.281 2.894 20 30 GFEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000372810010 563317990 /nfs/dbraw/zinc/31/79/90/563317990.db2.gz MGLJDWUAWLADBG-DNVCBOLYSA-N 0 3 391.357 2.779 20 30 GFEDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000373734571 563349018 /nfs/dbraw/zinc/34/90/18/563349018.db2.gz CTGJQSBVBJTVRY-MRXNPFEDSA-N 0 3 375.519 2.762 20 30 GFEDHN Cc1ccc2c(ncc(C#N)c2N2CCCN(CCO)CC2)c1Br ZINC000280670319 563349357 /nfs/dbraw/zinc/34/93/57/563349357.db2.gz HLMAWPDJCMYPPN-UHFFFAOYSA-N 0 3 389.297 2.682 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000424113782 563370964 /nfs/dbraw/zinc/37/09/64/563370964.db2.gz OLKZGOQFCBHHPT-LLVKDONJSA-N 0 3 376.201 2.688 20 30 GFEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000424136148 563371784 /nfs/dbraw/zinc/37/17/84/563371784.db2.gz NMWGMGZZVIZUON-GXFFZTMASA-N 0 3 392.257 2.697 20 30 GFEDHN Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@H]1CCCN1C ZINC000328750297 563464491 /nfs/dbraw/zinc/46/44/91/563464491.db2.gz QNHWTHJYCSJVSF-CYBMUJFWSA-N 0 3 383.290 2.943 20 30 GFEDHN CCN1CCC(NC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)CC1 ZINC000330678435 563517353 /nfs/dbraw/zinc/51/73/53/563517353.db2.gz CJTSYUORLQEFHE-UHFFFAOYSA-N 0 3 375.441 2.838 20 30 GFEDHN Cc1nc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c(Br)s1 ZINC000331357998 563547043 /nfs/dbraw/zinc/54/70/43/563547043.db2.gz UPLGDMGLJONKEZ-NSHDSACASA-N 0 3 376.320 2.611 20 30 GFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000286890613 563578904 /nfs/dbraw/zinc/57/89/04/563578904.db2.gz ZZDDEFUIXUBYKS-MLGOLLRUSA-N 0 3 398.326 2.568 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000288815461 563658107 /nfs/dbraw/zinc/65/81/07/563658107.db2.gz LVKLHAIFKKXSDH-NOZJJQNGSA-N 0 3 375.372 2.835 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000365191174 563777265 /nfs/dbraw/zinc/77/72/65/563777265.db2.gz JYIBQGBFRCTNAS-QGZVFWFLSA-N 0 3 391.357 2.780 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C ZINC000443535948 563807982 /nfs/dbraw/zinc/80/79/82/563807982.db2.gz WBZZESWNQXVHRK-UHFFFAOYSA-N 0 3 388.331 2.718 20 30 GFEDHN CN1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000416564273 563849463 /nfs/dbraw/zinc/84/94/63/563849463.db2.gz ZRXMVCSFDLGKNL-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN(Cc1cccs1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000451016112 564263091 /nfs/dbraw/zinc/26/30/91/564263091.db2.gz QTYNYUUKWFDJAZ-GFCCVEGCSA-N 0 3 385.429 2.950 20 30 GFEDHN Cn1cc(CNCCOc2ccc(I)cc2)cc1C#N ZINC000509428890 564298219 /nfs/dbraw/zinc/29/82/19/564298219.db2.gz IMCSSTVUTMVZDI-UHFFFAOYSA-N 0 3 381.217 2.670 20 30 GFEDHN C[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000509523683 564302988 /nfs/dbraw/zinc/30/29/88/564302988.db2.gz KZVBXZSUTPLHTJ-GFCCVEGCSA-N 0 3 381.860 2.980 20 30 GFEDHN C[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000566484975 564328509 /nfs/dbraw/zinc/32/85/09/564328509.db2.gz VJIQHMLXUFDIJL-GUYCJALGSA-N 0 3 395.320 2.922 20 30 GFEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000452096054 564392063 /nfs/dbraw/zinc/39/20/63/564392063.db2.gz ZPMQHEKIWMQGJP-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN COc1cc(CNC[C@@H](O)COc2cccc(Br)c2)ccc1C#N ZINC000568621751 564426887 /nfs/dbraw/zinc/42/68/87/564426887.db2.gz GVICVMFFKAAVCR-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN CN(C)[C@]1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCSC1 ZINC000487831568 564697019 /nfs/dbraw/zinc/69/70/19/564697019.db2.gz CELQGKZELZGAQA-HNNXBMFYSA-N 0 3 383.315 2.880 20 30 GFEDHN C=CCN(C)CCN(CC)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000556066664 564811621 /nfs/dbraw/zinc/81/16/21/564811621.db2.gz MMBBYOQALWUKPL-UHFFFAOYSA-N 0 3 388.375 2.909 20 30 GFEDHN N#Cc1cnn2cc(CN[C@@H]3CCN(c4cccc(Br)c4)C3)cnc12 ZINC000563151672 565057311 /nfs/dbraw/zinc/05/73/11/565057311.db2.gz ZNJDTTOMOKKNHE-MRXNPFEDSA-N 0 3 397.280 2.732 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNCCNc2ncc(Cl)cc2Cl)cc1 ZINC000591726518 565237827 /nfs/dbraw/zinc/23/78/27/565237827.db2.gz DSWHMRJDEAYKSK-AWEZNQCLSA-N 0 3 381.263 2.701 20 30 GFEDHN C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593571411 565343081 /nfs/dbraw/zinc/34/30/81/565343081.db2.gz HUEUMOWSQRZBOG-HOCLYGCPSA-N 0 3 375.519 2.809 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000594438866 565385164 /nfs/dbraw/zinc/38/51/64/565385164.db2.gz QFTAUQWHTLMEPY-UKRRQHHQSA-N 0 3 379.302 2.555 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594441327 565385947 /nfs/dbraw/zinc/38/59/47/565385947.db2.gz QWIXXNCBMAAKFE-RHSMWYFYSA-N 0 3 393.329 2.803 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CC[C@@H](O)C2)cc1OCC ZINC000623756936 565529212 /nfs/dbraw/zinc/52/92/12/565529212.db2.gz KAFOSHCRSGAYKE-OAHLLOKOSA-N 0 3 399.329 2.569 20 30 GFEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000599428958 565678547 /nfs/dbraw/zinc/67/85/47/565678547.db2.gz NGFZUAUSIDREAI-UKRRQHHQSA-N 0 3 397.313 2.916 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOc1ncc(Cl)cc1Cl ZINC000600729172 565747333 /nfs/dbraw/zinc/74/73/33/565747333.db2.gz FDSLRNFFNOPMIT-AWEZNQCLSA-N 0 3 382.247 2.668 20 30 GFEDHN C[C@H](CC1(C#N)CCOCC1)NCCNC(=O)c1ccc(Br)cc1 ZINC000602517969 565853062 /nfs/dbraw/zinc/85/30/62/565853062.db2.gz IKRHNKOXHNHCLF-CQSZACIVSA-N 0 3 394.313 2.867 20 30 GFEDHN Cc1cc(C(C#N)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)nc(C)n1 ZINC000737244017 598733911 /nfs/dbraw/zinc/73/39/11/598733911.db2.gz WXNPYNVWDQLSLA-KRWDZBQOSA-N 0 3 391.435 2.699 20 30 GFEDHN C=CCc1cc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000823937064 607566957 /nfs/dbraw/zinc/56/69/57/607566957.db2.gz GTFHEDJGKAJTOE-UHFFFAOYSA-N 0 3 381.436 2.608 20 30 GFEDHN C#CCN(C)CCCNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000818609232 660229944 /nfs/dbraw/zinc/22/99/44/660229944.db2.gz PYZCLKFOQAPVLC-UHFFFAOYSA-N 0 3 376.810 2.627 20 30 GFEDHN COc1ccc(CNC[C@H](O)COc2ccc(Br)cc2)cc1C#N ZINC000819182681 660249338 /nfs/dbraw/zinc/24/93/38/660249338.db2.gz GXNUXGQAQMJECS-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(Br)n(C)n2)cc1 ZINC000835062144 660839790 /nfs/dbraw/zinc/83/97/90/660839790.db2.gz MHYGTJNKKAUTAP-GFCCVEGCSA-N 0 3 375.226 2.706 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000836385742 660902950 /nfs/dbraw/zinc/90/29/50/660902950.db2.gz JIUAWFRISDVHHD-WMLDXEAASA-N 0 3 396.329 2.779 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)cn1C ZINC000047011407 654688859 /nfs/dbraw/zinc/68/88/59/654688859.db2.gz WRBZTICHOULUHP-UHFFFAOYSA-N 0 3 389.297 2.863 20 30 GFEDHN N#CC(C(=O)CCCNC(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130492891 654889488 /nfs/dbraw/zinc/88/94/88/654889488.db2.gz VZCGAWKGYDZIME-CQSZACIVSA-N 0 3 382.247 2.947 20 30 GFEDHN C#CCCOc1ccc(CNCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000158250991 655105822 /nfs/dbraw/zinc/10/58/22/655105822.db2.gz JUBDTJMPDKROON-UHFFFAOYSA-N 0 3 378.519 2.561 20 30 GFEDHN C#CCOc1ccc([C@@H](C)NCCN(C)S(=O)(=O)c2cccs2)cc1 ZINC000181503833 655338401 /nfs/dbraw/zinc/33/84/01/655338401.db2.gz ZREUYDXWCNAHTG-OAHLLOKOSA-N 0 3 378.519 2.731 20 30 GFEDHN C=CCOC[C@H]1NC(=O)N([C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530215437 655420479 /nfs/dbraw/zinc/42/04/79/655420479.db2.gz XHTNZGBVJCMMQC-HUUCEWRRSA-N 0 3 386.279 2.719 20 30 GFEDHN CN(C)[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(Cl)cc1 ZINC000755001467 655878211 /nfs/dbraw/zinc/87/82/11/655878211.db2.gz GIHDPBUCCPWBMA-MRXNPFEDSA-N 0 3 378.885 2.574 20 30 GFEDHN C[C@H](NC(=O)C(C#N)C(=O)Cc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000774261503 656510255 /nfs/dbraw/zinc/51/02/55/656510255.db2.gz ZWNYGFPZDLAGIR-HZMBPMFUSA-N 0 3 379.247 2.856 20 30 GFEDHN C#C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000775790891 656680311 /nfs/dbraw/zinc/68/03/11/656680311.db2.gz JUHOCNUZXMLBBL-DUVNUKRYSA-N 0 3 388.689 2.613 20 30 GFEDHN N#Cc1ccc([C@H](O)CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795347494 658809070 /nfs/dbraw/zinc/80/90/70/658809070.db2.gz BYMYHUGPEJPLDR-IAGOWNOFSA-N 0 3 379.229 2.816 20 30 GFEDHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1CCC(C#N)CC1 ZINC000799343688 659183316 /nfs/dbraw/zinc/18/33/16/659183316.db2.gz KYHGWMVIRIWTJZ-YMAMQOFZSA-N 0 3 384.933 2.624 20 30 GFEDHN Cc1ccc(Br)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1C#N ZINC000872489942 662772520 /nfs/dbraw/zinc/77/25/20/662772520.db2.gz UHNCPKPQEPATHV-MRXNPFEDSA-N 0 3 391.313 2.548 20 30 GFEDHN C[C@H](Cc1ccccc1Br)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884165943 663066305 /nfs/dbraw/zinc/06/63/05/663066305.db2.gz RCWQURMMMZMBPX-PBIRYHDKSA-N 0 3 376.298 2.636 20 30 GFEDHN Cc1cc(Br)cc2c1CN(C(=O)C1CC3(C1)CNC[C@@H]3C#N)CC2 ZINC000884331783 663069075 /nfs/dbraw/zinc/06/90/75/663069075.db2.gz XDFWRNPJEHVGBH-HVEKOLDVSA-N 0 3 388.309 2.782 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCC(F)(F)c1ccc(Br)cc1)C2 ZINC000884425910 663070585 /nfs/dbraw/zinc/07/05/85/663070585.db2.gz WGFHUGPLHWLZEH-ULKWEWGCSA-N 0 3 398.251 2.796 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3ccc(F)c(Br)c3C1)C2 ZINC000884429832 663070679 /nfs/dbraw/zinc/07/06/79/663070679.db2.gz VLDWLIDHFCLVEZ-YNAXMUEKSA-N 0 3 392.272 2.612 20 30 GFEDHN CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286511 663088488 /nfs/dbraw/zinc/08/84/88/663088488.db2.gz FWHBGAUKNWSQIN-DTORHVGOSA-N 0 3 382.295 2.958 20 30 GFEDHN COc1cc(C=NNC(=N)N)ccc1OCc1ccc(Br)cc1 ZINC000915959142 664445143 /nfs/dbraw/zinc/44/51/43/664445143.db2.gz KOZFALCFTBKSNX-UHFFFAOYSA-N 0 3 377.242 2.854 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000922109914 664586255 /nfs/dbraw/zinc/58/62/55/664586255.db2.gz MDWDRGUQICLGHJ-YOEHRIQHSA-N 0 3 379.298 2.978 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(C)c(Br)c1)C1CCN(C)CC1 ZINC000923963871 664641926 /nfs/dbraw/zinc/64/19/26/664641926.db2.gz IYYWFSXQRQAAHF-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1ccc(Br)cc1F ZINC000120373262 677396019 /nfs/dbraw/zinc/39/60/19/677396019.db2.gz CMODIVZFZVZSJU-CQSZACIVSA-N 0 3 399.260 2.772 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000171721328 551662080 /nfs/dbraw/zinc/66/20/80/551662080.db2.gz NKOXERPPJICUGZ-INIZCTEOSA-N 0 3 379.913 2.910 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(Br)c(Cl)c1 ZINC000188867881 552456960 /nfs/dbraw/zinc/45/69/60/552456960.db2.gz NRROAZVDTLQRFC-VIFPVBQESA-N 0 3 380.691 2.708 20 30 GFEDHN CCN1CCN([C@H]2CCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000191787805 552537839 /nfs/dbraw/zinc/53/78/39/552537839.db2.gz ADPYJTSZNYCLGY-KRWDZBQOSA-N 0 3 377.330 2.533 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1Cl ZINC000246246720 553105293 /nfs/dbraw/zinc/10/52/93/553105293.db2.gz DWRNUJPCMVYCGH-UGSOOPFHSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@]2(CCO)CCOC2)cc1OC ZINC000278497293 563259067 /nfs/dbraw/zinc/25/90/67/563259067.db2.gz MVWHPVXXGXASNA-QGZVFWFLSA-N 0 3 386.286 2.654 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000424136275 563371772 /nfs/dbraw/zinc/37/17/72/563371772.db2.gz NRAWKVDGFGFXQU-CQSZACIVSA-N 0 3 376.258 2.654 20 30 GFEDHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195093 563373266 /nfs/dbraw/zinc/37/32/66/563373266.db2.gz CICIFWFKZKOTDT-SLEUVZQESA-N 0 3 380.286 2.744 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000424640208 563384945 /nfs/dbraw/zinc/38/49/45/563384945.db2.gz AFMCYXYEPGRDBF-UHFFFAOYSA-N 0 3 378.270 2.899 20 30 GFEDHN CCN1CCC(NC(=O)CN2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000329226788 563475857 /nfs/dbraw/zinc/47/58/57/563475857.db2.gz HQBSULRUOBWKFW-UHFFFAOYSA-N 0 3 398.349 2.723 20 30 GFEDHN CS[C@H]1CN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1N1CCCC1 ZINC000330131370 563495971 /nfs/dbraw/zinc/49/59/71/563495971.db2.gz PQWLMJLXOLESHD-OLZOCXBDSA-N 0 3 383.587 2.935 20 30 GFEDHN C[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000378311704 563501745 /nfs/dbraw/zinc/50/17/45/563501745.db2.gz HPIINDNVDAZBHW-YOEHRIQHSA-N 0 3 377.330 2.783 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@@H]1N(C)C ZINC000330705651 563518262 /nfs/dbraw/zinc/51/82/62/563518262.db2.gz KWLWQSVJJVYEEX-RYUDHWBXSA-N 0 3 378.420 2.546 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@H]1N(C)C ZINC000330705653 563518295 /nfs/dbraw/zinc/51/82/95/563518295.db2.gz KWLWQSVJJVYEEX-VXGBXAGGSA-N 0 3 378.420 2.546 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000286369709 563558035 /nfs/dbraw/zinc/55/80/35/563558035.db2.gz CFZCSWLHKQEZOZ-GFCCVEGCSA-N 0 3 384.307 2.937 20 30 GFEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000333564799 563636101 /nfs/dbraw/zinc/63/61/01/563636101.db2.gz OQWJLSMBVAOCFM-PBHICJAKSA-N 0 3 392.297 2.642 20 30 GFEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000450120986 564218249 /nfs/dbraw/zinc/21/82/49/564218249.db2.gz HTWPURQBCNWQRO-OKILXGFUSA-N 0 3 394.313 2.940 20 30 GFEDHN N#Cc1cc(Br)cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000450394643 564230699 /nfs/dbraw/zinc/23/06/99/564230699.db2.gz SMFOXZRJUUZWQZ-INIZCTEOSA-N 0 3 379.302 2.797 20 30 GFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450486713 564234898 /nfs/dbraw/zinc/23/48/98/564234898.db2.gz SSWSYFODOCEYMD-ZDUSSCGKSA-N 0 3 394.313 2.888 20 30 GFEDHN CC(C)N1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450930550 564256001 /nfs/dbraw/zinc/25/60/01/564256001.db2.gz NDKBMIFAYYDCBQ-CYBMUJFWSA-N 0 3 380.286 2.689 20 30 GFEDHN C=CCn1c(SC[C@@H](O)CN(C)CC)nc2sc3c(c2c1=O)CCC3 ZINC000565224665 564271749 /nfs/dbraw/zinc/27/17/49/564271749.db2.gz LUSIVKCWKNOYJN-LBPRGKRZSA-N 0 3 379.551 2.537 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)cc3c2OCC3)CC1 ZINC000547314715 564483503 /nfs/dbraw/zinc/48/35/03/564483503.db2.gz FLHGQNDLZLVNGK-UHFFFAOYSA-N 0 3 394.313 2.834 20 30 GFEDHN CN(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000570218412 564496440 /nfs/dbraw/zinc/49/64/40/564496440.db2.gz NYKPEPAFZYLWJG-INIZCTEOSA-N 0 3 377.897 2.835 20 30 GFEDHN N#CCCC1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000519715021 564587455 /nfs/dbraw/zinc/58/74/55/564587455.db2.gz WHJFKZRUKMLDHT-UHFFFAOYSA-N 0 3 375.270 2.973 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2ncc(Cl)cc2Cl)cc1 ZINC000519698065 564587892 /nfs/dbraw/zinc/58/78/92/564587892.db2.gz KSLBXUQGCRIDAZ-AWEZNQCLSA-N 0 3 382.247 2.668 20 30 GFEDHN CC(C)N1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000457093878 564646834 /nfs/dbraw/zinc/64/68/34/564646834.db2.gz OLATYRXUCUQMPR-AWEZNQCLSA-N 0 3 380.286 2.641 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000576271520 564711035 /nfs/dbraw/zinc/71/10/35/564711035.db2.gz DRCBLNCHFMSDPZ-RDJZCZTQSA-N 0 3 380.330 2.868 20 30 GFEDHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC(C)(C)CC#N ZINC000459735450 564759813 /nfs/dbraw/zinc/75/98/13/564759813.db2.gz SVUJSANRIXXJOV-GFCCVEGCSA-N 0 3 382.302 2.992 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cccc(F)c2I)CC1 ZINC000532754283 564944390 /nfs/dbraw/zinc/94/43/90/564944390.db2.gz OBNWMVHVUCGZNF-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN CCC(C#N)C(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000593560674 565341463 /nfs/dbraw/zinc/34/14/63/565341463.db2.gz WDDQHNANGAXBKR-YGRLFVJLSA-N 0 3 392.253 2.680 20 30 GFEDHN Cc1ccc(Br)c2ncc(C#N)c(N3CCCN(CCO)CC3)c12 ZINC000601113974 565767481 /nfs/dbraw/zinc/76/74/81/565767481.db2.gz LAPAHDIIUJINKX-UHFFFAOYSA-N 0 3 389.297 2.682 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@@H]2C2CC2)cc1 ZINC000602991120 565878158 /nfs/dbraw/zinc/87/81/58/565878158.db2.gz WCJAECRLISWBQE-MLGOLLRUSA-N 0 3 379.507 2.732 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCc2nncn2CC)cc1OC ZINC000674716967 565881907 /nfs/dbraw/zinc/88/19/07/565881907.db2.gz DGUNZKGXXMDLHR-UHFFFAOYSA-N 0 3 395.301 2.966 20 30 GFEDHN CCN1CCN(C[C@H](C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094736 566113994 /nfs/dbraw/zinc/11/39/94/566113994.db2.gz VOCMUGANEVJDBR-CYBMUJFWSA-N 0 3 383.323 2.868 20 30 GFEDHN C=CCc1cc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000819759516 599429896 /nfs/dbraw/zinc/42/98/96/599429896.db2.gz YMLIYTCFYDRHGB-UHFFFAOYSA-N 0 3 395.463 2.911 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000823909451 607560707 /nfs/dbraw/zinc/56/07/07/607560707.db2.gz DWFSWTPKDTYRRV-UHFFFAOYSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000823909451 607560709 /nfs/dbraw/zinc/56/07/09/607560709.db2.gz DWFSWTPKDTYRRV-UHFFFAOYSA-N 0 3 397.527 2.685 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000819743121 606640791 /nfs/dbraw/zinc/64/07/91/606640791.db2.gz DBZUFRRNMJEMJT-HNNXBMFYSA-N 0 3 385.516 2.541 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000819743121 606640792 /nfs/dbraw/zinc/64/07/92/606640792.db2.gz DBZUFRRNMJEMJT-HNNXBMFYSA-N 0 3 385.516 2.541 20 30 GFEDHN C#CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000823850569 607920969 /nfs/dbraw/zinc/92/09/69/607920969.db2.gz RLYMJEHNOQVJGY-IBGZPJMESA-N 0 3 387.443 2.776 20 30 GFEDHN C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000823850569 607920970 /nfs/dbraw/zinc/92/09/70/607920970.db2.gz RLYMJEHNOQVJGY-IBGZPJMESA-N 0 3 387.443 2.776 20 30 GFEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000123541158 654758899 /nfs/dbraw/zinc/75/88/99/654758899.db2.gz GUGFKKIIGHCTSM-VIFPVBQESA-N 0 3 384.280 2.631 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000838622741 661050947 /nfs/dbraw/zinc/05/09/47/661050947.db2.gz ZKKLFXBQXVUVSS-IAGOWNOFSA-N 0 3 384.307 2.548 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Br)s1 ZINC000173933370 655186438 /nfs/dbraw/zinc/18/64/38/655186438.db2.gz RRGLYNSSPSHWSD-MNOVXSKESA-N 0 3 387.299 2.866 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000177551265 655281223 /nfs/dbraw/zinc/28/12/23/655281223.db2.gz YTZJOPKEOSQSQB-UHFFFAOYSA-N 0 3 384.261 2.600 20 30 GFEDHN N#Cc1ccc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000512895362 655418080 /nfs/dbraw/zinc/41/80/80/655418080.db2.gz OYPAXEQCZCBXGM-UHFFFAOYSA-N 0 3 384.288 2.933 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCN1CCOC(C)(C)C1 ZINC000729682922 655566730 /nfs/dbraw/zinc/56/67/30/655566730.db2.gz ISDBTLIPQNWHJK-UHFFFAOYSA-N 0 3 381.314 2.662 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000876588899 662863178 /nfs/dbraw/zinc/86/31/78/662863178.db2.gz HKDMDYVFOVOKAB-AWEZNQCLSA-N 0 3 388.295 2.996 20 30 GFEDHN C#CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)C1CCN(C)CC1 ZINC000886576092 663114173 /nfs/dbraw/zinc/11/41/73/663114173.db2.gz WZSXRNJCXOLFRV-UHFFFAOYSA-N 0 3 395.297 2.636 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000886804126 663119282 /nfs/dbraw/zinc/11/92/82/663119282.db2.gz SIQXFVYXHZEEGA-HNNXBMFYSA-N 0 3 375.778 2.787 20 30 GFEDHN N#CC(C(=O)Cc1ccc(F)c(Br)c1)C(=O)Nc1ccccn1 ZINC000917509712 664485203 /nfs/dbraw/zinc/48/52/03/664485203.db2.gz NOHKMQXWANEWPO-LLVKDONJSA-N 0 3 376.185 2.873 20 30 GFEDHN C#CCN(C(=O)C(=O)N[C@@H](CC)c1ccc(Cl)s1)C1CCN(C)CC1 ZINC000930181351 664763901 /nfs/dbraw/zinc/76/39/01/664763901.db2.gz GLNGLZHNYAYRNH-AWEZNQCLSA-N 0 3 381.929 2.525 20 30 GFEDHN Cc1[nH]nc(Br)c1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000930978872 664782336 /nfs/dbraw/zinc/78/23/36/664782336.db2.gz GRQVILDNRAENKM-UHFFFAOYSA-N 0 3 390.285 2.556 20 30 GFEDHN CN(C)C(=O)CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948978 664844455 /nfs/dbraw/zinc/84/44/55/664844455.db2.gz NIYDQNLNCAIBBZ-DTORHVGOSA-N 0 3 382.295 2.958 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C5(C#N)CCC5)cn4)C[C@@H]3C2)cn1 ZINC001164762206 721129302 /nfs/dbraw/zinc/12/93/02/721129302.db2.gz CNYMDOZLUKUGPI-OALUTQOASA-N 0 3 376.508 2.719 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164766763 721244454 /nfs/dbraw/zinc/24/44/54/721244454.db2.gz VIYWWRPITILFFT-RBUKOAKNSA-N 0 3 376.508 2.524 20 30 GFEDHN N#Cc1c[nH]c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164978460 722124663 /nfs/dbraw/zinc/12/46/63/722124663.db2.gz OQRDYBJUPPSGDE-YLJYHZDGSA-N 0 3 388.475 2.557 20 30 GFEDHN N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1Cl ZINC000121580652 551237529 /nfs/dbraw/zinc/23/75/29/551237529.db2.gz DWRNUJPCMVYCGH-FZKQIMNGSA-N 0 3 379.913 2.849 20 30 GFEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155254691 551495802 /nfs/dbraw/zinc/49/58/02/551495802.db2.gz SQHKARFMLPQERV-LSDHHAIUSA-N 0 3 398.326 2.568 20 30 GFEDHN CN1CCN([C@@H]2CCCCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000191814283 552539061 /nfs/dbraw/zinc/53/90/61/552539061.db2.gz DGZUBJIDVZNCAQ-GOSISDBHSA-N 0 3 391.357 2.923 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]2(C)CCCCN2)nc1C ZINC000237671872 553080746 /nfs/dbraw/zinc/08/07/46/553080746.db2.gz QDKWAYDBJBKTMG-INIZCTEOSA-N 0 3 378.527 2.655 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC000278609546 563263450 /nfs/dbraw/zinc/26/34/50/563263450.db2.gz ISISBMHRLPIXJQ-PXAZEXFGSA-N 0 3 386.286 2.652 20 30 GFEDHN CC(C)N1CCN(C2CCN(c3ncc(Br)cc3C#N)CC2)CC1 ZINC000297392511 563325587 /nfs/dbraw/zinc/32/55/87/563325587.db2.gz FESMWVIRDOLOGU-UHFFFAOYSA-N 0 3 392.345 2.711 20 30 GFEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000298543190 563358889 /nfs/dbraw/zinc/35/88/89/563358889.db2.gz DGHUKWUHPCQTIQ-KRWDZBQOSA-N 0 3 396.329 2.774 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000424092472 563370080 /nfs/dbraw/zinc/37/00/80/563370080.db2.gz GYEOEGFWEVRXIM-CQSZACIVSA-N 0 3 376.258 2.654 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000424170936 563372286 /nfs/dbraw/zinc/37/22/86/563372286.db2.gz LLBDBASKLQEZIA-GFCCVEGCSA-N 0 3 391.640 2.582 20 30 GFEDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330399500 563504148 /nfs/dbraw/zinc/50/41/48/563504148.db2.gz TYPIZRFCZHKPNH-LBPRGKRZSA-N 0 3 375.416 2.539 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429395260 563516213 /nfs/dbraw/zinc/51/62/13/563516213.db2.gz SMLKGOHUEMUVAX-OAHLLOKOSA-N 0 3 380.286 2.674 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1Br ZINC000331402900 563548577 /nfs/dbraw/zinc/54/85/77/563548577.db2.gz HVYKRJDYGSSFFK-AWEZNQCLSA-N 0 3 398.326 2.570 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CCCOCC2)cc1OC ZINC000289554597 563678525 /nfs/dbraw/zinc/67/85/25/563678525.db2.gz XYYDLKWKIPTZGJ-UHFFFAOYSA-N 0 3 399.329 2.834 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000444183492 563823284 /nfs/dbraw/zinc/82/32/84/563823284.db2.gz NGGFALCPJYFAQU-UHFFFAOYSA-N 0 3 390.281 2.671 20 30 GFEDHN N#Cc1ccc([C@H](O)CN2CCC(Cn3cc(Br)cn3)CC2)cc1 ZINC000367788886 563855608 /nfs/dbraw/zinc/85/56/08/563855608.db2.gz ACXCPXVAKWBLLB-GOSISDBHSA-N 0 3 389.297 2.963 20 30 GFEDHN C=CCOc1ccc(CNCCn2cc(Br)ccc2=O)cc1OC ZINC000449374279 564183335 /nfs/dbraw/zinc/18/33/35/564183335.db2.gz FDLCBPKNZHEHNW-UHFFFAOYSA-N 0 3 393.281 2.974 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000451202092 564286528 /nfs/dbraw/zinc/28/65/28/564286528.db2.gz LXJDSHBRNIPZCQ-AWEZNQCLSA-N 0 3 392.297 2.833 20 30 GFEDHN CC[C@@H](CSc1ccccc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000566114407 564310618 /nfs/dbraw/zinc/31/06/18/564310618.db2.gz AFVYHGIPDHKCNJ-INIZCTEOSA-N 0 3 375.519 2.887 20 30 GFEDHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000511032239 564355148 /nfs/dbraw/zinc/35/51/48/564355148.db2.gz RWSVHTHSRXLHMD-ZDUSSCGKSA-N 0 3 375.416 2.730 20 30 GFEDHN CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000452082709 564389823 /nfs/dbraw/zinc/38/98/23/564389823.db2.gz KKSOSGOMKACPOG-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000513423695 564429595 /nfs/dbraw/zinc/42/95/95/564429595.db2.gz OLHPETMRAXUVIC-MRXNPFEDSA-N 0 3 383.945 2.923 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000483460639 564568037 /nfs/dbraw/zinc/56/80/37/564568037.db2.gz QQJSMLURMUNUOG-JTQLQIEISA-N 0 3 375.372 2.836 20 30 GFEDHN COc1cc(CCNCCS(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000591767867 565238677 /nfs/dbraw/zinc/23/86/77/565238677.db2.gz XGMULNDCGLGZEP-UHFFFAOYSA-N 0 3 378.881 2.826 20 30 GFEDHN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN(C2CC2)C1 ZINC000593728784 565358511 /nfs/dbraw/zinc/35/85/11/565358511.db2.gz DZGVNIURACKPFA-ZDUSSCGKSA-N 0 3 376.298 2.806 20 30 GFEDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 ZINC000593728639 565358623 /nfs/dbraw/zinc/35/86/23/565358623.db2.gz AQCQQVHOIJDCAJ-SFHVURJKSA-N 0 3 376.298 2.808 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000594438865 565385169 /nfs/dbraw/zinc/38/51/69/565385169.db2.gz QFTAUQWHTLMEPY-HIFRSBDPSA-N 0 3 379.302 2.555 20 30 GFEDHN CC(C)(C)N1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000597925903 565582398 /nfs/dbraw/zinc/58/23/98/565582398.db2.gz XYOSRHIZYFSMFZ-LBPRGKRZSA-N 0 3 380.286 2.689 20 30 GFEDHN N#Cc1cc(Br)ccc1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000603422356 565905250 /nfs/dbraw/zinc/90/52/50/565905250.db2.gz GPXUQFPQUJDGGO-QGZVFWFLSA-N 0 3 393.329 2.529 20 30 GFEDHN C=CCOCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000679629849 566048016 /nfs/dbraw/zinc/04/80/16/566048016.db2.gz KKSLTQCMWFJYGN-UHFFFAOYSA-N 0 3 384.318 2.725 20 30 GFEDHN C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823910223 607921112 /nfs/dbraw/zinc/92/11/12/607921112.db2.gz ZMPAJEBGNMZINB-UHFFFAOYSA-N 0 3 393.447 2.850 20 30 GFEDHN C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823910223 607921113 /nfs/dbraw/zinc/92/11/13/607921113.db2.gz ZMPAJEBGNMZINB-UHFFFAOYSA-N 0 3 393.447 2.850 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000818609438 660230011 /nfs/dbraw/zinc/23/00/11/660230011.db2.gz WRWWRPLGFDHOTA-UHFFFAOYSA-N 0 3 378.270 2.624 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000836465085 660908490 /nfs/dbraw/zinc/90/84/90/660908490.db2.gz BDRCRCPSQXBCFQ-JCNLHEQBSA-N 0 3 378.314 2.949 20 30 GFEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)C ZINC000122333379 654734455 /nfs/dbraw/zinc/73/44/55/654734455.db2.gz IFVVIHZHWFSVDZ-NHYWBVRUSA-N 0 3 379.869 2.913 20 30 GFEDHN C=C(Br)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068589606 654965953 /nfs/dbraw/zinc/96/59/53/654965953.db2.gz WZTGYPHMBVLTPB-UHFFFAOYSA-N 0 3 376.245 2.947 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000139059465 655044016 /nfs/dbraw/zinc/04/40/16/655044016.db2.gz WKUJHTDLNZUUNI-QGZVFWFLSA-N 0 3 396.329 2.822 20 30 GFEDHN C#CCN1CCC(C(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000115101923 655232409 /nfs/dbraw/zinc/23/24/09/655232409.db2.gz KZQPVSRZSOUEPZ-UHFFFAOYSA-N 0 3 375.310 2.942 20 30 GFEDHN C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182042415 655342182 /nfs/dbraw/zinc/34/21/82/655342182.db2.gz YRSRSWYMZBNMQI-CQSZACIVSA-N 0 3 379.507 2.622 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000193427352 655410239 /nfs/dbraw/zinc/41/02/39/655410239.db2.gz GYWUYXVMGKWTTF-ONGXEEELSA-N 0 3 375.277 2.945 20 30 GFEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000793125462 658361501 /nfs/dbraw/zinc/36/15/01/658361501.db2.gz QEFLULXRFKTLLK-LBPRGKRZSA-N 0 3 381.219 2.591 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000876554615 662862734 /nfs/dbraw/zinc/86/27/34/662862734.db2.gz PWCYYWZJTHUOER-GFCCVEGCSA-N 0 3 377.794 2.962 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)CCC(C)C)nc1C ZINC000876574235 662863081 /nfs/dbraw/zinc/86/30/81/662863081.db2.gz ANJUCWCZLPXUFI-LLVKDONJSA-N 0 3 380.543 2.887 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000876708726 662865151 /nfs/dbraw/zinc/86/51/51/662865151.db2.gz ZBZFCBWSIDMXSG-GFCCVEGCSA-N 0 3 397.228 2.872 20 30 GFEDHN COc1ccc([C@H](C)NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1Br ZINC000884061119 663064396 /nfs/dbraw/zinc/06/43/96/663064396.db2.gz VPCCHSGFFNZAJH-FLLOGLIKSA-N 0 3 392.297 2.774 20 30 GFEDHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884094044 663064893 /nfs/dbraw/zinc/06/48/93/663064893.db2.gz ZPIUOFRSIKJGAX-PBIRYHDKSA-N 0 3 376.298 2.636 20 30 GFEDHN COc1cc(Br)ccc1[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884317939 663068865 /nfs/dbraw/zinc/06/88/65/663068865.db2.gz HOERCDLKCAHATE-HPZFQONSSA-N 0 3 392.297 2.774 20 30 GFEDHN C#CCN(C(=O)[C@H](C)Oc1ccccc1Br)C1CCN(C)CC1 ZINC000886581120 663114340 /nfs/dbraw/zinc/11/43/40/663114340.db2.gz KIRFRYPXJSNACB-AWEZNQCLSA-N 0 3 379.298 2.772 20 30 GFEDHN C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCN(C)CC1 ZINC000886580933 663114362 /nfs/dbraw/zinc/11/43/62/663114362.db2.gz CVRFBEUWQBBZCK-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN C#CCN(C(=O)NCCc1ccc(Br)cc1F)C1CCN(C)CC1 ZINC000917495809 664484911 /nfs/dbraw/zinc/48/49/11/664484911.db2.gz FPQKXUNDNMPCPD-UHFFFAOYSA-N 0 3 396.304 2.870 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000922109913 664586233 /nfs/dbraw/zinc/58/62/33/664586233.db2.gz MDWDRGUQICLGHJ-WMLDXEAASA-N 0 3 379.298 2.978 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)c2ccnn2C)cc1OC ZINC000922977399 664620550 /nfs/dbraw/zinc/62/05/50/664620550.db2.gz YCBPKVSIWYVROS-OAHLLOKOSA-N 0 3 396.285 2.579 20 30 GFEDHN C#CCN(C(=O)NCc1cccc(Br)c1C)C1CCN(C)CC1 ZINC000923117191 664622357 /nfs/dbraw/zinc/62/23/57/664622357.db2.gz NKNLYOOQRJLBAO-UHFFFAOYSA-N 0 3 378.314 2.997 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000932140481 664810886 /nfs/dbraw/zinc/81/08/86/664810886.db2.gz CSNGMEGHFJVSOB-UHFFFAOYSA-N 0 3 380.279 2.954 20 30 GFEDHN N#Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985218 722098502 /nfs/dbraw/zinc/09/85/02/722098502.db2.gz VPAKCSLSLMXSJT-ZWKOTPCHSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(Br)s2)cc1 ZINC000389775253 563521921 /nfs/dbraw/zinc/52/19/21/563521921.db2.gz CFYIOSXSVUHHSS-UHFFFAOYSA-N 0 3 399.335 2.988 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000171728830 551661976 /nfs/dbraw/zinc/66/19/76/551661976.db2.gz MYBNXAWRBZXTGH-UHFFFAOYSA-N 0 3 382.302 2.907 20 30 GFEDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCC1 ZINC000189131688 552464090 /nfs/dbraw/zinc/46/40/90/552464090.db2.gz FSVSGZQPKRXLAP-UHFFFAOYSA-N 0 3 375.416 2.682 20 30 GFEDHN C=CCCOCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000295381353 563244503 /nfs/dbraw/zinc/24/45/03/563244503.db2.gz KMMKXKNZBAWSJS-ZDUSSCGKSA-N 0 3 385.302 2.645 20 30 GFEDHN Cn1ncc(Br)c1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000278856806 563273701 /nfs/dbraw/zinc/27/37/01/563273701.db2.gz XMVMLGFJURNYNL-UHFFFAOYSA-N 0 3 390.285 2.929 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000279410160 563296017 /nfs/dbraw/zinc/29/60/17/563296017.db2.gz BWIYMCYEBQVXFE-UHFFFAOYSA-N 0 3 398.349 2.766 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(N2CCCC2)CC1 ZINC000375082882 563389775 /nfs/dbraw/zinc/38/97/75/563389775.db2.gz WZCAYMRMHJXRKU-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000425096794 563404756 /nfs/dbraw/zinc/40/47/56/563404756.db2.gz GBGAPFOUUSJNMD-UHFFFAOYSA-N 0 3 390.285 2.899 20 30 GFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000285463034 563522297 /nfs/dbraw/zinc/52/22/97/563522297.db2.gz ZLPITCRSNPISDV-GXTWGEPZSA-N 0 3 398.326 2.568 20 30 GFEDHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000408394999 563553910 /nfs/dbraw/zinc/55/39/10/563553910.db2.gz LMIXHVOBVVCMJS-UONOGXRCSA-N 0 3 398.326 2.568 20 30 GFEDHN COCCCN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287166339 563590376 /nfs/dbraw/zinc/59/03/76/563590376.db2.gz JEIQXWSBRFPYNY-UHFFFAOYSA-N 0 3 395.301 2.943 20 30 GFEDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC1 ZINC000332455895 563599772 /nfs/dbraw/zinc/59/97/72/563599772.db2.gz HKKFMQQKLTVAKX-UHFFFAOYSA-N 0 3 375.416 2.682 20 30 GFEDHN Cc1cc(CNCCNS(=O)(=O)c2ccc(Cl)cc2F)ccc1C#N ZINC000441340925 563757909 /nfs/dbraw/zinc/75/79/09/563757909.db2.gz LPCKQVCCIFWOEI-UHFFFAOYSA-N 0 3 381.860 2.727 20 30 GFEDHN C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(C)C[NH+](C)C ZINC000416423545 563827352 /nfs/dbraw/zinc/82/73/52/563827352.db2.gz VLAKQYVOCXYZEK-NSHDSACASA-N 0 3 388.331 2.575 20 30 GFEDHN C=CCSCCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449131980 563906941 /nfs/dbraw/zinc/90/69/41/563906941.db2.gz QUFDKVHFFSVSAH-LBPRGKRZSA-N 0 3 387.343 2.971 20 30 GFEDHN CCN1CCC[C@H]1CN(C)C(=O)COc1cccc(Br)c1C#N ZINC000450028098 564213539 /nfs/dbraw/zinc/21/35/39/564213539.db2.gz ZWRCBLXGFRKKNT-ZDUSSCGKSA-N 0 3 380.286 2.642 20 30 GFEDHN C=CCN(Cc1cccs1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000451016113 564262964 /nfs/dbraw/zinc/26/29/64/564262964.db2.gz QTYNYUUKWFDJAZ-LBPRGKRZSA-N 0 3 385.429 2.950 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000565832328 564297917 /nfs/dbraw/zinc/29/79/17/564297917.db2.gz QVSXZELOEZAANA-QGZVFWFLSA-N 0 3 393.329 2.551 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(I)c1 ZINC000451677652 564339069 /nfs/dbraw/zinc/33/90/69/564339069.db2.gz VHIUMWDXCHPUNG-KGLIPLIRSA-N 0 3 386.233 2.553 20 30 GFEDHN N#CC1(CS(=O)(=O)NCC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000546072555 564442822 /nfs/dbraw/zinc/44/28/22/564442822.db2.gz BUJSSGFTFGNSPF-UHFFFAOYSA-N 0 3 381.567 2.963 20 30 GFEDHN N#CCc1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c(Cl)c1 ZINC000570249456 564498359 /nfs/dbraw/zinc/49/83/59/564498359.db2.gz JLIFFENNSQIPMG-INIZCTEOSA-N 0 3 381.929 2.903 20 30 GFEDHN C=CCN1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000518079790 564546053 /nfs/dbraw/zinc/54/60/53/564546053.db2.gz VPVFMTAJJPLRFY-UHFFFAOYSA-N 0 3 376.263 2.733 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1C#N ZINC000531366541 564908636 /nfs/dbraw/zinc/90/86/36/564908636.db2.gz KGVMZKQGHLXLQW-SFHVURJKSA-N 0 3 376.551 2.720 20 30 GFEDHN CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCN(C)C1 ZINC000592829627 565299638 /nfs/dbraw/zinc/29/96/38/565299638.db2.gz SQJLFHGFILTQOX-AWEZNQCLSA-N 0 3 380.286 2.642 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000594438867 565385301 /nfs/dbraw/zinc/38/53/01/565385301.db2.gz QFTAUQWHTLMEPY-ZFWWWQNUSA-N 0 3 379.302 2.555 20 30 GFEDHN COc1ccc(I)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594431151 565385871 /nfs/dbraw/zinc/38/58/71/565385871.db2.gz IMYAXJKCHSEIQL-LBPRGKRZSA-N 0 3 387.221 2.650 20 30 GFEDHN N#CC1(C[C@H](O)CNCc2cc(F)c(Br)cc2F)CCOCC1 ZINC000600759862 565748563 /nfs/dbraw/zinc/74/85/63/565748563.db2.gz GLIYVJUIUDXDMA-LBPRGKRZSA-N 0 3 389.240 2.888 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c3nccn3c2)CC1 ZINC000630942691 565927884 /nfs/dbraw/zinc/92/78/84/565927884.db2.gz KQEUKBOWDBVGRR-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN Cc1cc(C(C#N)C(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)nc(C)n1 ZINC000737244018 598734282 /nfs/dbraw/zinc/73/42/82/598734282.db2.gz WXNPYNVWDQLSLA-QGZVFWFLSA-N 0 3 391.435 2.699 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)ccc1F ZINC000136375669 655030931 /nfs/dbraw/zinc/03/09/31/655030931.db2.gz PEEUEUSNRYTAAM-CQSZACIVSA-N 0 3 399.260 2.772 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2I)CC1 ZINC000177817962 655289561 /nfs/dbraw/zinc/28/95/61/655289561.db2.gz KJIIOCVZZZFFIJ-UHFFFAOYSA-N 0 3 386.208 2.714 20 30 GFEDHN N#Cc1cnn2cc(CN[C@@H]3CCN(c4ccccc4Br)C3)cnc12 ZINC000580197489 655509996 /nfs/dbraw/zinc/50/99/96/655509996.db2.gz NGAWZLGSRRFMFL-OAHLLOKOSA-N 0 3 397.280 2.732 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(C(=O)OC)C1 ZINC000726606569 655536586 /nfs/dbraw/zinc/53/65/86/655536586.db2.gz KZAUVIMJCJTZJG-OAHLLOKOSA-N 0 3 381.270 2.782 20 30 GFEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)c(F)c1 ZINC000772984898 656396578 /nfs/dbraw/zinc/39/65/78/656396578.db2.gz PABBXOBGVIZYJK-ZAUPALIDSA-N 0 3 382.233 2.765 20 30 GFEDHN CN(C)CCN1c2ccccc2C(=NNc2ccnc(Br)c2)C1=O ZINC000807985227 659872693 /nfs/dbraw/zinc/87/26/93/659872693.db2.gz CREFXTJAHUUFSV-UHFFFAOYSA-N 0 3 388.269 2.569 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2cn(C)nc2Cl)cc1Cl ZINC000815910015 660135405 /nfs/dbraw/zinc/13/54/05/660135405.db2.gz NICWCIFTIUKUQF-LLVKDONJSA-N 0 3 381.219 2.626 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000854664404 661946914 /nfs/dbraw/zinc/94/69/14/661946914.db2.gz SNOREVJMUSWQKE-UHFFFAOYSA-N 0 3 378.314 2.734 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000876558520 662862845 /nfs/dbraw/zinc/86/28/45/662862845.db2.gz RVVRAOODFIVOLA-LBPRGKRZSA-N 0 3 388.693 2.624 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000876607191 662863402 /nfs/dbraw/zinc/86/34/02/662863402.db2.gz QTGCKTJAECSLKV-CABZTGNLSA-N 0 3 389.677 2.867 20 30 GFEDHN C#CC[C@@H](CO)NCc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000883123568 663050132 /nfs/dbraw/zinc/05/01/32/663050132.db2.gz CDWHQVCVJMGQFQ-NSHDSACASA-N 0 3 378.213 2.923 20 30 GFEDHN CCOc1cc(Br)ccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884163720 663066224 /nfs/dbraw/zinc/06/62/24/663066224.db2.gz OCZGGAJJDILJBY-JKGQDXBKSA-N 0 3 378.270 2.926 20 30 GFEDHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884166034 663066435 /nfs/dbraw/zinc/06/64/35/663066435.db2.gz SYLVSHGCHFCHNI-FLLOGLIKSA-N 0 3 394.288 2.775 20 30 GFEDHN COc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc(OC)c1Br ZINC000884322554 663068896 /nfs/dbraw/zinc/06/88/96/663068896.db2.gz PTPAZGQXHNHZGK-VVHFOWEKSA-N 0 3 394.269 2.544 20 30 GFEDHN C#CCN(C(=O)c1nn(C(C)(C)C)cc1Br)C1CCN(C)CC1 ZINC000886573384 663114071 /nfs/dbraw/zinc/11/40/71/663114071.db2.gz HGYYEXJVVCJRDT-UHFFFAOYSA-N 0 3 381.318 2.570 20 30 GFEDHN C#CCN(C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12)C1CCN(C)CC1 ZINC000886572744 663114078 /nfs/dbraw/zinc/11/40/78/663114078.db2.gz YOZZYFIMRPJAPJ-IPMKNSEASA-N 0 3 387.321 2.891 20 30 GFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907187416 664010281 /nfs/dbraw/zinc/01/02/81/664010281.db2.gz MXAWNHMQZPFMIM-LRDDRELGSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000934496451 664908819 /nfs/dbraw/zinc/90/88/19/664908819.db2.gz BGJNTUPCQRCLMU-QZTJIDSGSA-N 0 3 375.266 2.851 20 30 GFEDHN C=CCOc1c(Br)cc(CN(C)CCCC(=O)NC)cc1OC ZINC000093717826 551195802 /nfs/dbraw/zinc/19/58/02/551195802.db2.gz GFXJJRCAMVHGCK-UHFFFAOYSA-N 0 3 385.302 2.981 20 30 GFEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000177666992 552156558 /nfs/dbraw/zinc/15/65/58/552156558.db2.gz QFJQLZLXPGAVFA-ZDUSSCGKSA-N 0 3 375.416 2.682 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000370565662 563248890 /nfs/dbraw/zinc/24/88/90/563248890.db2.gz MRMFMFUUYMRAPQ-KRWDZBQOSA-N 0 3 375.270 2.888 20 30 GFEDHN CN(C)CCOc1cc(CNc2ncc(Br)cc2C#N)ccn1 ZINC000297511579 563328608 /nfs/dbraw/zinc/32/86/08/563328608.db2.gz NVALGKSRYRGEOK-UHFFFAOYSA-N 0 3 376.258 2.663 20 30 GFEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000424092471 563370193 /nfs/dbraw/zinc/37/01/93/563370193.db2.gz GYEOEGFWEVRXIM-AWEZNQCLSA-N 0 3 376.258 2.654 20 30 GFEDHN C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000374651050 563378635 /nfs/dbraw/zinc/37/86/35/563378635.db2.gz ZGLIDCMSFWBUFG-PBHICJAKSA-N 0 3 377.330 2.783 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000283919837 563458935 /nfs/dbraw/zinc/45/89/35/563458935.db2.gz JOFJOSAAVBFYJA-UHFFFAOYSA-N 0 3 381.929 2.659 20 30 GFEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000329209371 563475910 /nfs/dbraw/zinc/47/59/10/563475910.db2.gz YJBQOIDOYXBKDU-QLFBSQMISA-N 0 3 380.286 2.899 20 30 GFEDHN C[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000377978607 563492586 /nfs/dbraw/zinc/49/25/86/563492586.db2.gz TWLIDXLVHSYCHY-RHSMWYFYSA-N 0 3 377.330 2.783 20 30 GFEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000330370675 563502610 /nfs/dbraw/zinc/50/26/10/563502610.db2.gz GATYETONNXLECF-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CS[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1N(C)C ZINC000330834606 563523121 /nfs/dbraw/zinc/52/31/21/563523121.db2.gz WHCCHKSDYKPZDX-OLZOCXBDSA-N 0 3 375.489 3.000 20 30 GFEDHN N#Cc1ccc(Br)c(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411969742 563642659 /nfs/dbraw/zinc/64/26/59/563642659.db2.gz QTUWLAQJHGVURN-IBGZPJMESA-N 0 3 384.277 2.950 20 30 GFEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289713897 563684441 /nfs/dbraw/zinc/68/44/41/563684441.db2.gz IDIPAZMPSNULCJ-UHFFFAOYSA-N 0 3 378.523 2.547 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449841506 564205739 /nfs/dbraw/zinc/20/57/39/564205739.db2.gz AMRCNFSISSHFOB-UHFFFAOYSA-N 0 3 392.297 2.856 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1C#N ZINC000540124309 564240105 /nfs/dbraw/zinc/24/01/05/564240105.db2.gz HSWBDJNWAQTRRY-CVEARBPZSA-N 0 3 376.551 2.670 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000451601898 564330267 /nfs/dbraw/zinc/33/02/67/564330267.db2.gz CFKGGPCUBWZJOP-GDLCADMTSA-N 0 3 386.233 2.551 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882205 564362397 /nfs/dbraw/zinc/36/23/97/564362397.db2.gz CJCHLUYAVOIHAO-XHDPSFHLSA-N 0 3 375.778 2.785 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1 ZINC000483460695 564568506 /nfs/dbraw/zinc/56/85/06/564568506.db2.gz QQJSMLURMUNUOG-SNVBAGLBSA-N 0 3 375.372 2.836 20 30 GFEDHN CN(C)C[C@@H]1CCCCN1C(=O)COc1cccc(Br)c1C#N ZINC000573672057 564648728 /nfs/dbraw/zinc/64/87/28/564648728.db2.gz SIWNKCVNYVMHEZ-ZDUSSCGKSA-N 0 3 380.286 2.642 20 30 GFEDHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882727 564698011 /nfs/dbraw/zinc/69/80/11/564698011.db2.gz PSQQCQZPKBZXLI-CQSZACIVSA-N 0 3 381.274 2.553 20 30 GFEDHN C=CCOCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000525760020 564707420 /nfs/dbraw/zinc/70/74/20/564707420.db2.gz VFODOXSRODVLGE-UHFFFAOYSA-N 0 3 397.313 2.611 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000459718179 564758490 /nfs/dbraw/zinc/75/84/90/564758490.db2.gz SASWELMPDWXMJM-CQSZACIVSA-N 0 3 398.301 2.808 20 30 GFEDHN CN1CCC(CNc2cccc(Br)c2C#N)(N2CCOCC2)CC1 ZINC000582228424 564836182 /nfs/dbraw/zinc/83/61/82/564836182.db2.gz OFMWRWVHLCQLLD-UHFFFAOYSA-N 0 3 393.329 2.529 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H]2CCCNC2=O)cc1OC ZINC000657287933 565095350 /nfs/dbraw/zinc/09/53/50/565095350.db2.gz JAPMDHYQYARVDR-CYBMUJFWSA-N 0 3 383.286 2.638 20 30 GFEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)c1ccc(OC)c(Br)c1 ZINC000593586531 565345057 /nfs/dbraw/zinc/34/50/57/565345057.db2.gz QKKOLVOWSPJBJM-IINYFYTJSA-N 0 3 383.242 2.728 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000594439862 565385624 /nfs/dbraw/zinc/38/56/24/565385624.db2.gz VNXRABDITLECQO-LBPRGKRZSA-N 0 3 378.782 2.660 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000594432003 565385651 /nfs/dbraw/zinc/38/56/51/565385651.db2.gz UVUQRAYDDWZTPG-MRXNPFEDSA-N 0 3 394.313 2.982 20 30 GFEDHN C=CCOCCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000594985737 565439447 /nfs/dbraw/zinc/43/94/47/565439447.db2.gz OJLGSDKSSUFGJD-UHFFFAOYSA-N 0 3 376.194 2.882 20 30 GFEDHN C=CCCSCCN[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000595059815 565445818 /nfs/dbraw/zinc/44/58/18/565445818.db2.gz PFTKSDGUXQOPPA-MRXNPFEDSA-N 0 3 384.567 2.667 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000595962771 565502470 /nfs/dbraw/zinc/50/24/70/565502470.db2.gz FJXCXOWFVGRNLR-AWEZNQCLSA-N 0 3 375.270 2.836 20 30 GFEDHN CN(CCOc1ccc(Br)cc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599260130 565665209 /nfs/dbraw/zinc/66/52/09/565665209.db2.gz AFEHYHCGQPKXKB-MRXNPFEDSA-N 0 3 397.313 2.831 20 30 GFEDHN N#Cc1cccc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)n1 ZINC000602683513 565861949 /nfs/dbraw/zinc/86/19/49/565861949.db2.gz ZWLWYGCKDKBSRY-CYBMUJFWSA-N 0 3 378.245 2.796 20 30 GFEDHN COc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000821814236 599397215 /nfs/dbraw/zinc/39/72/15/599397215.db2.gz YMYGBKUJCDLKBM-UHFFFAOYSA-N 0 3 380.477 2.770 20 30 GFEDHN COc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000821814236 599397218 /nfs/dbraw/zinc/39/72/18/599397218.db2.gz YMYGBKUJCDLKBM-UHFFFAOYSA-N 0 3 380.477 2.770 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000819722565 599541177 /nfs/dbraw/zinc/54/11/77/599541177.db2.gz NAIFWVUTNYCRPF-UHFFFAOYSA-N 0 3 383.887 2.943 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000819722565 599541179 /nfs/dbraw/zinc/54/11/79/599541179.db2.gz NAIFWVUTNYCRPF-UHFFFAOYSA-N 0 3 383.887 2.943 20 30 GFEDHN C#CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000819702008 606784720 /nfs/dbraw/zinc/78/47/20/606784720.db2.gz RDCXWXLKEPPCTO-UHFFFAOYSA-N 0 3 384.509 2.623 20 30 GFEDHN C#CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000819702008 606784721 /nfs/dbraw/zinc/78/47/21/606784721.db2.gz RDCXWXLKEPPCTO-UHFFFAOYSA-N 0 3 384.509 2.623 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826378835 608495082 /nfs/dbraw/zinc/49/50/82/608495082.db2.gz BKPQMTJUTUYWKW-ZDUSSCGKSA-N 0 3 388.416 2.631 20 30 GFEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199621 654862527 /nfs/dbraw/zinc/86/25/27/654862527.db2.gz OGHALCMAESADFA-FZMZJTMJSA-N 0 3 375.416 2.538 20 30 GFEDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000111340043 655169104 /nfs/dbraw/zinc/16/91/04/655169104.db2.gz CBDMIAVYCOEHDP-UHFFFAOYSA-N 0 3 375.416 2.539 20 30 GFEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000194587651 655416409 /nfs/dbraw/zinc/41/64/09/655416409.db2.gz PWXFLRLGBNUXQJ-CQSZACIVSA-N 0 3 375.837 2.999 20 30 GFEDHN N#Cc1c(NC[C@@H](c2cccs2)N2CCCC2)cccc1S(N)(=O)=O ZINC000754961387 655876979 /nfs/dbraw/zinc/87/69/79/655876979.db2.gz MHLUTOHZVZDOSF-HNNXBMFYSA-N 0 3 376.507 2.516 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNC[C@H](CO)c1cccnc1 ZINC000808430955 659894307 /nfs/dbraw/zinc/89/43/07/659894307.db2.gz MOEMGFDVYPCADB-MRXNPFEDSA-N 0 3 375.266 2.722 20 30 GFEDHN C#C[C@H](CC)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000809686348 659936078 /nfs/dbraw/zinc/93/60/78/659936078.db2.gz MSHGOVAVJDIIDD-CQSZACIVSA-N 0 3 397.313 2.816 20 30 GFEDHN C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(CCN3CCSCC3)cc2)C1=O ZINC000864553872 662379773 /nfs/dbraw/zinc/37/97/73/662379773.db2.gz AWRMRRAYECGGNX-INIZCTEOSA-N 0 3 379.913 2.845 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000876636817 662864026 /nfs/dbraw/zinc/86/40/26/662864026.db2.gz DQWRWUPTWGMSRA-NSHDSACASA-N 0 3 377.666 2.552 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000876717925 662865381 /nfs/dbraw/zinc/86/53/81/662865381.db2.gz IROUWVADCYLLQT-ZDUSSCGKSA-N 0 3 376.810 2.655 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000876894561 662867787 /nfs/dbraw/zinc/86/77/87/662867787.db2.gz QHMFDVTXGWECEH-OLZOCXBDSA-N 0 3 376.671 2.685 20 30 GFEDHN N#Cc1cccc(C2(NC[C@@H](O)c3cc(Br)no3)CCOCC2)c1 ZINC000878952362 662911049 /nfs/dbraw/zinc/91/10/49/662911049.db2.gz VCLDSHQFQAKWTF-CQSZACIVSA-N 0 3 392.253 2.638 20 30 GFEDHN CC[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)N(C)C ZINC000885283579 663088211 /nfs/dbraw/zinc/08/82/11/663088211.db2.gz KGOHBHUSKFXPAU-IWSPIJDZSA-N 0 3 382.295 2.956 20 30 GFEDHN CN1CC[C@H]([NH2+][C@@H]2CCCN([O-])C2=O)C[C@H]1c1ccc(Br)cc1 ZINC000895158104 663501456 /nfs/dbraw/zinc/50/14/56/663501456.db2.gz WKBKKUMINUTGKP-XHSDSOJGSA-N 0 3 382.302 2.554 20 30 GFEDHN Cc1cc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)n1 ZINC000896390828 663554783 /nfs/dbraw/zinc/55/47/83/663554783.db2.gz HLHKQHAUHURFSA-BQBZGAKWSA-N 0 3 376.251 2.974 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](N)C[C@H](C)CC)nc1C ZINC000912214416 664276494 /nfs/dbraw/zinc/27/64/94/664276494.db2.gz MIPAKRCEOHWPPT-MWLCHTKSSA-N 0 3 380.543 2.887 20 30 GFEDHN N#Cc1c2c(cnc1N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164866512 721190886 /nfs/dbraw/zinc/19/08/86/721190886.db2.gz BSGZDWHKOYTZPR-PMACEKPBSA-N 0 3 389.503 2.707 20 30 GFEDHN N#Cc1cc2c(nc1N1CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C1)CCC2 ZINC001164981626 722141088 /nfs/dbraw/zinc/14/10/88/722141088.db2.gz PQFCDTHAYWZCOA-UGKGYDQZSA-N 0 3 389.503 2.564 20 30 GFEDHN CN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C1CCCC1 ZINC000157274493 551536051 /nfs/dbraw/zinc/53/60/51/551536051.db2.gz UKBXCYOMXIPQLP-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN Cc1cc(Br)cc(CN2CCC(n3cnc(C#N)n3)CC2)c1O ZINC000373466962 563339684 /nfs/dbraw/zinc/33/96/84/563339684.db2.gz PSRZBIIYSSQBKE-UHFFFAOYSA-N 0 3 376.258 2.763 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000299191840 563377799 /nfs/dbraw/zinc/37/77/99/563377799.db2.gz DDYFSZZSWXFQOT-UHFFFAOYSA-N 0 3 398.276 2.602 20 30 GFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329239175 563476934 /nfs/dbraw/zinc/47/69/34/563476934.db2.gz QDJSXTBLCYJFIV-CABCVRRESA-N 0 3 385.555 2.732 20 30 GFEDHN CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2CN2CCCCC2)s1 ZINC000329850495 563490163 /nfs/dbraw/zinc/49/01/63/563490163.db2.gz SIUWWKCPHJCSRJ-AWEZNQCLSA-N 0 3 385.555 2.516 20 30 GFEDHN CN1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000329962475 563492081 /nfs/dbraw/zinc/49/20/81/563492081.db2.gz PGLODLMUTOOFSH-CABCVRRESA-N 0 3 395.301 2.771 20 30 GFEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330373944 563502651 /nfs/dbraw/zinc/50/26/51/563502651.db2.gz BPYMYKMUXBOJFL-ZDUSSCGKSA-N 0 3 375.416 2.682 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000378430974 563506530 /nfs/dbraw/zinc/50/65/30/563506530.db2.gz VKPFBZQIXGQLDE-SJLPKXTDSA-N 0 3 380.282 2.889 20 30 GFEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000285947224 563543072 /nfs/dbraw/zinc/54/30/72/563543072.db2.gz MMLWOTMPCPQYTK-JTQLQIEISA-N 0 3 377.794 2.968 20 30 GFEDHN CC1CCN(C[C@@H](O)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000331329255 563545879 /nfs/dbraw/zinc/54/58/79/563545879.db2.gz QHWGNNBHURILLM-AWEZNQCLSA-N 0 3 380.286 2.718 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000286382516 563558524 /nfs/dbraw/zinc/55/85/24/563558524.db2.gz CYSJNYCTPFLMDU-UHFFFAOYSA-N 0 3 384.307 2.718 20 30 GFEDHN C[C@@H](Cn1cc(Br)ccc1=O)NCCOc1ccc(C#N)cc1 ZINC000414098288 563719502 /nfs/dbraw/zinc/71/95/02/563719502.db2.gz SHTQRSHDMCUAFS-ZDUSSCGKSA-N 0 3 376.254 2.540 20 30 GFEDHN COc1cc(CNCCNC(=O)c2cccc(Br)c2)ccc1C#N ZINC000440828744 563751127 /nfs/dbraw/zinc/75/11/27/563751127.db2.gz TZTPJFGMDCOTIS-UHFFFAOYSA-N 0 3 388.265 2.849 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414752120 563751773 /nfs/dbraw/zinc/75/17/73/563751773.db2.gz TYUPETAKLFTLCD-CQSZACIVSA-N 0 3 398.320 2.774 20 30 GFEDHN C=CCNC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CCCC1 ZINC000505463099 564183958 /nfs/dbraw/zinc/18/39/58/564183958.db2.gz XDLDDGGMWLHJQL-UHFFFAOYSA-N 0 3 380.286 2.820 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000449818367 564203579 /nfs/dbraw/zinc/20/35/79/564203579.db2.gz DVCRIFVPEJKEBP-CQSZACIVSA-N 0 3 392.297 2.786 20 30 GFEDHN CC(C)N1CCC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450929518 564256253 /nfs/dbraw/zinc/25/62/53/564256253.db2.gz JQKNKXUZGVMFJM-AWEZNQCLSA-N 0 3 380.286 2.689 20 30 GFEDHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000451036314 564265754 /nfs/dbraw/zinc/26/57/54/564265754.db2.gz FGNYJIOPZVLBPL-UHFFFAOYSA-N 0 3 377.897 2.946 20 30 GFEDHN C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[C@@H]1N1CCN(C)CC1 ZINC000566484974 564328632 /nfs/dbraw/zinc/32/86/32/564328632.db2.gz VJIQHMLXUFDIJL-DYVFJYSZSA-N 0 3 395.320 2.922 20 30 GFEDHN CN1CCC[C@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 ZINC000452145706 564396016 /nfs/dbraw/zinc/39/60/16/564396016.db2.gz DMXNYXKTCLQBMD-SFHVURJKSA-N 0 3 392.297 2.644 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSCC(F)(F)F)cc1 ZINC000481003154 564500016 /nfs/dbraw/zinc/50/00/16/564500016.db2.gz UGYCSRKLDRQTQA-JTQLQIEISA-N 0 3 395.428 2.789 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(C(F)(F)F)C2)cc1 ZINC000481034333 564500804 /nfs/dbraw/zinc/50/08/04/564500804.db2.gz LKCSLCYWKAHQHG-GRZMOONWSA-N 0 3 375.372 2.835 20 30 GFEDHN N#Cc1ccc(OCCNC[C@@H](O)COc2ccc(Br)cc2)cc1 ZINC000573477575 564640273 /nfs/dbraw/zinc/64/02/73/564640273.db2.gz HVBAXPNDWMRNKV-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN N#CC1(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CCC1 ZINC000527377845 564741950 /nfs/dbraw/zinc/74/19/50/564741950.db2.gz PZPMJLRINPDXAX-UHFFFAOYSA-N 0 3 392.297 2.607 20 30 GFEDHN N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc([O-])c(Br)c2)cc1 ZINC000579465172 564748350 /nfs/dbraw/zinc/74/83/50/564748350.db2.gz NJCJIZYEJGCQJD-OAHLLOKOSA-N 0 3 391.265 2.750 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2cccc(Br)c2)cc1 ZINC000581543362 564807109 /nfs/dbraw/zinc/80/71/09/564807109.db2.gz DCDMQRHCIDUTBV-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2cccc(Br)c2)cc1 ZINC000581543361 564807203 /nfs/dbraw/zinc/80/72/03/564807203.db2.gz DCDMQRHCIDUTBV-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000581695880 564814759 /nfs/dbraw/zinc/81/47/59/564814759.db2.gz IBAFTNVCGKCECO-GFCCVEGCSA-N 0 3 388.331 2.719 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nscc1Br ZINC000593028692 565308979 /nfs/dbraw/zinc/30/89/79/565308979.db2.gz AOEKCYCVHRYBDE-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000594778948 565420722 /nfs/dbraw/zinc/42/07/22/565420722.db2.gz CDGDFFSRQGGCCR-GOOCMWNKSA-N 0 3 375.519 2.985 20 30 GFEDHN C=CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623491490 565514187 /nfs/dbraw/zinc/51/41/87/565514187.db2.gz WMMFJOOPVUUIAO-MRXNPFEDSA-N 0 3 389.323 2.731 20 30 GFEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597860221 565578035 /nfs/dbraw/zinc/57/80/35/565578035.db2.gz MBXDVHQCFJNLHV-CYBMUJFWSA-N 0 3 380.286 2.689 20 30 GFEDHN Cc1cc(N2CC[C@H](NC[C@@H](O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000600733547 565746449 /nfs/dbraw/zinc/74/64/49/565746449.db2.gz DPBSZNKDJRUFAD-HOCLYGCPSA-N 0 3 392.297 2.507 20 30 GFEDHN C[C@@H](CC1(C#N)CCOCC1)NCCNC(=O)c1ccc(Br)cc1 ZINC000602517968 565853125 /nfs/dbraw/zinc/85/31/25/565853125.db2.gz IKRHNKOXHNHCLF-AWEZNQCLSA-N 0 3 394.313 2.867 20 30 GFEDHN N#Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ncc1Br ZINC000603319941 565898319 /nfs/dbraw/zinc/89/83/19/565898319.db2.gz QODJWFDCFKDWLN-OAHLLOKOSA-N 0 3 379.302 2.797 20 30 GFEDHN C#CCSCC[NH2+]Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735387913 598886967 /nfs/dbraw/zinc/88/69/67/598886967.db2.gz KRIWOEZCJITVBS-UHFFFAOYSA-N 0 3 379.489 2.902 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000735418426 598622789 /nfs/dbraw/zinc/62/27/89/598622789.db2.gz DKKHMHZOBFEKLX-QGZVFWFLSA-N 0 3 387.463 2.826 20 30 GFEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000735418426 598622791 /nfs/dbraw/zinc/62/27/91/598622791.db2.gz DKKHMHZOBFEKLX-QGZVFWFLSA-N 0 3 387.463 2.826 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735398603 598688048 /nfs/dbraw/zinc/68/80/48/598688048.db2.gz KTSQWHCWMOUCBO-UHFFFAOYSA-N 0 3 398.511 2.573 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000819743579 606838870 /nfs/dbraw/zinc/83/88/70/606838870.db2.gz MMCGWRJXXFELBP-SFHVURJKSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000819743579 606838871 /nfs/dbraw/zinc/83/88/71/606838871.db2.gz MMCGWRJXXFELBP-SFHVURJKSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000819743579 606838872 /nfs/dbraw/zinc/83/88/72/606838872.db2.gz MMCGWRJXXFELBP-SFHVURJKSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000819743579 606838873 /nfs/dbraw/zinc/83/88/73/606838873.db2.gz MMCGWRJXXFELBP-SFHVURJKSA-N 0 3 397.527 2.542 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCSc1ccc(Br)cc1 ZINC000171776788 655153835 /nfs/dbraw/zinc/15/38/35/655153835.db2.gz QOLKTJXJDLTIJF-CQSZACIVSA-N 0 3 399.310 2.793 20 30 GFEDHN C[C@@]1(CNS(=O)(=O)c2ccsc2C#N)CCN(Cc2ccccc2)C1 ZINC000845927906 661507275 /nfs/dbraw/zinc/50/72/75/661507275.db2.gz YERAYQGHSRRDFQ-SFHVURJKSA-N 0 3 375.519 2.810 20 30 GFEDHN CO[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1Br ZINC000847625340 661602437 /nfs/dbraw/zinc/60/24/37/661602437.db2.gz JIAJSXFZJGEYLN-BBRMVZONSA-N 0 3 379.254 2.904 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865193766 662403688 /nfs/dbraw/zinc/40/36/88/662403688.db2.gz OTUKGDQCCIIWGQ-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000870310137 662683350 /nfs/dbraw/zinc/68/33/50/662683350.db2.gz TYGWHZKMUIQVMM-FGEZKYSXSA-N 0 3 384.263 2.794 20 30 GFEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000870310136 662683394 /nfs/dbraw/zinc/68/33/94/662683394.db2.gz TYGWHZKMUIQVMM-DVJZZOLTSA-N 0 3 384.263 2.794 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872060793 662755121 /nfs/dbraw/zinc/75/51/21/662755121.db2.gz UDXVJEFYPSRSQS-HOCLYGCPSA-N 0 3 388.327 2.717 20 30 GFEDHN COc1ccc([C@H](C)NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Br ZINC000884061118 663064323 /nfs/dbraw/zinc/06/43/23/663064323.db2.gz VPCCHSGFFNZAJH-BTTVTARESA-N 0 3 392.297 2.774 20 30 GFEDHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884097075 663065126 /nfs/dbraw/zinc/06/51/26/663065126.db2.gz SFPSUUNFGGISPW-ZEJWKSJJSA-N 0 3 376.298 2.636 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3cc(F)cc(Br)c3C1)C2 ZINC000884446291 663070903 /nfs/dbraw/zinc/07/09/03/663070903.db2.gz MUALXYIXFUXMIH-XYEKJYRLSA-N 0 3 392.272 2.612 20 30 GFEDHN CN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CCCN(C)C1 ZINC000932547385 664825256 /nfs/dbraw/zinc/82/52/56/664825256.db2.gz KCVCWUGOHARZLH-LBPRGKRZSA-N 0 3 398.248 2.721 20 30 GFEDHN C=C(Br)CNC1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000963689037 665014443 /nfs/dbraw/zinc/01/44/43/665014443.db2.gz JJWRIWRUODQHGP-UJRUTXDDSA-N 0 3 383.330 2.678 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCCC2 ZINC001164871505 721139471 /nfs/dbraw/zinc/13/94/71/721139471.db2.gz FCAGVHPOTIKKKD-SFTDATJTSA-N 0 3 389.503 2.707 20 30 GFEDHN N#Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccccc12 ZINC001164881116 721140488 /nfs/dbraw/zinc/14/04/88/721140488.db2.gz ZCCROWIFHYVXLP-WOJBJXKFSA-N 0 3 385.471 2.981 20 30 GFEDHN N#Cc1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977328 722111161 /nfs/dbraw/zinc/11/11/61/722111161.db2.gz MOAPSMWKGPGQSB-LPHOPBHVSA-N 0 3 383.883 2.729 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000155965005 551511555 /nfs/dbraw/zinc/51/15/55/551511555.db2.gz NHXDKOCHFDLSOH-UHFFFAOYSA-N 0 3 398.288 2.990 20 30 GFEDHN CC[C@H](CSC)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245949561 553099772 /nfs/dbraw/zinc/09/97/72/553099772.db2.gz WGWDQMKRAXXGLL-HZPDHXFCSA-N 0 3 380.583 2.530 20 30 GFEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246217731 553104255 /nfs/dbraw/zinc/10/42/55/553104255.db2.gz AXUQSQNZZAMLGN-SUMWQHHRSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCN1CC[C@H](NCC2(c3cccc(Br)c3)CCOCC2)C1=O ZINC000280938349 563361793 /nfs/dbraw/zinc/36/17/93/563361793.db2.gz FNMUWEPFGFWGPW-KRWDZBQOSA-N 0 3 393.325 2.874 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000378430975 563506694 /nfs/dbraw/zinc/50/66/94/563506694.db2.gz VKPFBZQIXGQLDE-WMZOPIPTSA-N 0 3 380.282 2.889 20 30 GFEDHN C[C@@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000285630386 563530038 /nfs/dbraw/zinc/53/00/38/563530038.db2.gz ZZBBGCBSSPVTNN-ROUUACIJSA-N 0 3 375.266 2.851 20 30 GFEDHN Cc1cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)sc1Br ZINC000286466037 563560851 /nfs/dbraw/zinc/56/08/51/563560851.db2.gz KQMAMCQNFDKYPZ-QMLLPTRZSA-N 0 3 384.299 2.996 20 30 GFEDHN COc1cc(CN[C@H](C)Cn2cc(Br)ccc2=O)ccc1C#N ZINC000414139061 563720961 /nfs/dbraw/zinc/72/09/61/563720961.db2.gz HGHZZRPTNCCHND-GFCCVEGCSA-N 0 3 376.254 2.669 20 30 GFEDHN COc1cc(CNC[C@@H](O)COc2ccccc2Br)ccc1C#N ZINC000440625794 563745948 /nfs/dbraw/zinc/74/59/48/563745948.db2.gz DQSSBDFMHNVHMV-OAHLLOKOSA-N 0 3 391.265 2.859 20 30 GFEDHN C[N@H+](CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416501183 563840202 /nfs/dbraw/zinc/84/02/02/563840202.db2.gz JYCDPZVFCDDCIW-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C[N@@H+](CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000416501183 563840205 /nfs/dbraw/zinc/84/02/05/563840205.db2.gz JYCDPZVFCDDCIW-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H](CO)[C@H]2CCCO2)cc1OC ZINC000447968676 563892436 /nfs/dbraw/zinc/89/24/36/563892436.db2.gz RDZNBGNJUUHJHK-HUUCEWRRSA-N 0 3 386.286 2.652 20 30 GFEDHN C[C@@H]1CCCCN1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449628998 564193642 /nfs/dbraw/zinc/19/36/42/564193642.db2.gz JVBMTNPDQQDZLY-CYBMUJFWSA-N 0 3 380.286 2.690 20 30 GFEDHN N#Cc1ccc(OCC(=O)N2CCC[C@H]2CN2CCCC2)cc1Br ZINC000449819271 564203837 /nfs/dbraw/zinc/20/38/37/564203837.db2.gz HYMAGMQOUANMEF-HNNXBMFYSA-N 0 3 392.297 2.786 20 30 GFEDHN C[C@H]1C[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449929130 564209530 /nfs/dbraw/zinc/20/95/30/564209530.db2.gz ROZNSTYHJRRMGJ-STQMWFEESA-N 0 3 380.286 2.641 20 30 GFEDHN C[C@@H]1C[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000449929123 564209658 /nfs/dbraw/zinc/20/96/58/564209658.db2.gz ROZNSTYHJRRMGJ-CHWSQXEVSA-N 0 3 380.286 2.641 20 30 GFEDHN CS[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1N1CCCC1 ZINC000450582172 564239423 /nfs/dbraw/zinc/23/94/23/564239423.db2.gz RPHKOGWTHCNGNG-LSDHHAIUSA-N 0 3 394.338 2.973 20 30 GFEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC000508911322 564275912 /nfs/dbraw/zinc/27/59/12/564275912.db2.gz IGBWAHZFVOXRPA-UHFFFAOYSA-N 0 3 391.317 2.754 20 30 GFEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000569568211 564469993 /nfs/dbraw/zinc/46/99/93/564469993.db2.gz HZLARDLRUSTRNI-KRWDZBQOSA-N 0 3 377.897 2.991 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@H]2CCN(CCOC)C2)cc1OC ZINC000520230866 564600180 /nfs/dbraw/zinc/60/01/80/564600180.db2.gz DWVOVGFYSCKEHP-HNNXBMFYSA-N 0 3 399.329 2.833 20 30 GFEDHN Cc1cc(S(=O)(=O)NCCN[C@H]2CCc3ccc(C#N)cc32)c(C)s1 ZINC000574489677 564676270 /nfs/dbraw/zinc/67/62/70/564676270.db2.gz OKCCWQUVCHEILS-KRWDZBQOSA-N 0 3 375.519 2.792 20 30 GFEDHN COc1ccc(Br)c(C(=O)NCCCNC[C@@H](C#N)CCC#N)c1 ZINC000554551466 564765955 /nfs/dbraw/zinc/76/59/55/564765955.db2.gz KMEIFIZVYSLFGZ-CYBMUJFWSA-N 0 3 393.285 2.611 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNCCNc2ncc(Cl)cc2Cl)cc1 ZINC000591726519 565237165 /nfs/dbraw/zinc/23/71/65/565237165.db2.gz DSWHMRJDEAYKSK-CQSZACIVSA-N 0 3 381.263 2.701 20 30 GFEDHN CC[C@H](C#N)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000593478667 565335544 /nfs/dbraw/zinc/33/55/44/565335544.db2.gz NZHDRLRBQMYQRM-CQSZACIVSA-N 0 3 394.313 2.958 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000594431033 565384119 /nfs/dbraw/zinc/38/41/19/565384119.db2.gz GAXYYXAKXCQYRA-JKSUJKDBSA-N 0 3 380.286 2.760 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000594748756 565414514 /nfs/dbraw/zinc/41/45/14/565414514.db2.gz OCFGUYPDJHLULQ-JKSUJKDBSA-N 0 3 375.519 2.987 20 30 GFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)c[nH]c1=O)C(C)C ZINC000621534932 565429121 /nfs/dbraw/zinc/42/91/21/565429121.db2.gz UBZSQGUGOKHBBP-OAHLLOKOSA-N 0 3 382.302 2.978 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000595256976 565459454 /nfs/dbraw/zinc/45/94/54/565459454.db2.gz YTUAPSZJFFWPQN-CVEARBPZSA-N 0 3 380.286 2.760 20 30 GFEDHN C[C@](CO)(NC[C@@H](O)CC1(C#N)CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000599435520 565679363 /nfs/dbraw/zinc/67/93/63/565679363.db2.gz XDIAIBJGZPKSKN-DLBZAZTESA-N 0 3 387.307 2.862 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600737120 565747010 /nfs/dbraw/zinc/74/70/10/565747010.db2.gz UELLEKJZYBPSHA-MRXNPFEDSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNCCOc1cccc(Br)c1 ZINC000600717894 565747283 /nfs/dbraw/zinc/74/72/83/565747283.db2.gz CTDCBOHXWNNJEL-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@H]2C2CC2)cc1 ZINC000602991121 565877655 /nfs/dbraw/zinc/87/76/55/565877655.db2.gz WCJAECRLISWBQE-WBMJQRKESA-N 0 3 379.507 2.732 20 30 GFEDHN COc1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000821813780 599396954 /nfs/dbraw/zinc/39/69/54/599396954.db2.gz MKMWUTLIGSGYKX-UHFFFAOYSA-N 0 3 380.477 2.770 20 30 GFEDHN COc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000821813780 599396957 /nfs/dbraw/zinc/39/69/57/599396957.db2.gz MKMWUTLIGSGYKX-UHFFFAOYSA-N 0 3 380.477 2.770 20 30 GFEDHN C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000823932298 607566907 /nfs/dbraw/zinc/56/69/07/607566907.db2.gz SUEUQXOENHIBAZ-UHFFFAOYSA-N 0 3 381.436 2.739 20 30 GFEDHN C#C[C@H](NC(=O)NC[C@@H]1CCCN1CCOC)c1ccc(Br)cc1 ZINC000836316507 660899327 /nfs/dbraw/zinc/89/93/27/660899327.db2.gz QZDQWHDXSVFHDO-IRXDYDNUSA-N 0 3 394.313 2.533 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000836437163 660905623 /nfs/dbraw/zinc/90/56/23/660905623.db2.gz RJBXDKWIADINSH-XJKSGUPXSA-N 0 3 382.277 2.698 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000836491122 660910500 /nfs/dbraw/zinc/91/05/00/660910500.db2.gz IAAWCSNREDQVOS-MRXNPFEDSA-N 0 3 378.314 2.903 20 30 GFEDHN C#C[C@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(Br)cc1 ZINC000836700640 660933694 /nfs/dbraw/zinc/93/36/94/660933694.db2.gz RDMFFAIVOROXML-HNNXBMFYSA-N 0 3 390.285 2.703 20 30 GFEDHN CCc1cccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000130678769 654891114 /nfs/dbraw/zinc/89/11/14/654891114.db2.gz IYUMFKRETNAORD-UHFFFAOYSA-N 0 3 386.930 2.669 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)N1CCCCC1 ZINC000069715779 654985792 /nfs/dbraw/zinc/98/57/92/654985792.db2.gz OCIYDQYOAJUWEY-UHFFFAOYSA-N 0 3 379.298 2.953 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(Br)cc2C(=O)OCC)CC1 ZINC000157957740 655103654 /nfs/dbraw/zinc/10/36/54/655103654.db2.gz IKZIMZSPNIAAGH-UHFFFAOYSA-N 0 3 393.281 2.910 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173933356 655186447 /nfs/dbraw/zinc/18/64/47/655186447.db2.gz RRGLYNSSPSHWSD-WDEREUQCSA-N 0 3 387.299 2.866 20 30 GFEDHN C=CCNC(=S)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000840833929 661194065 /nfs/dbraw/zinc/19/40/65/661194065.db2.gz RLPBOVMLXDYVTN-UHFFFAOYSA-N 0 3 378.973 2.987 20 30 GFEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCC(F)(F)F)cc1OC ZINC000762026247 656028360 /nfs/dbraw/zinc/02/83/60/656028360.db2.gz UJSRSZJBYZOIHS-SNVBAGLBSA-N 0 3 376.356 2.647 20 30 GFEDHN N#CC(C(=O)Cc1ccccc1I)C(=O)NC1CCCC1 ZINC000796800757 658940000 /nfs/dbraw/zinc/94/00/00/658940000.db2.gz GIFYLRPCJAXYRT-ZDUSSCGKSA-N 0 3 396.228 2.601 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(I)c2)CC1 ZINC000804647770 659665408 /nfs/dbraw/zinc/66/54/08/659665408.db2.gz BTFDJQOLTVETNV-UHFFFAOYSA-N 0 3 382.245 2.883 20 30 GFEDHN CN(C)CCN1c2ccccc2C(=NNc2cncc(Br)c2)C1=O ZINC000807981262 659872338 /nfs/dbraw/zinc/87/23/38/659872338.db2.gz FRUVUWJNXKYNPW-UHFFFAOYSA-N 0 3 388.269 2.569 20 30 GFEDHN Cn1cc(CNC2CCN(Cc3cccc(C#N)c3)CC2)c(Br)n1 ZINC000858185737 662103836 /nfs/dbraw/zinc/10/38/36/662103836.db2.gz HXUWGSSYTVIRFV-UHFFFAOYSA-N 0 3 388.313 2.808 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000876611832 662863448 /nfs/dbraw/zinc/86/34/48/662863448.db2.gz STNFSORQZWDHTB-ZDUSSCGKSA-N 0 3 390.698 2.748 20 30 GFEDHN COCc1c(Br)cccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884100121 663065052 /nfs/dbraw/zinc/06/50/52/663065052.db2.gz JOJTUPAFURGONC-VMBJYNEYSA-N 0 3 378.270 2.673 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(Br)cc1Cl)C2 ZINC000884106142 663065212 /nfs/dbraw/zinc/06/52/12/663065212.db2.gz HXVMXMINOVVXHY-BGMSHATGSA-N 0 3 382.689 2.858 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)Nc1ccc(I)cc1F)C2 ZINC000884402272 663070184 /nfs/dbraw/zinc/07/01/84/663070184.db2.gz OSDKKHBGFFSUGT-VOZQYIJBSA-N 0 3 399.207 2.508 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3cc(F)cc(Br)c3C1)C2 ZINC000884446292 663070932 /nfs/dbraw/zinc/07/09/32/663070932.db2.gz MUALXYIXFUXMIH-YNAXMUEKSA-N 0 3 392.272 2.612 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc(Br)cc(OC)c2)CC1 ZINC000917142067 664477350 /nfs/dbraw/zinc/47/73/50/664477350.db2.gz OOXSBMKUEHJXLD-UHFFFAOYSA-N 0 3 382.302 2.907 20 30 GFEDHN C#CCN(C(=O)C(=O)N[C@H](CC)c1ccc(Cl)s1)C1CCN(C)CC1 ZINC000930181352 664763883 /nfs/dbraw/zinc/76/38/83/664763883.db2.gz GLNGLZHNYAYRNH-CQSZACIVSA-N 0 3 381.929 2.525 20 30 GFEDHN N#Cc1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164986036 722103012 /nfs/dbraw/zinc/10/30/12/722103012.db2.gz XUMQNUXRACBAAM-LPHOPBHVSA-N 0 3 383.883 2.729 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000171716287 551661985 /nfs/dbraw/zinc/66/19/85/551661985.db2.gz SCLKSFHXVDDYMD-UHFFFAOYSA-N 0 3 381.270 2.601 20 30 GFEDHN CS(=O)(=O)CCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000171817134 551664605 /nfs/dbraw/zinc/66/46/05/551664605.db2.gz BMACTTYCLPFRAX-CYBMUJFWSA-N 0 3 380.516 2.764 20 30 GFEDHN CN(CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 ZINC000177656823 552156655 /nfs/dbraw/zinc/15/66/55/552156655.db2.gz XIBRHQBZAYRWDC-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(F)c(Br)c1 ZINC000180878532 552239123 /nfs/dbraw/zinc/23/91/23/552239123.db2.gz BELASGQRWDZZMY-GLTXTHCDSA-N 0 3 382.233 2.765 20 30 GFEDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246371829 553107059 /nfs/dbraw/zinc/10/70/59/553107059.db2.gz HMWCPARRUOOXOI-IAQYHMDHSA-N 0 3 375.416 2.538 20 30 GFEDHN CN1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000369538093 563216114 /nfs/dbraw/zinc/21/61/14/563216114.db2.gz ALOSPXCMHLURJV-WMZOPIPTSA-N 0 3 375.519 2.732 20 30 GFEDHN N#CCCC[C@H](N)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000424110481 563370681 /nfs/dbraw/zinc/37/06/81/563370681.db2.gz CZKSARNKFNKGJW-JTQLQIEISA-N 0 3 379.148 2.529 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)NCc1cc(Br)ccc1Br ZINC000424171344 563372125 /nfs/dbraw/zinc/37/21/25/563372125.db2.gz JFAGTMVNGCZFDG-GFCCVEGCSA-N 0 3 389.091 2.849 20 30 GFEDHN CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329220472 563475836 /nfs/dbraw/zinc/47/58/36/563475836.db2.gz TVBCFTYEWRXTFD-LSDHHAIUSA-N 0 3 385.555 2.732 20 30 GFEDHN CC(C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329561009 563482941 /nfs/dbraw/zinc/48/29/41/563482941.db2.gz JBQZQIFSGPJLAT-QWQRMKEZSA-N 0 3 375.531 2.503 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1Br ZINC000378202553 563498366 /nfs/dbraw/zinc/49/83/66/563498366.db2.gz PTVXCNSZCDHNRL-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000332075876 563574869 /nfs/dbraw/zinc/57/48/69/563574869.db2.gz FZPHTTWXCUVKAE-SWLSCSKDSA-N 0 3 398.326 2.568 20 30 GFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000332075874 563575227 /nfs/dbraw/zinc/57/52/27/563575227.db2.gz FZPHTTWXCUVKAE-IUODEOHRSA-N 0 3 398.326 2.568 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2nc(C3CC3)ncc2Br)CC1 ZINC000291720742 563755910 /nfs/dbraw/zinc/75/59/10/563755910.db2.gz IQCJPDWXEWAWQC-UHFFFAOYSA-N 0 3 379.302 2.887 20 30 GFEDHN CN1CCC[C@H](N2CCN(Cc3cc(C#N)ccc3Br)CC2)C1 ZINC000365189468 563776590 /nfs/dbraw/zinc/77/65/90/563776590.db2.gz CAKCRWJXYVTNNF-KRWDZBQOSA-N 0 3 377.330 2.533 20 30 GFEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000416385926 563821214 /nfs/dbraw/zinc/82/12/14/563821214.db2.gz KBHXBPMRINNXGA-AWEZNQCLSA-N 0 3 398.326 2.616 20 30 GFEDHN COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000367712882 563852841 /nfs/dbraw/zinc/85/28/41/563852841.db2.gz OIMNFPBDEVTJCR-OAHLLOKOSA-N 0 3 377.853 2.819 20 30 GFEDHN CCn1cc(Br)c(=O)c(NC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000471115320 564185674 /nfs/dbraw/zinc/18/56/74/564185674.db2.gz YKUVTSRULKYVFH-AWEZNQCLSA-N 0 3 399.248 2.823 20 30 GFEDHN CCN1CCCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449856040 564205411 /nfs/dbraw/zinc/20/54/11/564205411.db2.gz NMGLKUBJKYVTBH-CQSZACIVSA-N 0 3 380.286 2.690 20 30 GFEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098363 564216573 /nfs/dbraw/zinc/21/65/73/564216573.db2.gz VDTGHHFXXUVWIS-DOMZBBRYSA-N 0 3 380.286 2.544 20 30 GFEDHN CS[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1N(C)C ZINC000539477507 564220859 /nfs/dbraw/zinc/22/08/59/564220859.db2.gz HHCVCFBJWVSZHA-SJORKVTESA-N 0 3 380.945 2.564 20 30 GFEDHN CN1CCC[C@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000452152273 564397035 /nfs/dbraw/zinc/39/70/35/564397035.db2.gz OYZOPSXAVIUJAY-SFHVURJKSA-N 0 3 392.297 2.644 20 30 GFEDHN COc1cc(CNC[C@H](O)COc2cccc(Br)c2)ccc1C#N ZINC000568621750 564427075 /nfs/dbraw/zinc/42/70/75/564427075.db2.gz GVICVMFFKAAVCR-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000571451173 564551770 /nfs/dbraw/zinc/55/17/70/564551770.db2.gz BJLBXFJCYUGCOC-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2nccs2)cc1 ZINC000483566002 564569979 /nfs/dbraw/zinc/56/99/79/564569979.db2.gz VANINEGOOWHDET-GFCCVEGCSA-N 0 3 378.479 2.535 20 30 GFEDHN Cc1cc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1C#N ZINC000573476753 564640545 /nfs/dbraw/zinc/64/05/45/564640545.db2.gz AQCKJCAWNOTZDT-QGZVFWFLSA-N 0 3 375.519 2.871 20 30 GFEDHN CC(C)N1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000457093931 564646289 /nfs/dbraw/zinc/64/62/89/564646289.db2.gz OLATYRXUCUQMPR-CQSZACIVSA-N 0 3 380.286 2.641 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000486669926 564662460 /nfs/dbraw/zinc/66/24/60/564662460.db2.gz INBXBRQMNCLUAT-RISCZKNCSA-N 0 3 384.237 2.670 20 30 GFEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000558479020 564903576 /nfs/dbraw/zinc/90/35/76/564903576.db2.gz GKLSZZBHHGTFAE-GFCCVEGCSA-N 0 3 388.331 2.719 20 30 GFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccsc1C#N ZINC000593562026 565341755 /nfs/dbraw/zinc/34/17/55/565341755.db2.gz QZPDXCQNJCYBKC-GDBMZVCRSA-N 0 3 375.519 2.809 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000594446554 565385607 /nfs/dbraw/zinc/38/56/07/565385607.db2.gz VDGMZDLSYDLFCY-AWEZNQCLSA-N 0 3 395.301 2.635 20 30 GFEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000599428956 565678408 /nfs/dbraw/zinc/67/84/08/565678408.db2.gz NGFZUAUSIDREAI-DZGCQCFKSA-N 0 3 397.313 2.916 20 30 GFEDHN N#CC(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc2cc(F)ccc2s1 ZINC000737674678 598925073 /nfs/dbraw/zinc/92/50/73/598925073.db2.gz XHOHICSDUXCNEJ-GFCCVEGCSA-N 0 3 379.380 2.861 20 30 GFEDHN N#CC(C(=O)Nc1cccnc1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826378862 608494753 /nfs/dbraw/zinc/49/47/53/608494753.db2.gz CFEQVLOPJZJZLT-CQSZACIVSA-N 0 3 388.416 2.631 20 30 GFEDHN C=CCC[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894441 608537701 /nfs/dbraw/zinc/53/77/01/608537701.db2.gz QJDGNJLUJJZZQM-AZUAARDMSA-N 0 3 379.464 2.904 20 30 GFEDHN C#CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000823855971 608583967 /nfs/dbraw/zinc/58/39/67/608583967.db2.gz FRMMHYICKPRWDH-UHFFFAOYSA-N 0 3 388.475 2.591 20 30 GFEDHN C#CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000823855971 608583970 /nfs/dbraw/zinc/58/39/70/608583970.db2.gz FRMMHYICKPRWDH-UHFFFAOYSA-N 0 3 388.475 2.591 20 30 GFEDHN C#CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000823855971 608583971 /nfs/dbraw/zinc/58/39/71/608583971.db2.gz FRMMHYICKPRWDH-UHFFFAOYSA-N 0 3 388.475 2.591 20 30 GFEDHN C#CCOc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000823855971 608583973 /nfs/dbraw/zinc/58/39/73/608583973.db2.gz FRMMHYICKPRWDH-UHFFFAOYSA-N 0 3 388.475 2.591 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)CCNCCSCc2ccnc(Cl)c2)c1 ZINC000819202258 660250058 /nfs/dbraw/zinc/25/00/58/660250058.db2.gz JGEFSSOYFVFSBA-UHFFFAOYSA-N 0 3 395.937 2.903 20 30 GFEDHN COCc1nn(C)cc1C(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835066218 660839979 /nfs/dbraw/zinc/83/99/79/660839979.db2.gz WYNCSKQRUAGGOX-LBPRGKRZSA-N 0 3 381.219 2.834 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000836195547 660894937 /nfs/dbraw/zinc/89/49/37/660894937.db2.gz YMIGSNDMEHLPKF-ZDUSSCGKSA-N 0 3 382.302 2.773 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000836487799 660910176 /nfs/dbraw/zinc/91/01/76/660910176.db2.gz KJGLBVHCNZVTEA-OAHLLOKOSA-N 0 3 380.286 2.527 20 30 GFEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000266199622 654862484 /nfs/dbraw/zinc/86/24/84/654862484.db2.gz OGHALCMAESADFA-RISCZKNCSA-N 0 3 375.416 2.538 20 30 GFEDHN CC(C)(NCC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1 ZINC000065588759 654881436 /nfs/dbraw/zinc/88/14/36/654881436.db2.gz JXWQSCVPAMPOMH-UHFFFAOYSA-N 0 3 377.286 2.930 20 30 GFEDHN N#CC(C(=O)Cc1ccc(I)cc1)C(=O)NC1CCCC1 ZINC000793121659 658361340 /nfs/dbraw/zinc/36/13/40/658361340.db2.gz HZMWMXIMGRRWKV-AWEZNQCLSA-N 0 3 396.228 2.601 20 30 GFEDHN CC[C@@H](Cc1cccc(Br)c1)C(=O)C(C#N)C(=O)NCCCOC ZINC000842284309 661331551 /nfs/dbraw/zinc/33/15/51/661331551.db2.gz HAPOJBCYKWVUIQ-HOCLYGCPSA-N 0 3 395.297 2.879 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000876733335 662865531 /nfs/dbraw/zinc/86/55/31/662865531.db2.gz VSJGSCGJOYRIID-WFASDCNBSA-N 0 3 386.721 2.862 20 30 GFEDHN N#Cc1c(Br)cccc1N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000882814122 663042939 /nfs/dbraw/zinc/04/29/39/663042939.db2.gz DCSBYXAYZIJNDU-UHFFFAOYSA-N 0 3 391.313 2.631 20 30 GFEDHN COc1ccc(Br)cc1CN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884053555 663064226 /nfs/dbraw/zinc/06/42/26/663064226.db2.gz ZTSUIPCQGLFSDB-TXKKKEFDSA-N 0 3 392.297 2.555 20 30 GFEDHN CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885287606 663088821 /nfs/dbraw/zinc/08/88/21/663088821.db2.gz VBLQMQGTEOYUAV-DTORHVGOSA-N 0 3 382.295 2.958 20 30 GFEDHN C#CCN(C(=O)c1ccc(C)c(I)c1)C1CCN(C)CC1 ZINC000886582024 663114357 /nfs/dbraw/zinc/11/43/57/663114357.db2.gz CQOUJVFOLXEHAD-UHFFFAOYSA-N 0 3 396.272 2.769 20 30 GFEDHN O[C@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCOC1 ZINC000932945302 664844088 /nfs/dbraw/zinc/84/40/88/664844088.db2.gz VIFKUDTXTGVJEJ-AEJSXWLSSA-N 0 3 383.279 2.631 20 30 GFEDHN CCCc1cc(C#N)c(N2CCC3(CCCN3CC(=O)NC)CC2)nc1Cl ZINC001164684629 719725515 /nfs/dbraw/zinc/72/55/15/719725515.db2.gz IVSBGJXNPSWIBQ-UHFFFAOYSA-N 0 3 389.931 2.740 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCC2 ZINC001164909218 721553683 /nfs/dbraw/zinc/55/36/83/721553683.db2.gz SZXWWLIBRSCZLU-QUCCMNQESA-N 0 3 378.451 2.923 20 30 GFEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCOC2 ZINC001164907266 721561347 /nfs/dbraw/zinc/56/13/47/721561347.db2.gz NRWQMXAUFIEASM-ICSRJNTNSA-N 0 3 394.450 2.507 20 30 GFEDHN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C=NO)c1 ZINC001164963338 722058201 /nfs/dbraw/zinc/05/82/01/722058201.db2.gz WZMOPRFTGRRTBF-UHFFFAOYSA-N 0 3 395.507 2.712 20 30 GFEDHN N#Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164978182 722102672 /nfs/dbraw/zinc/10/26/72/722102672.db2.gz GBJHUMQWLFTDAB-HKUYNNGSSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164981780 722103149 /nfs/dbraw/zinc/10/31/49/722103149.db2.gz MJMMQWYZORIVIT-QFBILLFUSA-N 0 3 383.883 2.729 20 30 GFEDHN C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CN1CCCC1 ZINC000156615312 551526118 /nfs/dbraw/zinc/52/61/18/551526118.db2.gz HQELFIZWBPDQQN-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN CSc1nsc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000156841644 551529352 /nfs/dbraw/zinc/52/93/52/551529352.db2.gz JIAKTHZNWJZZEP-UHFFFAOYSA-N 0 3 376.511 2.727 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000178329607 552168965 /nfs/dbraw/zinc/16/89/65/552168965.db2.gz DIWKXZFTOZUCKF-UHFFFAOYSA-N 0 3 384.261 2.600 20 30 GFEDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000281696698 563384317 /nfs/dbraw/zinc/38/43/17/563384317.db2.gz ZIYOVYUQEGJFIF-UHFFFAOYSA-N 0 3 375.416 2.683 20 30 GFEDHN CN1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3C#N)CC2)C1 ZINC000376508814 563444607 /nfs/dbraw/zinc/44/46/07/563444607.db2.gz XNDOMMZGULUSJF-GOSISDBHSA-N 0 3 377.330 2.533 20 30 GFEDHN CS[C@@H]1CN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1N1CCCC1 ZINC000330131366 563496392 /nfs/dbraw/zinc/49/63/92/563496392.db2.gz PQWLMJLXOLESHD-CHWSQXEVSA-N 0 3 383.587 2.935 20 30 GFEDHN CS[C@@H]1CN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1N(C)C ZINC000330834603 563523045 /nfs/dbraw/zinc/52/30/45/563523045.db2.gz WHCCHKSDYKPZDX-CHWSQXEVSA-N 0 3 375.489 3.000 20 30 GFEDHN COCCN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287323327 563596275 /nfs/dbraw/zinc/59/62/75/563596275.db2.gz VJELXLOKTYVSFO-UHFFFAOYSA-N 0 3 381.274 2.553 20 30 GFEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2C)n1 ZINC000434567170 563632603 /nfs/dbraw/zinc/63/26/03/563632603.db2.gz PLBTUTRUMVCKHD-SECBINFHSA-N 0 3 382.239 2.911 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000289599732 563680198 /nfs/dbraw/zinc/68/01/98/563680198.db2.gz KTUHRHJGWGZTGQ-CYBMUJFWSA-N 0 3 381.929 2.683 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446036844 563857520 /nfs/dbraw/zinc/85/75/20/563857520.db2.gz MBVCSDGOXBYCKL-OAHLLOKOSA-N 0 3 392.297 2.642 20 30 GFEDHN CN(C)CCOc1ccc(CCNc2ncc(Br)cc2C#N)cc1 ZINC000450312099 564226789 /nfs/dbraw/zinc/22/67/89/564226789.db2.gz GDFCSKSGDGKQOS-UHFFFAOYSA-N 0 3 389.297 2.733 20 30 GFEDHN CS[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1N1CCCC1 ZINC000450582170 564239386 /nfs/dbraw/zinc/23/93/86/564239386.db2.gz RPHKOGWTHCNGNG-GJZGRUSLSA-N 0 3 394.338 2.973 20 30 GFEDHN C=C(C)COCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000570249704 564498055 /nfs/dbraw/zinc/49/80/55/564498055.db2.gz BMKJYZAGTIAWIV-UHFFFAOYSA-N 0 3 376.194 2.882 20 30 GFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCc1nn(C)cc1Br)C(C)C ZINC000455371458 564550811 /nfs/dbraw/zinc/55/08/11/564550811.db2.gz IIGVHWZUTZHXCP-MRXNPFEDSA-N 0 3 398.349 2.680 20 30 GFEDHN CN(C)C[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC000573926395 564661008 /nfs/dbraw/zinc/66/10/08/564661008.db2.gz XYBHFJYDRGFHGM-MRXNPFEDSA-N 0 3 377.897 2.835 20 30 GFEDHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000579650397 564750448 /nfs/dbraw/zinc/75/04/48/564750448.db2.gz AFCILAIJSKMPNO-LBPRGKRZSA-N 0 3 388.331 2.719 20 30 GFEDHN COc1cc(C#N)ccc1OCCN(C)CCn1cc(Br)cn1 ZINC000580626511 564766985 /nfs/dbraw/zinc/76/69/85/564766985.db2.gz YQSHLXNORJJQSU-UHFFFAOYSA-N 0 3 379.258 2.537 20 30 GFEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CCn1cc(Br)cn1 ZINC000554748755 564772910 /nfs/dbraw/zinc/77/29/10/564772910.db2.gz FTJWVZPXPJCSGB-KRWDZBQOSA-N 0 3 394.313 2.746 20 30 GFEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000558480207 564903443 /nfs/dbraw/zinc/90/34/43/564903443.db2.gz BJLBXFJCYUGCOC-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000657835265 565132656 /nfs/dbraw/zinc/13/26/56/565132656.db2.gz PDQIYEIBYWSJOO-DOTOQJQBSA-N 0 3 384.567 2.994 20 30 GFEDHN CC[C@@H](CN1CCCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000590667775 565196139 /nfs/dbraw/zinc/19/61/39/565196139.db2.gz FNWFUUUGNVZELG-AWEZNQCLSA-N 0 3 380.286 2.690 20 30 GFEDHN N[C@@H]1CN(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC[C@H]1F ZINC000659435364 565216496 /nfs/dbraw/zinc/21/64/96/565216496.db2.gz AMTDKEUFRGDQPQ-YJFSRANCSA-N 0 3 379.320 2.977 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198184 565378782 /nfs/dbraw/zinc/37/87/82/565378782.db2.gz SUVMHRJCHAQDSM-IRXDYDNUSA-N 0 3 376.298 2.996 20 30 GFEDHN COCCOc1ccc(Br)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594436065 565385365 /nfs/dbraw/zinc/38/53/65/565385365.db2.gz LIMARGWXCLSMHI-ZDUSSCGKSA-N 0 3 384.274 2.824 20 30 GFEDHN COc1ccc(Br)cc1C1(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594449576 565387159 /nfs/dbraw/zinc/38/71/59/565387159.db2.gz KOQLZCOVLAKPBJ-AWEZNQCLSA-N 0 3 380.286 2.974 20 30 GFEDHN COc1ccc(Br)c(CNC[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600718075 565746937 /nfs/dbraw/zinc/74/69/37/565746937.db2.gz VEEMLYSLANNFST-AWEZNQCLSA-N 0 3 383.286 2.619 20 30 GFEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCN(c3ccncc3)CC2)c1 ZINC000601515692 565789593 /nfs/dbraw/zinc/78/95/93/565789593.db2.gz AVILMFXJADDZBW-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN C=CCN1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630943995 565928101 /nfs/dbraw/zinc/92/81/01/565928101.db2.gz SGDVCTBJMWHDQL-UHFFFAOYSA-N 0 3 375.270 2.773 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000737716341 598918799 /nfs/dbraw/zinc/91/87/99/598918799.db2.gz PLZUYSQIPOLLMT-KRWDZBQOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000737716341 598918801 /nfs/dbraw/zinc/91/88/01/598918801.db2.gz PLZUYSQIPOLLMT-KRWDZBQOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737716341 598918803 /nfs/dbraw/zinc/91/88/03/598918803.db2.gz PLZUYSQIPOLLMT-KRWDZBQOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737716341 598918805 /nfs/dbraw/zinc/91/88/05/598918805.db2.gz PLZUYSQIPOLLMT-KRWDZBQOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#CC(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc2cc(F)ccc2s1 ZINC000737674685 598924961 /nfs/dbraw/zinc/92/49/61/598924961.db2.gz XHOHICSDUXCNEJ-LBPRGKRZSA-N 0 3 379.380 2.861 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC000735418424 598622523 /nfs/dbraw/zinc/62/25/23/598622523.db2.gz DKKHMHZOBFEKLX-KRWDZBQOSA-N 0 3 387.463 2.826 20 30 GFEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC000735418424 598622524 /nfs/dbraw/zinc/62/25/24/598622524.db2.gz DKKHMHZOBFEKLX-KRWDZBQOSA-N 0 3 387.463 2.826 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000819743863 599676739 /nfs/dbraw/zinc/67/67/39/599676739.db2.gz RLOZFCDEWISNAV-UHFFFAOYSA-N 0 3 397.527 2.686 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000819743863 599676740 /nfs/dbraw/zinc/67/67/40/599676740.db2.gz RLOZFCDEWISNAV-UHFFFAOYSA-N 0 3 397.527 2.686 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000818599368 660229714 /nfs/dbraw/zinc/22/97/14/660229714.db2.gz MJBCBNRTLSGHLU-UHFFFAOYSA-N 0 3 383.286 2.541 20 30 GFEDHN CCS(=O)(=O)c1cc(Cl)cc(CNC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000819370268 660256972 /nfs/dbraw/zinc/25/69/72/660256972.db2.gz UQNNTYBFTBFAEU-GOSISDBHSA-N 0 3 378.881 2.828 20 30 GFEDHN C#CCO[C@H](C)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000832870749 660803388 /nfs/dbraw/zinc/80/33/88/660803388.db2.gz PQVNJJAYEDZQMX-OAHLLOKOSA-N 0 3 393.325 2.910 20 30 GFEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1cscc1Br ZINC000815904635 660135223 /nfs/dbraw/zinc/13/52/23/660135223.db2.gz LNENENPBWVKITG-LBPRGKRZSA-N 0 3 387.299 2.693 20 30 GFEDHN C#CCCN(CCOC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000852751478 661873399 /nfs/dbraw/zinc/87/33/99/661873399.db2.gz DXIBGGBIMRRKRJ-CQSZACIVSA-N 0 3 390.705 2.814 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cn2c(n1)COCC2 ZINC000860473988 662202145 /nfs/dbraw/zinc/20/21/45/662202145.db2.gz UPYZKIKRMNIHGV-SNVBAGLBSA-N 0 3 379.203 2.681 20 30 GFEDHN N#Cc1ccccc1OC[C@@H](O)CNC[C@@H](O)c1c(Cl)cccc1Cl ZINC000863561594 662336563 /nfs/dbraw/zinc/33/65/63/662336563.db2.gz GOGOUWNVRBTKEC-XJKSGUPXSA-N 0 3 381.259 2.928 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC000870134488 662675603 /nfs/dbraw/zinc/67/56/03/662675603.db2.gz PWGBBZMNBCORPA-RVKKMQEKSA-N 0 3 393.281 2.588 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000876775378 662866253 /nfs/dbraw/zinc/86/62/53/662866253.db2.gz AITWPQODTMULMW-CMPLNLGQSA-N 0 3 397.228 2.919 20 30 GFEDHN Cc1cc(I)ccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884045213 663064066 /nfs/dbraw/zinc/06/40/66/663064066.db2.gz MHOYXZCBNXWBRC-BWBHSNQOSA-N 0 3 395.244 2.678 20 30 GFEDHN C#CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CCN(C)CC1 ZINC000906451863 663949164 /nfs/dbraw/zinc/94/91/64/663949164.db2.gz JVNPTESSDHRCRH-UHFFFAOYSA-N 0 3 380.242 2.527 20 30 GFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907186933 664010197 /nfs/dbraw/zinc/01/01/97/664010197.db2.gz OIEYFFBWGNNMTO-OCCSQVGLSA-N 0 3 398.326 2.568 20 30 GFEDHN Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)CC3(CC#N)CC3)C2)s1 ZINC000907347474 664026799 /nfs/dbraw/zinc/02/67/99/664026799.db2.gz ROHMODQPFJENHK-INIZCTEOSA-N 0 3 381.567 2.834 20 30 GFEDHN C#CCN(C(=O)NCCSCc1ccnc(Cl)c1)C1CCN(C)CC1 ZINC000921940223 664577654 /nfs/dbraw/zinc/57/76/54/664577654.db2.gz OLVLOFFDPBVYMD-UHFFFAOYSA-N 0 3 380.945 2.707 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(Br)cc1OC)C1CCN(C)CC1 ZINC000922074647 664584382 /nfs/dbraw/zinc/58/43/82/664584382.db2.gz VFOFHBLWJIKDDY-UHFFFAOYSA-N 0 3 394.313 2.697 20 30 GFEDHN N#CCc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164981048 722150375 /nfs/dbraw/zinc/15/03/75/722150375.db2.gz OLBVGLJKRLNNKS-AZUAARDMSA-N 0 3 397.910 2.923 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC000121623190 551238266 /nfs/dbraw/zinc/23/82/66/551238266.db2.gz SCMWTFOOFOBMBV-RDTXWAMCSA-N 0 3 379.913 2.849 20 30 GFEDHN C=C[C@@H](C)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000153697562 551458397 /nfs/dbraw/zinc/45/83/97/551458397.db2.gz PMOVRRQTTISOQW-GFCCVEGCSA-N 0 3 385.302 2.979 20 30 GFEDHN C=C[C@H](C)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000153697453 551458728 /nfs/dbraw/zinc/45/87/28/551458728.db2.gz PMOVRRQTTISOQW-LBPRGKRZSA-N 0 3 385.302 2.979 20 30 GFEDHN C=CCN1CCC(NC(=O)c2c(C)cccc2I)CC1 ZINC000177855421 552159875 /nfs/dbraw/zinc/15/98/75/552159875.db2.gz JDRKAYZPMVAOFO-UHFFFAOYSA-N 0 3 384.261 2.980 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCS[C@H]3COCC[C@H]32)sc2c1CCC2 ZINC000246569088 553110276 /nfs/dbraw/zinc/11/02/76/553110276.db2.gz BQTALMXQDDCWIQ-ZBFHGGJFSA-N 0 3 377.535 2.643 20 30 GFEDHN N#Cc1ncn(C2CCN(CCOc3cc(F)cc(Br)c3)CC2)n1 ZINC000369730038 563223302 /nfs/dbraw/zinc/22/33/02/563223302.db2.gz ODZRAURZDDRWTJ-UHFFFAOYSA-N 0 3 394.248 2.767 20 30 GFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000424090957 563370239 /nfs/dbraw/zinc/37/02/39/563370239.db2.gz CSZWEPVZIFTUES-GJZGRUSLSA-N 0 3 383.279 2.944 20 30 GFEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000425101091 563405341 /nfs/dbraw/zinc/40/53/41/563405341.db2.gz XTEXIUQGWWMCPJ-UHFFFAOYSA-N 0 3 390.285 2.899 20 30 GFEDHN COc1ncc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1Br ZINC000425286666 563417167 /nfs/dbraw/zinc/41/71/67/563417167.db2.gz QOIBJIZWRFIPHR-LLVKDONJSA-N 0 3 390.241 2.661 20 30 GFEDHN CC(C)N1CCN([C@@H]2CCN(Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000376546654 563445953 /nfs/dbraw/zinc/44/59/53/563445953.db2.gz QKGFXTWXNWILED-LJQANCHMSA-N 0 3 391.357 2.921 20 30 GFEDHN CN(CCn1cc(Br)cn1)C(=O)C(C#N)CCc1ccccc1 ZINC000426506155 563452275 /nfs/dbraw/zinc/45/22/75/563452275.db2.gz CLCJYKJWHLGXRN-OAHLLOKOSA-N 0 3 375.270 2.877 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(c3cccc(Br)c3C#N)C2)CC1 ZINC000377979239 563492368 /nfs/dbraw/zinc/49/23/68/563492368.db2.gz WMRSNEZRGWLSRV-OAHLLOKOSA-N 0 3 377.330 2.785 20 30 GFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000285463046 563521988 /nfs/dbraw/zinc/52/19/88/563521988.db2.gz ZLPITCRSNPISDV-OCCSQVGLSA-N 0 3 398.326 2.568 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C ZINC000432945664 563597916 /nfs/dbraw/zinc/59/79/16/563597916.db2.gz UKEGZRFXHCONLK-UHFFFAOYSA-N 0 3 388.331 2.718 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446036843 563857548 /nfs/dbraw/zinc/85/75/48/563857548.db2.gz MBVCSDGOXBYCKL-HNNXBMFYSA-N 0 3 392.297 2.642 20 30 GFEDHN CCN1CCC(N(C)C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449824421 564203712 /nfs/dbraw/zinc/20/37/12/564203712.db2.gz DPTMCOKZMAVWEX-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451686518 564340045 /nfs/dbraw/zinc/34/00/45/564340045.db2.gz GGSPGWQLGXIALH-DZGCQCFKSA-N 0 3 392.297 2.785 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000594431006 565383993 /nfs/dbraw/zinc/38/39/93/565383993.db2.gz FNEPHJLIVIDXAR-JKSUJKDBSA-N 0 3 380.286 2.760 20 30 GFEDHN COC(=O)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Br)cc1 ZINC000594425918 565384657 /nfs/dbraw/zinc/38/46/57/565384657.db2.gz BMOPMBILOYQGTP-GJZGRUSLSA-N 0 3 396.285 2.581 20 30 GFEDHN Cn1cnnc1Sc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594435150 565385416 /nfs/dbraw/zinc/38/54/16/565385416.db2.gz AYZQBEXIEOGCCU-CYBMUJFWSA-N 0 3 378.889 2.969 20 30 GFEDHN COC(=O)c1cc(NC(=O)[C@@H](N)CCCCC#N)cc(Br)c1F ZINC000594456163 565387758 /nfs/dbraw/zinc/38/77/58/565387758.db2.gz KISZUIYMQWZWDC-LBPRGKRZSA-N 0 3 386.221 2.725 20 30 GFEDHN CC#CC[C@@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000641768117 565398281 /nfs/dbraw/zinc/39/82/81/565398281.db2.gz WRHLBPVWZWMTHT-NSHDSACASA-N 0 3 376.092 2.658 20 30 GFEDHN C=CCCSCCN[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000595058738 565445381 /nfs/dbraw/zinc/44/53/81/565445381.db2.gz KLWMOEOHCCJXPT-MRXNPFEDSA-N 0 3 384.567 2.667 20 30 GFEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1ccccc1Br ZINC000602570030 565854789 /nfs/dbraw/zinc/85/47/89/565854789.db2.gz GPKDCEUXOPYJEC-GJZGRUSLSA-N 0 3 397.313 2.877 20 30 GFEDHN CC(C)N1CCN(C2CCN(c3cc(C#N)c(Br)cn3)CC2)CC1 ZINC000603330995 565897664 /nfs/dbraw/zinc/89/76/64/565897664.db2.gz GSUFRAWMABNIHC-UHFFFAOYSA-N 0 3 392.345 2.711 20 30 GFEDHN CN(CCN[C@@H]1CCCc2cc(C#N)ccc21)S(=O)(=O)c1cccs1 ZINC000611394382 566128423 /nfs/dbraw/zinc/12/84/23/566128423.db2.gz GGXXZQBYYROTHM-QGZVFWFLSA-N 0 3 375.519 2.907 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000735418633 598482862 /nfs/dbraw/zinc/48/28/62/598482862.db2.gz HTPXWFLOQNRNQO-CALCHBBNSA-N 0 3 397.527 2.827 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000735418633 598482864 /nfs/dbraw/zinc/48/28/64/598482864.db2.gz HTPXWFLOQNRNQO-CALCHBBNSA-N 0 3 397.527 2.827 20 30 GFEDHN CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823953692 609516219 /nfs/dbraw/zinc/51/62/19/609516219.db2.gz MDEFANWAFPGCAX-HXUWFJFHSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953692 609516222 /nfs/dbraw/zinc/51/62/22/609516222.db2.gz MDEFANWAFPGCAX-HXUWFJFHSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000823953692 609516225 /nfs/dbraw/zinc/51/62/25/609516225.db2.gz MDEFANWAFPGCAX-HXUWFJFHSA-N 0 3 375.480 2.854 20 30 GFEDHN CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823953692 609516227 /nfs/dbraw/zinc/51/62/27/609516227.db2.gz MDEFANWAFPGCAX-HXUWFJFHSA-N 0 3 375.480 2.854 20 30 GFEDHN C#CCN(C)CCCNC(=O)CSCc1ccc(Br)cc1F ZINC000818612322 660230063 /nfs/dbraw/zinc/23/00/63/660230063.db2.gz WGOFELXRYGBCLU-UHFFFAOYSA-N 0 3 387.318 2.893 20 30 GFEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCCN1CCOC)c1ccc(Br)cc1 ZINC000836316504 660899359 /nfs/dbraw/zinc/89/93/59/660899359.db2.gz QZDQWHDXSVFHDO-DLBZAZTESA-N 0 3 394.313 2.533 20 30 GFEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)S(C)(=O)=O ZINC000051156448 654722573 /nfs/dbraw/zinc/72/25/73/654722573.db2.gz DPTMQCFEEJLADM-GFCCVEGCSA-N 0 3 383.882 2.531 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000122332075 654734235 /nfs/dbraw/zinc/73/42/35/654734235.db2.gz PERKORWWGLAWJH-CQSZACIVSA-N 0 3 375.475 2.654 20 30 GFEDHN COCC(=O)N[C@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(C)C ZINC000122333189 654734384 /nfs/dbraw/zinc/73/43/84/654734384.db2.gz IFVVIHZHWFSVDZ-ABAIWWIYSA-N 0 3 379.869 2.913 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2I)CC1 ZINC000264514196 655465371 /nfs/dbraw/zinc/46/53/71/655465371.db2.gz UVOGAECWEBQLJL-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 ZINC000578948022 655489797 /nfs/dbraw/zinc/48/97/97/655489797.db2.gz XIHWDEVUIDVIHZ-LBPRGKRZSA-N 0 3 382.306 2.640 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)CC1 ZINC000762503314 656044608 /nfs/dbraw/zinc/04/46/08/656044608.db2.gz PTCNPNQBIRHRBQ-UHFFFAOYSA-N 0 3 397.244 2.659 20 30 GFEDHN C#C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000775790897 656680666 /nfs/dbraw/zinc/68/06/66/656680666.db2.gz JUHOCNUZXMLBBL-IVMMDQJWSA-N 0 3 388.689 2.613 20 30 GFEDHN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)Cn1cc(Cl)cn1 ZINC000808979973 659911929 /nfs/dbraw/zinc/91/19/29/659911929.db2.gz QCTXOIUXBUDRHZ-NSHDSACASA-N 0 3 381.219 2.855 20 30 GFEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000815082180 660110426 /nfs/dbraw/zinc/11/04/26/660110426.db2.gz CRRKSICKCNDEPQ-UHFFFAOYSA-N 0 3 384.929 2.752 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNC[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000843086003 661367210 /nfs/dbraw/zinc/36/72/10/661367210.db2.gz ZBRFXEIOGDKZKI-GUYCJALGSA-N 0 3 381.259 2.928 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000848398310 661645718 /nfs/dbraw/zinc/64/57/18/661645718.db2.gz SUAHCKOEZUBNTK-JKSUJKDBSA-N 0 3 380.286 2.760 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000877260793 662872604 /nfs/dbraw/zinc/87/26/04/662872604.db2.gz DQPQNOKGEWYUSY-CYBMUJFWSA-N 0 3 385.917 2.804 20 30 GFEDHN N#Cc1cnc(Cl)c(CNC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000877518348 662877796 /nfs/dbraw/zinc/87/77/96/662877796.db2.gz BHIGXRBKWJCFKH-UHFFFAOYSA-N 0 3 378.263 2.983 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCc3c(F)cc(Br)cc3C1)C2 ZINC000884173436 663066457 /nfs/dbraw/zinc/06/64/57/663066457.db2.gz VUNBVRUOFPMDLL-YNAXMUEKSA-N 0 3 392.272 2.612 20 30 GFEDHN C#CCN(C(=S)NCc1ccc(Br)cc1)C1CCN(C)CC1 ZINC000899613633 663696010 /nfs/dbraw/zinc/69/60/10/663696010.db2.gz ITUIIKIBUVFTCG-UHFFFAOYSA-N 0 3 380.355 2.853 20 30 GFEDHN C#CCN(C(=O)NCc1ccc(Br)c(F)c1)C1CCN(C)CC1 ZINC000915349308 664428500 /nfs/dbraw/zinc/42/85/00/664428500.db2.gz TVKUOYHWRNSXHE-UHFFFAOYSA-N 0 3 382.277 2.827 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(Cl)nc2C#N)c2c1CCNC2 ZINC001164681793 719615250 /nfs/dbraw/zinc/61/52/50/719615250.db2.gz ANLBHKWGZZRIEI-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN N#CC1(c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)CCOCC1 ZINC001164726954 720428499 /nfs/dbraw/zinc/42/84/99/720428499.db2.gz CMGQUXKDOLZVPX-NHCUHLMSSA-N 0 3 389.503 2.902 20 30 GFEDHN Cc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1C#N ZINC001164964253 722055789 /nfs/dbraw/zinc/05/57/89/722055789.db2.gz UAIJADXLVGPAGR-UHFFFAOYSA-N 0 3 377.492 2.776 20 30 GFEDHN N#Cc1c[nH]c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164978445 722124429 /nfs/dbraw/zinc/12/44/29/722124429.db2.gz OQRDYBJUPPSGDE-FXAWDEMLSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000175788992 552129193 /nfs/dbraw/zinc/12/91/93/552129193.db2.gz VWUBQNFFNOZNIM-OAHLLOKOSA-N 0 3 384.977 2.983 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C#N)c[nH]1 ZINC000177777529 552158760 /nfs/dbraw/zinc/15/87/60/552158760.db2.gz WEDDETCWFRFURQ-UHFFFAOYSA-N 0 3 375.270 2.853 20 30 GFEDHN C=CCN1CCC(NC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000182736788 552291925 /nfs/dbraw/zinc/29/19/25/552291925.db2.gz JZUBZGSYISHQOB-UHFFFAOYSA-N 0 3 381.318 2.811 20 30 GFEDHN CCN1CCN([C@@H]2CCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000191787789 552537864 /nfs/dbraw/zinc/53/78/64/552537864.db2.gz ADPYJTSZNYCLGY-QGZVFWFLSA-N 0 3 377.330 2.533 20 30 GFEDHN CSCC[C@@H](C)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245924490 553099763 /nfs/dbraw/zinc/09/97/63/553099763.db2.gz YQUJEXJAMCRLSQ-HZPDHXFCSA-N 0 3 380.583 2.530 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(Cl)c1 ZINC000248558419 553131132 /nfs/dbraw/zinc/13/11/32/553131132.db2.gz MABKRHTZRJWVEY-WMLDXEAASA-N 0 3 379.913 2.849 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000296816017 563302943 /nfs/dbraw/zinc/30/29/43/563302943.db2.gz IYKMKDNJNSOQML-INIZCTEOSA-N 0 3 379.302 2.550 20 30 GFEDHN N#Cc1cc(Br)ccc1NCC(=O)NCCN1CCCCCC1 ZINC000431502719 563561531 /nfs/dbraw/zinc/56/15/31/563561531.db2.gz QYFVXNKUGXJZFN-UHFFFAOYSA-N 0 3 379.302 2.725 20 30 GFEDHN N#Cc1c(NC(=O)CCN2CCSC[C@@H]2CCO)sc2c1CCCC2 ZINC000333418175 563631322 /nfs/dbraw/zinc/63/13/22/563631322.db2.gz HPRIDLQOZMUMEP-ZDUSSCGKSA-N 0 3 379.551 2.627 20 30 GFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)CC1 ZINC000362967806 563711284 /nfs/dbraw/zinc/71/12/84/563711284.db2.gz VIJMDMMNAHFDEX-CQSZACIVSA-N 0 3 381.929 2.773 20 30 GFEDHN CN1CCC[C@@H](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000416554666 563847881 /nfs/dbraw/zinc/84/78/81/563847881.db2.gz JYDONQCRXSTQHE-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c(=O)c1Br)C(C)C ZINC000446042847 563857436 /nfs/dbraw/zinc/85/74/36/563857436.db2.gz QDONGCVKHQPZLN-CQSZACIVSA-N 0 3 382.302 2.978 20 30 GFEDHN CN1CCC[C@H](N2CCN(Cc3ccc(C#N)cc3Br)CC2)C1 ZINC000368401964 563870041 /nfs/dbraw/zinc/87/00/41/563870041.db2.gz HWXGCGFRKDSKPK-KRWDZBQOSA-N 0 3 377.330 2.533 20 30 GFEDHN CN(CCC#N)C(=O)CCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000368924259 563881989 /nfs/dbraw/zinc/88/19/89/563881989.db2.gz JHHODDCBTREXTI-HNNXBMFYSA-N 0 3 380.286 2.967 20 30 GFEDHN CCN1CCC[C@@H]1CN(C)C(=O)COc1cccc(Br)c1C#N ZINC000450028096 564213344 /nfs/dbraw/zinc/21/33/44/564213344.db2.gz ZWRCBLXGFRKKNT-CYBMUJFWSA-N 0 3 380.286 2.642 20 30 GFEDHN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCCn1cnc(C#N)n1 ZINC000552341722 564687524 /nfs/dbraw/zinc/68/75/24/564687524.db2.gz UROYSTPVAAZBHV-BMIGLBTASA-N 0 3 378.299 2.985 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000459011891 564728629 /nfs/dbraw/zinc/72/86/29/564728629.db2.gz CEODDEPFKQXEBE-SJORKVTESA-N 0 3 396.329 2.866 20 30 GFEDHN N#Cc1sccc1S(=O)(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000593528241 565337816 /nfs/dbraw/zinc/33/78/16/565337816.db2.gz JBLDPRKZVOJHPU-UHFFFAOYSA-N 0 3 375.519 2.605 20 30 GFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cc2c(cc1Br)OCCO2 ZINC000594428575 565384433 /nfs/dbraw/zinc/38/44/33/565384433.db2.gz NDMANJNWQRWEOC-SMDDNHRTSA-N 0 3 396.285 2.809 20 30 GFEDHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594435100 565385542 /nfs/dbraw/zinc/38/55/42/565385542.db2.gz AMCIOOOIPKOHLT-AWEZNQCLSA-N 0 3 395.301 2.614 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594449587 565387117 /nfs/dbraw/zinc/38/71/17/565387117.db2.gz KVRHGCHOKAKAOA-KRWDZBQOSA-N 0 3 393.329 2.505 20 30 GFEDHN COC(=O)c1cc(NC(=O)[C@H](N)CCCCC#N)cc(Br)c1F ZINC000594456162 565388133 /nfs/dbraw/zinc/38/81/33/565388133.db2.gz KISZUIYMQWZWDC-GFCCVEGCSA-N 0 3 386.221 2.725 20 30 GFEDHN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)[C@@H](N)CCCC#N ZINC000595962445 565502006 /nfs/dbraw/zinc/50/20/06/565502006.db2.gz AMUVVLFOKRCDLO-KCXAZCMYSA-N 0 3 380.286 2.759 20 30 GFEDHN CC[C@@H]1CN(C)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000597605128 565567224 /nfs/dbraw/zinc/56/72/24/565567224.db2.gz MXFSXOPVMZPVNV-CQSZACIVSA-N 0 3 380.286 2.642 20 30 GFEDHN C#CCSCC[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735387779 598886937 /nfs/dbraw/zinc/88/69/37/598886937.db2.gz FTQTXIQZLGZNII-UHFFFAOYSA-N 0 3 379.489 2.902 20 30 GFEDHN C#CCSCC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735387779 598886939 /nfs/dbraw/zinc/88/69/39/598886939.db2.gz FTQTXIQZLGZNII-UHFFFAOYSA-N 0 3 379.489 2.902 20 30 GFEDHN N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737705233 598919091 /nfs/dbraw/zinc/91/90/91/598919091.db2.gz OVAJMQBTCJHKLC-MRXNPFEDSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737705233 598919093 /nfs/dbraw/zinc/91/90/93/598919093.db2.gz OVAJMQBTCJHKLC-MRXNPFEDSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737705233 598919095 /nfs/dbraw/zinc/91/90/95/598919095.db2.gz OVAJMQBTCJHKLC-MRXNPFEDSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737705233 598919097 /nfs/dbraw/zinc/91/90/97/598919097.db2.gz OVAJMQBTCJHKLC-MRXNPFEDSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826384849 608509727 /nfs/dbraw/zinc/50/97/27/608509727.db2.gz LUQJMHGWOZQLNP-UHFFFAOYSA-N 0 3 379.493 2.508 20 30 GFEDHN N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000826384849 608509728 /nfs/dbraw/zinc/50/97/28/608509728.db2.gz LUQJMHGWOZQLNP-UHFFFAOYSA-N 0 3 379.493 2.508 20 30 GFEDHN C=CCC[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894442 608537788 /nfs/dbraw/zinc/53/77/88/608537788.db2.gz QJDGNJLUJJZZQM-ICSRJNTNSA-N 0 3 379.464 2.904 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826386306 608570785 /nfs/dbraw/zinc/57/07/85/608570785.db2.gz YMIIGCUTDPMPSD-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826386306 608570787 /nfs/dbraw/zinc/57/07/87/608570787.db2.gz YMIIGCUTDPMPSD-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cncc(Br)c1 ZINC000047010918 654688884 /nfs/dbraw/zinc/68/88/84/654688884.db2.gz HRHMMHWYEKZAIB-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000129655128 654870331 /nfs/dbraw/zinc/87/03/31/654870331.db2.gz LCPZZHAQVILCIX-SWLSCSKDSA-N 0 3 381.270 2.804 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncc(Br)c1 ZINC000065931252 654890677 /nfs/dbraw/zinc/89/06/77/654890677.db2.gz BOWYBGNEPYIEBW-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C=C(C)COCCNCc1cc(I)c(OC)c(OC)c1 ZINC000134500123 654994401 /nfs/dbraw/zinc/99/44/01/654994401.db2.gz CVLHWEHLLJNDBZ-UHFFFAOYSA-N 0 3 391.249 2.991 20 30 GFEDHN COc1ccc(Br)cc1CC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174013330 655190252 /nfs/dbraw/zinc/19/02/52/655190252.db2.gz SIWWNFNSWKCKTG-ZDUSSCGKSA-N 0 3 388.221 2.743 20 30 GFEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC1CCCCC1 ZINC000262629464 655446426 /nfs/dbraw/zinc/44/64/26/655446426.db2.gz FKUNKZMUWTXCRS-UHFFFAOYSA-N 0 3 393.340 2.509 20 30 GFEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000730919439 655579367 /nfs/dbraw/zinc/57/93/67/655579367.db2.gz DFRWOVMDEITHLG-GFCCVEGCSA-N 0 3 389.260 2.937 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000798818582 659147552 /nfs/dbraw/zinc/14/75/52/659147552.db2.gz YQRMVYHATYDBOS-ZDUSSCGKSA-N 0 3 385.221 2.618 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN(C)C(=O)OC)cc1OC ZINC000850389134 661774025 /nfs/dbraw/zinc/77/40/25/661774025.db2.gz UMUKQCZMMCELSG-UHFFFAOYSA-N 0 3 387.274 2.810 20 30 GFEDHN O=S(=O)(N[C@H]1CNCCC1(F)F)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000866769146 662496273 /nfs/dbraw/zinc/49/62/73/662496273.db2.gz IREIBDNYDKENPP-JTQLQIEISA-N 0 3 394.312 2.616 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000870134489 662675633 /nfs/dbraw/zinc/67/56/33/662675633.db2.gz PWGBBZMNBCORPA-VKJFTORMSA-N 0 3 393.281 2.588 20 30 GFEDHN COc1ccc(Br)cc1CN(C)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884053554 663064273 /nfs/dbraw/zinc/06/42/73/663064273.db2.gz ZTSUIPCQGLFSDB-FVRSWCFKSA-N 0 3 392.297 2.555 20 30 GFEDHN CN(CCc1ccc(Br)cc1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884122378 663065532 /nfs/dbraw/zinc/06/55/32/663065532.db2.gz OQPXZCUXHOJYIQ-CSLYMUCUSA-N 0 3 376.298 2.589 20 30 GFEDHN C#CCN(C(=O)c1cc2cc(Br)cnc2n1C)C1CCN(C)CC1 ZINC000886571002 663113922 /nfs/dbraw/zinc/11/39/22/663113922.db2.gz FRORUDSJUDBUKP-UHFFFAOYSA-N 0 3 389.297 2.505 20 30 GFEDHN C#C[C@@H](N[C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000894669127 663475526 /nfs/dbraw/zinc/47/55/26/663475526.db2.gz QKSPWKBSZLOWRV-SUMWQHHRSA-N 0 3 399.354 2.773 20 30 GFEDHN C#CCN(C(=O)NCCNc1ncc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000914125175 664378174 /nfs/dbraw/zinc/37/81/74/664378174.db2.gz ZYWRZSPYVPRGNX-UHFFFAOYSA-N 0 3 384.311 2.539 20 30 GFEDHN C[C@@](CO)(NC[C@H](O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000934496456 664908831 /nfs/dbraw/zinc/90/88/31/664908831.db2.gz BGJNTUPCQRCLMU-ROUUACIJSA-N 0 3 375.266 2.851 20 30 GFEDHN CNC(=O)CN1CCCC12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164689308 719752239 /nfs/dbraw/zinc/75/22/39/719752239.db2.gz AGAYLXFROBHINE-UHFFFAOYSA-N 0 3 397.910 2.941 20 30 GFEDHN N#CCc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164981107 722150192 /nfs/dbraw/zinc/15/01/92/722150192.db2.gz OLBVGLJKRLNNKS-QUCCMNQESA-N 0 3 397.910 2.923 20 30 GFEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000056055798 551176279 /nfs/dbraw/zinc/17/62/79/551176279.db2.gz FOPWVIUVMOODLW-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1Cl ZINC000121623365 551238076 /nfs/dbraw/zinc/23/80/76/551238076.db2.gz SCMWTFOOFOBMBV-KDOFPFPSSA-N 0 3 379.913 2.849 20 30 GFEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000121715451 551240856 /nfs/dbraw/zinc/24/08/56/551240856.db2.gz AXUQSQNZZAMLGN-CXAGYDPISA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000171731436 551661818 /nfs/dbraw/zinc/66/18/18/551661818.db2.gz NCLWSGBBNFSZLR-UHFFFAOYSA-N 0 3 382.302 2.907 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@]2(O)CCOC2)cc1OCC ZINC000179020001 552182135 /nfs/dbraw/zinc/18/21/35/552182135.db2.gz NTYCSEPZQUIYHW-KRWDZBQOSA-N 0 3 386.286 2.654 20 30 GFEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)COc1ncccc1Br ZINC000180395982 552225216 /nfs/dbraw/zinc/22/52/16/552225216.db2.gz GDPRQKRKZDYUDI-CYBMUJFWSA-N 0 3 397.317 2.599 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000188110274 552435602 /nfs/dbraw/zinc/43/56/02/552435602.db2.gz GZGSLZVDRRCSSB-UHFFFAOYSA-N 0 3 394.313 2.771 20 30 GFEDHN N#Cc1ccc(Br)c(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000191792972 552538438 /nfs/dbraw/zinc/53/84/38/552538438.db2.gz HPBQLMZBTTUYID-UHFFFAOYSA-N 0 3 378.314 2.865 20 30 GFEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000297635956 563331939 /nfs/dbraw/zinc/33/19/39/563331939.db2.gz LMOZUQVKNWZPDK-QGZVFWFLSA-N 0 3 396.329 2.774 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000424111704 563370731 /nfs/dbraw/zinc/37/07/31/563370731.db2.gz HARCXLSAPOWPBO-INIZCTEOSA-N 0 3 394.313 2.635 20 30 GFEDHN O=C(CCN1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cccc(Br)c1 ZINC000330096937 563495618 /nfs/dbraw/zinc/49/56/18/563495618.db2.gz AEFQQQLJDJDSFC-LBPRGKRZSA-N 0 3 381.230 2.504 20 30 GFEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433292596 563608208 /nfs/dbraw/zinc/60/82/08/563608208.db2.gz XZXQKGNOKOIXDX-UKRRQHHQSA-N 0 3 394.313 2.714 20 30 GFEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)COc2cccc(Br)c2C#N)C1 ZINC000333568360 563636204 /nfs/dbraw/zinc/63/62/04/563636204.db2.gz PHWLDDLALUHXQE-CZUORRHYSA-N 0 3 392.297 2.642 20 30 GFEDHN Cc1nn(C)c(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1Br ZINC000289975295 563692927 /nfs/dbraw/zinc/69/29/27/563692927.db2.gz ZKZILJRXGZILGM-UHFFFAOYSA-N 0 3 390.329 2.927 20 30 GFEDHN COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000367712881 563853009 /nfs/dbraw/zinc/85/30/09/563853009.db2.gz OIMNFPBDEVTJCR-HNNXBMFYSA-N 0 3 377.853 2.819 20 30 GFEDHN COC1CCN(C(C)(C)CNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448940378 563903403 /nfs/dbraw/zinc/90/34/03/563903403.db2.gz ZNYUYNMKHMJVSG-UHFFFAOYSA-N 0 3 394.313 2.940 20 30 GFEDHN C=CCC[C@@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000449702731 564197900 /nfs/dbraw/zinc/19/79/00/564197900.db2.gz ZTWMAPIUTXUHED-LBPRGKRZSA-N 0 3 391.249 2.725 20 30 GFEDHN C[C@@H]1CCCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000449636205 564193263 /nfs/dbraw/zinc/19/32/63/564193263.db2.gz ZMOSUZLLUZUBTQ-CYBMUJFWSA-N 0 3 380.286 2.548 20 30 GFEDHN CN(C)Cc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)cc1 ZINC000451009670 564262155 /nfs/dbraw/zinc/26/21/55/564262155.db2.gz QNTLSZKSENVFCE-UHFFFAOYSA-N 0 3 377.897 2.946 20 30 GFEDHN C=CCN(Cc1ccccc1)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000451041233 564267208 /nfs/dbraw/zinc/26/72/08/564267208.db2.gz SRSKAONKJUBYQL-AWEZNQCLSA-N 0 3 379.400 2.889 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000483562452 564570352 /nfs/dbraw/zinc/57/03/52/564570352.db2.gz NIWVCAHWYCEXNY-NSHDSACASA-N 0 3 378.841 2.742 20 30 GFEDHN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000550434965 564623968 /nfs/dbraw/zinc/62/39/68/564623968.db2.gz CVPAQCPXYNHGRF-HNNXBMFYSA-N 0 3 398.326 2.570 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)[C@@H]2CCCO2)cc1OC ZINC000527759132 564759695 /nfs/dbraw/zinc/75/96/95/564759695.db2.gz NNNKTLJILNMMAR-CABCVRRESA-N 0 3 386.286 2.652 20 30 GFEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CCn1cc(Br)cn1 ZINC000554748757 564772642 /nfs/dbraw/zinc/77/26/42/564772642.db2.gz FTJWVZPXPJCSGB-QGZVFWFLSA-N 0 3 394.313 2.746 20 30 GFEDHN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)C(C)C#N)C1=O ZINC000561377760 564993116 /nfs/dbraw/zinc/99/31/16/564993116.db2.gz FYYCBYBKAZFHOM-JSGCOSHPSA-N 0 3 378.270 2.837 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000594445232 565385406 /nfs/dbraw/zinc/38/54/06/565385406.db2.gz INYJUEHJLGWTHD-HUUCEWRRSA-N 0 3 383.279 2.626 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000594439700 565385587 /nfs/dbraw/zinc/38/55/87/565385587.db2.gz YQYKZMQSYKHPFG-HOCLYGCPSA-N 0 3 379.302 2.555 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000594456354 565388251 /nfs/dbraw/zinc/38/82/51/565388251.db2.gz MSRAWSBLBCDRNQ-ZDUSSCGKSA-N 0 3 392.257 2.527 20 30 GFEDHN CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCN(CC)C1 ZINC000598039807 565589238 /nfs/dbraw/zinc/58/92/38/565589238.db2.gz NKAAYNZWYRHFCZ-ZDUSSCGKSA-N 0 3 380.286 2.642 20 30 GFEDHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000647304001 565655481 /nfs/dbraw/zinc/65/54/81/565655481.db2.gz SOLBXSMQFGNAHY-UWVGGRQHSA-N 0 3 394.312 2.703 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000599398774 565676204 /nfs/dbraw/zinc/67/62/04/565676204.db2.gz CXNWVUKXZLHZBL-BBRMVZONSA-N 0 3 395.297 2.934 20 30 GFEDHN CN1CCCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000599416730 565677121 /nfs/dbraw/zinc/67/71/21/565677121.db2.gz XJCSONZKMKMAQM-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(c2ccncc2)CC1 ZINC000601523266 565789077 /nfs/dbraw/zinc/78/90/77/565789077.db2.gz TZNIQAPIPHWOOP-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN C=C(C)CN1CCC(Nc2ccc(Br)c(C(=O)OCC)n2)CC1 ZINC000603290997 565895258 /nfs/dbraw/zinc/89/52/58/565895258.db2.gz LEYNWPWYDDXGHD-UHFFFAOYSA-N 0 3 382.302 2.895 20 30 GFEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1(O)CCSCC1 ZINC000656693368 566155750 /nfs/dbraw/zinc/15/57/50/566155750.db2.gz FAXYGOFAMFBORV-UHFFFAOYSA-N 0 3 382.599 2.843 20 30 GFEDHN CN1C(=O)C[C@@H](CNCc2ccc(C#N)o2)[C@@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000511066776 570299930 /nfs/dbraw/zinc/29/99/30/570299930.db2.gz WVHYEKIBHDOTIL-LHSJRXKWSA-N 0 3 393.422 2.785 20 30 GFEDHN C#CCOc1ccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823856222 608679856 /nfs/dbraw/zinc/67/98/56/608679856.db2.gz MZMMTBDDAZTJJM-UHFFFAOYSA-N 0 3 389.459 2.922 20 30 GFEDHN CC1(C)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[S@]1=O ZINC000832026511 660747737 /nfs/dbraw/zinc/74/77/37/660747737.db2.gz VVVBXZIUIBBSFI-YMXBGEKHSA-N 0 3 375.519 2.706 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cccc(F)c1Br ZINC000835057390 660839675 /nfs/dbraw/zinc/83/96/75/660839675.db2.gz BNUNNBFWTNJGPK-CYBMUJFWSA-N 0 3 399.260 2.772 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)Cc1cc(OC)ccc1Br ZINC000836490291 660910439 /nfs/dbraw/zinc/91/04/39/660910439.db2.gz SCWJTLZOMKNGFS-UHFFFAOYSA-N 0 3 382.302 2.554 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000125172742 654788970 /nfs/dbraw/zinc/78/89/70/654788970.db2.gz CJNAHLMFPXDRIH-FZMZJTMJSA-N 0 3 399.310 2.791 20 30 GFEDHN C#CCOc1ccccc1CNC[C@@H](O)COc1ccccc1Br ZINC000131031844 654895854 /nfs/dbraw/zinc/89/58/54/654895854.db2.gz HQOGPVPKFHKJRP-MRXNPFEDSA-N 0 3 390.277 2.991 20 30 GFEDHN C=CCOc1c(Br)cc(CN[C@](C)(CCO)COC)cc1OC ZINC000267361967 654925545 /nfs/dbraw/zinc/92/55/45/654925545.db2.gz ODCLQGXFGJOBFZ-QGZVFWFLSA-N 0 3 388.302 2.900 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000838623777 661051334 /nfs/dbraw/zinc/05/13/34/661051334.db2.gz MHTBNIDWKBAPFK-MRXNPFEDSA-N 0 3 394.313 2.869 20 30 GFEDHN C=C(Br)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000154764678 655078242 /nfs/dbraw/zinc/07/82/42/655078242.db2.gz ZPRHNELGFRMGFV-QGZVFWFLSA-N 0 3 379.346 2.824 20 30 GFEDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000275590304 655243299 /nfs/dbraw/zinc/24/32/99/655243299.db2.gz JGFFRHASUHHZCO-UHFFFAOYSA-N 0 3 375.416 2.682 20 30 GFEDHN CN(C)[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)c1ccc(Cl)cc1 ZINC000755001463 655878223 /nfs/dbraw/zinc/87/82/23/655878223.db2.gz GIHDPBUCCPWBMA-INIZCTEOSA-N 0 3 378.885 2.574 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000813058887 660041424 /nfs/dbraw/zinc/04/14/24/660041424.db2.gz PEHBOHIWRCDQPC-DGCLKSJQSA-N 0 3 399.260 2.943 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000876552126 662862715 /nfs/dbraw/zinc/86/27/15/662862715.db2.gz JZAGXXGYMAMHKM-ZDUSSCGKSA-N 0 3 394.324 2.779 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C(=O)OC)cc1OCC(F)(F)F ZINC000876640171 662864035 /nfs/dbraw/zinc/86/40/35/662864035.db2.gz MCXKTOADCMUPDC-SNVBAGLBSA-N 0 3 380.750 2.823 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000876712541 662865223 /nfs/dbraw/zinc/86/52/23/662865223.db2.gz ITRTUSQZNLYJJS-LBPRGKRZSA-N 0 3 388.693 2.694 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000876982317 662869234 /nfs/dbraw/zinc/86/92/34/662869234.db2.gz XXWNJGKENBIKMY-MRVPVSSYSA-N 0 3 393.690 2.609 20 30 GFEDHN N#Cc1cnc(Cl)c(CNCCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000877496511 662877164 /nfs/dbraw/zinc/87/71/64/662877164.db2.gz UJHDIXHGTKWNCW-UHFFFAOYSA-N 0 3 399.303 2.718 20 30 GFEDHN N#Cc1cccc(C2(NC[C@H](O)c3cc(Br)no3)CCOCC2)c1 ZINC000878952361 662911002 /nfs/dbraw/zinc/91/10/02/662911002.db2.gz VCLDSHQFQAKWTF-AWEZNQCLSA-N 0 3 392.253 2.638 20 30 GFEDHN N#Cc1ccc([C@H](O)CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cc1 ZINC000880218096 662954997 /nfs/dbraw/zinc/95/49/97/662954997.db2.gz GRSBKPPBHIUCON-QRVBRYPASA-N 0 3 387.277 2.994 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@H]2C#N)c1cccc(Br)c1 ZINC000884118387 663065523 /nfs/dbraw/zinc/06/55/23/663065523.db2.gz FJVHTNIQHMKTCR-SHBDPFAUSA-N 0 3 390.325 2.982 20 30 GFEDHN COc1cc(C)c(Br)cc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884320654 663068878 /nfs/dbraw/zinc/06/88/78/663068878.db2.gz VVFLGMVWKYHKNL-JKGQDXBKSA-N 0 3 378.270 2.844 20 30 GFEDHN N#CC1(C[C@@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274270 663106608 /nfs/dbraw/zinc/10/66/08/663106608.db2.gz PTTHDNWODKYMON-HUUCEWRRSA-N 0 3 380.286 2.742 20 30 GFEDHN C#CCN(C(=O)c1ccc2cncc(Br)c2n1)C1CCN(C)CC1 ZINC000886572265 663113908 /nfs/dbraw/zinc/11/39/08/663113908.db2.gz FIGPYRAOONJBAP-UHFFFAOYSA-N 0 3 387.281 2.562 20 30 GFEDHN C#CCN(C(=O)[C@@H](C)Oc1ccccc1Br)C1CCN(C)CC1 ZINC000886581121 663114271 /nfs/dbraw/zinc/11/42/71/663114271.db2.gz KIRFRYPXJSNACB-CQSZACIVSA-N 0 3 379.298 2.772 20 30 GFEDHN N#CC1CCC(CN2CCC(n3nncc3I)CC2)CC1 ZINC000931014934 664782865 /nfs/dbraw/zinc/78/28/65/664782865.db2.gz KKINGOUQGUTTFH-UHFFFAOYSA-N 0 3 399.280 2.850 20 30 GFEDHN Cn1cc(CN2CC[C@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@@H]3C2)cn1 ZINC001164766759 721242979 /nfs/dbraw/zinc/24/29/79/721242979.db2.gz VIYWWRPITILFFT-OALUTQOASA-N 0 3 376.508 2.524 20 30 GFEDHN N#Cc1c[nH]c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164978456 722124407 /nfs/dbraw/zinc/12/44/07/722124407.db2.gz OQRDYBJUPPSGDE-XLIONFOSSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121097398 551227329 /nfs/dbraw/zinc/22/73/29/551227329.db2.gz GGKPOZCPRMLTKQ-ZDUSSCGKSA-N 0 3 387.933 2.815 20 30 GFEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)COc1ncccc1Br ZINC000180393995 552225170 /nfs/dbraw/zinc/22/51/70/552225170.db2.gz LKMMYOCZRMLVTQ-KRWDZBQOSA-N 0 3 397.317 2.646 20 30 GFEDHN C#CCN1CCC(C(=O)NCCCc2ccc(Br)cc2OC)CC1 ZINC000183239597 552303674 /nfs/dbraw/zinc/30/36/74/552303674.db2.gz ZUTQHPXUKQQLHQ-UHFFFAOYSA-N 0 3 393.325 2.852 20 30 GFEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000246041842 553101452 /nfs/dbraw/zinc/10/14/52/553101452.db2.gz BGONOIQETCNLNF-SMDDNHRTSA-N 0 3 375.416 2.538 20 30 GFEDHN C[C@@H]1CN(CCCNC(=O)c2ccc(Br)cc2C#N)CCCO1 ZINC000295235132 563237485 /nfs/dbraw/zinc/23/74/85/563237485.db2.gz ZOYBANJSFDPKFC-CYBMUJFWSA-N 0 3 380.286 2.551 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 ZINC000278732439 563268082 /nfs/dbraw/zinc/26/80/82/563268082.db2.gz VWMFFXINFPHVOS-NSHDSACASA-N 0 3 378.479 2.886 20 30 GFEDHN C=CCN1CCC(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000281752517 563386472 /nfs/dbraw/zinc/38/64/72/563386472.db2.gz BVPUISTWBOENIS-OAHLLOKOSA-N 0 3 398.276 2.971 20 30 GFEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000329209368 563475820 /nfs/dbraw/zinc/47/58/20/563475820.db2.gz YJBQOIDOYXBKDU-ILXRZTDVSA-N 0 3 380.286 2.899 20 30 GFEDHN C=C(C)CN1CCC(NCc2ncc(I)s2)CC1 ZINC000286753191 563573309 /nfs/dbraw/zinc/57/33/09/563573309.db2.gz YXQIKORELKEVKR-UHFFFAOYSA-N 0 3 377.295 2.878 20 30 GFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000286890608 563578874 /nfs/dbraw/zinc/57/88/74/563578874.db2.gz ZZDDEFUIXUBYKS-LRDDRELGSA-N 0 3 398.326 2.568 20 30 GFEDHN CCN1CCCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449855219 564205765 /nfs/dbraw/zinc/20/57/65/564205765.db2.gz KTKCNJCCAHLGBI-ZDUSSCGKSA-N 0 3 380.286 2.690 20 30 GFEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098365 564216584 /nfs/dbraw/zinc/21/65/84/564216584.db2.gz VDTGHHFXXUVWIS-SWLSCSKDSA-N 0 3 380.286 2.544 20 30 GFEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@](C)(O)C(F)(F)F ZINC000541901693 564293478 /nfs/dbraw/zinc/29/34/78/564293478.db2.gz UZSMWUBPLCHSMA-HNNXBMFYSA-N 0 3 378.464 2.898 20 30 GFEDHN CCN1CCN(CC(C)(C)NCc2ccc(Br)cc2C#N)CC1 ZINC000451990700 564377069 /nfs/dbraw/zinc/37/70/69/564377069.db2.gz RTEKCSRFVABKTI-UHFFFAOYSA-N 0 3 379.346 2.826 20 30 GFEDHN C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN(C2CC2)C1 ZINC000452159546 564397165 /nfs/dbraw/zinc/39/71/65/564397165.db2.gz AAVIWVMNOVBTEC-ZDUSSCGKSA-N 0 3 392.297 2.642 20 30 GFEDHN N#Cc1ccc(OC[C@@H](O)CNCc2cc(F)cc(Br)c2)cc1 ZINC000556061138 564811361 /nfs/dbraw/zinc/81/13/61/564811361.db2.gz RCFNMWVGMPGFRM-INIZCTEOSA-N 0 3 379.229 2.989 20 30 GFEDHN C=CCCOCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000581755683 564816925 /nfs/dbraw/zinc/81/69/25/564816925.db2.gz ZEMJORCXLIRNDR-UHFFFAOYSA-N 0 3 376.194 2.882 20 30 GFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)cc1C#N ZINC000593079375 565311228 /nfs/dbraw/zinc/31/12/28/565311228.db2.gz CIXJWJLTFHPMCZ-SJORKVTESA-N 0 3 376.298 2.948 20 30 GFEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)c1ccc(OC)c(Br)c1 ZINC000593586530 565344874 /nfs/dbraw/zinc/34/48/74/565344874.db2.gz QKKOLVOWSPJBJM-HZMBPMFUSA-N 0 3 383.242 2.728 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000594438861 565385154 /nfs/dbraw/zinc/38/51/54/565385154.db2.gz QFTAUQWHTLMEPY-DZGCQCFKSA-N 0 3 379.302 2.555 20 30 GFEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000594747123 565413790 /nfs/dbraw/zinc/41/37/90/565413790.db2.gz CPJFBGCIKWSJQZ-CQSZACIVSA-N 0 3 375.519 2.844 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000595120841 565449937 /nfs/dbraw/zinc/44/99/37/565449937.db2.gz YDHRZPCUOSMLNB-NVXWUHKLSA-N 0 3 375.881 2.636 20 30 GFEDHN N#Cc1cc(Br)ccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595587934 565483903 /nfs/dbraw/zinc/48/39/03/565483903.db2.gz HTFDQQUSFUEWOC-QGZVFWFLSA-N 0 3 379.298 2.978 20 30 GFEDHN CN(CCN1CCN(c2nc(C#N)c(Cl)s2)CC1)Cc1ccccc1 ZINC000596113226 565514178 /nfs/dbraw/zinc/51/41/78/565514178.db2.gz QRYLGMPPTZUFQP-UHFFFAOYSA-N 0 3 375.929 2.922 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNCCOc1ccc(Br)cc1 ZINC000600721414 565746461 /nfs/dbraw/zinc/74/64/61/565746461.db2.gz MDAJYCDZVNGKNK-MRXNPFEDSA-N 0 3 391.265 2.729 20 30 GFEDHN Cn1ncc(Br)c1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000601144202 565768208 /nfs/dbraw/zinc/76/82/08/565768208.db2.gz QPZLSCJVNNTDLZ-UHFFFAOYSA-N 0 3 388.313 2.808 20 30 GFEDHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H](N)CCCCC#N ZINC000602580667 565856711 /nfs/dbraw/zinc/85/67/11/565856711.db2.gz YJPCPPUAZGZTFH-GOEBONIOSA-N 0 3 388.295 2.603 20 30 GFEDHN N#Cc1cc(Br)ccc1CC(=O)N1CCCN(c2ccncc2)CC1 ZINC000603084955 565884523 /nfs/dbraw/zinc/88/45/23/565884523.db2.gz YTDAJIGSDBXMFI-UHFFFAOYSA-N 0 3 399.292 2.997 20 30 GFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823888275 608427097 /nfs/dbraw/zinc/42/70/97/608427097.db2.gz IOMBSHAKPKAVOA-QGZVFWFLSA-N 0 3 379.464 2.720 20 30 GFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823888275 608427098 /nfs/dbraw/zinc/42/70/98/608427098.db2.gz IOMBSHAKPKAVOA-QGZVFWFLSA-N 0 3 379.464 2.720 20 30 GFEDHN CC(C)(CCC#N)C[NH+]1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824152987 608659162 /nfs/dbraw/zinc/65/91/62/608659162.db2.gz WTMFWLVJOXBYLI-UHFFFAOYSA-N 0 3 381.484 2.847 20 30 GFEDHN CC(C)(CCC#N)C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824152987 608659166 /nfs/dbraw/zinc/65/91/66/608659166.db2.gz WTMFWLVJOXBYLI-UHFFFAOYSA-N 0 3 381.484 2.847 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553626 609139577 /nfs/dbraw/zinc/13/95/77/609139577.db2.gz DTUYMXWVEXTWGZ-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824553626 609139578 /nfs/dbraw/zinc/13/95/78/609139578.db2.gz DTUYMXWVEXTWGZ-ZDUSSCGKSA-N 0 3 392.442 2.592 20 30 GFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(Br)n(C)n2)cc1 ZINC000835062145 660839846 /nfs/dbraw/zinc/83/98/46/660839846.db2.gz MHYGTJNKKAUTAP-LBPRGKRZSA-N 0 3 375.226 2.706 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000266328910 654872567 /nfs/dbraw/zinc/87/25/67/654872567.db2.gz JMHWWQIIAQYLOO-CQSZACIVSA-N 0 3 379.298 2.678 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(I)cc2C)CC1 ZINC000067704295 654943314 /nfs/dbraw/zinc/94/33/14/654943314.db2.gz YZMIKOXGRLBKHM-UHFFFAOYSA-N 0 3 382.245 2.883 20 30 GFEDHN C=CCOc1c(Br)cc(CN(CCO)CCCO)cc1OCC ZINC000271207539 655070496 /nfs/dbraw/zinc/07/04/96/655070496.db2.gz WNEWIVAFGUWGEA-UHFFFAOYSA-N 0 3 388.302 2.589 20 30 GFEDHN CCOc1cc(CNCCCC#N)cc(Br)c1OCC(=O)N(C)C ZINC000273033689 655128285 /nfs/dbraw/zinc/12/82/85/655128285.db2.gz GVIAVFWSFBTUQX-UHFFFAOYSA-N 0 3 398.301 2.708 20 30 GFEDHN CC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000171566895 655152569 /nfs/dbraw/zinc/15/25/69/655152569.db2.gz CZYAPFWMUWNTAU-ABAIWWIYSA-N 0 3 382.247 2.899 20 30 GFEDHN C#CCOc1ccc(Br)cc1CN[C@H]1CCN(C(=O)OCC)C1 ZINC000769938150 656301646 /nfs/dbraw/zinc/30/16/46/656301646.db2.gz CJWIJGGERYCOPJ-HNNXBMFYSA-N 0 3 381.270 2.782 20 30 GFEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000793123087 658361476 /nfs/dbraw/zinc/36/14/76/658361476.db2.gz FAOORCNTAIKIBJ-AWEZNQCLSA-N 0 3 381.219 2.591 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000813058888 660041386 /nfs/dbraw/zinc/04/13/86/660041386.db2.gz PEHBOHIWRCDQPC-WCQYABFASA-N 0 3 399.260 2.943 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000876737785 662865689 /nfs/dbraw/zinc/86/56/89/662865689.db2.gz VACVBMAZNULKCH-IUODEOHRSA-N 0 3 386.721 2.862 20 30 GFEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000882767790 663041027 /nfs/dbraw/zinc/04/10/27/663041027.db2.gz CFGNBKKRMJIZCL-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN C[C@H](Cc1ccccc1Br)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884165941 663066266 /nfs/dbraw/zinc/06/62/66/663066266.db2.gz RCWQURMMMZMBPX-JHSBQLIOSA-N 0 3 376.298 2.636 20 30 GFEDHN N#CC1(C[C@H](O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000886274271 663106663 /nfs/dbraw/zinc/10/66/63/663106663.db2.gz PTTHDNWODKYMON-LSDHHAIUSA-N 0 3 380.286 2.742 20 30 GFEDHN C#CCN(C(=O)c1c(C)nc2ccc(Br)cn21)C1CCN(C)CC1 ZINC000886577596 663114085 /nfs/dbraw/zinc/11/40/85/663114085.db2.gz OYMBSULOXIRDEM-UHFFFAOYSA-N 0 3 389.297 2.575 20 30 GFEDHN C=C(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000900590723 663717584 /nfs/dbraw/zinc/71/75/84/663717584.db2.gz MZCWOYZYGITWRJ-UHFFFAOYSA-N 0 3 379.404 2.523 20 30 GFEDHN C#CCN(C(=O)NCCc1ccccc1Br)C1CCN(C)CC1 ZINC000915425217 664430626 /nfs/dbraw/zinc/43/06/26/664430626.db2.gz FLWWHKRCUZCWMF-UHFFFAOYSA-N 0 3 378.314 2.731 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H](O)c2ccnn2C)cc1OC ZINC000922977398 664620458 /nfs/dbraw/zinc/62/04/58/664620458.db2.gz YCBPKVSIWYVROS-HNNXBMFYSA-N 0 3 396.285 2.579 20 30 GFEDHN CC(C)(O)C[C@H](O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945399 664844265 /nfs/dbraw/zinc/84/42/65/664844265.db2.gz WOIQJLBQHOXHJX-DJLDLDEBSA-N 0 3 385.295 2.611 20 30 GFEDHN CC(C)N(C)Cc1nn(C(F)(F)c2ccnc(Cl)c2C#N)c2c1CCNC2 ZINC001164684156 719606737 /nfs/dbraw/zinc/60/67/37/719606737.db2.gz MPPGRWARUNDSFG-UHFFFAOYSA-N 0 3 394.857 2.887 20 30 GFEDHN N#Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccccc12 ZINC001164881111 721140219 /nfs/dbraw/zinc/14/02/19/721140219.db2.gz ZCCROWIFHYVXLP-PMACEKPBSA-N 0 3 385.471 2.981 20 30 GFEDHN N#Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985215 722098512 /nfs/dbraw/zinc/09/85/12/722098512.db2.gz VPAKCSLSLMXSJT-QZTJIDSGSA-N 0 3 383.883 2.729 20 30 GFEDHN N#Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164978187 722102376 /nfs/dbraw/zinc/10/23/76/722102376.db2.gz GBJHUMQWLFTDAB-PKOBYXMFSA-N 0 3 383.883 2.729 20 30 GFEDHN CCN1CCC[C@@H](CN(C)C(=O)NC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000328617932 521614889 /nfs/dbraw/zinc/61/48/89/521614889.db2.gz DFJMILWYDRMWLG-YTQUADARSA-N 0 3 377.533 2.608 20 30 GFEDHN C=CCN1CCC(NC(=O)NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000171725618 551662154 /nfs/dbraw/zinc/66/21/54/551662154.db2.gz CMYSZKCNWURHEP-UHFFFAOYSA-N 0 3 396.285 2.627 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000172349788 551677226 /nfs/dbraw/zinc/67/72/26/551677226.db2.gz ZLTOPWYQROFEIF-UHFFFAOYSA-N 0 3 390.281 2.671 20 30 GFEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)c1cc(C#N)cn1C ZINC000177360120 552154003 /nfs/dbraw/zinc/15/40/03/552154003.db2.gz AEFZLDWIQCMENB-UHFFFAOYSA-N 0 3 389.297 2.863 20 30 GFEDHN C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000180037685 552210442 /nfs/dbraw/zinc/21/04/42/552210442.db2.gz QGGLEMOYHQLOMG-JTQLQIEISA-N 0 3 377.794 2.968 20 30 GFEDHN CSCC[C@H](C)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183190537 552302772 /nfs/dbraw/zinc/30/27/72/552302772.db2.gz YQUJEXJAMCRLSQ-HOTGVXAUSA-N 0 3 380.583 2.530 20 30 GFEDHN CSCC[C@H](C)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245924495 553099894 /nfs/dbraw/zinc/09/98/94/553099894.db2.gz YQUJEXJAMCRLSQ-JKSUJKDBSA-N 0 3 380.583 2.530 20 30 GFEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246217722 553104612 /nfs/dbraw/zinc/10/46/12/553104612.db2.gz AXUQSQNZZAMLGN-GUYCJALGSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000297988251 563341433 /nfs/dbraw/zinc/34/14/33/563341433.db2.gz ZTZHGBUNABIGSV-CQSZACIVSA-N 0 3 383.945 2.716 20 30 GFEDHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195094 563373222 /nfs/dbraw/zinc/37/32/22/563373222.db2.gz CICIFWFKZKOTDT-TYNCELHUSA-N 0 3 380.286 2.744 20 30 GFEDHN C[C@@H]1CCCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1 ZINC000328960904 563469153 /nfs/dbraw/zinc/46/91/53/563469153.db2.gz KNWONRBKFQBPMV-HUUCEWRRSA-N 0 3 385.555 2.590 20 30 GFEDHN CCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000331232683 563541325 /nfs/dbraw/zinc/54/13/25/563541325.db2.gz IXFYNMATMKODOR-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CN(C)C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCCC1 ZINC000331277886 563543745 /nfs/dbraw/zinc/54/37/45/563543745.db2.gz PGCFLNBYUXIIDN-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2nccs2)cc1 ZINC000289560639 563678875 /nfs/dbraw/zinc/67/88/75/563678875.db2.gz CRCVMFBQXRGLGF-GFCCVEGCSA-N 0 3 378.479 2.583 20 30 GFEDHN COc1cc(CN[C@@H](C)Cn2cc(Br)ccc2=O)ccc1C#N ZINC000414139065 563720919 /nfs/dbraw/zinc/72/09/19/563720919.db2.gz HGHZZRPTNCCHND-LBPRGKRZSA-N 0 3 376.254 2.669 20 30 GFEDHN CC(C)N1CCN([C@@H]2CCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000365192498 563777322 /nfs/dbraw/zinc/77/73/22/563777322.db2.gz XBKXCKHFYQSRTB-GOSISDBHSA-N 0 3 391.357 2.921 20 30 GFEDHN C#CCN(C)CCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000294057361 563830994 /nfs/dbraw/zinc/83/09/94/563830994.db2.gz UUJHUFICDGQJOR-UHFFFAOYSA-N 0 3 393.325 2.569 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000294464056 563842931 /nfs/dbraw/zinc/84/29/31/563842931.db2.gz CIZACCBSBBAIFZ-UHFFFAOYSA-N 0 3 383.286 2.847 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000448816155 563901489 /nfs/dbraw/zinc/90/14/89/563901489.db2.gz MSZLDUNQIPXLNB-SJORKVTESA-N 0 3 381.314 2.930 20 30 GFEDHN C[C@H]1CN(CCCCNC(=O)c2cccc(C#N)c2Br)C[C@H](C)O1 ZINC000450121308 564218523 /nfs/dbraw/zinc/21/85/23/564218523.db2.gz IVTRBIILLZURTE-KBPBESRZSA-N 0 3 394.313 2.940 20 30 GFEDHN CN(C)C1(CN(C)C(=O)COc2cccc(Br)c2C#N)CCC1 ZINC000451017591 564263841 /nfs/dbraw/zinc/26/38/41/564263841.db2.gz VMLRJXALSMSZCW-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000451601899 564330125 /nfs/dbraw/zinc/33/01/25/564330125.db2.gz CFKGGPCUBWZJOP-HONMWMINSA-N 0 3 386.233 2.551 20 30 GFEDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451686521 564340308 /nfs/dbraw/zinc/34/03/08/564340308.db2.gz GGSPGWQLGXIALH-ZFWWWQNUSA-N 0 3 392.297 2.785 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882195 564362256 /nfs/dbraw/zinc/36/22/56/564362256.db2.gz CJCHLUYAVOIHAO-ABAIWWIYSA-N 0 3 375.778 2.785 20 30 GFEDHN CC#CCCNCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000482130799 564535138 /nfs/dbraw/zinc/53/51/38/564535138.db2.gz WEDWPXWQGHNPRY-UHFFFAOYSA-N 0 3 397.313 2.818 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000576271518 564710765 /nfs/dbraw/zinc/71/07/65/564710765.db2.gz DRCBLNCHFMSDPZ-DOTOQJQBSA-N 0 3 380.330 2.868 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000576505275 564714495 /nfs/dbraw/zinc/71/44/95/564714495.db2.gz FCUMQEMAJXPSFQ-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000530422441 564880382 /nfs/dbraw/zinc/88/03/82/564880382.db2.gz IUVNBHPDNCSDHI-UHFFFAOYSA-N 0 3 380.279 2.954 20 30 GFEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101666 565314131 /nfs/dbraw/zinc/31/41/31/565314131.db2.gz QYWAKGLJYVCSSU-WMLDXEAASA-N 0 3 376.298 2.806 20 30 GFEDHN C[C@H](NS(=O)(=O)c1ccsc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593571410 565343065 /nfs/dbraw/zinc/34/30/65/565343065.db2.gz HUEUMOWSQRZBOG-GOEBONIOSA-N 0 3 375.519 2.809 20 30 GFEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000595406027 565475134 /nfs/dbraw/zinc/47/51/34/565475134.db2.gz GJPMREBNYJTSCU-FGTMMUONSA-N 0 3 378.314 2.935 20 30 GFEDHN CCN1CCN(CCNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000596073039 565511565 /nfs/dbraw/zinc/51/15/65/565511565.db2.gz CXKRXMDIAUXHLC-UHFFFAOYSA-N 0 3 388.313 2.918 20 30 GFEDHN CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCN(CC)C1 ZINC000598039805 565589430 /nfs/dbraw/zinc/58/94/30/565589430.db2.gz NKAAYNZWYRHFCZ-CYBMUJFWSA-N 0 3 380.286 2.642 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000668835865 565668954 /nfs/dbraw/zinc/66/89/54/565668954.db2.gz LJJQRCZKKHKCFN-UHFFFAOYSA-N 0 3 384.307 2.766 20 30 GFEDHN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCN(C)C ZINC000601449033 565785336 /nfs/dbraw/zinc/78/53/36/565785336.db2.gz MXBHHQOFPZCCGU-CYBMUJFWSA-N 0 3 377.432 2.701 20 30 GFEDHN N#Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000737716389 598925502 /nfs/dbraw/zinc/92/55/02/598925502.db2.gz QKKMGBJCVBHRFA-UHFFFAOYSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000737716389 598925503 /nfs/dbraw/zinc/92/55/03/598925503.db2.gz QKKMGBJCVBHRFA-UHFFFAOYSA-N 0 3 387.447 2.589 20 30 GFEDHN c1ccc2c(N=NC3CC[NH+](Cc4ccc(-c5nnn[n-]5)cc4)CC3)ccnc2c1 ZINC000738435863 598393530 /nfs/dbraw/zinc/39/35/30/598393530.db2.gz CPMVKEWOBOWOJW-UHFFFAOYSA-N 0 3 398.474 2.901 20 30 GFEDHN C#C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)c1ccc(Br)cc1 ZINC000836700642 660933465 /nfs/dbraw/zinc/93/34/65/660933465.db2.gz RDMFFAIVOROXML-OAHLLOKOSA-N 0 3 390.285 2.703 20 30 GFEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000266269506 654867794 /nfs/dbraw/zinc/86/77/94/654867794.db2.gz GJFOQAIPTCKHLS-ZDUSSCGKSA-N 0 3 375.416 2.682 20 30 GFEDHN CC(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000129665064 654871093 /nfs/dbraw/zinc/87/10/93/654871093.db2.gz YFFGJKMNRKTIIH-ZDUSSCGKSA-N 0 3 382.247 2.899 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc(I)ccc2F)CC1 ZINC000268559190 654977976 /nfs/dbraw/zinc/97/79/76/654977976.db2.gz OXZDKFDPUWUTBS-UHFFFAOYSA-N 0 3 388.224 2.811 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000139059379 655044027 /nfs/dbraw/zinc/04/40/27/655044027.db2.gz WKUJHTDLNZUUNI-KRWDZBQOSA-N 0 3 396.329 2.822 20 30 GFEDHN O=C(NCCN[C@@H]1CCc2c1cc(Br)cc2F)C1N=CC=CC1=O ZINC000271452288 655081707 /nfs/dbraw/zinc/08/17/07/655081707.db2.gz IKGCLGIJOGFSAH-UPTRSRDDSA-N 0 3 394.244 2.692 20 30 GFEDHN CC(C)NC(=O)C(C#N)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000173984361 655187994 /nfs/dbraw/zinc/18/79/94/655187994.db2.gz TVCSJQVBFHDONG-SNVBAGLBSA-N 0 3 376.766 2.789 20 30 GFEDHN C[C@]1(CNS(=O)(=O)c2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000310921558 655379257 /nfs/dbraw/zinc/37/92/57/655379257.db2.gz RHGVAEBXOLTCHU-GOSISDBHSA-N 0 3 375.519 2.810 20 30 GFEDHN C#CCN1CCC(C(=O)NCc2cc3cccnc3cc2Br)CC1 ZINC000771489118 656350838 /nfs/dbraw/zinc/35/08/38/656350838.db2.gz CFKZEJKVJDKTPA-UHFFFAOYSA-N 0 3 386.293 2.959 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000773914417 656477761 /nfs/dbraw/zinc/47/77/61/656477761.db2.gz UXYCAIGIPLBABC-KBXCAEBGSA-N 0 3 393.325 2.987 20 30 GFEDHN C#C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000775790898 656680547 /nfs/dbraw/zinc/68/05/47/656680547.db2.gz JUHOCNUZXMLBBL-NOLJZWGESA-N 0 3 388.689 2.613 20 30 GFEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000786931461 657490981 /nfs/dbraw/zinc/49/09/81/657490981.db2.gz XYYMTJMARFEBLL-RULNRJAQSA-N 0 3 382.247 2.932 20 30 GFEDHN CCN(Cc1cccc(Br)c1)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884080439 663064679 /nfs/dbraw/zinc/06/46/79/663064679.db2.gz VXFQLMYHCGJFEV-SWKXRBFHSA-N 0 3 376.298 2.937 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCc1cc(Cl)ccc1Br)C2 ZINC000884372177 663069741 /nfs/dbraw/zinc/06/97/41/663069741.db2.gz IDDIJKQJCNQKQP-BWBHSNQOSA-N 0 3 382.689 2.858 20 30 GFEDHN C#CCN(C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12)C1CCN(C)CC1 ZINC000886572630 663114093 /nfs/dbraw/zinc/11/40/93/663114093.db2.gz UQSVCHBDIFSHLP-QXAKKESOSA-N 0 3 387.321 2.891 20 30 GFEDHN C#CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)C1CCN(C)CC1 ZINC000886587223 663114371 /nfs/dbraw/zinc/11/43/71/663114371.db2.gz MLVRVWJTDOYQGX-UHFFFAOYSA-N 0 3 395.297 2.636 20 30 GFEDHN C#CCC1(NCC(=O)Nc2c(F)cc(F)cc2Br)CCOCC1 ZINC000887123380 663133481 /nfs/dbraw/zinc/13/34/81/663133481.db2.gz MPDZSLUFLJHMDG-UHFFFAOYSA-N 0 3 387.224 2.828 20 30 GFEDHN CCOC(=O)[C@]1(CNCc2cc(C#N)ccc2Br)CCCOC1 ZINC000895777651 663527290 /nfs/dbraw/zinc/52/72/90/663527290.db2.gz SXDPGRGOYVTKSB-KRWDZBQOSA-N 0 3 381.270 2.770 20 30 GFEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000101583517 551197118 /nfs/dbraw/zinc/19/71/18/551197118.db2.gz ZKQMPOSNZGFFKZ-CQSZACIVSA-N 0 3 381.314 2.778 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@]2(O)CCOC2)cc1OCC ZINC000179019988 552182175 /nfs/dbraw/zinc/18/21/75/552182175.db2.gz NTYCSEPZQUIYHW-QGZVFWFLSA-N 0 3 386.286 2.654 20 30 GFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000180058924 552211356 /nfs/dbraw/zinc/21/13/56/552211356.db2.gz SQNUKQMEDMMAKR-CQSZACIVSA-N 0 3 375.519 2.790 20 30 GFEDHN C=CCN(CCOC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000191076975 552518105 /nfs/dbraw/zinc/51/81/05/552518105.db2.gz YBMXNSCLFRDOJE-ZDUSSCGKSA-N 0 3 378.694 2.977 20 30 GFEDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000246371846 553106961 /nfs/dbraw/zinc/10/69/61/553106961.db2.gz HMWCPARRUOOXOI-XHDPSFHLSA-N 0 3 375.416 2.538 20 30 GFEDHN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246579094 553109999 /nfs/dbraw/zinc/10/99/99/553109999.db2.gz RYWMYIPGWNLJAT-SUMWQHHRSA-N 0 3 379.913 2.849 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419972091 563254728 /nfs/dbraw/zinc/25/47/28/563254728.db2.gz XXRNLTRYSHSYAL-HNNXBMFYSA-N 0 3 383.945 2.940 20 30 GFEDHN C[C@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@@H]1N1CCN(C)CC1 ZINC000376518272 563444505 /nfs/dbraw/zinc/44/45/05/563444505.db2.gz MPIFPJVSIICPJB-KXBFYZLASA-N 0 3 391.357 2.779 20 30 GFEDHN O=C(Nc1cc(Br)ccc1-n1cccn1)N1CCN2CCC[C@@H]2C1 ZINC000329979438 563492611 /nfs/dbraw/zinc/49/26/11/563492611.db2.gz JOIMNJZNXJIUSD-CQSZACIVSA-N 0 3 390.285 2.960 20 30 GFEDHN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000331887063 563565556 /nfs/dbraw/zinc/56/55/56/563565556.db2.gz DUULKHXTAXKQBU-GFCCVEGCSA-N 0 3 398.326 2.616 20 30 GFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000286890618 563578921 /nfs/dbraw/zinc/57/89/21/563578921.db2.gz ZZDDEFUIXUBYKS-WBMJQRKESA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1ccc(Br)c(CN2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411969743 563642762 /nfs/dbraw/zinc/64/27/62/563642762.db2.gz QTUWLAQJHGVURN-LJQANCHMSA-N 0 3 384.277 2.950 20 30 GFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449803128 564203163 /nfs/dbraw/zinc/20/31/63/564203163.db2.gz IXWNIDCYBDDCIO-AWEZNQCLSA-N 0 3 382.302 2.792 20 30 GFEDHN CCN1CCC(N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449828376 564205008 /nfs/dbraw/zinc/20/50/08/564205008.db2.gz POTBPCQGVSBTAO-UHFFFAOYSA-N 0 3 380.286 2.642 20 30 GFEDHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450026232 564213808 /nfs/dbraw/zinc/21/38/08/564213808.db2.gz VOWJXNJGRYYHNQ-CQSZACIVSA-N 0 3 380.286 2.642 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000451202093 564286120 /nfs/dbraw/zinc/28/61/20/564286120.db2.gz LXJDSHBRNIPZCQ-CQSZACIVSA-N 0 3 392.297 2.833 20 30 GFEDHN CS[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1N1CCCC1 ZINC000542772270 564325793 /nfs/dbraw/zinc/32/57/93/564325793.db2.gz BDZXKEQRYKYGAD-ZWKOTPCHSA-N 0 3 375.563 2.830 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(I)cc1 ZINC000451675403 564338458 /nfs/dbraw/zinc/33/84/58/564338458.db2.gz PVXHFEJFLWHZKI-KGLIPLIRSA-N 0 3 386.233 2.553 20 30 GFEDHN CN1CCC[C@@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 ZINC000452152271 564397286 /nfs/dbraw/zinc/39/72/86/564397286.db2.gz OYZOPSXAVIUJAY-GOSISDBHSA-N 0 3 392.297 2.644 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000557555019 564867007 /nfs/dbraw/zinc/86/70/07/564867007.db2.gz QQTYXRVAGFKNQE-CQSZACIVSA-N 0 3 383.945 2.907 20 30 GFEDHN N#Cc1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)c(Br)c1 ZINC000595587473 565483920 /nfs/dbraw/zinc/48/39/20/565483920.db2.gz CXEZOFSTYUZGRC-QGZVFWFLSA-N 0 3 379.298 2.978 20 30 GFEDHN Cc1cc(N2CC[C@@H](NC[C@H](O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000600733542 565746876 /nfs/dbraw/zinc/74/68/76/565746876.db2.gz DPBSZNKDJRUFAD-GDBMZVCRSA-N 0 3 392.297 2.507 20 30 GFEDHN COc1cc(Br)ccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600737119 565747341 /nfs/dbraw/zinc/74/73/41/565747341.db2.gz UELLEKJZYBPSHA-INIZCTEOSA-N 0 3 391.265 2.859 20 30 GFEDHN N#Cc1cccc(OCCN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737730239 598765691 /nfs/dbraw/zinc/76/56/91/598765691.db2.gz HPVKDRRLILTVNL-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN C=CCOc1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000819758923 599451347 /nfs/dbraw/zinc/45/13/47/599451347.db2.gz JLOWYYUAKQHWNQ-UHFFFAOYSA-N 0 3 381.436 2.609 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819743178 599678590 /nfs/dbraw/zinc/67/85/90/599678590.db2.gz DVRRWZLNWIPYGQ-YQQQUEKLSA-N 0 3 395.511 2.580 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000819743178 599678591 /nfs/dbraw/zinc/67/85/91/599678591.db2.gz DVRRWZLNWIPYGQ-YQQQUEKLSA-N 0 3 395.511 2.580 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819743178 599678592 /nfs/dbraw/zinc/67/85/92/599678592.db2.gz DVRRWZLNWIPYGQ-YQQQUEKLSA-N 0 3 395.511 2.580 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000819743178 599678593 /nfs/dbraw/zinc/67/85/93/599678593.db2.gz DVRRWZLNWIPYGQ-YQQQUEKLSA-N 0 3 395.511 2.580 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000820087700 606888655 /nfs/dbraw/zinc/88/86/55/606888655.db2.gz XIKIARSORUIQPB-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000820087700 606888656 /nfs/dbraw/zinc/88/86/56/606888656.db2.gz XIKIARSORUIQPB-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000820087700 606888657 /nfs/dbraw/zinc/88/86/57/606888657.db2.gz XIKIARSORUIQPB-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000820087700 606888658 /nfs/dbraw/zinc/88/86/58/606888658.db2.gz XIKIARSORUIQPB-FQEVSTJZSA-N 0 3 376.464 2.930 20 30 GFEDHN C#CC[N@@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000823850570 607921045 /nfs/dbraw/zinc/92/10/45/607921045.db2.gz RLYMJEHNOQVJGY-LJQANCHMSA-N 0 3 387.443 2.776 20 30 GFEDHN C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000823850570 607921046 /nfs/dbraw/zinc/92/10/46/607921046.db2.gz RLYMJEHNOQVJGY-LJQANCHMSA-N 0 3 387.443 2.776 20 30 GFEDHN N#CC(C(=O)Nc1nccs1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826379498 608495135 /nfs/dbraw/zinc/49/51/35/608495135.db2.gz TVYYUPFLZJGWBC-LLVKDONJSA-N 0 3 394.445 2.693 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1ccc(I)cc1Cl ZINC000818588809 660229155 /nfs/dbraw/zinc/22/91/55/660229155.db2.gz HOLSRLQHZCPTSR-UHFFFAOYSA-N 0 3 390.652 2.630 20 30 GFEDHN CCc1ccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000130674589 654891227 /nfs/dbraw/zinc/89/12/27/654891227.db2.gz QXLIRCUWQMURLL-UHFFFAOYSA-N 0 3 386.930 2.669 20 30 GFEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000156163483 655090024 /nfs/dbraw/zinc/09/00/24/655090024.db2.gz CPCYWVAWZPETSQ-ZDUSSCGKSA-N 0 3 388.221 2.743 20 30 GFEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)c(F)c1 ZINC000772984897 656396629 /nfs/dbraw/zinc/39/66/29/656396629.db2.gz PABBXOBGVIZYJK-OGNJIVFWSA-N 0 3 382.233 2.765 20 30 GFEDHN C=C(Br)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792050305 658226163 /nfs/dbraw/zinc/22/61/63/658226163.db2.gz UZOIEQAPKPFERL-UHFFFAOYSA-N 0 3 384.240 3.000 20 30 GFEDHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1CCC(C#N)CC1 ZINC000799343687 659183449 /nfs/dbraw/zinc/18/34/49/659183449.db2.gz KYHGWMVIRIWTJZ-NRXISQOPSA-N 0 3 384.933 2.624 20 30 GFEDHN C[C@@H](NC(=O)C(C#N)C(=O)CCn1ccnn1)c1ccc(Cl)cc1Cl ZINC000802218518 659457217 /nfs/dbraw/zinc/45/72/17/659457217.db2.gz DNLKXCXJLRAJEY-ZWNOBZJWSA-N 0 3 380.235 2.561 20 30 GFEDHN C#CCN1CCC(C(=O)NCc2nc3cc(Br)ccc3o2)CC1 ZINC000808249755 659884477 /nfs/dbraw/zinc/88/44/77/659884477.db2.gz LJNLFIXZPCQKTM-UHFFFAOYSA-N 0 3 376.254 2.552 20 30 GFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cc(Br)cn1 ZINC000842686110 661349020 /nfs/dbraw/zinc/34/90/20/661349020.db2.gz JZEKXALWGHEQMZ-SMDDNHRTSA-N 0 3 375.226 2.944 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000858493411 662113406 /nfs/dbraw/zinc/11/34/06/662113406.db2.gz UFHKWYVHHUIKKP-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN CC[C@H](NC(C)=O)C(=O)C(C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000870310138 662683518 /nfs/dbraw/zinc/68/35/18/662683518.db2.gz TYGWHZKMUIQVMM-PKPZWWHKSA-N 0 3 384.263 2.794 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000876554607 662862688 /nfs/dbraw/zinc/86/26/88/662862688.db2.gz PMQJEOUJYITIMH-ZDUSSCGKSA-N 0 3 392.308 2.533 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000876635726 662863875 /nfs/dbraw/zinc/86/38/75/662863875.db2.gz HHMKAXQNZKYHLM-LBPRGKRZSA-N 0 3 388.693 2.672 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000876876794 662867497 /nfs/dbraw/zinc/86/74/97/662867497.db2.gz VATIJWMUFFJICV-OAHLLOKOSA-N 0 3 385.295 2.876 20 30 GFEDHN CC(C)(CNC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1Br ZINC000884326396 663068978 /nfs/dbraw/zinc/06/89/78/663068978.db2.gz RFMZZPRYMJSIAH-BIWSTMPVSA-N 0 3 390.325 2.982 20 30 GFEDHN C#CCN(C(=O)c1nc(C(C)C)ncc1Br)C1CCN(C)CC1 ZINC000886571426 663113932 /nfs/dbraw/zinc/11/39/32/663113932.db2.gz WAOSSHAGDCTUIR-UHFFFAOYSA-N 0 3 379.302 2.532 20 30 GFEDHN C#CCN(C(=O)c1csc(I)c1)C1CCN(C)CC1 ZINC000886582332 663114290 /nfs/dbraw/zinc/11/42/90/663114290.db2.gz POVKKPCVWSVQKA-UHFFFAOYSA-N 0 3 388.274 2.522 20 30 GFEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907187415 664010316 /nfs/dbraw/zinc/01/03/16/664010316.db2.gz MXAWNHMQZPFMIM-BLLLJJGKSA-N 0 3 398.326 2.568 20 30 GFEDHN C#CCOc1ccc(Br)cc1CNC[C@@H]1CN(CC(C)C)CCO1 ZINC000920957197 664534824 /nfs/dbraw/zinc/53/48/24/664534824.db2.gz OEKGRFDAEHCYSA-GOSISDBHSA-N 0 3 395.341 2.908 20 30 GFEDHN C#CCN(C(=O)N[C@@H](C)c1ccc(Br)cn1)C1CCN(C)CC1 ZINC000922288831 664593182 /nfs/dbraw/zinc/59/31/82/664593182.db2.gz HYUZZDHCVBFLLN-ZDUSSCGKSA-N 0 3 379.302 2.644 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000932141040 664810964 /nfs/dbraw/zinc/81/09/64/664810964.db2.gz NPPIZADLWYNFSM-UHFFFAOYSA-N 0 3 391.265 2.936 20 30 GFEDHN CN(C)C(=O)CCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932948982 664844480 /nfs/dbraw/zinc/84/44/80/664844480.db2.gz NIYDQNLNCAIBBZ-IUCAKERBSA-N 0 3 382.295 2.958 20 30 GFEDHN N#CC1(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCSCC1 ZINC000935741137 664985679 /nfs/dbraw/zinc/98/56/79/664985679.db2.gz UQJCMKBOCSOEHE-UHFFFAOYSA-N 0 3 375.460 2.945 20 30 GFEDHN C=CCOc1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164910280 721535870 /nfs/dbraw/zinc/53/58/70/721535870.db2.gz UBBSISOZSBDZKQ-IEBWSBKVSA-N 0 3 384.455 2.831 20 30 GFEDHN N#Cc1cc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc2[nH]1 ZINC001164984598 722137856 /nfs/dbraw/zinc/13/78/56/722137856.db2.gz XMWZYFJOQQWMHB-UWJYYQICSA-N 0 3 388.475 2.557 20 30 GFEDHN C=CCN1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000171727395 551662042 /nfs/dbraw/zinc/66/20/42/551662042.db2.gz FERLTPIOBJMRGX-UHFFFAOYSA-N 0 3 382.302 2.778 20 30 GFEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000245664400 553095192 /nfs/dbraw/zinc/09/51/92/553095192.db2.gz GJPMREBNYJTSCU-KZNAEPCWSA-N 0 3 378.314 2.935 20 30 GFEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000248504525 553130684 /nfs/dbraw/zinc/13/06/84/553130684.db2.gz VSNIRNSATUGKHX-WMLDXEAASA-N 0 3 379.913 2.849 20 30 GFEDHN CN1CCN(C[C@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)CC1 ZINC000371535574 563280953 /nfs/dbraw/zinc/28/09/53/563280953.db2.gz CDWSNWXVBRAXFG-QGZVFWFLSA-N 0 3 391.357 2.780 20 30 GFEDHN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@@H](N)CCCC#N ZINC000424128779 563371641 /nfs/dbraw/zinc/37/16/41/563371641.db2.gz CFTIBHQRVAUOJA-GJZGRUSLSA-N 0 3 386.279 2.605 20 30 GFEDHN C[C@H]1CN(Cc2ccc(Br)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000376518270 563444599 /nfs/dbraw/zinc/44/45/99/563444599.db2.gz MPIFPJVSIICPJB-HNAYVOBHSA-N 0 3 391.357 2.779 20 30 GFEDHN N#Cc1ccc(NCC(=O)NCCN2CCCCCC2)c(Br)c1 ZINC000431492481 563561603 /nfs/dbraw/zinc/56/16/03/563561603.db2.gz CTIBOOPFPXCZMS-UHFFFAOYSA-N 0 3 379.302 2.725 20 30 GFEDHN CN1CCN(C[C@@H]2CCCN(Cc3cc(C#N)ccc3Br)C2)CC1 ZINC000365191165 563776059 /nfs/dbraw/zinc/77/60/59/563776059.db2.gz JYIBQGBFRCTNAS-KRWDZBQOSA-N 0 3 391.357 2.780 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c(=O)c1Br)C(C)C ZINC000446042846 563857337 /nfs/dbraw/zinc/85/73/37/563857337.db2.gz QDONGCVKHQPZLN-AWEZNQCLSA-N 0 3 382.302 2.978 20 30 GFEDHN COc1ccc(C[C@H](CO)CNCc2ccc(C#N)o2)cc1Br ZINC000449599820 564190897 /nfs/dbraw/zinc/19/08/97/564190897.db2.gz MGIUCIRLNVVNHK-ZDUSSCGKSA-N 0 3 379.254 2.863 20 30 GFEDHN CS[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1N(C)C ZINC000539477506 564220937 /nfs/dbraw/zinc/22/09/37/564220937.db2.gz HHCVCFBJWVSZHA-IRXDYDNUSA-N 0 3 380.945 2.564 20 30 GFEDHN C[NH+](C)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000565082100 564265586 /nfs/dbraw/zinc/26/55/86/564265586.db2.gz ASMGILGXBBIGGH-CYBMUJFWSA-N 0 3 383.926 2.897 20 30 GFEDHN N#Cc1ccc(CNc2cc(N3CCOCC3)c(Br)cn2)s1 ZINC000565284985 564274047 /nfs/dbraw/zinc/27/40/47/564274047.db2.gz CXKQWVAVWZIBSH-UHFFFAOYSA-N 0 3 379.283 2.648 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN[C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000542910769 564331838 /nfs/dbraw/zinc/33/18/38/564331838.db2.gz ZJUCBVMGSJPKQF-KRWDZBQOSA-N 0 3 388.265 2.973 20 30 GFEDHN Cc1nc(SCC(=O)NC[C@]2(N(C)C)CCSC2)c(C#N)c(C)c1C ZINC000481199345 564505086 /nfs/dbraw/zinc/50/50/86/564505086.db2.gz FFPWARSFGMUQCC-GOSISDBHSA-N 0 3 378.567 2.524 20 30 GFEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000580515721 564761467 /nfs/dbraw/zinc/76/14/67/564761467.db2.gz PZPGFCOZYQYHCX-AWEZNQCLSA-N 0 3 392.297 2.786 20 30 GFEDHN CS(=O)(=O)c1ccc(CNC2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000580789324 564773793 /nfs/dbraw/zinc/77/37/93/564773793.db2.gz MKDBAAGZDJNJKO-UHFFFAOYSA-N 0 3 375.519 2.782 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1cc(Br)ccc1C#N)C(C)C ZINC000555948700 564809683 /nfs/dbraw/zinc/80/96/83/564809683.db2.gz KGCGDQIPYFCSPC-UHFFFAOYSA-N 0 3 388.331 2.718 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CNCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000562992032 565051461 /nfs/dbraw/zinc/05/14/61/565051461.db2.gz VCEUOKXUHOXPHD-KRWDZBQOSA-N 0 3 378.929 2.802 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2c(Cl)cccc2Cl)nc1 ZINC000584685478 565092033 /nfs/dbraw/zinc/09/20/33/565092033.db2.gz BIUSCVNIWGOPMP-UHFFFAOYSA-N 0 3 384.288 2.866 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(CC(F)(F)F)C2)cc1 ZINC000588289598 565132495 /nfs/dbraw/zinc/13/24/95/565132495.db2.gz HZVVPIABPUAUEF-SNVBAGLBSA-N 0 3 375.372 2.788 20 30 GFEDHN COC1CCN(CCNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000588315345 565133467 /nfs/dbraw/zinc/13/34/67/565133467.db2.gz RKYSKSFGRYQDRB-UHFFFAOYSA-N 0 3 381.274 2.553 20 30 GFEDHN N#Cc1csc(CNc2cc(N3CCOCC3)c(Br)cn2)c1 ZINC000590663669 565195184 /nfs/dbraw/zinc/19/51/84/565195184.db2.gz BXXYZSOOBKIHPB-UHFFFAOYSA-N 0 3 379.283 2.648 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c32)CC1 ZINC000668370124 565644022 /nfs/dbraw/zinc/64/40/22/565644022.db2.gz OAHBMXVSSYUSRH-UHFFFAOYSA-N 0 3 393.285 2.801 20 30 GFEDHN N#CC1(C[C@@H](O)CNCc2cc(F)c(Br)cc2F)CCOCC1 ZINC000600759856 565748373 /nfs/dbraw/zinc/74/83/73/565748373.db2.gz GLIYVJUIUDXDMA-GFCCVEGCSA-N 0 3 389.240 2.888 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000819722569 599541105 /nfs/dbraw/zinc/54/11/05/599541105.db2.gz NDIXYAYBNFQTGT-UHFFFAOYSA-N 0 3 377.496 2.906 20 30 GFEDHN C=C(C)C[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000819722569 599541106 /nfs/dbraw/zinc/54/11/06/599541106.db2.gz NDIXYAYBNFQTGT-UHFFFAOYSA-N 0 3 377.496 2.906 20 30 GFEDHN N#Cc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826386413 608570404 /nfs/dbraw/zinc/57/04/04/608570404.db2.gz COJLPOZJMFITHQ-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN N#Cc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826386413 608570406 /nfs/dbraw/zinc/57/04/06/608570406.db2.gz COJLPOZJMFITHQ-UHFFFAOYSA-N 0 3 375.436 2.613 20 30 GFEDHN COc1ccc(C#N)cc1NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826186963 609365646 /nfs/dbraw/zinc/36/56/46/609365646.db2.gz SAFXGKDDNCKAHO-UHFFFAOYSA-N 0 3 389.463 2.823 20 30 GFEDHN C#C[C@H](NC(=O)NCCN1CCC(OC)CC1)c1ccc(Br)cc1 ZINC000820615785 660300202 /nfs/dbraw/zinc/30/02/02/660300202.db2.gz DNUIFDVHUVGNLH-KRWDZBQOSA-N 0 3 394.313 2.533 20 30 GFEDHN Cc1cc(CNc2cc(N3CCOCC3)c(Br)cn2)ccc1C#N ZINC000574268196 655427616 /nfs/dbraw/zinc/42/76/16/655427616.db2.gz IUEUULNQOYIJBJ-UHFFFAOYSA-N 0 3 387.281 2.895 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000577621015 655463084 /nfs/dbraw/zinc/46/30/84/655463084.db2.gz YNPLRKUFZZWAQW-GLQYFDAESA-N 0 3 386.311 2.848 20 30 GFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cc(Br)cn1 ZINC000842686106 661349112 /nfs/dbraw/zinc/34/91/12/661349112.db2.gz JZEKXALWGHEQMZ-FZMZJTMJSA-N 0 3 375.226 2.944 20 30 GFEDHN C#CCN1CCC(C(=O)NC2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000843629365 661388626 /nfs/dbraw/zinc/38/86/26/661388626.db2.gz DUPGOECNHHDETB-UHFFFAOYSA-N 0 3 391.309 2.908 20 30 GFEDHN C#CC[C@H](CO)NCc1cc(Br)c(OC(F)F)c(OCC)c1 ZINC000883123567 663050162 /nfs/dbraw/zinc/05/01/62/663050162.db2.gz CDWHQVCVJMGQFQ-LLVKDONJSA-N 0 3 378.213 2.923 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCCc1cccc(Br)c1)C2 ZINC000884132092 663065637 /nfs/dbraw/zinc/06/56/37/663065637.db2.gz GHXFKJLHLIVIBJ-SWKXRBFHSA-N 0 3 376.298 2.637 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCCc1ccc(Br)cc1F)C2 ZINC000884141927 663065936 /nfs/dbraw/zinc/06/59/36/663065936.db2.gz MQILRJMVUDWWOO-TXKKKEFDSA-N 0 3 394.288 2.776 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1cc(Cl)ccc1Br)C2 ZINC000884372176 663069684 /nfs/dbraw/zinc/06/96/84/663069684.db2.gz IDDIJKQJCNQKQP-BGMSHATGSA-N 0 3 382.689 2.858 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3sc(Br)cc3C1)C2 ZINC000884409201 663070381 /nfs/dbraw/zinc/07/03/81/663070381.db2.gz CMEGMMFRRFQTCI-BGMSHATGSA-N 0 3 380.311 2.535 20 30 GFEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888425886 663197028 /nfs/dbraw/zinc/19/70/28/663197028.db2.gz DIZOMCKMMCDOGS-LLVKDONJSA-N 0 3 383.905 2.775 20 30 GFEDHN CC(C)n1cnnc1SCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885137 664473833 /nfs/dbraw/zinc/47/38/33/664473833.db2.gz NRRLBOFWRYNQBY-CYBMUJFWSA-N 0 3 377.857 2.952 20 30 GFEDHN C#CCN(C(=O)NCCOc1ncc(Cl)cc1Cl)C1CCN(C)CC1 ZINC000921475634 664549842 /nfs/dbraw/zinc/54/98/42/664549842.db2.gz DOPFQQGOWHEASO-UHFFFAOYSA-N 0 3 385.295 2.506 20 30 GFEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncc5c(c4C#N)CCCC5)C[C@H]3C2)cn1 ZINC001164766768 721243446 /nfs/dbraw/zinc/24/34/46/721243446.db2.gz VIYWWRPITILFFT-RTBURBONSA-N 0 3 376.508 2.524 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccncc1Br ZINC000151037098 551406186 /nfs/dbraw/zinc/40/61/86/551406186.db2.gz CJAOIHNCRNCXCK-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN CN(CCCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282283459 563405365 /nfs/dbraw/zinc/40/53/65/563405365.db2.gz KXWPRRFYPOBEEJ-UHFFFAOYSA-N 0 3 375.416 2.683 20 30 GFEDHN COCCCN1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000376618746 563448998 /nfs/dbraw/zinc/44/89/98/563448998.db2.gz PPSYLJCJJMRBHZ-UHFFFAOYSA-N 0 3 395.301 2.897 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@H](CO)Cc3ccc(Br)cc3)n2c1 ZINC000428542985 563495277 /nfs/dbraw/zinc/49/52/77/563495277.db2.gz RULQKHUJLRGGRR-MRXNPFEDSA-N 0 3 399.292 2.909 20 30 GFEDHN CC(C)(C)CCN1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000330949146 563528939 /nfs/dbraw/zinc/52/89/39/563528939.db2.gz IWHFERUMXKCKLH-UHFFFAOYSA-N 0 3 387.571 2.619 20 30 GFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC1CCN(CC=C)CC1 ZINC000286458244 563560654 /nfs/dbraw/zinc/56/06/54/563560654.db2.gz HXBZGAMZDFWVRT-UHFFFAOYSA-N 0 3 381.929 2.683 20 30 GFEDHN CN(CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000410158205 563583833 /nfs/dbraw/zinc/58/38/33/563583833.db2.gz DTZBULZXHQVXGD-UHFFFAOYSA-N 0 3 375.416 2.730 20 30 GFEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433292595 563608270 /nfs/dbraw/zinc/60/82/70/563608270.db2.gz XZXQKGNOKOIXDX-HIFRSBDPSA-N 0 3 394.313 2.714 20 30 GFEDHN CN1CCC2(CCCN2C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000333520892 563634487 /nfs/dbraw/zinc/63/44/87/563634487.db2.gz GXWIKIGRVBSYJE-UHFFFAOYSA-N 0 3 392.297 2.786 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000288815468 563658406 /nfs/dbraw/zinc/65/84/06/563658406.db2.gz LVKLHAIFKKXSDH-TVQRCGJNSA-N 0 3 375.372 2.835 20 30 GFEDHN C=CCn1c(SC[C@H](O)CN(C)C2CC2)nc2sc(C)c(C)c2c1=O ZINC000290531789 563712912 /nfs/dbraw/zinc/71/29/12/563712912.db2.gz DHOBXIRCZKUYNY-CQSZACIVSA-N 0 3 379.551 2.808 20 30 GFEDHN C=CCN(Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414752119 563751952 /nfs/dbraw/zinc/75/19/52/563751952.db2.gz TYUPETAKLFTLCD-AWEZNQCLSA-N 0 3 398.320 2.774 20 30 GFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)COc1cccc(Br)c1C#N ZINC000449801156 564202705 /nfs/dbraw/zinc/20/27/05/564202705.db2.gz DJGOPKPLVLCOFV-ZDUSSCGKSA-N 0 3 382.302 2.792 20 30 GFEDHN CCCN(CCN1CCN(CC)CC1)c1ncc(Br)cc1C#N ZINC000450531649 564237669 /nfs/dbraw/zinc/23/76/69/564237669.db2.gz KAXHROUKGIBVKH-UHFFFAOYSA-N 0 3 380.334 2.570 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1C#N ZINC000540124311 564239858 /nfs/dbraw/zinc/23/98/58/564239858.db2.gz HSWBDJNWAQTRRY-HZPDHXFCSA-N 0 3 376.551 2.670 20 30 GFEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(Br)cc1C(F)(F)F ZINC000564849531 564253036 /nfs/dbraw/zinc/25/30/36/564253036.db2.gz MXTZYUWRSLKHFN-ZDUSSCGKSA-N 0 3 394.235 2.764 20 30 GFEDHN C[NH+](C)CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451897430 564363459 /nfs/dbraw/zinc/36/34/59/564363459.db2.gz WFCKESQSSOUTGY-UHFFFAOYSA-N 0 3 377.432 2.976 20 30 GFEDHN C=CCNC(=O)NC(=O)CN[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000484322992 564586802 /nfs/dbraw/zinc/58/68/02/564586802.db2.gz FGRALEORJVXLIH-QGZVFWFLSA-N 0 3 382.302 2.922 20 30 GFEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2ncc(Cl)cc2Cl)cc1 ZINC000519698096 564587993 /nfs/dbraw/zinc/58/79/93/564587993.db2.gz KSLBXUQGCRIDAZ-CQSZACIVSA-N 0 3 382.247 2.668 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000574392797 564671698 /nfs/dbraw/zinc/67/16/98/564671698.db2.gz HCZWNFBJAABJLX-JSGCOSHPSA-N 0 3 375.416 2.685 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@H](O)[C@H]2CCCO2)cc1OC ZINC000527759137 564759824 /nfs/dbraw/zinc/75/98/24/564759824.db2.gz NNNKTLJILNMMAR-LSDHHAIUSA-N 0 3 386.286 2.652 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@]2(OC)CCOC2)cc1OC ZINC000461420460 564797082 /nfs/dbraw/zinc/79/70/82/564797082.db2.gz GENNJACXWBRAFN-KRWDZBQOSA-N 0 3 386.286 2.918 20 30 GFEDHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000562011324 565015589 /nfs/dbraw/zinc/01/55/89/565015589.db2.gz GMPQWUYOKXIXKC-GFCCVEGCSA-N 0 3 388.331 2.719 20 30 GFEDHN CCC(C#N)C(=O)N1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000593745445 565359232 /nfs/dbraw/zinc/35/92/32/565359232.db2.gz RKTVGDQDJGOBNP-DFBGVHRSSA-N 0 3 379.254 2.714 20 30 GFEDHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425404 565384271 /nfs/dbraw/zinc/38/42/71/565384271.db2.gz IJBAVAIYSBHJAK-AWEZNQCLSA-N 0 3 395.301 2.566 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(I)cc1F ZINC000595255129 565458933 /nfs/dbraw/zinc/45/89/33/565458933.db2.gz KNWIMCMLRSGCTC-NSHDSACASA-N 0 3 375.185 2.780 20 30 GFEDHN CCN1CCN(Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1 ZINC000596075383 565511496 /nfs/dbraw/zinc/51/14/96/565511496.db2.gz IUQGUECUQDQWRQ-UHFFFAOYSA-N 0 3 375.929 2.840 20 30 GFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597860222 565578777 /nfs/dbraw/zinc/57/87/77/565578777.db2.gz MBXDVHQCFJNLHV-ZDUSSCGKSA-N 0 3 380.286 2.689 20 30 GFEDHN C=C(C)CN(CC)C(=O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625794306 565659567 /nfs/dbraw/zinc/65/95/67/565659567.db2.gz GGQRSHZRMLVSFW-LJQANCHMSA-N 0 3 395.341 2.683 20 30 GFEDHN N#CC1(C[C@@H](O)CN[C@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000599398775 565675914 /nfs/dbraw/zinc/67/59/14/565675914.db2.gz CXNWVUKXZLHZBL-CJNGLKHVSA-N 0 3 395.297 2.934 20 30 GFEDHN C[C@H](CC1(C#N)CCOCC1)NCCNC(=O)c1cccc(Br)c1 ZINC000602546599 565854280 /nfs/dbraw/zinc/85/42/80/565854280.db2.gz REQVPIVOIQJDAF-CQSZACIVSA-N 0 3 394.313 2.867 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC[C@@H]2C2CC2)cc1 ZINC000602991118 565878311 /nfs/dbraw/zinc/87/83/11/565878311.db2.gz WCJAECRLISWBQE-BLLLJJGKSA-N 0 3 379.507 2.732 20 30 GFEDHN N#Cc1ccc(OC2CCN(CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737722351 598767230 /nfs/dbraw/zinc/76/72/30/598767230.db2.gz SQWBFLUVIWEWGD-UHFFFAOYSA-N 0 3 390.447 2.661 20 30 GFEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825322411 607921440 /nfs/dbraw/zinc/92/14/40/607921440.db2.gz CBKOKMSGHVDHRY-UHFFFAOYSA-N 0 3 390.447 2.937 20 30 GFEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825322411 607921441 /nfs/dbraw/zinc/92/14/41/607921441.db2.gz CBKOKMSGHVDHRY-UHFFFAOYSA-N 0 3 390.447 2.937 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(C#N)cc1F ZINC000824555928 609333057 /nfs/dbraw/zinc/33/30/57/609333057.db2.gz YREITTVANBZJTC-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1c(C)c2cc(Br)ccc2oc1=O ZINC000818606391 660230001 /nfs/dbraw/zinc/23/00/01/660230001.db2.gz RKALNNLITUVQJJ-UHFFFAOYSA-N 0 3 391.265 2.549 20 30 GFEDHN C#CCO[C@@H](C)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000832870747 660803446 /nfs/dbraw/zinc/80/34/46/660803446.db2.gz PQVNJJAYEDZQMX-HNNXBMFYSA-N 0 3 393.325 2.910 20 30 GFEDHN C#C[C@H](NC(=O)NC[C@H]1CCCN1CCOC)c1ccc(Br)cc1 ZINC000836316508 660899413 /nfs/dbraw/zinc/89/94/13/660899413.db2.gz QZDQWHDXSVFHDO-SJORKVTESA-N 0 3 394.313 2.533 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000836491158 660910548 /nfs/dbraw/zinc/91/05/48/660910548.db2.gz JBIZRGMNTUDOBO-HNNXBMFYSA-N 0 3 382.277 2.830 20 30 GFEDHN O=C(C#CC1CC1)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000837426891 660996092 /nfs/dbraw/zinc/99/60/92/660996092.db2.gz KLIDLFWDQGOSSO-UHFFFAOYSA-N 0 3 391.309 2.822 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1ccccc1Br ZINC000125170964 654789100 /nfs/dbraw/zinc/78/91/00/654789100.db2.gz IDYBYFKMDOTLIW-LBPRGKRZSA-N 0 3 399.310 2.793 20 30 GFEDHN N#Cc1cccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000057928656 654812477 /nfs/dbraw/zinc/81/24/77/654812477.db2.gz PJOBAZKXWXKWCS-UHFFFAOYSA-N 0 3 375.519 2.810 20 30 GFEDHN C#CCCOc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127751159 654834202 /nfs/dbraw/zinc/83/42/02/654834202.db2.gz CMGXZIREMFPWBB-UHFFFAOYSA-N 0 3 398.937 2.872 20 30 GFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000266295482 654869837 /nfs/dbraw/zinc/86/98/37/654869837.db2.gz HMSOZHXZXYPBTI-CQSZACIVSA-N 0 3 379.298 2.678 20 30 GFEDHN C=C(Br)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000171054064 655148349 /nfs/dbraw/zinc/14/83/49/655148349.db2.gz YXDJGPQFNRJZHM-UHFFFAOYSA-N 0 3 381.318 2.639 20 30 GFEDHN COc1ccc(Br)c(C(=O)NCCCNCc2ccc(C#N)o2)c1 ZINC000174373834 655200549 /nfs/dbraw/zinc/20/05/49/655200549.db2.gz IEPHVZNQLWGTNU-UHFFFAOYSA-N 0 3 392.253 2.832 20 30 GFEDHN C#CCOc1ccc([C@H](C)NCCNS(=O)(=O)c2ccc(C)s2)cc1 ZINC000181512118 655338548 /nfs/dbraw/zinc/33/85/48/655338548.db2.gz VZXVEGHQZBQLFO-HNNXBMFYSA-N 0 3 378.519 2.698 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCSCc2ccccc2F)cc1 ZINC000576339044 655445849 /nfs/dbraw/zinc/44/58/49/655445849.db2.gz AOGFWDJZPOTRNF-UHFFFAOYSA-N 0 3 378.494 2.994 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1cccc(Br)c1 ZINC000761026280 655996823 /nfs/dbraw/zinc/99/68/23/655996823.db2.gz LMGRZIFSVISFAP-HNNXBMFYSA-N 0 3 381.270 2.633 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(I)ccc2C)CC1 ZINC000774199397 656502291 /nfs/dbraw/zinc/50/22/91/656502291.db2.gz OTZHALWIFNHXTN-UHFFFAOYSA-N 0 3 382.245 2.883 20 30 GFEDHN CN(CCN1CCN(c2nc(Cl)c(C#N)s2)CC1)Cc1ccccc1 ZINC000804431859 659645507 /nfs/dbraw/zinc/64/55/07/659645507.db2.gz XODINLSDIDVCLG-UHFFFAOYSA-N 0 3 375.929 2.922 20 30 GFEDHN CCCCCNC(=O)C(C#N)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000810527139 659976727 /nfs/dbraw/zinc/97/67/27/659976727.db2.gz IPEJJYMWIIDINB-JTQLQIEISA-N 0 3 378.782 2.879 20 30 GFEDHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000810537255 659977138 /nfs/dbraw/zinc/97/71/38/659977138.db2.gz QNOCBLQQQITKRA-SNVBAGLBSA-N 0 3 376.766 2.631 20 30 GFEDHN C#CCCN(CCOC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000852751477 661873424 /nfs/dbraw/zinc/87/34/24/661873424.db2.gz DXIBGGBIMRRKRJ-AWEZNQCLSA-N 0 3 390.705 2.814 20 30 GFEDHN O=S(=O)(N[C@@H]1CNCCC1(F)F)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000866769147 662496301 /nfs/dbraw/zinc/49/63/01/662496301.db2.gz IREIBDNYDKENPP-SNVBAGLBSA-N 0 3 394.312 2.616 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710096 662865071 /nfs/dbraw/zinc/86/50/71/662865071.db2.gz DVZWMLKSULIQJL-GFCCVEGCSA-N 0 3 392.750 2.625 20 30 GFEDHN CC1(N2CCC2)CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000882768148 663041052 /nfs/dbraw/zinc/04/10/52/663041052.db2.gz ROLVVVPIURJXGQ-UHFFFAOYSA-N 0 3 398.326 2.570 20 30 GFEDHN COc1cc(Br)ccc1[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884317941 663068827 /nfs/dbraw/zinc/06/88/27/663068827.db2.gz HOERCDLKCAHATE-LLFUWHRMSA-N 0 3 392.297 2.774 20 30 GFEDHN C=CCOc1c(Br)cc(CNCCN2CCNC2=O)cc1OCC ZINC000886324486 663108136 /nfs/dbraw/zinc/10/81/36/663108136.db2.gz UEZXPEIBBZVPBS-UHFFFAOYSA-N 0 3 398.301 2.527 20 30 GFEDHN C#CCN(C(=O)Cc1noc2ccc(Br)cc21)C1CCN(C)CC1 ZINC000886574480 663114137 /nfs/dbraw/zinc/11/41/37/663114137.db2.gz HZMVQYQEYXBESH-UHFFFAOYSA-N 0 3 390.281 2.689 20 30 GFEDHN C#CCN(C(=O)CCOc1ccccc1Br)C1CCN(C)CC1 ZINC000886583619 663114328 /nfs/dbraw/zinc/11/43/28/663114328.db2.gz XOVLBYAEISAKHJ-UHFFFAOYSA-N 0 3 379.298 2.774 20 30 GFEDHN CNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000133295797 677400690 /nfs/dbraw/zinc/40/06/90/677400690.db2.gz JZQYIDIAYGWIOD-GFCCVEGCSA-N 0 3 378.251 2.570 20 30 GFEDHN C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CN1CCCC1 ZINC000055265173 551172127 /nfs/dbraw/zinc/17/21/27/551172127.db2.gz ZLAUGMQJUOPPID-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN CS(=O)(=O)CCSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000171817139 551664555 /nfs/dbraw/zinc/66/45/55/551664555.db2.gz BMACTTYCLPFRAX-ZDUSSCGKSA-N 0 3 380.516 2.764 20 30 GFEDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000173245122 552080485 /nfs/dbraw/zinc/08/04/85/552080485.db2.gz BGONOIQETCNLNF-FZMZJTMJSA-N 0 3 375.416 2.538 20 30 GFEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Br)ccc1Cl ZINC000173967154 552096499 /nfs/dbraw/zinc/09/64/99/552096499.db2.gz DDSNXDBQIZDXNI-SECBINFHSA-N 0 3 380.691 2.708 20 30 GFEDHN N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000248504526 553130324 /nfs/dbraw/zinc/13/03/24/553130324.db2.gz VSNIRNSATUGKHX-YOEHRIQHSA-N 0 3 379.913 2.849 20 30 GFEDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1N1CCCC1 ZINC000296138057 563275871 /nfs/dbraw/zinc/27/58/71/563275871.db2.gz XBRWJSFHNIGWQJ-CVEARBPZSA-N 0 3 394.338 2.973 20 30 GFEDHN CS[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1N1CCCC1 ZINC000296138059 563276198 /nfs/dbraw/zinc/27/61/98/563276198.db2.gz XBRWJSFHNIGWQJ-HOTGVXAUSA-N 0 3 394.338 2.973 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000280013803 563319183 /nfs/dbraw/zinc/31/91/83/563319183.db2.gz QIPRVJDEQUITJA-WMLDXEAASA-N 0 3 379.273 2.906 20 30 GFEDHN C[C@H](CO)N1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000374148830 563362971 /nfs/dbraw/zinc/36/29/71/563362971.db2.gz MYNSACMJOKSZSP-CYBMUJFWSA-N 0 3 389.297 2.762 20 30 GFEDHN Cn1cc(CNCCn2cc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000375740123 563416992 /nfs/dbraw/zinc/41/69/92/563416992.db2.gz DIJYICFAGJUBRC-UHFFFAOYSA-N 0 3 385.269 2.708 20 30 GFEDHN CN1CCC[C@H](N2CCN(Cc3ccc(Br)cc3C#N)CC2)C1 ZINC000376508815 563444810 /nfs/dbraw/zinc/44/48/10/563444810.db2.gz XNDOMMZGULUSJF-SFHVURJKSA-N 0 3 377.330 2.533 20 30 GFEDHN CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)s1 ZINC000329850496 563489850 /nfs/dbraw/zinc/48/98/50/563489850.db2.gz SIUWWKCPHJCSRJ-CQSZACIVSA-N 0 3 385.555 2.516 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@@H](CO)Cc3ccccc3Br)n2c1 ZINC000428536583 563494355 /nfs/dbraw/zinc/49/43/55/563494355.db2.gz NBPZRPRHVJNRES-HNNXBMFYSA-N 0 3 399.292 2.909 20 30 GFEDHN C#CCN1CCC(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284957916 563496665 /nfs/dbraw/zinc/49/66/65/563496665.db2.gz QIXIAKOIPCNUPM-KRWDZBQOSA-N 0 3 376.298 2.757 20 30 GFEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2cccc(Br)c2)CC1 ZINC000330679539 563517634 /nfs/dbraw/zinc/51/76/34/563517634.db2.gz XUOBKZVFIIHFNR-UHFFFAOYSA-N 0 3 397.317 2.718 20 30 GFEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000333203107 563623962 /nfs/dbraw/zinc/62/39/62/563623962.db2.gz ZYQWDTFIOJJFCK-ZDUSSCGKSA-N 0 3 396.563 2.527 20 30 GFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000364868316 563767214 /nfs/dbraw/zinc/76/72/14/563767214.db2.gz DDKQWRTUZHSXPI-DNVCBOLYSA-N 0 3 391.357 2.779 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CN)CCCC ZINC000415505527 563780441 /nfs/dbraw/zinc/78/04/41/563780441.db2.gz XXTKWJJDMIXJLL-ZDUSSCGKSA-N 0 3 398.301 2.586 20 30 GFEDHN C=CCOc1c(Br)cc(CN2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1OC ZINC000365659732 563790097 /nfs/dbraw/zinc/79/00/97/563790097.db2.gz NSVCRVMFWHZVND-KGLIPLIRSA-N 0 3 395.297 2.590 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN2CCC(Cn3cc(Br)cn3)CC2)cc1 ZINC000367788898 563855658 /nfs/dbraw/zinc/85/56/58/563855658.db2.gz ACXCPXVAKWBLLB-SFHVURJKSA-N 0 3 389.297 2.963 20 30 GFEDHN CN(C)CCOC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448966723 563904141 /nfs/dbraw/zinc/90/41/41/563904141.db2.gz AGVDCMIJNYHAQJ-UHFFFAOYSA-N 0 3 380.286 2.504 20 30 GFEDHN C=C(C)COCCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000449195807 563907799 /nfs/dbraw/zinc/90/77/99/563907799.db2.gz ZPUJKDBRFKMBTH-CYBMUJFWSA-N 0 3 385.302 2.645 20 30 GFEDHN C[C@@H]1CN(CCCCNC(=O)c2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000450120987 564218197 /nfs/dbraw/zinc/21/81/97/564218197.db2.gz HTWPURQBCNWQRO-ZIAGYGMSSA-N 0 3 394.313 2.940 20 30 GFEDHN CC(C)N1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450930552 564255870 /nfs/dbraw/zinc/25/58/70/564255870.db2.gz NDKBMIFAYYDCBQ-ZDUSSCGKSA-N 0 3 380.286 2.689 20 30 GFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000567071386 564356676 /nfs/dbraw/zinc/35/66/76/564356676.db2.gz YYNIZPUUAWQEFM-CABCVRRESA-N 0 3 392.297 2.785 20 30 GFEDHN N#CCc1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c(Cl)c1 ZINC000570249457 564497725 /nfs/dbraw/zinc/49/77/25/564497725.db2.gz JLIFFENNSQIPMG-MRXNPFEDSA-N 0 3 381.929 2.903 20 30 GFEDHN C=CCN1CCC(NC(=O)Nc2cc(N(C)C)c(Br)cn2)CC1 ZINC000455861259 564576024 /nfs/dbraw/zinc/57/60/24/564576024.db2.gz GMXDUJKSIORFGY-UHFFFAOYSA-N 0 3 382.306 2.682 20 30 GFEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593101668 565314282 /nfs/dbraw/zinc/31/42/82/565314282.db2.gz QYWAKGLJYVCSSU-YOEHRIQHSA-N 0 3 376.298 2.806 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000594431003 565384168 /nfs/dbraw/zinc/38/41/68/565384168.db2.gz FNEPHJLIVIDXAR-CVEARBPZSA-N 0 3 380.286 2.760 20 30 GFEDHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](N)CCCCC#N ZINC000594435104 565385292 /nfs/dbraw/zinc/38/52/92/565385292.db2.gz AMCIOOOIPKOHLT-CQSZACIVSA-N 0 3 395.301 2.614 20 30 GFEDHN N#CC1(C[C@@H](O)CNCc2ccc(Br)c(F)c2F)CCOCC1 ZINC000600761542 565747658 /nfs/dbraw/zinc/74/76/58/565747658.db2.gz KVCLFAINMZCDCC-GFCCVEGCSA-N 0 3 389.240 2.888 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858909 565871700 /nfs/dbraw/zinc/87/17/00/565871700.db2.gz CPAONBNJZUWZHX-OKILXGFUSA-N 0 3 379.302 2.696 20 30 GFEDHN C#CC[N@@H+](Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735374822 598850205 /nfs/dbraw/zinc/85/02/05/598850205.db2.gz MBVGVMKTFKKGAW-UHFFFAOYSA-N 0 3 376.468 2.659 20 30 GFEDHN C#CC[N@H+](Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735374822 598850207 /nfs/dbraw/zinc/85/02/07/598850207.db2.gz MBVGVMKTFKKGAW-UHFFFAOYSA-N 0 3 376.468 2.659 20 30 GFEDHN N#Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737705232 598919050 /nfs/dbraw/zinc/91/90/50/598919050.db2.gz OVAJMQBTCJHKLC-INIZCTEOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737705232 598919052 /nfs/dbraw/zinc/91/90/52/598919052.db2.gz OVAJMQBTCJHKLC-INIZCTEOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737705232 598919054 /nfs/dbraw/zinc/91/90/54/598919054.db2.gz OVAJMQBTCJHKLC-INIZCTEOSA-N 0 3 387.447 2.589 20 30 GFEDHN N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737705232 598919056 /nfs/dbraw/zinc/91/90/56/598919056.db2.gz OVAJMQBTCJHKLC-INIZCTEOSA-N 0 3 387.447 2.589 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735399976 598372143 /nfs/dbraw/zinc/37/21/43/598372143.db2.gz YJEXMROXVFWCNY-UHFFFAOYSA-N 0 3 375.864 2.682 20 30 GFEDHN C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735399976 598372141 /nfs/dbraw/zinc/37/21/41/598372141.db2.gz YJEXMROXVFWCNY-UHFFFAOYSA-N 0 3 375.864 2.682 20 30 GFEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000820843104 599438551 /nfs/dbraw/zinc/43/85/51/599438551.db2.gz SZSCBWQVHQBQNQ-MRXNPFEDSA-N 0 3 378.436 2.846 20 30 GFEDHN CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H](N)CCCC#N ZINC000818220379 660219793 /nfs/dbraw/zinc/21/97/93/660219793.db2.gz JSLMSHFMVXHDJE-LLVKDONJSA-N 0 3 383.246 2.977 20 30 GFEDHN C=CCN1CCC(NC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC1 ZINC000824514686 660395274 /nfs/dbraw/zinc/39/52/74/660395274.db2.gz HIWVQEHQJVPVEV-UHFFFAOYSA-N 0 3 380.905 2.969 20 30 GFEDHN N#CC(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccccn1 ZINC000041493261 654627628 /nfs/dbraw/zinc/62/76/28/654627628.db2.gz UYRODKRYMSTAPK-AWEZNQCLSA-N 0 3 398.216 2.707 20 30 GFEDHN N#CC(C(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccccn1 ZINC000049457603 654715386 /nfs/dbraw/zinc/71/53/86/654715386.db2.gz WVHQETHFXOQDHK-ZDUSSCGKSA-N 0 3 390.212 2.980 20 30 GFEDHN O=C(NCCN[C@H]1CCc2c1cc(Br)cc2F)C1N=CC=CC1=O ZINC000271452285 655081716 /nfs/dbraw/zinc/08/17/16/655081716.db2.gz IKGCLGIJOGFSAH-HYEKCJMVSA-N 0 3 394.244 2.692 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cc(Br)cs1 ZINC000107408276 655120654 /nfs/dbraw/zinc/12/06/54/655120654.db2.gz UAGBKZRKRJAJAD-CYBMUJFWSA-N 0 3 387.299 2.695 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109758028 655151590 /nfs/dbraw/zinc/15/15/90/655151590.db2.gz BXELJWZKMAOYEO-ZFWWWQNUSA-N 0 3 375.778 2.928 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000786930985 657490748 /nfs/dbraw/zinc/49/07/48/657490748.db2.gz SHQUBLJOHWIUBV-UMNHJUIQSA-N 0 3 382.247 2.932 20 30 GFEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801525293 659401798 /nfs/dbraw/zinc/40/17/98/659401798.db2.gz HZRKWSGKVXXOAR-UHFFFAOYSA-N 0 3 393.245 2.599 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cn3c(Br)cnc3s2)CC1 ZINC000815472349 660123477 /nfs/dbraw/zinc/12/34/77/660123477.db2.gz USQHSKFUSLXFOQ-UHFFFAOYSA-N 0 3 383.315 2.929 20 30 GFEDHN C#CCOCCN1CCC(Oc2ccccc2I)CC1 ZINC000851802688 661833056 /nfs/dbraw/zinc/83/30/56/661833056.db2.gz KEHFVPDQVGZTCA-UHFFFAOYSA-N 0 3 385.245 2.784 20 30 GFEDHN N#CC(C(=O)c1cc(Br)cn2ccnc12)c1nnc2n1CCCCC2 ZINC000870163316 662677353 /nfs/dbraw/zinc/67/73/53/662677353.db2.gz XKVVATGRHILKBN-CYBMUJFWSA-N 0 3 399.252 2.905 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(CC)ccc2Br)CC1 ZINC000873734653 662812863 /nfs/dbraw/zinc/81/28/63/662812863.db2.gz LWAPZSYOJZYYBD-UHFFFAOYSA-N 0 3 394.313 2.717 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000876548869 662862622 /nfs/dbraw/zinc/86/26/22/662862622.db2.gz AAIJPLPSCZQUGN-HNNXBMFYSA-N 0 3 385.917 2.578 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C ZINC000876563421 662862817 /nfs/dbraw/zinc/86/28/17/662862817.db2.gz GUCQYUINGHNBER-OAHLLOKOSA-N 0 3 387.933 2.742 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000876780633 662866293 /nfs/dbraw/zinc/86/62/93/662866293.db2.gz XALYBLYCASFBMZ-ZIAGYGMSSA-N 0 3 378.929 2.971 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000877260794 662872600 /nfs/dbraw/zinc/87/26/00/662872600.db2.gz DQPQNOKGEWYUSY-ZDUSSCGKSA-N 0 3 385.917 2.804 20 30 GFEDHN CN(Cc1cc(Br)ccc1F)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884116877 663065545 /nfs/dbraw/zinc/06/55/45/663065545.db2.gz IJJCVAJXCFLAFY-UIORMTCPSA-N 0 3 380.261 2.686 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)Nc1ccc(I)cc1F)C2 ZINC000884402271 663070211 /nfs/dbraw/zinc/07/02/11/663070211.db2.gz OSDKKHBGFFSUGT-KGXJWFGYSA-N 0 3 399.207 2.508 20 30 GFEDHN Cc1cc(N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)n1 ZINC000896390829 663554602 /nfs/dbraw/zinc/55/46/02/663554602.db2.gz HLHKQHAUHURFSA-KNVOCYPGSA-N 0 3 376.251 2.974 20 30 GFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000906245039 663933859 /nfs/dbraw/zinc/93/38/59/663933859.db2.gz IPPGHLWWHDGMMP-AWEZNQCLSA-N 0 3 392.714 2.570 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)CCSc1nc2ccccc2s1 ZINC000916870046 664473323 /nfs/dbraw/zinc/47/33/23/664473323.db2.gz DLDLYVUPNIUSAD-LBPRGKRZSA-N 0 3 377.491 2.640 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)CCCCc1ccc(Br)cc1 ZINC000916890845 664473692 /nfs/dbraw/zinc/47/36/92/664473692.db2.gz ORUYKPVGBCHCNX-OAHLLOKOSA-N 0 3 381.270 2.633 20 30 GFEDHN CS(=O)(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916906726 664474141 /nfs/dbraw/zinc/47/41/41/664474141.db2.gz STXLPOBVJPVJAA-ZDUSSCGKSA-N 0 3 376.821 2.705 20 30 GFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000917137796 664476939 /nfs/dbraw/zinc/47/69/39/664476939.db2.gz XGVQXIBYIDBCKJ-OAHLLOKOSA-N 0 3 394.317 2.736 20 30 GFEDHN CCN(C(=O)Nc1ccc(C#N)cc1I)[C@H]1CCN(C)C1 ZINC000932553960 664827838 /nfs/dbraw/zinc/82/78/38/664827838.db2.gz SVEYDXGXMIGBBL-LBPRGKRZSA-N 0 3 398.248 2.721 20 30 GFEDHN N#CCc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164981105 722150469 /nfs/dbraw/zinc/15/04/69/722150469.db2.gz OLBVGLJKRLNNKS-ICSRJNTNSA-N 0 3 397.910 2.923 20 30 GFEDHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155254585 551495883 /nfs/dbraw/zinc/49/58/83/551495883.db2.gz SQHKARFMLPQERV-HUUCEWRRSA-N 0 3 398.326 2.568 20 30 GFEDHN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000178500103 552171522 /nfs/dbraw/zinc/17/15/22/552171522.db2.gz WXHYRNRIJXTKNR-UHFFFAOYSA-N 0 3 375.416 2.731 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)n1 ZINC000180525386 552229207 /nfs/dbraw/zinc/22/92/07/552229207.db2.gz NSADIUVEJVOKAO-UHFFFAOYSA-N 0 3 387.281 2.920 20 30 GFEDHN C#CCSCCN[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000181094859 552246591 /nfs/dbraw/zinc/24/65/91/552246591.db2.gz IHPQITNUOGHJSX-OAHLLOKOSA-N 0 3 378.519 2.775 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246579463 553110258 /nfs/dbraw/zinc/11/02/58/553110258.db2.gz SCMWTFOOFOBMBV-KSSFIOAISA-N 0 3 379.913 2.849 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(Cl)c1 ZINC000248558423 553131159 /nfs/dbraw/zinc/13/11/59/553131159.db2.gz MABKRHTZRJWVEY-YOEHRIQHSA-N 0 3 379.913 2.849 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000296816038 563303007 /nfs/dbraw/zinc/30/30/07/563303007.db2.gz IYKMKDNJNSOQML-MRXNPFEDSA-N 0 3 379.302 2.550 20 30 GFEDHN C[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)N(C)C ZINC000298668989 563363338 /nfs/dbraw/zinc/36/33/38/563363338.db2.gz IIWMJPIUECSVRM-LLVKDONJSA-N 0 3 376.511 2.774 20 30 GFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000424132160 563371682 /nfs/dbraw/zinc/37/16/82/563371682.db2.gz VUVASHOKGCSHIS-MRXNPFEDSA-N 0 3 390.285 2.848 20 30 GFEDHN C[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000374651052 563378662 /nfs/dbraw/zinc/37/86/62/563378662.db2.gz ZGLIDCMSFWBUFG-WMLDXEAASA-N 0 3 377.330 2.783 20 30 GFEDHN COc1ncc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1Br ZINC000425286667 563416821 /nfs/dbraw/zinc/41/68/21/563416821.db2.gz QOIBJIZWRFIPHR-NSHDSACASA-N 0 3 390.241 2.661 20 30 GFEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C ZINC000329731397 563486793 /nfs/dbraw/zinc/48/67/93/563486793.db2.gz PSUARJQHHNWRTA-KFWWJZLASA-N 0 3 385.555 2.731 20 30 GFEDHN N#Cc1ccc2ncc(CNC[C@H](CO)Cc3ccccc3Br)n2c1 ZINC000428536586 563494893 /nfs/dbraw/zinc/49/48/93/563494893.db2.gz NBPZRPRHVJNRES-OAHLLOKOSA-N 0 3 399.292 2.909 20 30 GFEDHN N#Cc1cccc(NC(=O)CCN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000428796413 563502342 /nfs/dbraw/zinc/50/23/42/563502342.db2.gz XKVULAQGBVRIFD-KRWDZBQOSA-N 0 3 388.265 2.973 20 30 GFEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330371203 563502673 /nfs/dbraw/zinc/50/26/73/563502673.db2.gz IAMHUDNVRDCFMI-LBPRGKRZSA-N 0 3 375.416 2.587 20 30 GFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000285463053 563521930 /nfs/dbraw/zinc/52/19/30/563521930.db2.gz ZLPITCRSNPISDV-TZMCWYRMSA-N 0 3 398.326 2.568 20 30 GFEDHN Cc1c(Br)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)n1C ZINC000447628960 563883288 /nfs/dbraw/zinc/88/32/88/563883288.db2.gz LIRHZZFCMGOWCS-GFCCVEGCSA-N 0 3 397.232 2.890 20 30 GFEDHN COc1ccc(Br)cc1C[C@H](CO)CNCc1ccc(C#N)o1 ZINC000449686565 564197190 /nfs/dbraw/zinc/19/71/90/564197190.db2.gz ZCKIBTBWHJSWQQ-LBPRGKRZSA-N 0 3 379.254 2.863 20 30 GFEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450098364 564216184 /nfs/dbraw/zinc/21/61/84/564216184.db2.gz VDTGHHFXXUVWIS-IUODEOHRSA-N 0 3 380.286 2.544 20 30 GFEDHN CSc1nc(C2CC2)cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1C#N ZINC000540124310 564240175 /nfs/dbraw/zinc/24/01/75/564240175.db2.gz HSWBDJNWAQTRRY-HOTGVXAUSA-N 0 3 376.551 2.670 20 30 GFEDHN CS[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1N1CCCC1 ZINC000542772267 564326031 /nfs/dbraw/zinc/32/60/31/564326031.db2.gz BDZXKEQRYKYGAD-MSOLQXFVSA-N 0 3 375.563 2.830 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000510328197 564329878 /nfs/dbraw/zinc/32/98/78/564329878.db2.gz YARHZOJZVASNCS-UHFFFAOYSA-N 0 3 377.286 2.867 20 30 GFEDHN N#Cc1ncn(CCNCc2cnc(-c3ccc(Br)cc3)s2)n1 ZINC000512889154 564415191 /nfs/dbraw/zinc/41/51/91/564415191.db2.gz DJCMZMDDIMGDNK-UHFFFAOYSA-N 0 3 389.282 2.826 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H]2COCCO2)cc1OCC ZINC000513644115 564435806 /nfs/dbraw/zinc/43/58/06/564435806.db2.gz UQMDRVFHFHAQSM-CQSZACIVSA-N 0 3 386.286 2.918 20 30 GFEDHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000546731906 564465925 /nfs/dbraw/zinc/46/59/25/564465925.db2.gz MGOIVZSSYVJIMQ-CYBMUJFWSA-N 0 3 375.416 2.587 20 30 GFEDHN CN1CCC(CNc2ccc(C#N)cc2Br)(N2CCOCC2)CC1 ZINC000576008205 564704896 /nfs/dbraw/zinc/70/48/96/564704896.db2.gz ZZRCPXWESHWACD-UHFFFAOYSA-N 0 3 393.329 2.529 20 30 GFEDHN CN1CCN(CC2CCN(c3cc(Br)c(C#N)cc3F)CC2)CC1 ZINC000579613672 564749566 /nfs/dbraw/zinc/74/95/66/564749566.db2.gz YQOSEQYVPLEMMF-UHFFFAOYSA-N 0 3 395.320 2.924 20 30 GFEDHN N#Cc1ccc(OCC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Br ZINC000562662986 565038365 /nfs/dbraw/zinc/03/83/65/565038365.db2.gz FILSFZNKXLILFC-OAHLLOKOSA-N 0 3 392.297 2.786 20 30 GFEDHN N[C@@H]1CN(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC[C@H]1F ZINC000659435363 565216741 /nfs/dbraw/zinc/21/67/41/565216741.db2.gz AMTDKEUFRGDQPQ-OINDSLJFSA-N 0 3 379.320 2.977 20 30 GFEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623491489 565514354 /nfs/dbraw/zinc/51/43/54/565514354.db2.gz WMMFJOOPVUUIAO-INIZCTEOSA-N 0 3 389.323 2.731 20 30 GFEDHN N#CC1(C[C@H](O)CN[C@@H]2CCOc3ccc(Br)cc32)CCOCC1 ZINC000600720872 565747184 /nfs/dbraw/zinc/74/71/84/565747184.db2.gz RHDJIBBHHSABPC-GOEBONIOSA-N 0 3 395.297 2.934 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)c(Cl)c1 ZINC000601518921 565789429 /nfs/dbraw/zinc/78/94/29/565789429.db2.gz HROHRIFEVATFNG-UHFFFAOYSA-N 0 3 376.869 2.508 20 30 GFEDHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](N)CCCCC#N ZINC000602580669 565856215 /nfs/dbraw/zinc/85/62/15/565856215.db2.gz YJPCPPUAZGZTFH-HOCLYGCPSA-N 0 3 388.295 2.603 20 30 GFEDHN N#Cc1cnn2cc(CN[C@@H]3[C@H]4Cc5c(cccc5Br)[C@@H]34)cnc12 ZINC000602729149 565865223 /nfs/dbraw/zinc/86/52/23/565865223.db2.gz RGIKOINKJFNAEP-USXIJHARSA-N 0 3 380.249 2.791 20 30 GFEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)C[C@@H](C)N1CC#N ZINC000602852588 565870335 /nfs/dbraw/zinc/87/03/35/565870335.db2.gz CZCCRQPBZUJIEZ-ZIAGYGMSSA-N 0 3 379.302 2.696 20 30 GFEDHN C#CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380158 598836712 /nfs/dbraw/zinc/83/67/12/598836712.db2.gz DMIYHQUIHYNZHE-UHFFFAOYSA-N 0 3 379.489 2.902 20 30 GFEDHN C#CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380158 598836714 /nfs/dbraw/zinc/83/67/14/598836714.db2.gz DMIYHQUIHYNZHE-UHFFFAOYSA-N 0 3 379.489 2.902 20 30 GFEDHN C=CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894444 608537698 /nfs/dbraw/zinc/53/76/98/608537698.db2.gz QJDGNJLUJJZZQM-UYAOXDASSA-N 0 3 379.464 2.904 20 30 GFEDHN CC(C)(CCC#N)C[NH+]1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000824153011 608656103 /nfs/dbraw/zinc/65/61/03/608656103.db2.gz XYSANDPMJDGSHF-UHFFFAOYSA-N 0 3 390.495 2.867 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824555114 609332980 /nfs/dbraw/zinc/33/29/80/609332980.db2.gz UTYZVHASKJRTOW-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824555114 609332982 /nfs/dbraw/zinc/33/29/82/609332982.db2.gz UTYZVHASKJRTOW-CYBMUJFWSA-N 0 3 392.442 2.592 20 30 GFEDHN N#CCOc1cccc(NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826382037 609366599 /nfs/dbraw/zinc/36/65/99/609366599.db2.gz LTNKWINSZPQWFY-UHFFFAOYSA-N 0 3 389.463 2.846 20 30 GFEDHN N#CCOc1cccc(NC2CC[NH+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826382037 609366600 /nfs/dbraw/zinc/36/66/00/609366600.db2.gz LTNKWINSZPQWFY-UHFFFAOYSA-N 0 3 389.463 2.846 20 30 GFEDHN N#CCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC000826380731 609428992 /nfs/dbraw/zinc/42/89/92/609428992.db2.gz KVJONASBKIPKLU-UHFFFAOYSA-N 0 3 399.524 2.761 20 30 GFEDHN N#CCC1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC000826380731 609428993 /nfs/dbraw/zinc/42/89/93/609428993.db2.gz KVJONASBKIPKLU-UHFFFAOYSA-N 0 3 399.524 2.761 20 30 GFEDHN COC(=O)CCCN1CCC(N=Nc2ncc(Br)cc2C)CC1 ZINC000819827474 660270622 /nfs/dbraw/zinc/27/06/22/660270622.db2.gz KWTSUCJGFHZGJD-UHFFFAOYSA-N 0 3 383.290 2.969 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000836443651 660906082 /nfs/dbraw/zinc/90/60/82/660906082.db2.gz IOVPUKFWELNKLV-HNNXBMFYSA-N 0 3 380.286 2.527 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000836491160 660910564 /nfs/dbraw/zinc/91/05/64/660910564.db2.gz JBIZRGMNTUDOBO-OAHLLOKOSA-N 0 3 382.277 2.830 20 30 GFEDHN Cc1csc(N2CCCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000064636752 654873237 /nfs/dbraw/zinc/87/32/37/654873237.db2.gz ZGURQIYJBGOWOX-UHFFFAOYSA-N 0 3 375.523 2.926 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000066788623 654915610 /nfs/dbraw/zinc/91/56/10/654915610.db2.gz HPOBSBRXMADRFB-UHFFFAOYSA-N 0 3 387.281 2.919 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000109758024 655151524 /nfs/dbraw/zinc/15/15/24/655151524.db2.gz BXELJWZKMAOYEO-HIFRSBDPSA-N 0 3 375.778 2.928 20 30 GFEDHN C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182042394 655342189 /nfs/dbraw/zinc/34/21/89/655342189.db2.gz YRSRSWYMZBNMQI-AWEZNQCLSA-N 0 3 379.507 2.622 20 30 GFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc2n[nH]nc2c1 ZINC000783076933 657205963 /nfs/dbraw/zinc/20/59/63/657205963.db2.gz NHLVUTXNSNNNMD-SECBINFHSA-N 0 3 375.175 2.621 20 30 GFEDHN C=CCS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000783535669 657237890 /nfs/dbraw/zinc/23/78/90/657237890.db2.gz FJTSCFQMLVYSMU-LBPRGKRZSA-N 0 3 378.416 2.613 20 30 GFEDHN Clc1cccc(CNN=C2CCN(CCN3CCOCC3)CC2)c1Cl ZINC000790181644 657933974 /nfs/dbraw/zinc/93/39/74/657933974.db2.gz TTXSWBDVCRWKDM-UHFFFAOYSA-N 0 3 385.339 2.867 20 30 GFEDHN CO[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1Br ZINC000847625341 661602308 /nfs/dbraw/zinc/60/23/08/661602308.db2.gz JIAJSXFZJGEYLN-CJNGLKHVSA-N 0 3 379.254 2.904 20 30 GFEDHN CCN(CC)CCS(=O)(=O)Oc1c(F)cc(C#N)cc1Br ZINC000856758472 662042753 /nfs/dbraw/zinc/04/27/53/662042753.db2.gz ZQPPHBGYTZCGDT-UHFFFAOYSA-N 0 3 379.251 2.510 20 30 GFEDHN CCC1(N2CCOCC2)CCN(c2cc(Br)cnc2C#N)CC1 ZINC000858823542 662124216 /nfs/dbraw/zinc/12/42/16/662124216.db2.gz XCTYXAYIIXKUSL-UHFFFAOYSA-N 0 3 379.302 2.797 20 30 GFEDHN CC[C@H](C(=O)C(C#N)C(=O)NCCCOC)c1ccc(Br)cc1 ZINC000860462621 662201694 /nfs/dbraw/zinc/20/16/94/662201694.db2.gz WSIUYCQHVKPFHJ-LSDHHAIUSA-N 0 3 381.270 2.804 20 30 GFEDHN COC[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1cccc(Br)c1 ZINC000872236755 662758839 /nfs/dbraw/zinc/75/88/39/662758839.db2.gz WTBJSAPQFRASPX-IAGOWNOFSA-N 0 3 397.313 2.798 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000876577273 662863076 /nfs/dbraw/zinc/86/30/76/662863076.db2.gz UKUWYXCVXKPNQO-AWEZNQCLSA-N 0 3 390.698 2.748 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(Br)cc1 ZINC000876597422 662863165 /nfs/dbraw/zinc/86/31/65/662863165.db2.gz YWISPJHWDIPLSD-OLZOCXBDSA-N 0 3 389.677 2.639 20 30 GFEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CC3(CC3)c3ccc(Br)cc31)C2 ZINC000884432976 663070692 /nfs/dbraw/zinc/07/06/92/663070692.db2.gz WTYOHAVTHPTCIL-FWHMADFJSA-N 0 3 386.293 2.967 20 30 GFEDHN C#CCN(C(=O)CCc1ccc(OC)cc1Br)C1CCN(C)CC1 ZINC000886573540 663114082 /nfs/dbraw/zinc/11/40/82/663114082.db2.gz MRBOBLYJTHAYSQ-UHFFFAOYSA-N 0 3 393.325 2.946 20 30 GFEDHN CO[C@]1(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCOC1 ZINC000897054921 663588718 /nfs/dbraw/zinc/58/87/18/663588718.db2.gz LOTAVDOCEVQSQY-GUBZILKMSA-N 0 3 383.279 2.895 20 30 GFEDHN CS(=O)(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916906724 664474105 /nfs/dbraw/zinc/47/41/05/664474105.db2.gz STXLPOBVJPVJAA-CYBMUJFWSA-N 0 3 376.821 2.705 20 30 GFEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916931398 664474579 /nfs/dbraw/zinc/47/45/79/664474579.db2.gz KBPWZEASKBYZFD-PSASIEDQSA-N 0 3 398.275 2.950 20 30 GFEDHN N#Cc1ccc(Br)c(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000922109912 664586307 /nfs/dbraw/zinc/58/63/07/664586307.db2.gz MDWDRGUQICLGHJ-RHSMWYFYSA-N 0 3 379.298 2.978 20 30 GFEDHN N#Cc1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986039 722103070 /nfs/dbraw/zinc/10/30/70/722103070.db2.gz XUMQNUXRACBAAM-QFBILLFUSA-N 0 3 383.883 2.729 20 30 GFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 ZINC000041518873 551135861 /nfs/dbraw/zinc/13/58/61/551135861.db2.gz NLUWHDKKBDZNJO-RISCZKNCSA-N 0 3 375.475 2.652 20 30 GFEDHN CC(C)N(CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000055985178 551175221 /nfs/dbraw/zinc/17/52/21/551175221.db2.gz PQYITPIHDJKXAB-UHFFFAOYSA-N 0 3 377.432 2.974 20 30 GFEDHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CCCSCC#N)C2)cc1 ZINC000174134034 552099970 /nfs/dbraw/zinc/09/99/70/552099970.db2.gz JQJBRFYSVCQVIP-QGZVFWFLSA-N 0 3 381.567 2.632 20 30 GFEDHN CN(C)C1(CN(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCC1 ZINC000189136194 552464137 /nfs/dbraw/zinc/46/41/37/552464137.db2.gz VWZPPLUSAJAKJF-UHFFFAOYSA-N 0 3 375.416 2.682 20 30 GFEDHN C=CCN(CCOC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000191076997 552518309 /nfs/dbraw/zinc/51/83/09/552518309.db2.gz YBMXNSCLFRDOJE-CYBMUJFWSA-N 0 3 378.694 2.977 20 30 GFEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)cc2I)CC1 ZINC000192401446 552561958 /nfs/dbraw/zinc/56/19/58/552561958.db2.gz JKRXFCCKTVLXSH-UHFFFAOYSA-N 0 3 398.244 2.584 20 30 GFEDHN C=CCOc1c(Br)cc(CN(C[C@@H](O)CO)C(C)C)cc1OC ZINC000421407628 563309254 /nfs/dbraw/zinc/30/92/54/563309254.db2.gz JQFUMLFZOIZCTC-CQSZACIVSA-N 0 3 388.302 2.586 20 30 GFEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000424069096 563369477 /nfs/dbraw/zinc/36/94/77/563369477.db2.gz UHFWVRQFZFGFKB-AWEZNQCLSA-N 0 3 376.258 2.654 20 30 GFEDHN N#CCCC[C@H](N)C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000424136274 563371688 /nfs/dbraw/zinc/37/16/88/563371688.db2.gz NRAWKVDGFGFXQU-AWEZNQCLSA-N 0 3 376.258 2.654 20 30 GFEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000424170937 563372625 /nfs/dbraw/zinc/37/26/25/563372625.db2.gz LLBDBASKLQEZIA-LBPRGKRZSA-N 0 3 391.640 2.582 20 30 GFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329239177 563476455 /nfs/dbraw/zinc/47/64/55/563476455.db2.gz QDJSXTBLCYJFIV-HUUCEWRRSA-N 0 3 385.555 2.732 20 30 GFEDHN C[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCN1C ZINC000329592040 563483049 /nfs/dbraw/zinc/48/30/49/563483049.db2.gz BURVEUFFJOIYEZ-KGLIPLIRSA-N 0 3 385.555 2.710 20 30 GFEDHN CCN1CCC[C@H]1CNC(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329624622 563483940 /nfs/dbraw/zinc/48/39/40/563483940.db2.gz OGWJRRROSAKUHB-HNNXBMFYSA-N 0 3 382.302 2.872 20 30 GFEDHN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000330268231 563500023 /nfs/dbraw/zinc/50/00/23/563500023.db2.gz QZZOFTNMOSVXHC-ZDUSSCGKSA-N 0 3 381.267 2.900 20 30 GFEDHN C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C[NH+](C)C ZINC000330671115 563516640 /nfs/dbraw/zinc/51/66/40/563516640.db2.gz MQJXNFDBEMRNJK-NSHDSACASA-N 0 3 388.331 2.575 20 30 GFEDHN CN(CCC#N)C(=O)CCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000368924260 563882433 /nfs/dbraw/zinc/88/24/33/563882433.db2.gz JHHODDCBTREXTI-OAHLLOKOSA-N 0 3 380.286 2.967 20 30 GFEDHN Cc1c(Br)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c(=O)n1C ZINC000447628963 563883658 /nfs/dbraw/zinc/88/36/58/563883658.db2.gz LIRHZZFCMGOWCS-LBPRGKRZSA-N 0 3 397.232 2.890 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000451676272 564339370 /nfs/dbraw/zinc/33/93/70/564339370.db2.gz DXOIIHCPDLPZET-SJORKVTESA-N 0 3 397.313 2.610 20 30 GFEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000451882201 564362404 /nfs/dbraw/zinc/36/24/04/564362404.db2.gz CJCHLUYAVOIHAO-IAQYHMDHSA-N 0 3 375.778 2.785 20 30 GFEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000567709980 564384514 /nfs/dbraw/zinc/38/45/14/564384514.db2.gz FAVIOBJERHIPGM-SJORKVTESA-N 0 3 384.293 2.835 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCSCC(F)(F)F)cc1 ZINC000481003155 564499853 /nfs/dbraw/zinc/49/98/53/564499853.db2.gz UGYCSRKLDRQTQA-SNVBAGLBSA-N 0 3 395.428 2.789 20 30 GFEDHN N#Cc1ccc(OCCNC[C@H](O)COc2ccc(Br)cc2)cc1 ZINC000573477571 564640800 /nfs/dbraw/zinc/64/08/00/564640800.db2.gz HVBAXPNDWMRNKV-INIZCTEOSA-N 0 3 391.265 2.729 20 30 GFEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000584860130 565101028 /nfs/dbraw/zinc/10/10/28/565101028.db2.gz MQBIBWMTMGQURQ-LBPRGKRZSA-N 0 3 377.432 2.976 20 30 GFEDHN CN(C)CCn1cc(NC(=O)Nc2ccc(C#N)c(Br)c2)cn1 ZINC000588313376 565133818 /nfs/dbraw/zinc/13/38/18/565133818.db2.gz MGOKBRFWPGQWLG-UHFFFAOYSA-N 0 3 377.246 2.723 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nscc1Br ZINC000593059892 565310456 /nfs/dbraw/zinc/31/04/56/565310456.db2.gz NXASBCFJPUFDLG-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](N)CCCCC#N ZINC000594439924 565385379 /nfs/dbraw/zinc/38/53/79/565385379.db2.gz TTWUQMBZKJZKRF-AWEZNQCLSA-N 0 3 395.301 2.614 20 30 GFEDHN CCN1CCN(Cc2ccccc2CNc2nc(C#N)c(Cl)s2)CC1 ZINC000596073197 565512313 /nfs/dbraw/zinc/51/23/13/565512313.db2.gz HFZQDLGLAHQXAY-UHFFFAOYSA-N 0 3 375.929 2.840 20 30 GFEDHN CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCN(CC)C1 ZINC000598040245 565589472 /nfs/dbraw/zinc/58/94/72/565589472.db2.gz NXMQLUYVLJIXGT-CQSZACIVSA-N 0 3 380.286 2.642 20 30 GFEDHN Cc1cc(N2CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)C2=O)ccc1Br ZINC000598725795 565637092 /nfs/dbraw/zinc/63/70/92/565637092.db2.gz ZYDIEBHTYSECPE-GOEBONIOSA-N 0 3 394.313 2.753 20 30 GFEDHN Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000611394654 566129416 /nfs/dbraw/zinc/12/94/16/566129416.db2.gz VQNIPVMCSPMERS-QGZVFWFLSA-N 0 3 375.519 2.874 20 30 GFEDHN C=CC[NH+]1CCC(Nc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000819751694 599540773 /nfs/dbraw/zinc/54/07/73/599540773.db2.gz ZLJNASXQVYDCRV-UHFFFAOYSA-N 0 3 387.850 2.692 20 30 GFEDHN C=CC[NH+]1CCC(Nc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000819751694 599540774 /nfs/dbraw/zinc/54/07/74/599540774.db2.gz ZLJNASXQVYDCRV-UHFFFAOYSA-N 0 3 387.850 2.692 20 30 GFEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[C@@H](C)CCN2)nc1C ZINC000817910631 660211886 /nfs/dbraw/zinc/21/18/86/660211886.db2.gz CELKCMCVNFVTPZ-GXSJLCMTSA-N 0 3 378.527 2.511 20 30 GFEDHN C#CCN(C)CCCNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000838622742 661050993 /nfs/dbraw/zinc/05/09/93/661050993.db2.gz ZKKLFXBQXVUVSS-IRXDYDNUSA-N 0 3 384.307 2.548 20 30 GFEDHN C=CCOC[C@H]1NC(=O)N([C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530215435 655420475 /nfs/dbraw/zinc/42/04/75/655420475.db2.gz XHTNZGBVJCMMQC-CABCVRRESA-N 0 3 386.279 2.719 20 30 GFEDHN CC(=O)NCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000743449283 655729262 /nfs/dbraw/zinc/72/92/62/655729262.db2.gz KBLQKJAHCWZMPU-GFCCVEGCSA-N 0 3 375.837 2.999 20 30 GFEDHN C#CCN(C)CCCNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000841439358 661265715 /nfs/dbraw/zinc/26/57/15/661265715.db2.gz NLMIBFHZWJNNNP-UHFFFAOYSA-N 0 3 379.298 2.561 20 30 GFEDHN C#CCN(C)CCCNC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000852359915 661862267 /nfs/dbraw/zinc/86/22/67/661862267.db2.gz PITLAQDWBNDWLL-INIZCTEOSA-N 0 3 396.354 2.991 20 30 GFEDHN CC[C@@H](C(=O)C(C#N)C(=O)NCCCOC)c1ccc(Br)cc1 ZINC000860462620 662201755 /nfs/dbraw/zinc/20/17/55/662201755.db2.gz WSIUYCQHVKPFHJ-HUUCEWRRSA-N 0 3 381.270 2.804 20 30 GFEDHN C=CCN1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865193512 662403684 /nfs/dbraw/zinc/40/36/84/662403684.db2.gz MEFCPXUVXHVEOT-UHFFFAOYSA-N 0 3 382.258 2.666 20 30 GFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000876710097 662865209 /nfs/dbraw/zinc/86/52/09/662865209.db2.gz DVZWMLKSULIQJL-LBPRGKRZSA-N 0 3 392.750 2.625 20 30 GFEDHN CCN(Cc1cccc(Br)c1)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884080438 663064612 /nfs/dbraw/zinc/06/46/12/663064612.db2.gz VXFQLMYHCGJFEV-CSLYMUCUSA-N 0 3 376.298 2.937 20 30 GFEDHN N#C[C@H]1CNCC12CC(C(=O)N1CCc3c(F)cc(Br)cc3C1)C2 ZINC000884173435 663066425 /nfs/dbraw/zinc/06/64/25/663066425.db2.gz VUNBVRUOFPMDLL-XYEKJYRLSA-N 0 3 392.272 2.612 20 30 GFEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2sccc2Br)cc1 ZINC000905428467 663871186 /nfs/dbraw/zinc/87/11/86/663871186.db2.gz UEVWTDSNJZJYHH-UHFFFAOYSA-N 0 3 399.335 2.988 20 30 GFEDHN C=CCN1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000932141017 664810919 /nfs/dbraw/zinc/81/09/19/664810919.db2.gz MYOYATKBYBGWCK-UHFFFAOYSA-N 0 3 377.286 2.716 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000932141065 664811005 /nfs/dbraw/zinc/81/10/05/664811005.db2.gz OGZVAPUHUYIYEZ-HNNXBMFYSA-N 0 3 392.297 2.642 20 30 GFEDHN N#Cc1nc(Cl)c(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1C#N ZINC001164629328 719078818 /nfs/dbraw/zinc/07/88/18/719078818.db2.gz XKVCDQAFHQKRRK-CRAIPNDOSA-N 0 3 378.867 2.974 20 30 GFEDHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(C#N)n1 ZINC001164908077 721709507 /nfs/dbraw/zinc/70/95/07/721709507.db2.gz VDGFIDAPMUKFAK-LJQANCHMSA-N 0 3 384.434 2.789 20 30 GFEDHN C=CCN(CC=C)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)C(C)C ZINC000071951849 222199939 /nfs/dbraw/zinc/19/99/39/222199939.db2.gz ZVLYPLMZYDVPRP-LJQANCHMSA-N 0 3 392.569 2.977 20 30 GFEDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)c1[O-] ZINC000187342113 552412951 /nfs/dbraw/zinc/41/29/51/552412951.db2.gz NXBDTPHZJFNNJN-PTGFTAGUSA-N 0 3 394.269 2.640 20 30 GFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(I)c(OC)c(OC)c1 ZINC000449516677 564189897 /nfs/dbraw/zinc/18/98/97/564189897.db2.gz BRCIARRQVAPVID-OLZOCXBDSA-N 0 3 389.233 2.742 20 30 GFEDHN N#Cc1cc(Br)cnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000294973890 563223842 /nfs/dbraw/zinc/22/38/42/563223842.db2.gz LYCXSICJVPNQPD-QGZVFWFLSA-N 0 3 387.281 2.894 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@]2(O)CCO[C@@H]2C)cc1OC ZINC000278609557 563263329 /nfs/dbraw/zinc/26/33/29/563263329.db2.gz ISISBMHRLPIXJQ-SJKOYZFVSA-N 0 3 386.286 2.652 20 30 GFEDHN C[C@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1N1CCN(C)CC1 ZINC000377978608 563492296 /nfs/dbraw/zinc/49/22/96/563492296.db2.gz TWLIDXLVHSYCHY-WMLDXEAASA-N 0 3 377.330 2.783 20 30 GFEDHN N#Cc1cccc(NC(=O)CCN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000428796414 563501932 /nfs/dbraw/zinc/50/19/32/563501932.db2.gz XKVULAQGBVRIFD-QGZVFWFLSA-N 0 3 388.265 2.973 20 30 GFEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1 ZINC000330683088 563517664 /nfs/dbraw/zinc/51/76/64/563517664.db2.gz IKQQTDLIMQLPHY-LBPRGKRZSA-N 0 3 387.933 2.803 20 30 GFEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000286369715 563557985 /nfs/dbraw/zinc/55/79/85/563557985.db2.gz CFZCSWLHKQEZOZ-LBPRGKRZSA-N 0 3 384.307 2.937 20 30 GFEDHN COc1cc(CNC[C@H](O)COc2ccccc2Br)ccc1C#N ZINC000440625789 563746002 /nfs/dbraw/zinc/74/60/02/563746002.db2.gz DQSSBDFMHNVHMV-HNNXBMFYSA-N 0 3 391.265 2.859 20 30 GFEDHN COC1CCN(C(C)(C)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000448938201 563903368 /nfs/dbraw/zinc/90/33/68/563903368.db2.gz SVUDIIXBAZNBKI-UHFFFAOYSA-N 0 3 394.313 2.940 20 30 GFEDHN CN(C)C(=O)CCN1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000564261858 564226786 /nfs/dbraw/zinc/22/67/86/564226786.db2.gz PVZXBCUPZQYFJA-UHFFFAOYSA-N 0 3 379.302 2.675 20 30 GFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCc1nn(C)cc1Br)C(C)C ZINC000455371456 564550767 /nfs/dbraw/zinc/55/07/67/564550767.db2.gz IIGVHWZUTZHXCP-INIZCTEOSA-N 0 3 398.349 2.680 20 30 GFEDHN CN(C)C[C@H](CNS(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC000573926394 564660520 /nfs/dbraw/zinc/66/05/20/564660520.db2.gz XYBHFJYDRGFHGM-INIZCTEOSA-N 0 3 377.897 2.835 20 30 GFEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000459718178 564758852 /nfs/dbraw/zinc/75/88/52/564758852.db2.gz SASWELMPDWXMJM-AWEZNQCLSA-N 0 3 398.301 2.808 20 30 GFEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)[C@H]2CCCO2)cc1OC ZINC000527759136 564759235 /nfs/dbraw/zinc/75/92/35/564759235.db2.gz NNNKTLJILNMMAR-HUUCEWRRSA-N 0 3 386.286 2.652 20 30 GFEDHN C=CCN(CC=C)C(=O)CNC(C)(C)COc1ncccc1Br ZINC000537708041 565061658 /nfs/dbraw/zinc/06/16/58/565061658.db2.gz QVIOXIIPFUQNDL-UHFFFAOYSA-N 0 3 382.302 2.792 20 30 GFEDHN CN(CCC(=O)Nc1sccc1C#N)CCn1cc(Br)cn1 ZINC000588986491 565146291 /nfs/dbraw/zinc/14/62/91/565146291.db2.gz NWSXWTIDHFLNAJ-UHFFFAOYSA-N 0 3 382.287 2.539 20 30 GFEDHN CCC(C#N)C(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000593560673 565341728 /nfs/dbraw/zinc/34/17/28/565341728.db2.gz WDDQHNANGAXBKR-QMTHXVAHSA-N 0 3 392.253 2.680 20 30 GFEDHN N#CC1(c2ccc(CNCCNC(=O)c3ccc(Br)cn3)cc2)CC1 ZINC000594955576 565436939 /nfs/dbraw/zinc/43/69/39/565436939.db2.gz CDWUMSGEABBOME-UHFFFAOYSA-N 0 3 399.292 2.919 20 30 GFEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000595256750 565458770 /nfs/dbraw/zinc/45/87/70/565458770.db2.gz RZWXASPLSUGIDY-INIZCTEOSA-N 0 3 379.302 2.509 20 30 GFEDHN N#Cc1ccccc1OC[C@H](O)CNCCOc1ncc(Cl)cc1Cl ZINC000600729173 565747304 /nfs/dbraw/zinc/74/73/04/565747304.db2.gz FDSLRNFFNOPMIT-CQSZACIVSA-N 0 3 382.247 2.668 20 30 GFEDHN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCN(C)C ZINC000601449034 565785386 /nfs/dbraw/zinc/78/53/86/565785386.db2.gz MXBHHQOFPZCCGU-ZDUSSCGKSA-N 0 3 377.432 2.701 20 30 GFEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1ccccc1Br ZINC000602570033 565855468 /nfs/dbraw/zinc/85/54/68/565855468.db2.gz GPKDCEUXOPYJEC-LSDHHAIUSA-N 0 3 397.313 2.877 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000819743577 606838911 /nfs/dbraw/zinc/83/89/11/606838911.db2.gz MMCGWRJXXFELBP-GOSISDBHSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000819743577 606838914 /nfs/dbraw/zinc/83/89/14/606838914.db2.gz MMCGWRJXXFELBP-GOSISDBHSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000819743577 606838915 /nfs/dbraw/zinc/83/89/15/606838915.db2.gz MMCGWRJXXFELBP-GOSISDBHSA-N 0 3 397.527 2.542 20 30 GFEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000819743577 606838916 /nfs/dbraw/zinc/83/89/16/606838916.db2.gz MMCGWRJXXFELBP-GOSISDBHSA-N 0 3 397.527 2.542 20 30 GFEDHN CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H](N)CCCC#N ZINC000818220384 660219789 /nfs/dbraw/zinc/21/97/89/660219789.db2.gz JSLMSHFMVXHDJE-NSHDSACASA-N 0 3 383.246 2.977 20 30 GFEDHN C#CCN(C)CCCNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000818595582 660229451 /nfs/dbraw/zinc/22/94/51/660229451.db2.gz BPZMGATXANGCBL-UHFFFAOYSA-N 0 3 376.298 2.784 20 30 GFEDHN C#C[C@H](NCc1ccc(Br)cc1N1CCOCC1)C1CCOCC1 ZINC000827559206 660502386 /nfs/dbraw/zinc/50/23/86/660502386.db2.gz CLLCALWMNDTLQN-SFHVURJKSA-N 0 3 393.325 2.804 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000836491501 660910515 /nfs/dbraw/zinc/91/05/15/660910515.db2.gz UZKZAHNQJWKZRM-UHFFFAOYSA-N 0 3 382.277 2.611 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000124316796 654774144 /nfs/dbraw/zinc/77/41/44/654774144.db2.gz JSIOVNKJNRZLGY-ZDUSSCGKSA-N 0 3 377.491 2.666 20 30 GFEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)CCC2 ZINC000130681661 654891217 /nfs/dbraw/zinc/89/12/17/654891217.db2.gz JVSDBJZLFHERJS-UHFFFAOYSA-N 0 3 398.941 2.595 20 30 GFEDHN C=C(Br)CNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000069243977 654978078 /nfs/dbraw/zinc/97/80/78/654978078.db2.gz TUKBUHCPAQRPBR-UHFFFAOYSA-N 0 3 395.345 2.532 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nc(Br)cs1 ZINC000119354048 655300086 /nfs/dbraw/zinc/30/00/86/655300086.db2.gz XTHORZLREPARFR-UHFFFAOYSA-N 0 3 393.310 2.981 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000249726391 655434576 /nfs/dbraw/zinc/43/45/76/655434576.db2.gz OLVFVLUXTDAVQG-ARFHVFGLSA-N 0 3 393.281 2.804 20 30 GFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(F)cc(F)cc1Br ZINC000576702715 655451189 /nfs/dbraw/zinc/45/11/89/655451189.db2.gz MHGRCYKLEFPQPP-OLZOCXBDSA-N 0 3 375.213 2.989 20 30 GFEDHN COC(=O)CSCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000730920924 655579391 /nfs/dbraw/zinc/57/93/91/655579391.db2.gz RFEJQCYLUVAAHG-SNVBAGLBSA-N 0 3 389.260 2.937 20 30 GFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC000781450193 657057585 /nfs/dbraw/zinc/05/75/85/657057585.db2.gz COQKEUADKLMCER-ZDUSSCGKSA-N 0 3 396.204 2.748 20 30 GFEDHN N#Cc1ncc(Br)cc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000787892268 657617599 /nfs/dbraw/zinc/61/75/99/657617599.db2.gz MMCRUGYZHDSDPK-MRXNPFEDSA-N 0 3 387.281 2.547 20 30 GFEDHN COCCNC(=O)C(C#N)C(=O)Cc1sc(SC2CCCC2)nc1C ZINC000842290389 661331729 /nfs/dbraw/zinc/33/17/29/661331729.db2.gz XPAAZEZEJJHKIF-ZDUSSCGKSA-N 0 3 381.523 2.500 20 30 GFEDHN CN(Cc1cc(Br)ccc1F)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884116876 663065519 /nfs/dbraw/zinc/06/55/19/663065519.db2.gz IJJCVAJXCFLAFY-JZLYGMAVSA-N 0 3 380.261 2.686 20 30 GFEDHN COc1cc(OC)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1Br ZINC000884315091 663068884 /nfs/dbraw/zinc/06/88/84/663068884.db2.gz GDGMMFGGGASLKQ-GCULGPDHSA-N 0 3 394.269 2.544 20 30 GFEDHN C=CCC1(O)CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000886776538 663118055 /nfs/dbraw/zinc/11/80/55/663118055.db2.gz JEOYKLKSRSISFN-OAHLLOKOSA-N 0 3 388.277 2.731 20 30 GFEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000916917739 664474036 /nfs/dbraw/zinc/47/40/36/664474036.db2.gz MXUMJKBRANPFSB-OAHLLOKOSA-N 0 3 376.503 2.945 20 30 GFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000922628506 664608836 /nfs/dbraw/zinc/60/88/36/664608836.db2.gz DNSBZTLXSVASGN-INIZCTEOSA-N 0 3 379.302 2.646 20 30 GFEDHN C=CCN1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000932140738 664811007 /nfs/dbraw/zinc/81/10/07/664811007.db2.gz HNNBPVMVKLTLEH-CQSZACIVSA-N 0 3 392.297 2.642 20 30 GFEDHN CCN(C(=O)Nc1ccc(C#N)cc1I)[C@@H]1CCN(C)C1 ZINC000932553958 664827845 /nfs/dbraw/zinc/82/78/45/664827845.db2.gz SVEYDXGXMIGBBL-GFCCVEGCSA-N 0 3 398.248 2.721 20 30 GFEDHN N#CC1(c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)CCOCC1 ZINC001164726959 720428794 /nfs/dbraw/zinc/42/87/94/720428794.db2.gz CMGQUXKDOLZVPX-SFTDATJTSA-N 0 3 389.503 2.902 20 30 GFEDHN CC(C)c1ccc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164869492 721054037 /nfs/dbraw/zinc/05/40/37/721054037.db2.gz SZTAODCFQQSGFQ-WOJBJXKFSA-N 0 3 377.492 2.951 20 30 GFEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Br)CC1 ZINC000152430333 551432429 /nfs/dbraw/zinc/43/24/29/551432429.db2.gz FTLGNAHKCBOCBF-UHFFFAOYSA-N 0 3 394.313 2.853 20 30 GFEDHN CC(C#N)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC000427061713 563459055 /nfs/dbraw/zinc/45/90/55/563459055.db2.gz XDIPFSDNTUYFNH-LLVKDONJSA-N 0 3 384.217 2.821 20 30 GFEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000424136154 563371722 /nfs/dbraw/zinc/37/17/22/563371722.db2.gz NMWGMGZZVIZUON-ZWNOBZJWSA-N 0 3 392.257 2.697 20 30 GFEDHN C[C@@H](C[S@](C)=O)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000299029865 563373008 /nfs/dbraw/zinc/37/30/08/563373008.db2.gz RKBFLFFUJZMXPC-OCDDVZBJSA-N 0 3 381.567 2.772 20 30 GFEDHN CC1CCN(C[C@@H](O)CNC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000328675014 563463161 /nfs/dbraw/zinc/46/31/61/563463161.db2.gz QLNRKMGVXPMITC-INIZCTEOSA-N 0 3 396.329 2.925 20 30 GFEDHN Cc1ccc(Br)cc1NC(=O)CNC(=O)NC[C@@H]1CCCN1C ZINC000328750299 563464783 /nfs/dbraw/zinc/46/47/83/563464783.db2.gz QNHWTHJYCSJVSF-ZDUSSCGKSA-N 0 3 383.290 2.943 20 30 GFEDHN O=C(NCCN1CCCCC1)NCc1cc(Br)cc2c1OCC2 ZINC000329698953 563485915 /nfs/dbraw/zinc/48/59/15/563485915.db2.gz CXUPKVVAHKSUQG-UHFFFAOYSA-N 0 3 382.302 2.874 20 30 GFEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000330373943 563502832 /nfs/dbraw/zinc/50/28/32/563502832.db2.gz BPYMYKMUXBOJFL-CYBMUJFWSA-N 0 3 375.416 2.682 20 30 GFEDHN C[C@](CO)(NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000285630379 563529318 /nfs/dbraw/zinc/52/93/18/563529318.db2.gz ZZBBGCBSSPVTNN-QZTJIDSGSA-N 0 3 375.266 2.851 20 30 GFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 ZINC000398049205 563532755 /nfs/dbraw/zinc/53/27/55/563532755.db2.gz VMAWWTCQLKBZRR-YOEHRIQHSA-N 0 3 375.519 2.809 20 30 GFEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2nccs2)cc1 ZINC000289560645 563678393 /nfs/dbraw/zinc/67/83/93/563678393.db2.gz CRCVMFBQXRGLGF-LBPRGKRZSA-N 0 3 378.479 2.583 20 30 GFEDHN COC(=O)C[C@H]1CSCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000471205454 564189013 /nfs/dbraw/zinc/18/90/13/564189013.db2.gz XYHSIIMTFSFHDW-AWEZNQCLSA-N 0 3 381.885 2.521 20 30 GFEDHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000449926615 564209471 /nfs/dbraw/zinc/20/94/71/564209471.db2.gz MNXXCNQWGOVSLW-OCCSQVGLSA-N 0 3 380.286 2.641 20 30 GFEDHN CC(C)N1C[C@H](NC(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1 ZINC000450098366 564216440 /nfs/dbraw/zinc/21/64/40/564216440.db2.gz VDTGHHFXXUVWIS-WFASDCNBSA-N 0 3 380.286 2.544 20 30 GFEDHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000569395807 564462070 /nfs/dbraw/zinc/46/20/70/564462070.db2.gz LIUVRUHOVVKRON-GFCCVEGCSA-N 0 3 377.432 2.976 20 30 GFEDHN C[NH+](C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000487082409 564674480 /nfs/dbraw/zinc/67/44/80/564674480.db2.gz GXJNOPROXPADJS-QWHCGFSZSA-N 0 3 375.416 2.728 20 30 GFEDHN CSC1(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CCN(C)CC1 ZINC000593597472 565346650 /nfs/dbraw/zinc/34/66/50/565346650.db2.gz YRHWDRBROJTIRS-UHFFFAOYSA-N 0 3 381.567 2.593 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000594449588 565386610 /nfs/dbraw/zinc/38/66/10/565386610.db2.gz KVRHGCHOKAKAOA-QGZVFWFLSA-N 0 3 393.329 2.505 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000595256099 565459032 /nfs/dbraw/zinc/45/90/32/565459032.db2.gz AWOGHNFTYPYSHD-HZPDHXFCSA-N 0 3 380.286 2.760 20 30 GFEDHN C=C[C@H](CO)NCCOc1cc(Br)c(OC)cc1Br ZINC000595864042 565494567 /nfs/dbraw/zinc/49/45/67/565494567.db2.gz NPEMAJWSORLVED-SECBINFHSA-N 0 3 395.091 2.736 20 30 GFEDHN COc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1-c1nnn[n-]1 ZINC000826202732 607567810 /nfs/dbraw/zinc/56/78/10/607567810.db2.gz LFRKBMWCMLTNRY-UHFFFAOYSA-N 0 3 377.452 2.515 20 30 GFEDHN COc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1-c1nn[n-]n1 ZINC000826202732 607567813 /nfs/dbraw/zinc/56/78/13/607567813.db2.gz LFRKBMWCMLTNRY-UHFFFAOYSA-N 0 3 377.452 2.515 20 30 GFEDHN N#CC(C(=O)Nc1cccnc1)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000826378861 608494880 /nfs/dbraw/zinc/49/48/80/608494880.db2.gz CFEQVLOPJZJZLT-AWEZNQCLSA-N 0 3 388.416 2.631 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000826385013 608570880 /nfs/dbraw/zinc/57/08/80/608570880.db2.gz UBIOXEPLZHKXOG-UHFFFAOYSA-N 0 3 393.426 2.752 20 30 GFEDHN N#Cc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000826385013 608570881 /nfs/dbraw/zinc/57/08/81/608570881.db2.gz UBIOXEPLZHKXOG-UHFFFAOYSA-N 0 3 393.426 2.752 20 30 GFEDHN C#CCN(C)CCCNC(=O)c1cc(Br)nn1-c1ccc(C)cc1 ZINC000818611754 660230005 /nfs/dbraw/zinc/23/00/05/660230005.db2.gz BBXNVLYQZMHJGZ-UHFFFAOYSA-N 0 3 389.297 2.628 20 30 GFEDHN CN1CCN(C2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)CC1 ZINC000827450866 660496555 /nfs/dbraw/zinc/49/65/55/660496555.db2.gz ZGAIOFWUVZAFCA-UHFFFAOYSA-N 0 3 381.307 2.717 20 30 GFEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000124316959 654773965 /nfs/dbraw/zinc/77/39/65/654773965.db2.gz JSIOVNKJNRZLGY-CYBMUJFWSA-N 0 3 377.491 2.666 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Sc1ccc(Br)cc1 ZINC000125172592 654789112 /nfs/dbraw/zinc/78/91/12/654789112.db2.gz CJNAHLMFPXDRIH-BXUZGUMPSA-N 0 3 399.310 2.791 20 30 GFEDHN N#CC(C(=O)COc1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000126651845 654818011 /nfs/dbraw/zinc/81/80/11/654818011.db2.gz MVLUGQZYWWHDPP-INIZCTEOSA-N 0 3 387.233 2.853 20 30 GFEDHN Cc1ccc(NC(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000130680324 654891239 /nfs/dbraw/zinc/89/12/39/654891239.db2.gz NIRYHXIDYBDXGC-UHFFFAOYSA-N 0 3 386.930 2.723 20 30 GFEDHN C=CCOC[C@@H]1NC(=O)N([C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000530215438 655420469 /nfs/dbraw/zinc/42/04/69/655420469.db2.gz XHTNZGBVJCMMQC-LSDHHAIUSA-N 0 3 386.279 2.719 20 30 GFEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000793123100 658361447 /nfs/dbraw/zinc/36/14/47/658361447.db2.gz FAOORCNTAIKIBJ-CQSZACIVSA-N 0 3 381.219 2.591 20 30 GFEDHN N#Cc1ccc([C@@H](O)CN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000795347498 658809188 /nfs/dbraw/zinc/80/91/88/658809188.db2.gz BYMYHUGPEJPLDR-SJORKVTESA-N 0 3 379.229 2.816 20 30 GFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cc(Br)cn1 ZINC000842686108 661349097 /nfs/dbraw/zinc/34/90/97/661349097.db2.gz JZEKXALWGHEQMZ-RISCZKNCSA-N 0 3 375.226 2.944 20 30 GFEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000848398307 661645822 /nfs/dbraw/zinc/64/58/22/661645822.db2.gz SUAHCKOEZUBNTK-CVEARBPZSA-N 0 3 380.286 2.760 20 30 GFEDHN C=C(Cl)C[C@H]1NC(=O)N(c2ccc(CCN3CCSCC3)cc2)C1=O ZINC000864553873 662379699 /nfs/dbraw/zinc/37/96/99/662379699.db2.gz AWRMRRAYECGGNX-MRXNPFEDSA-N 0 3 379.913 2.845 20 30 GFEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC000870134487 662675627 /nfs/dbraw/zinc/67/56/27/662675627.db2.gz PWGBBZMNBCORPA-RKVPGOIHSA-N 0 3 393.281 2.588 20 30 GFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000876558517 662862833 /nfs/dbraw/zinc/86/28/33/662862833.db2.gz RVVRAOODFIVOLA-GFCCVEGCSA-N 0 3 388.693 2.624 20 30 GFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000906441258 663948235 /nfs/dbraw/zinc/94/82/35/663948235.db2.gz PVZVBNUSYVYYCJ-AWEZNQCLSA-N 0 3 392.714 2.570 20 30 GFEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916931399 664474494 /nfs/dbraw/zinc/47/44/94/664474494.db2.gz KBPWZEASKBYZFD-SCZZXKLOSA-N 0 3 398.275 2.950 20 30 GFEDHN