smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN[C@@H]1CN(C(=O)c2c[n-]n3c2nccc3=O)C[C@H]1C(F)(F)F ZINC001099318529 844020152 /nfs/dbraw/zinc/02/01/52/844020152.db2.gz XHXINFMSDVPSFZ-GHMZBOCLSA-N -1 3 355.320 0.801 20 30 FCEDHM CC(C)N1CC[C@@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000746904771 836202506 /nfs/dbraw/zinc/20/25/06/836202506.db2.gz BNAOZITXMXBBAK-GFCCVEGCSA-N -1 3 365.411 0.278 20 30 FCEDHM C[C@H](CC(=O)N(C)C[C@H]1CCOC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000749430928 836365561 /nfs/dbraw/zinc/36/55/61/836365561.db2.gz ILDBNBDOURCGBM-CHWSQXEVSA-N -1 3 365.455 0.999 20 30 FCEDHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCNc1ccc(C#N)cn1 ZINC000750998907 836457888 /nfs/dbraw/zinc/45/78/88/836457888.db2.gz OJFSCKKKIARZIR-UHFFFAOYSA-N -1 3 364.387 0.162 20 30 FCEDHM C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001103303311 844733794 /nfs/dbraw/zinc/73/37/94/844733794.db2.gz GRXUAJYJDLVTBD-ZYHUDNBSSA-N -1 3 354.838 0.926 20 30 FCEDHM C=C(Cl)CNCC[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC001104476767 844915760 /nfs/dbraw/zinc/91/57/60/844915760.db2.gz MPUOETGHHYTGEG-ZYHUDNBSSA-N -1 3 354.838 0.926 20 30 FCEDHM N#C[C@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC001117563418 847081841 /nfs/dbraw/zinc/08/18/41/847081841.db2.gz WVHHXHMFWCJXIS-JTQLQIEISA-N -1 3 368.187 0.522 20 30 FCEDHM CN(C)S(=O)(=O)c1c[nH]c(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC001122627657 848525483 /nfs/dbraw/zinc/52/54/83/848525483.db2.gz CSBLWYPUHWXGDL-LLVKDONJSA-N -1 3 361.383 0.621 20 30 FCEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1csnn1 ZINC001129814942 848899316 /nfs/dbraw/zinc/89/93/16/848899316.db2.gz PIPGBAMNWLIEAT-QMMMGPOBSA-N -1 3 351.413 0.454 20 30 FCEDHM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCN(CCCO)C2)cc1C#N ZINC001158473990 850055071 /nfs/dbraw/zinc/05/50/71/850055071.db2.gz YVHAEQUTWOWDQY-LBPRGKRZSA-N -1 3 350.444 0.957 20 30 FCEDHM CS(=O)(=O)c1ccc(OCCCCC(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC001159324290 850108403 /nfs/dbraw/zinc/10/84/03/850108403.db2.gz GYBLMMVRIIIWMQ-CQSZACIVSA-N -1 3 370.427 0.746 20 30 FCEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(S(N)(=O)=O)cnc1Cl ZINC001160176187 850158000 /nfs/dbraw/zinc/15/80/00/850158000.db2.gz KEBUKNYMLAMGTL-XNCJUZBTSA-N -1 3 370.765 0.257 20 30 FCEDHM N#Cc1nc(Br)cnc1-n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001163048582 850348109 /nfs/dbraw/zinc/34/81/09/850348109.db2.gz TVFFMGOGNDDALV-UHFFFAOYSA-N -1 3 366.160 0.797 20 30 FCEDHM CC(=O)N1CCC[C@@H](N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C1 ZINC001169596976 850630883 /nfs/dbraw/zinc/63/08/83/850630883.db2.gz MQNLRFSGSHYJJF-NEPJUHHUSA-N -1 3 355.397 0.013 20 30 FCEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(S(N)(=O)=O)cc1C(F)(F)F ZINC001171363267 850682980 /nfs/dbraw/zinc/68/29/80/850682980.db2.gz WBIINTAWYFKPHA-XNCJUZBTSA-N -1 3 354.310 0.396 20 30 FCEDHM COC(=O)CCS(=O)(=O)[N-][C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1 ZINC001188401857 851685071 /nfs/dbraw/zinc/68/50/71/851685071.db2.gz UHDMPYHRZNHPOO-AWEZNQCLSA-N -1 3 361.420 0.372 20 30 FCEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001190601275 851927925 /nfs/dbraw/zinc/92/79/25/851927925.db2.gz SOQKNUKRRBGWSZ-CPCISQLKSA-N -1 3 362.791 0.641 20 30 FCEDHM COC(=O)CN1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190661265 851938595 /nfs/dbraw/zinc/93/85/95/851938595.db2.gz QUUYJWXNYRGLMS-UHFFFAOYSA-N -1 3 355.391 0.613 20 30 FCEDHM Cc1cc(=O)[n-]c(N2CC[C@H](NS(=O)(=O)c3cccc(C#N)c3)C2)n1 ZINC001194801235 852655651 /nfs/dbraw/zinc/65/56/51/852655651.db2.gz AEDQMWUSECKICR-ZDUSSCGKSA-N -1 3 359.411 0.920 20 30 FCEDHM C=CS(=O)(=O)CC(CS(=O)(=O)C=C)O/C(=N\[O-])c1ccccn1 ZINC001223978145 856954435 /nfs/dbraw/zinc/95/44/35/856954435.db2.gz QGEOGAMFOYYTRT-SQFISAMPSA-N -1 3 360.413 0.719 20 30 FCEDHM CC(C)(C)OC(=O)N1CC[C@@](C#N)([N-]S(=O)(=O)C2CCOCC2)C1 ZINC001259917808 858305463 /nfs/dbraw/zinc/30/54/63/858305463.db2.gz MADOZSLKOSTKFZ-HNNXBMFYSA-N -1 3 359.448 0.988 20 30 FCEDHM C=CCN1CCC[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C1=O ZINC001260710686 858417984 /nfs/dbraw/zinc/41/79/84/858417984.db2.gz VXOSXBIETWVPLH-JTQLQIEISA-N -1 3 358.445 0.557 20 30 FCEDHM C#CCN1C[C@@]2(F)CN(C(=O)c3ccc(OC)cc3[O-])C[C@@]2(F)C1=O ZINC001271433686 859952627 /nfs/dbraw/zinc/95/26/27/859952627.db2.gz MMYMDUSFIUBALA-IAGOWNOFSA-N -1 3 350.321 0.749 20 30 FCEDHM C=CCN1C[C@]2(CC1=O)COCCN(C(=O)c1[n-]c(=O)ccc1Cl)C2 ZINC001273799251 860604695 /nfs/dbraw/zinc/60/46/95/860604695.db2.gz WNQQZKOTUZLOQC-KRWDZBQOSA-N -1 3 365.817 0.744 20 30 FCEDHM C=CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1[n-]c(=O)ccc1Cl)C2 ZINC001273799252 860605080 /nfs/dbraw/zinc/60/50/80/860605080.db2.gz WNQQZKOTUZLOQC-QGZVFWFLSA-N -1 3 365.817 0.744 20 30 FCEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1nc(Br)n[n-]1 ZINC001274796891 860832614 /nfs/dbraw/zinc/83/26/14/860832614.db2.gz BADKZGSICPUUJG-RKDXNWHRSA-N -1 3 352.192 0.406 20 30 FCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CC(=O)C1 ZINC001298360036 866108021 /nfs/dbraw/zinc/10/80/21/866108021.db2.gz XCWKOUQSQGYVPG-AWEZNQCLSA-N -1 3 363.439 0.988 20 30 FCEDHM COc1c[nH]nc1NC(=O)C[C@H](C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001300167125 866211853 /nfs/dbraw/zinc/21/18/53/866211853.db2.gz AKWJEQFQLUQDEC-VIFPVBQESA-N -1 3 363.399 0.874 20 30 FCEDHM C=CCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000819751045 945280903 /nfs/dbraw/zinc/28/09/03/945280903.db2.gz NFBXOBYQMREZQQ-UHFFFAOYSA-N -1 3 358.402 0.969 20 30 FCEDHM C=CCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000819751045 945280911 /nfs/dbraw/zinc/28/09/11/945280911.db2.gz NFBXOBYQMREZQQ-UHFFFAOYSA-N -1 3 358.402 0.969 20 30 FCEDHM C#CCC1(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC1 ZINC001573279414 946638983 /nfs/dbraw/zinc/63/89/83/946638983.db2.gz GXTRTTCGCLCBJT-UHFFFAOYSA-N -1 3 367.413 0.577 20 30 FCEDHM C#CCC1(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC1 ZINC001573279414 946638989 /nfs/dbraw/zinc/63/89/89/946638989.db2.gz GXTRTTCGCLCBJT-UHFFFAOYSA-N -1 3 367.413 0.577 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001573283686 946721669 /nfs/dbraw/zinc/72/16/69/946721669.db2.gz WWGFXUXVSJOSHH-CABCVRRESA-N -1 3 369.429 0.429 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001573283686 946721677 /nfs/dbraw/zinc/72/16/77/946721677.db2.gz WWGFXUXVSJOSHH-CABCVRRESA-N -1 3 369.429 0.429 20 30 FCEDHM C#CCCCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573284105 946735150 /nfs/dbraw/zinc/73/51/50/946735150.db2.gz RMVJIADYGHTDIX-CQSZACIVSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573284105 946735161 /nfs/dbraw/zinc/73/51/61/946735161.db2.gz RMVJIADYGHTDIX-CQSZACIVSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCC(=O)NCCN(CCC)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573284131 946737122 /nfs/dbraw/zinc/73/71/22/946737122.db2.gz RXKUZDTZWBBZPA-UHFFFAOYSA-N -1 3 357.418 0.967 20 30 FCEDHM C#CCCCC(=O)NCCN(CCC)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573284131 946737127 /nfs/dbraw/zinc/73/71/27/946737127.db2.gz RXKUZDTZWBBZPA-UHFFFAOYSA-N -1 3 357.418 0.967 20 30 FCEDHM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573284817 946757298 /nfs/dbraw/zinc/75/72/98/946757298.db2.gz MIVIKFMOZWVEHW-KGLIPLIRSA-N -1 3 355.402 0.121 20 30 FCEDHM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573284817 946757308 /nfs/dbraw/zinc/75/73/08/946757308.db2.gz MIVIKFMOZWVEHW-KGLIPLIRSA-N -1 3 355.402 0.121 20 30 FCEDHM C#CCCCC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573285364 946775855 /nfs/dbraw/zinc/77/58/55/946775855.db2.gz WXRARBNRNPPGEQ-UHFFFAOYSA-N -1 3 357.418 0.919 20 30 FCEDHM C#CCCCC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573285364 946775867 /nfs/dbraw/zinc/77/58/67/946775867.db2.gz WXRARBNRNPPGEQ-UHFFFAOYSA-N -1 3 357.418 0.919 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573285429 946777577 /nfs/dbraw/zinc/77/75/77/946777577.db2.gz HYOCYRWELYTTCI-ZFWWWQNUSA-N -1 3 368.445 0.666 20 30 FCEDHM C#CCO[C@H](C)C(=O)N(CC)CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285602 946782523 /nfs/dbraw/zinc/78/25/23/946782523.db2.gz JHQGKKQPKGCICV-GFCCVEGCSA-N -1 3 373.417 0.202 20 30 FCEDHM C#CCO[C@H](C)C(=O)N(CC)CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285602 946782533 /nfs/dbraw/zinc/78/25/33/946782533.db2.gz JHQGKKQPKGCICV-GFCCVEGCSA-N -1 3 373.417 0.202 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573285801 946788013 /nfs/dbraw/zinc/78/80/13/946788013.db2.gz NZWUEVVHWNOQOX-NHYWBVRUSA-N -1 3 355.402 0.607 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573285801 946788025 /nfs/dbraw/zinc/78/80/25/946788025.db2.gz NZWUEVVHWNOQOX-NHYWBVRUSA-N -1 3 355.402 0.607 20 30 FCEDHM C#CCO[C@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573286216 946799404 /nfs/dbraw/zinc/79/94/04/946799404.db2.gz WNWZPTMWTMYETJ-CYBMUJFWSA-N -1 3 355.402 0.257 20 30 FCEDHM C#CCO[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573286216 946799410 /nfs/dbraw/zinc/79/94/10/946799410.db2.gz WNWZPTMWTMYETJ-CYBMUJFWSA-N -1 3 355.402 0.257 20 30 FCEDHM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573286388 946807162 /nfs/dbraw/zinc/80/71/62/946807162.db2.gz AJGAFDLGRGDFRN-QWRGUYRKSA-N -1 3 361.381 0.746 20 30 FCEDHM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573286388 946807170 /nfs/dbraw/zinc/80/71/70/946807170.db2.gz AJGAFDLGRGDFRN-QWRGUYRKSA-N -1 3 361.381 0.746 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573286676 946814586 /nfs/dbraw/zinc/81/45/86/946814586.db2.gz HKPFODXPQLSDOF-ZDUSSCGKSA-N -1 3 373.392 0.478 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573286676 946814597 /nfs/dbraw/zinc/81/45/97/946814597.db2.gz HKPFODXPQLSDOF-ZDUSSCGKSA-N -1 3 373.392 0.478 20 30 FCEDHM C#CCOCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573288019 946851545 /nfs/dbraw/zinc/85/15/45/946851545.db2.gz RHECWLJZRFPTOV-HNNXBMFYSA-N -1 3 355.402 0.608 20 30 FCEDHM C#CCOCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573288019 946851559 /nfs/dbraw/zinc/85/15/59/946851559.db2.gz RHECWLJZRFPTOV-HNNXBMFYSA-N -1 3 355.402 0.608 20 30 FCEDHM C=C(Br)CN1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573292673 946937570 /nfs/dbraw/zinc/93/75/70/946937570.db2.gz ZLSLBGWNVXFFRX-UHFFFAOYSA-N -1 3 366.223 0.765 20 30 FCEDHM C=C(Br)CN1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573292673 946937578 /nfs/dbraw/zinc/93/75/78/946937578.db2.gz ZLSLBGWNVXFFRX-UHFFFAOYSA-N -1 3 366.223 0.765 20 30 FCEDHM CC(C)N(CCN(C)C(=O)[C@@H](C)C#N)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573560859 946957759 /nfs/dbraw/zinc/95/77/59/946957759.db2.gz HOESPFXJTPSAQU-NSHDSACASA-N -1 3 358.406 0.663 20 30 FCEDHM CC(C)N(CCN(C)C(=O)[C@@H](C)C#N)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573560859 946957770 /nfs/dbraw/zinc/95/77/70/946957770.db2.gz HOESPFXJTPSAQU-NSHDSACASA-N -1 3 358.406 0.663 20 30 FCEDHM CC(C)N(CCN(C)C(=O)[C@H](C)C#N)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573561356 946962363 /nfs/dbraw/zinc/96/23/63/946962363.db2.gz JTOHNIVFZPKOMS-LLVKDONJSA-N -1 3 358.406 0.663 20 30 FCEDHM C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573562315 946972710 /nfs/dbraw/zinc/97/27/10/946972710.db2.gz SGLZOVUMILSMDH-PSASIEDQSA-N -1 3 364.797 0.306 20 30 FCEDHM C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573562315 946972713 /nfs/dbraw/zinc/97/27/13/946972713.db2.gz SGLZOVUMILSMDH-PSASIEDQSA-N -1 3 364.797 0.306 20 30 FCEDHM C=C(Cl)CN1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294382 946987551 /nfs/dbraw/zinc/98/75/51/946987551.db2.gz AIBVJPOGHYZUHV-NSHDSACASA-N -1 3 351.798 0.378 20 30 FCEDHM C=C(Cl)CN1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294382 946987557 /nfs/dbraw/zinc/98/75/57/946987557.db2.gz AIBVJPOGHYZUHV-NSHDSACASA-N -1 3 351.798 0.378 20 30 FCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001573564489 946994313 /nfs/dbraw/zinc/99/43/13/946994313.db2.gz JHRDTFGLXXIXMR-SJKOYZFVSA-N -1 3 368.401 0.229 20 30 FCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001573564489 946994321 /nfs/dbraw/zinc/99/43/21/946994321.db2.gz JHRDTFGLXXIXMR-SJKOYZFVSA-N -1 3 368.401 0.229 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573565248 947006151 /nfs/dbraw/zinc/00/61/51/947006151.db2.gz PKKBGAZJDCVXIT-JTQLQIEISA-N -1 3 356.390 0.323 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573565650 947011686 /nfs/dbraw/zinc/01/16/86/947011686.db2.gz SWWQYUBLSHEPPC-JTQLQIEISA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573565650 947011698 /nfs/dbraw/zinc/01/16/98/947011698.db2.gz SWWQYUBLSHEPPC-JTQLQIEISA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC(O)(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573565710 947012980 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1288890547 /nfs/dbraw/zinc/89/05/47/1288890547.db2.gz MIJMLHYNCBLGFC-UHFFFAOYSA-N -1 3 368.401 0.909 20 30 FCEDHM C=CCN(C(=O)c1cccc(-c2nnn[n-]2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC001609056005 1288890684 /nfs/dbraw/zinc/89/06/84/1288890684.db2.gz KGYUWNGSFHBVBD-LBPRGKRZSA-N -1 3 361.427 0.990 20 30 FCEDHM C=CCN(C(=O)c1cccc(-c2nn[n-]n2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC001609056005 1288890685 /nfs/dbraw/zinc/89/06/85/1288890685.db2.gz KGYUWNGSFHBVBD-LBPRGKRZSA-N -1 3 361.427 0.990 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cncnc1 ZINC001609056405 1288891323 /nfs/dbraw/zinc/89/13/23/1288891323.db2.gz IBHVVOVOYSQZMJ-UHFFFAOYSA-N -1 3 364.369 0.810 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cncnc1 ZINC001609056405 1288891327 /nfs/dbraw/zinc/89/13/27/1288891327.db2.gz IBHVVOVOYSQZMJ-UHFFFAOYSA-N -1 3 364.369 0.810 20 30 FCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609059800 1288892790 /nfs/dbraw/zinc/89/27/90/1288892790.db2.gz KQWHPDDQEJPPMN-NEPJUHHUSA-N 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C=CC[C@H](CO)CNC(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001602816078 1287124302 /nfs/dbraw/zinc/12/43/02/1287124302.db2.gz HSOUIWRUZFZUTB-NSHDSACASA-N -1 3 369.389 0.754 20 30 FCEDHM C=CC[C@H](CO)CNC(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001602816078 1287124308 /nfs/dbraw/zinc/12/43/08/1287124308.db2.gz HSOUIWRUZFZUTB-NSHDSACASA-N -1 3 369.389 0.754 20 30 FCEDHM C=CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001602823945 1287127154 /nfs/dbraw/zinc/12/71/54/1287127154.db2.gz GOVBJXRAEZCWHF-KRWDZBQOSA-N -1 3 357.418 0.675 20 30 FCEDHM C=CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001602823945 1287127160 /nfs/dbraw/zinc/12/71/60/1287127160.db2.gz GOVBJXRAEZCWHF-KRWDZBQOSA-N -1 3 357.418 0.675 20 30 FCEDHM C=CCC[C@H](CO)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001602833655 1287128944 /nfs/dbraw/zinc/12/89/44/1287128944.db2.gz TZEMMMWPRMWRIU-GFCCVEGCSA-N -1 3 355.395 0.752 20 30 FCEDHM C=CCC[C@H](CO)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001602833655 1287128948 /nfs/dbraw/zinc/12/89/48/1287128948.db2.gz TZEMMMWPRMWRIU-GFCCVEGCSA-N -1 3 355.395 0.752 20 30 FCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602840910 1287131264 /nfs/dbraw/zinc/13/12/64/1287131264.db2.gz IMASDDYVMBCCMV-VXGBXAGGSA-N -1 3 373.417 0.507 20 30 FCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602840910 1287131270 /nfs/dbraw/zinc/13/12/70/1287131270.db2.gz IMASDDYVMBCCMV-VXGBXAGGSA-N -1 3 373.417 0.507 20 30 FCEDHM C=CCCOCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001602844162 1287132854 /nfs/dbraw/zinc/13/28/54/1287132854.db2.gz KORABETWYPBWAF-UHFFFAOYSA-N -1 3 357.418 0.893 20 30 FCEDHM C=CCCOCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001602844162 1287132858 /nfs/dbraw/zinc/13/28/58/1287132858.db2.gz KORABETWYPBWAF-UHFFFAOYSA-N -1 3 357.418 0.893 20 30 FCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001602849537 1287135877 /nfs/dbraw/zinc/13/58/77/1287135877.db2.gz CBKYDPJIPYGDLH-UHFFFAOYSA-N -1 3 371.444 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C=CCOCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001602867963 1287141808 /nfs/dbraw/zinc/14/18/08/1287141808.db2.gz FQHYAJFRDZJKSF-XJKSGUPXSA-N -1 3 369.429 0.892 20 30 FCEDHM C=CCOC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC001602869498 1287143454 /nfs/dbraw/zinc/14/34/54/1287143454.db2.gz DRRRXJBHIDKPCL-GFCCVEGCSA-N -1 3 365.777 0.994 20 30 FCEDHM C=CCOC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC001602869498 1287143457 /nfs/dbraw/zinc/14/34/57/1287143457.db2.gz DRRRXJBHIDKPCL-GFCCVEGCSA-N -1 3 365.777 0.994 20 30 FCEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602869735 1287144050 /nfs/dbraw/zinc/14/40/50/1287144050.db2.gz GCRPWUCCHWXDRY-UHFFFAOYSA-N -1 3 350.379 0.980 20 30 FCEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602869735 1287144054 /nfs/dbraw/zinc/14/40/54/1287144054.db2.gz GCRPWUCCHWXDRY-UHFFFAOYSA-N -1 3 350.379 0.980 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)n2C)nnc1N(C[C@@H](C)O)C1CC1 ZINC001602875947 1287146041 /nfs/dbraw/zinc/14/60/41/1287146041.db2.gz MQAQLRXSBGIGJO-LLVKDONJSA-N -1 3 369.433 0.999 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)n2C)nnc1N(C[C@@H](C)O)C1CC1 ZINC001602875947 1287146043 /nfs/dbraw/zinc/14/60/43/1287146043.db2.gz MQAQLRXSBGIGJO-LLVKDONJSA-N -1 3 369.433 0.999 20 30 FCEDHM C=CCn1cc(C(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001602882655 1287147120 /nfs/dbraw/zinc/14/71/20/1287147120.db2.gz QLQIKMWLAONUGN-GFCCVEGCSA-N -1 3 367.373 0.333 20 30 FCEDHM C=CCn1cc(C(=O)N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001602882655 1287147126 /nfs/dbraw/zinc/14/71/26/1287147126.db2.gz QLQIKMWLAONUGN-GFCCVEGCSA-N -1 3 367.373 0.333 20 30 FCEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001602882515 1287147265 /nfs/dbraw/zinc/14/72/65/1287147265.db2.gz LOXZLYGMLGMAHN-NSHDSACASA-N -1 3 368.405 0.612 20 30 FCEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001602882515 1287147271 /nfs/dbraw/zinc/14/72/71/1287147271.db2.gz LOXZLYGMLGMAHN-NSHDSACASA-N 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C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001602981539 1287172442 /nfs/dbraw/zinc/17/24/42/1287172442.db2.gz HXWUWRDGIMFBIC-BZPMIXESSA-N -1 3 352.402 0.991 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001602982449 1287172452 /nfs/dbraw/zinc/17/24/52/1287172452.db2.gz VBLCHIGUVMGXPX-PWSUYJOCSA-N -1 3 356.390 0.417 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602983943 1287174821 /nfs/dbraw/zinc/17/48/21/1287174821.db2.gz POGQTCHVESVJTA-LBPRGKRZSA-N -1 3 372.408 0.404 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001602983943 1287174824 /nfs/dbraw/zinc/17/48/24/1287174824.db2.gz POGQTCHVESVJTA-LBPRGKRZSA-N -1 3 372.408 0.404 20 30 FCEDHM COC[C@@H](C)NC(=S)NN=C1C(=O)Nc2cc(-c3nnn[n-]3)ccc21 ZINC001605052337 1287856659 /nfs/dbraw/zinc/85/66/59/1287856659.db2.gz KJYCSEXCKPJFRO-SSDOTTSWSA-N -1 3 360.403 0.022 20 30 FCEDHM COC[C@@H](C)NC(=S)NN=C1C(=O)Nc2cc(-c3nn[n-]n3)ccc21 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C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1nccnc1C#N ZINC001580380893 1278197027 /nfs/dbraw/zinc/19/70/27/1278197027.db2.gz WKHKVIAVMVLWJL-KOLCDFICSA-N -1 3 364.373 0.254 20 30 FCEDHM N#Cc1ccc(N2C[C@@H](C(=O)Nc3n[n-]c(SCCO)n3)CC2=O)cc1 ZINC001319615974 1263713890 /nfs/dbraw/zinc/71/38/90/1263713890.db2.gz MZJXBZBJGFAGEU-NSHDSACASA-N -1 3 372.410 0.752 20 30 FCEDHM CCc1ccc([C@@H](CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)N(C)C)cc1 ZINC001540450729 1267447791 /nfs/dbraw/zinc/44/77/91/1267447791.db2.gz CMOXVCQVGKAXJK-MRXNPFEDSA-N -1 3 369.425 0.802 20 30 FCEDHM CN(C)c1cncc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001543998040 1267565525 /nfs/dbraw/zinc/56/55/25/1267565525.db2.gz RBLMVKKCMAPGOA-UHFFFAOYSA-N -1 3 359.411 0.825 20 30 FCEDHM CN1CCN(c2ccc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)cc2F)CC1 ZINC001338729451 1268065955 /nfs/dbraw/zinc/06/59/55/1268065955.db2.gz NJFHFBYHRUXTMS-UHFFFAOYSA-N -1 3 370.392 0.769 20 30 FCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@H]1C1CCOCC1 ZINC001551774335 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C[C@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN(c2cnc(C#N)cn2)C1 ZINC001575825314 1272486161 /nfs/dbraw/zinc/48/61/61/1272486161.db2.gz ICDMBDJYIHMKLM-INIZCTEOSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575836288 1272503945 /nfs/dbraw/zinc/50/39/45/1272503945.db2.gz MSOXKXHHKUPLNE-QGZVFWFLSA-N -1 3 363.385 0.860 20 30 FCEDHM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575836288 1272503951 /nfs/dbraw/zinc/50/39/51/1272503951.db2.gz MSOXKXHHKUPLNE-QGZVFWFLSA-N -1 3 363.385 0.860 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)C#CC(C)(C)C ZINC001575998516 1272674353 /nfs/dbraw/zinc/67/43/53/1272674353.db2.gz NUCHUWKUQSXFRK-VXGBXAGGSA-N -1 3 369.429 0.964 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)C#CC(C)(C)C ZINC001575998516 1272674360 /nfs/dbraw/zinc/67/43/60/1272674360.db2.gz NUCHUWKUQSXFRK-VXGBXAGGSA-N -1 3 369.429 0.964 20 30 FCEDHM 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COc1cccc(CNC(=O)Cn2c(C)nc(C#N)c2-c2nn[n-]n2)c1 ZINC001591638666 1284775813 /nfs/dbraw/zinc/77/58/13/1284775813.db2.gz CECBIVGQTKVYSN-UHFFFAOYSA-N -1 3 352.358 0.568 20 30 FCEDHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC001591989028 1285041376 /nfs/dbraw/zinc/04/13/76/1285041376.db2.gz MAJLPPFTQYKREO-ZDUSSCGKSA-N -1 3 354.342 0.941 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H](C)NC(=O)CSCC#N)n1 ZINC001592075060 1285111512 /nfs/dbraw/zinc/11/15/12/1285111512.db2.gz HMZSBXMHWBIYDU-NSHDSACASA-N -1 3 360.447 0.768 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H](C)NC(=O)CSCC#N)n1 ZINC001592075060 1285111516 /nfs/dbraw/zinc/11/15/16/1285111516.db2.gz HMZSBXMHWBIYDU-NSHDSACASA-N -1 3 360.447 0.768 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001592077645 1285115025 /nfs/dbraw/zinc/11/50/25/1285115025.db2.gz VLRCOSFNWQPJBI-LLVKDONJSA-N -1 3 352.402 0.983 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CC=C(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001592077645 1285115033 /nfs/dbraw/zinc/11/50/33/1285115033.db2.gz VLRCOSFNWQPJBI-LLVKDONJSA-N -1 3 352.402 0.983 20 30 FCEDHM CN(CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001604759659 1287766268 /nfs/dbraw/zinc/76/62/68/1287766268.db2.gz SXWJWTVTPJNIMA-UHFFFAOYSA-N -1 3 351.374 0.670 20 30 FCEDHM CN(CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001604759659 1287766273 /nfs/dbraw/zinc/76/62/73/1287766273.db2.gz SXWJWTVTPJNIMA-UHFFFAOYSA-N -1 3 351.374 0.670 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 ZINC001592078829 1285118778 /nfs/dbraw/zinc/11/87/78/1285118778.db2.gz CLIBMYBAJRNAQO-SFHVURJKSA-N -1 3 367.413 0.041 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 ZINC001592078829 1285118788 /nfs/dbraw/zinc/11/87/88/1285118788.db2.gz CLIBMYBAJRNAQO-SFHVURJKSA-N -1 3 367.413 0.041 20 30 FCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1ccc(NC(N)=O)cc1 ZINC001592340992 1285252192 /nfs/dbraw/zinc/25/21/92/1285252192.db2.gz MXIPCRMDTCJUKN-UHFFFAOYSA-N -1 3 351.330 0.617 20 30 FCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1ccc(NC(N)=O)cc1 ZINC001592340992 1285252198 /nfs/dbraw/zinc/25/21/98/1285252198.db2.gz MXIPCRMDTCJUKN-UHFFFAOYSA-N -1 3 351.330 0.617 20 30 FCEDHM C[C@H]1CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCN1CCC(=O)[O-] ZINC001604771610 1287773707 /nfs/dbraw/zinc/77/37/07/1287773707.db2.gz QJKNPUCWIQHVMW-SCLBCKFNSA-N -1 3 356.426 0.752 20 30 FCEDHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)n(-c2ccc(C#N)cc2)n1 ZINC001592378642 1285290880 /nfs/dbraw/zinc/29/08/80/1285290880.db2.gz GFHKWUMAPXXKSN-UHFFFAOYSA-N -1 3 374.368 0.938 20 30 FCEDHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)n(-c2ccc(C#N)cc2)n1 ZINC001592378642 1285290891 /nfs/dbraw/zinc/29/08/91/1285290891.db2.gz GFHKWUMAPXXKSN-UHFFFAOYSA-N -1 3 374.368 0.938 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3c(C#N)cccc3-c3nnn[n-]3)CC2)c1C#N ZINC001592442950 1285376542 /nfs/dbraw/zinc/37/65/42/1285376542.db2.gz SCWNVICFDTXKMN-UHFFFAOYSA-N -1 3 374.412 0.979 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3c(C#N)cccc3-c3nn[n-]n3)CC2)c1C#N ZINC001592442950 1285376552 /nfs/dbraw/zinc/37/65/52/1285376552.db2.gz SCWNVICFDTXKMN-UHFFFAOYSA-N -1 3 374.412 0.979 20 30 FCEDHM CN(Cc1nncn1C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604827147 1287788501 /nfs/dbraw/zinc/78/85/01/1287788501.db2.gz VNTWJOGJQMEDGC-CYBMUJFWSA-N -1 3 351.374 0.336 20 30 FCEDHM Cn1cc(CCNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592569528 1285485037 /nfs/dbraw/zinc/48/50/37/1285485037.db2.gz SRYSZWHLCOQCDP-OAHLLOKOSA-N -1 3 350.386 0.641 20 30 FCEDHM Cn1ncc(-c2nnn[n-]2)c1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC001592598945 1285530722 /nfs/dbraw/zinc/53/07/22/1285530722.db2.gz WWBNBRZYVJYEPQ-UHFFFAOYSA-N -1 3 366.389 0.664 20 30 FCEDHM Cn1ncc(-c2nn[n-]n2)c1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC001592598945 1285530732 /nfs/dbraw/zinc/53/07/32/1285530732.db2.gz WWBNBRZYVJYEPQ-UHFFFAOYSA-N -1 3 366.389 0.664 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C(=O)C2CC2)C1 ZINC001592666277 1285562871 /nfs/dbraw/zinc/56/28/71/1285562871.db2.gz XCLJGYCRARQBNW-HNNXBMFYSA-N -1 3 365.397 0.587 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](O)C1CCOCC1 ZINC001592666001 1285563260 /nfs/dbraw/zinc/56/32/60/1285563260.db2.gz KVBXBSAJCPIIIY-HOTGVXAUSA-N -1 3 370.413 0.453 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)C1CC1 ZINC001592666053 1285563610 /nfs/dbraw/zinc/56/36/10/1285563610.db2.gz LLRZRBUFJJMVMP-ZDUSSCGKSA-N -1 3 374.426 0.242 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCNC(=O)CC1 ZINC001592667064 1285563865 /nfs/dbraw/zinc/56/38/65/1285563865.db2.gz UBLNHOMSPGASGT-UONOGXRCSA-N -1 3 353.386 0.334 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)NCC1CC1 ZINC001592667672 1285565078 /nfs/dbraw/zinc/56/50/78/1285565078.db2.gz ZWLAYHYBEFKLSP-CQSZACIVSA-N -1 3 353.386 0.191 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc2cnccn2n1 ZINC001592667695 1285565321 /nfs/dbraw/zinc/56/53/21/1285565321.db2.gz AKUBHSBPFUMOND-GFCCVEGCSA-N 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/nfs/dbraw/zinc/62/49/14/1280624914.db2.gz FKZSRIUKMTWKPW-STQMWFEESA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)[nH]1 ZINC001581868034 1280624918 /nfs/dbraw/zinc/62/49/18/1280624918.db2.gz FKZSRIUKMTWKPW-STQMWFEESA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1ccc(NCC(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)nc1 ZINC001581872985 1280627642 /nfs/dbraw/zinc/62/76/42/1280627642.db2.gz OSXOMIHXTRWEOX-UHFFFAOYSA-N -1 3 350.346 0.784 20 30 FCEDHM N#Cc1cnc(N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)cn1 ZINC001581877797 1280631103 /nfs/dbraw/zinc/63/11/03/1280631103.db2.gz KGKOGFQIDUGNIS-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cnc(N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)cn1 ZINC001581877797 1280631116 /nfs/dbraw/zinc/63/11/16/1280631116.db2.gz KGKOGFQIDUGNIS-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cccnc1N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001581876579 1280631437 /nfs/dbraw/zinc/63/14/37/1280631437.db2.gz 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N#Cc1cnc(NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001581878037 1280634984 /nfs/dbraw/zinc/63/49/84/1280634984.db2.gz SKNHAYMQMFEJHN-JTQLQIEISA-N -1 3 364.373 0.431 20 30 FCEDHM N#Cc1cnc(NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001581878037 1280634998 /nfs/dbraw/zinc/63/49/98/1280634998.db2.gz SKNHAYMQMFEJHN-JTQLQIEISA-N -1 3 364.373 0.431 20 30 FCEDHM N#Cc1nc(N)n(Cc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC001581878410 1280635486 /nfs/dbraw/zinc/63/54/86/1280635486.db2.gz KKFLWFQAHGQRMX-UHFFFAOYSA-N -1 3 351.374 0.402 20 30 FCEDHM N#Cc1nc(N)n(Cc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC001581878410 1280635487 /nfs/dbraw/zinc/63/54/87/1280635487.db2.gz KKFLWFQAHGQRMX-UHFFFAOYSA-N -1 3 351.374 0.402 20 30 FCEDHM N#Cc1cnc(N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001581877918 1280636204 /nfs/dbraw/zinc/63/62/04/1280636204.db2.gz PFHXTODRMDIJDP-JTQLQIEISA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1cnc(N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001581877918 1280636212 /nfs/dbraw/zinc/63/62/12/1280636212.db2.gz PFHXTODRMDIJDP-JTQLQIEISA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001581883565 1280648555 /nfs/dbraw/zinc/64/85/55/1280648555.db2.gz OAVNKUMZJJOCEX-UMSPYCQHSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1cnccc1N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001581883565 1280648560 /nfs/dbraw/zinc/64/85/60/1280648560.db2.gz OAVNKUMZJJOCEX-UMSPYCQHSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1cnccc1N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001581883842 1280649179 /nfs/dbraw/zinc/64/91/79/1280649179.db2.gz YRONNSHKOBTKML-HNNXBMFYSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1cnccc1N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001581883842 1280649188 /nfs/dbraw/zinc/64/91/88/1280649188.db2.gz YRONNSHKOBTKML-HNNXBMFYSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1cnccc1N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001581883630 1280651201 /nfs/dbraw/zinc/65/12/01/1280651201.db2.gz 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C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN(c2nccnc2C#N)C1 ZINC001603813805 1287505461 /nfs/dbraw/zinc/50/54/61/1287505461.db2.gz CKOHKCUGRNFFJG-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN(c2nccnc2C#N)C1 ZINC001603813805 1287505464 /nfs/dbraw/zinc/50/54/64/1287505464.db2.gz CKOHKCUGRNFFJG-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@H]1CN(C(=O)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)CCO1 ZINC001603920067 1287534577 /nfs/dbraw/zinc/53/45/77/1287534577.db2.gz JKTDDEVFWKNZKL-MRVPVSSYSA-N -1 3 360.403 0.055 20 30 FCEDHM C[C@@H]1CN(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)CCO1 ZINC001603920067 1287534581 /nfs/dbraw/zinc/53/45/81/1287534581.db2.gz JKTDDEVFWKNZKL-MRVPVSSYSA-N -1 3 360.403 0.055 20 30 FCEDHM N#Cc1cn(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(=O)[n-]c1=O ZINC001587547374 1282362321 /nfs/dbraw/zinc/36/23/21/1282362321.db2.gz KNSYAXKZZXDQAA-INIZCTEOSA-N -1 3 367.409 0.601 20 30 FCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc2n1CCOC2 ZINC001635629366 1282418008 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/nfs/dbraw/zinc/42/39/30/1282423930.db2.gz QOWAGPOHPZSUBY-SMDDNHRTSA-N -1 3 356.386 0.198 20 30 FCEDHM C#C[C@H]1CCCN(c2nnc([C@H](O)c3ccc(-c4nnn[n-]4)cc3)n2C)C1 ZINC001588333145 1282425748 /nfs/dbraw/zinc/42/57/48/1282425748.db2.gz YWCILRCEGPTQEI-SWLSCSKDSA-N -1 3 364.413 0.927 20 30 FCEDHM C#C[C@H]1CCCN(c2nnc([C@H](O)c3ccc(-c4nn[n-]n4)cc3)n2C)C1 ZINC001588333145 1282425758 /nfs/dbraw/zinc/42/57/58/1282425758.db2.gz YWCILRCEGPTQEI-SWLSCSKDSA-N -1 3 364.413 0.927 20 30 FCEDHM C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588332476 1282426005 /nfs/dbraw/zinc/42/60/05/1282426005.db2.gz KWASZQLCDZQYNS-GDBMZVCRSA-N -1 3 364.409 0.985 20 30 FCEDHM C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588332476 1282426012 /nfs/dbraw/zinc/42/60/12/1282426012.db2.gz KWASZQLCDZQYNS-GDBMZVCRSA-N -1 3 364.409 0.985 20 30 FCEDHM C#CCC1(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001588334946 1282427047 /nfs/dbraw/zinc/42/70/47/1282427047.db2.gz QRQAURWUJBKFPZ-GFCCVEGCSA-N -1 3 369.429 0.965 20 30 FCEDHM C#CCC1(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001588334946 1282427053 /nfs/dbraw/zinc/42/70/53/1282427053.db2.gz QRQAURWUJBKFPZ-GFCCVEGCSA-N -1 3 369.429 0.965 20 30 FCEDHM C#CCC1(O)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC001588335614 1282427440 /nfs/dbraw/zinc/42/74/40/1282427440.db2.gz SHNAFXRZAYDMDH-UHFFFAOYSA-N -1 3 371.397 0.631 20 30 FCEDHM C#CCC1(O)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC001588335614 1282427448 /nfs/dbraw/zinc/42/74/48/1282427448.db2.gz SHNAFXRZAYDMDH-UHFFFAOYSA-N -1 3 371.397 0.631 20 30 FCEDHM C#CCC1(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001588334961 1282427823 /nfs/dbraw/zinc/42/78/23/1282427823.db2.gz REDWRMNQQBLCKZ-NSHDSACASA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCC1(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001588334961 1282427829 /nfs/dbraw/zinc/42/78/29/1282427829.db2.gz REDWRMNQQBLCKZ-NSHDSACASA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCC1(O)CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC001588335323 1282427976 /nfs/dbraw/zinc/42/79/76/1282427976.db2.gz ILVZYXLJUJUAOU-ZDUSSCGKSA-N -1 3 372.454 0.884 20 30 FCEDHM C#CCC1(O)CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC001588335323 1282427979 /nfs/dbraw/zinc/42/79/79/1282427979.db2.gz ILVZYXLJUJUAOU-ZDUSSCGKSA-N -1 3 372.454 0.884 20 30 FCEDHM C#CCCCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001588339217 1282432562 /nfs/dbraw/zinc/43/25/62/1282432562.db2.gz WKFRLYASALKWGB-CQSZACIVSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001588339217 1282432565 /nfs/dbraw/zinc/43/25/65/1282432565.db2.gz WKFRLYASALKWGB-CQSZACIVSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001588339288 1282433503 /nfs/dbraw/zinc/43/35/03/1282433503.db2.gz MVTSFDREQHOUEU-OKILXGFUSA-N -1 3 367.413 0.529 20 30 FCEDHM C#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001588339288 1282433507 /nfs/dbraw/zinc/43/35/07/1282433507.db2.gz MVTSFDREQHOUEU-OKILXGFUSA-N -1 3 367.413 0.529 20 30 FCEDHM C#CCCCC(=O)NCCN(CCC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588340061 1282434033 /nfs/dbraw/zinc/43/40/33/1282434033.db2.gz DDVPGTDJMYSXBP-UHFFFAOYSA-N -1 3 357.418 0.967 20 30 FCEDHM C#CCCCC(=O)NCCN(CCC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588340061 1282434040 /nfs/dbraw/zinc/43/40/40/1282434040.db2.gz DDVPGTDJMYSXBP-UHFFFAOYSA-N -1 3 357.418 0.967 20 30 FCEDHM C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001588339968 1282434401 /nfs/dbraw/zinc/43/44/01/1282434401.db2.gz AXQDDCHBTRJERC-CQSZACIVSA-N -1 3 369.429 0.695 20 30 FCEDHM C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001588339968 1282434405 /nfs/dbraw/zinc/43/44/05/1282434405.db2.gz AXQDDCHBTRJERC-CQSZACIVSA-N -1 3 369.429 0.695 20 30 FCEDHM C#CCCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001588339940 1282434630 /nfs/dbraw/zinc/43/46/30/1282434630.db2.gz ZVUYPBMLTOMJKM-SWLSCSKDSA-N -1 3 367.413 0.671 20 30 FCEDHM C#CCCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001588339940 1282434635 /nfs/dbraw/zinc/43/46/35/1282434635.db2.gz ZVUYPBMLTOMJKM-SWLSCSKDSA-N -1 3 367.413 0.671 20 30 FCEDHM C#CCCCC(=O)NCC1(O)CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001588340042 1282434670 /nfs/dbraw/zinc/43/46/70/1282434670.db2.gz CTNCGAGDZDICGG-UHFFFAOYSA-N -1 3 372.404 0.472 20 30 FCEDHM C#CCCCC(=O)NCC1(O)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001588340042 1282434677 /nfs/dbraw/zinc/43/46/77/1282434677.db2.gz CTNCGAGDZDICGG-UHFFFAOYSA-N -1 3 372.404 0.472 20 30 FCEDHM C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588341446 1282436663 /nfs/dbraw/zinc/43/66/63/1282436663.db2.gz HWXAMNWHFOWMQN-CYBMUJFWSA-N -1 3 369.429 0.967 20 30 FCEDHM C#CCCCCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588341446 1282436669 /nfs/dbraw/zinc/43/66/69/1282436669.db2.gz HWXAMNWHFOWMQN-CYBMUJFWSA-N -1 3 369.429 0.967 20 30 FCEDHM C#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1OC ZINC001588340995 1282436679 /nfs/dbraw/zinc/43/66/79/1282436679.db2.gz PSDRBZAUJINYNJ-HUUCEWRRSA-N -1 3 369.429 0.693 20 30 FCEDHM C#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1OC ZINC001588340995 1282436684 /nfs/dbraw/zinc/43/66/84/1282436684.db2.gz PSDRBZAUJINYNJ-HUUCEWRRSA-N -1 3 369.429 0.693 20 30 FCEDHM C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588340755 1282436975 /nfs/dbraw/zinc/43/69/75/1282436975.db2.gz DOCAKUQNTUVZDK-AULYBMBSSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588340755 1282436976 /nfs/dbraw/zinc/43/69/76/1282436976.db2.gz DOCAKUQNTUVZDK-AULYBMBSSA-N -1 3 355.402 0.623 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001588342132 1282437835 /nfs/dbraw/zinc/43/78/35/1282437835.db2.gz FWYYIPIPAKEHGE-KGLIPLIRSA-N -1 3 355.402 0.121 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001588342132 1282437840 /nfs/dbraw/zinc/43/78/40/1282437840.db2.gz FWYYIPIPAKEHGE-KGLIPLIRSA-N -1 3 355.402 0.121 20 30 FCEDHM C#CCCCCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588343342 1282439702 /nfs/dbraw/zinc/43/97/02/1282439702.db2.gz JKVVDBVMWWARPH-LBPRGKRZSA-N -1 3 357.418 0.965 20 30 FCEDHM C#CCCCCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588343342 1282439707 /nfs/dbraw/zinc/43/97/07/1282439707.db2.gz JKVVDBVMWWARPH-LBPRGKRZSA-N -1 3 357.418 0.965 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001588344519 1282440439 /nfs/dbraw/zinc/44/04/39/1282440439.db2.gz UDXLFRKUICDPAW-VIKVFOODSA-N -1 3 367.413 0.575 20 30 FCEDHM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001588344519 1282440443 /nfs/dbraw/zinc/44/04/43/1282440443.db2.gz UDXLFRKUICDPAW-VIKVFOODSA-N -1 3 367.413 0.575 20 30 FCEDHM C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588347542 1282441479 /nfs/dbraw/zinc/44/14/79/1282441479.db2.gz RLMIXRMYUDVKJY-LLVKDONJSA-N -1 3 374.426 0.158 20 30 FCEDHM C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588347542 1282441497 /nfs/dbraw/zinc/44/14/97/1282441497.db2.gz RLMIXRMYUDVKJY-LLVKDONJSA-N -1 3 374.426 0.158 20 30 FCEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC001588348956 1282442597 /nfs/dbraw/zinc/44/25/97/1282442597.db2.gz VZBIDTJYFDWKFG-ZDUSSCGKSA-N -1 3 359.411 0.438 20 30 FCEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC001588348956 1282442601 /nfs/dbraw/zinc/44/26/01/1282442601.db2.gz VZBIDTJYFDWKFG-ZDUSSCGKSA-N -1 3 359.411 0.438 20 30 FCEDHM C#CCN(Cc1cc(-c2nnn[n-]2)cnc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC001588350936 1282443627 /nfs/dbraw/zinc/44/36/27/1282443627.db2.gz WOFPNZRPMTZFMO-LBPRGKRZSA-N -1 3 366.834 0.537 20 30 FCEDHM C#CCN(Cc1cc(-c2nn[n-]n2)cnc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC001588350936 1282443629 /nfs/dbraw/zinc/44/36/29/1282443629.db2.gz WOFPNZRPMTZFMO-LBPRGKRZSA-N -1 3 366.834 0.537 20 30 FCEDHM C#CCN(C)c1nnc(COc2cccc(-c3nnn[n-]3)c2)n1CCOC ZINC001588349817 1282444577 /nfs/dbraw/zinc/44/45/77/1282444577.db2.gz NDWHIWKFBYSCAJ-UHFFFAOYSA-N -1 3 368.401 0.753 20 30 FCEDHM C#CCN(C)c1nnc(COc2cccc(-c3nn[n-]n3)c2)n1CCOC ZINC001588349817 1282444581 /nfs/dbraw/zinc/44/45/81/1282444581.db2.gz NDWHIWKFBYSCAJ-UHFFFAOYSA-N -1 3 368.401 0.753 20 30 FCEDHM C#CCN(CC#C)c1nnc([C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1CC ZINC001588349869 1282444612 /nfs/dbraw/zinc/44/46/12/1282444612.db2.gz PKXYPLTVPQJHAM-HNNXBMFYSA-N -1 3 362.397 0.633 20 30 FCEDHM C#CCN(CC#C)c1nnc([C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1CC ZINC001588349869 1282444614 /nfs/dbraw/zinc/44/46/14/1282444614.db2.gz PKXYPLTVPQJHAM-HNNXBMFYSA-N -1 3 362.397 0.633 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588351243 1282446855 /nfs/dbraw/zinc/44/68/55/1282446855.db2.gz KTXNGMYXAFTAGN-ZFWWWQNUSA-N -1 3 368.445 0.584 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588351243 1282446864 /nfs/dbraw/zinc/44/68/64/1282446864.db2.gz KTXNGMYXAFTAGN-ZFWWWQNUSA-N -1 3 368.445 0.584 20 30 FCEDHM C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)C1 ZINC001588352824 1282448943 /nfs/dbraw/zinc/44/89/43/1282448943.db2.gz XRCRCHAXWYHVJU-CYBMUJFWSA-N -1 3 360.443 0.551 20 30 FCEDHM C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)C1 ZINC001588352824 1282448947 /nfs/dbraw/zinc/44/89/47/1282448947.db2.gz XRCRCHAXWYHVJU-CYBMUJFWSA-N -1 3 360.443 0.551 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588354847 1282451417 /nfs/dbraw/zinc/45/14/17/1282451417.db2.gz BCAIQPCESSFMTJ-GXTWGEPZSA-N -1 3 372.404 0.735 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001588354847 1282451425 /nfs/dbraw/zinc/45/14/25/1282451425.db2.gz BCAIQPCESSFMTJ-GXTWGEPZSA-N -1 3 372.404 0.735 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588355118 1282451462 /nfs/dbraw/zinc/45/14/62/1282451462.db2.gz DCTYSWJGLZOJTP-KBPBESRZSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588355118 1282451466 /nfs/dbraw/zinc/45/14/66/1282451466.db2.gz DCTYSWJGLZOJTP-KBPBESRZSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588355224 1282453502 /nfs/dbraw/zinc/45/35/02/1282453502.db2.gz DRUHJESDVLCWOG-CYBMUJFWSA-N -1 3 369.429 0.727 20 30 FCEDHM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588355224 1282453507 /nfs/dbraw/zinc/45/35/07/1282453507.db2.gz DRUHJESDVLCWOG-CYBMUJFWSA-N -1 3 369.429 0.727 20 30 FCEDHM C#CCO[C@H](C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588355481 1282453600 /nfs/dbraw/zinc/45/36/00/1282453600.db2.gz IQQRSMHQQYUJRI-IYXRBSQSSA-N -1 3 369.429 0.915 20 30 FCEDHM C#CCO[C@H](C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588355481 1282453606 /nfs/dbraw/zinc/45/36/06/1282453606.db2.gz IQQRSMHQQYUJRI-IYXRBSQSSA-N 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1282699755 /nfs/dbraw/zinc/69/97/55/1282699755.db2.gz OQERPIRIFDKEBF-LLVKDONJSA-N -1 3 352.395 0.897 20 30 FCEDHM CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776450 1282699767 /nfs/dbraw/zinc/69/97/67/1282699767.db2.gz OQERPIRIFDKEBF-LLVKDONJSA-N -1 3 352.395 0.897 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H]1CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588926596 1282727682 /nfs/dbraw/zinc/72/76/82/1282727682.db2.gz HRRPBLCDDRADAF-AAEUAGOBSA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H]1CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588926596 1282727686 /nfs/dbraw/zinc/72/76/86/1282727686.db2.gz HRRPBLCDDRADAF-AAEUAGOBSA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C1 ZINC001588928656 1282730053 /nfs/dbraw/zinc/73/00/53/1282730053.db2.gz WQHBDHGUXSEQAI-ZMLRMANQSA-N -1 3 372.820 0.969 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C1 ZINC001588928656 1282730062 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3 369.429 0.965 20 30 FCEDHM CC(C)C#CC(=O)N(CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001589379868 1282853352 /nfs/dbraw/zinc/85/33/52/1282853352.db2.gz DIMHSATZDDJQTK-UHFFFAOYSA-N -1 3 369.429 0.965 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589384660 1282860055 /nfs/dbraw/zinc/86/00/55/1282860055.db2.gz MQQFNNMLOZDICU-NWDGAFQWSA-N -1 3 357.418 0.867 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589384660 1282860064 /nfs/dbraw/zinc/86/00/64/1282860064.db2.gz MQQFNNMLOZDICU-NWDGAFQWSA-N -1 3 357.418 0.867 20 30 FCEDHM CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589384837 1282860254 /nfs/dbraw/zinc/86/02/54/1282860254.db2.gz RECIRUJZHMTLTD-CHWSQXEVSA-N -1 3 369.429 0.821 20 30 FCEDHM CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589384837 1282860260 /nfs/dbraw/zinc/86/02/60/1282860260.db2.gz RECIRUJZHMTLTD-CHWSQXEVSA-N -1 3 369.429 0.821 20 30 FCEDHM 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1277932269 /nfs/dbraw/zinc/93/22/69/1277932269.db2.gz ZOAVAQHAZMQQET-ZDUSSCGKSA-N -1 3 369.389 0.533 20 30 FCEDHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579859896 1277940485 /nfs/dbraw/zinc/94/04/85/1277940485.db2.gz WTZCOVQSPNNXFK-UFGOTCBOSA-N -1 3 359.365 0.485 20 30 FCEDHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579859896 1277940487 /nfs/dbraw/zinc/94/04/87/1277940487.db2.gz WTZCOVQSPNNXFK-UFGOTCBOSA-N -1 3 359.365 0.485 20 30 FCEDHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C#N ZINC001580028104 1277996182 /nfs/dbraw/zinc/99/61/82/1277996182.db2.gz ZGSPVLBTUQBNFB-UHFFFAOYSA-N -1 3 371.382 0.620 20 30 FCEDHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C#N ZINC001580028104 1277996188 /nfs/dbraw/zinc/99/61/88/1277996188.db2.gz ZGSPVLBTUQBNFB-UHFFFAOYSA-N -1 3 371.382 0.620 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001603189597 1287326572 /nfs/dbraw/zinc/32/65/72/1287326572.db2.gz PSNPNWPJHARKDB-ZDUSSCGKSA-N -1 3 372.404 0.987 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001603189597 1287326576 /nfs/dbraw/zinc/32/65/76/1287326576.db2.gz PSNPNWPJHARKDB-ZDUSSCGKSA-N -1 3 372.404 0.987 20 30 FCEDHM CC(C)[C@H](C#N)N1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001603200448 1287327487 /nfs/dbraw/zinc/32/74/87/1287327487.db2.gz ADBYFVRZTHWNRO-ZDUSSCGKSA-N -1 3 357.378 0.840 20 30 FCEDHM CC(C)[C@H](C#N)N1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001603200448 1287327489 /nfs/dbraw/zinc/32/74/89/1287327489.db2.gz ADBYFVRZTHWNRO-ZDUSSCGKSA-N -1 3 357.378 0.840 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCOCCNC(=O)[C@H](C)C#N)n1 ZINC001581063701 1279316033 /nfs/dbraw/zinc/31/60/33/1279316033.db2.gz WRXULBRNBJGBIR-LLVKDONJSA-N -1 3 358.406 0.299 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCOCCNC(=O)[C@H](C)C#N)n1 ZINC001581063701 1279316038 /nfs/dbraw/zinc/31/60/38/1279316038.db2.gz WRXULBRNBJGBIR-LLVKDONJSA-N -1 3 358.406 0.299 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581080402 1279337222 /nfs/dbraw/zinc/33/72/22/1279337222.db2.gz BIBPPULOKHMQPJ-APPDUMDISA-N -1 3 370.417 0.441 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581080402 1279337230 /nfs/dbraw/zinc/33/72/30/1279337230.db2.gz BIBPPULOKHMQPJ-APPDUMDISA-N -1 3 370.417 0.441 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001581119286 1279419613 /nfs/dbraw/zinc/41/96/13/1279419613.db2.gz OIENBXKIOFQJPX-PWSUYJOCSA-N -1 3 356.390 0.369 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001581119286 1279419621 /nfs/dbraw/zinc/41/96/21/1279419621.db2.gz OIENBXKIOFQJPX-PWSUYJOCSA-N -1 3 356.390 0.369 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001581137860 1279439065 /nfs/dbraw/zinc/43/90/65/1279439065.db2.gz KAXQOSGWKXIVSQ-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001581137860 1279439068 /nfs/dbraw/zinc/43/90/68/1279439068.db2.gz KAXQOSGWKXIVSQ-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001581137995 1279440152 /nfs/dbraw/zinc/44/01/52/1279440152.db2.gz LRDHZFRXVZQWTF-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001581137995 1279440155 /nfs/dbraw/zinc/44/01/55/1279440155.db2.gz LRDHZFRXVZQWTF-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM C[C@H](C[C@@H](C)Nc1ccncc1C#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001603457544 1287376936 /nfs/dbraw/zinc/37/69/36/1287376936.db2.gz INUJGDCVDGFAGC-GHMZBOCLSA-N -1 3 365.401 0.892 20 30 FCEDHM C[C@H](C[C@@H](C)Nc1ccncc1C#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001603457544 1287376942 /nfs/dbraw/zinc/37/69/42/1287376942.db2.gz INUJGDCVDGFAGC-GHMZBOCLSA-N -1 3 365.401 0.892 20 30 FCEDHM C[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1cncc(C#N)n1 ZINC001603483939 1287387927 /nfs/dbraw/zinc/38/79/27/1287387927.db2.gz ZVZUPHHFMKOKET-SECBINFHSA-N -1 3 352.362 0.477 20 30 FCEDHM C[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1cncc(C#N)n1 ZINC001603483939 1287387930 /nfs/dbraw/zinc/38/79/30/1287387930.db2.gz ZVZUPHHFMKOKET-SECBINFHSA-N -1 3 352.362 0.477 20 30 FCEDHM Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001581465497 1279999007 /nfs/dbraw/zinc/99/90/07/1279999007.db2.gz BQGZWOXAJQVDHM-NZPIUUIZSA-N -1 3 352.402 0.528 20 30 FCEDHM Cc1nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)ccc1-c1nnn[n-]1 ZINC001581481140 1280021052 /nfs/dbraw/zinc/02/10/52/1280021052.db2.gz UHZMGITUGKGEHJ-UHFFFAOYSA-N -1 3 363.385 0.732 20 30 FCEDHM Cc1nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)ccc1-c1nn[n-]n1 ZINC001581481140 1280021059 /nfs/dbraw/zinc/02/10/59/1280021059.db2.gz UHZMGITUGKGEHJ-UHFFFAOYSA-N -1 3 363.385 0.732 20 30 FCEDHM Cc1nc(N2CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)ccc1-c1nn[n-]n1 ZINC001581481228 1280022390 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362.419 0.431 20 30 FCEDHM Cn1cc(C2=NO[C@H](C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581764145 1280478065 /nfs/dbraw/zinc/47/80/65/1280478065.db2.gz DEGXIXBUQMHJAX-AWEZNQCLSA-N -1 3 363.341 0.604 20 30 FCEDHM Cn1cc(C2=NO[C@H](C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581764145 1280478070 /nfs/dbraw/zinc/47/80/70/1280478070.db2.gz DEGXIXBUQMHJAX-AWEZNQCLSA-N -1 3 363.341 0.604 20 30 FCEDHM N#CC1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001581856708 1280607670 /nfs/dbraw/zinc/60/76/70/1280607670.db2.gz AAEJQLUWNMJOOO-UHFFFAOYSA-N -1 3 369.385 0.033 20 30 FCEDHM N#CC1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001581856708 1280607675 /nfs/dbraw/zinc/60/76/75/1280607675.db2.gz AAEJQLUWNMJOOO-UHFFFAOYSA-N -1 3 369.385 0.033 20 30 FCEDHM N#C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)CCN1C1CC1 ZINC001581856719 1280608462 /nfs/dbraw/zinc/60/84/62/1280608462.db2.gz ALQWMFMQHICZCN-NSHDSACASA-N -1 3 358.431 0.810 20 30 FCEDHM N#CCCN(CCC#N)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 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ZINC001579145922 1276869844 /nfs/dbraw/zinc/86/98/44/1276869844.db2.gz BZYHGISLNMOPEI-UHFFFAOYSA-N -1 3 352.362 0.065 20 30 FCEDHM CN(CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC001579192164 1276965313 /nfs/dbraw/zinc/96/53/13/1276965313.db2.gz QHTQFCWGVHIEAO-UHFFFAOYSA-N -1 3 356.415 0.990 20 30 FCEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cnc(C#N)n1 ZINC001579236261 1277042904 /nfs/dbraw/zinc/04/29/04/1277042904.db2.gz OYIDOEUOHBBTQJ-UHFFFAOYSA-N -1 3 366.389 0.214 20 30 FCEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cnc(C#N)n1 ZINC001579236261 1277042912 /nfs/dbraw/zinc/04/29/12/1277042912.db2.gz OYIDOEUOHBBTQJ-UHFFFAOYSA-N -1 3 366.389 0.214 20 30 FCEDHM COC(=O)C1(C#N)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001579437415 1277308824 /nfs/dbraw/zinc/30/88/24/1277308824.db2.gz WZSFFYDBXLFZOM-UHFFFAOYSA-N -1 3 370.369 0.551 20 30 FCEDHM COC(=O)N[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001579466105 1277363487 /nfs/dbraw/zinc/36/34/87/1277363487.db2.gz BGKQMDJQWUECEG-KBPBESRZSA-N -1 3 369.385 0.506 20 30 FCEDHM COCC#CCN1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001579619415 1277666169 /nfs/dbraw/zinc/66/61/69/1277666169.db2.gz RURCOGPSPNLWBC-AWEZNQCLSA-N -1 3 357.418 0.429 20 30 FCEDHM COCC#CCN1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001579619415 1277666171 /nfs/dbraw/zinc/66/61/71/1277666171.db2.gz RURCOGPSPNLWBC-AWEZNQCLSA-N -1 3 357.418 0.429 20 30 FCEDHM COc1ccc(OS(=O)(=O)c2cncc(C#N)c2)cc1-c1nnn[n-]1 ZINC001580048822 1277999324 /nfs/dbraw/zinc/99/93/24/1277999324.db2.gz YPIWPTAEFPUKTF-UHFFFAOYSA-N -1 3 358.339 0.910 20 30 FCEDHM COc1ccc(OS(=O)(=O)c2cncc(C#N)c2)cc1-c1nn[n-]n1 ZINC001580048822 1277999331 /nfs/dbraw/zinc/99/93/31/1277999331.db2.gz YPIWPTAEFPUKTF-UHFFFAOYSA-N -1 3 358.339 0.910 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001581030809 1279268275 /nfs/dbraw/zinc/26/82/75/1279268275.db2.gz OTPJTCZOSIEMDU-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001581030809 1279268279 /nfs/dbraw/zinc/26/82/79/1279268279.db2.gz OTPJTCZOSIEMDU-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C#N)cn1 ZINC001581038449 1279274553 /nfs/dbraw/zinc/27/45/53/1279274553.db2.gz LZGXPAMXNKNOKJ-BETUJISGSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C#N)cn1 ZINC001581038449 1279274555 /nfs/dbraw/zinc/27/45/55/1279274555.db2.gz LZGXPAMXNKNOKJ-BETUJISGSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581079156 1279335142 /nfs/dbraw/zinc/33/51/42/1279335142.db2.gz QNPDJNXFGKUKOY-WCQYABFASA-N -1 3 370.417 0.441 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581079156 1279335148 /nfs/dbraw/zinc/33/51/48/1279335148.db2.gz QNPDJNXFGKUKOY-WCQYABFASA-N -1 3 370.417 0.441 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001581084124 1279347572 /nfs/dbraw/zinc/34/75/72/1279347572.db2.gz HIAQZZJQONCLOJ-VHRBIJSZSA-N -1 3 352.402 0.767 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001581084124 1279347583 /nfs/dbraw/zinc/34/75/83/1279347583.db2.gz HIAQZZJQONCLOJ-VHRBIJSZSA-N -1 3 352.402 0.767 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001581137830 1279438962 /nfs/dbraw/zinc/43/89/62/1279438962.db2.gz JEAZIFJLMDDIJI-CYBMUJFWSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001581137830 1279438968 /nfs/dbraw/zinc/43/89/68/1279438968.db2.gz JEAZIFJLMDDIJI-CYBMUJFWSA-N -1 3 363.385 0.779 20 30 FCEDHM C[C@@H](CCCNc1ccncc1C#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001603475632 1287383839 /nfs/dbraw/zinc/38/38/39/1287383839.db2.gz OFRFIUKDJXPNGR-NSHDSACASA-N -1 3 365.401 0.894 20 30 FCEDHM 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N#CCSCC(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001581858705 1280610515 /nfs/dbraw/zinc/61/05/15/1280610515.db2.gz RWWQILTYCJXSDZ-WCQYABFASA-N -1 3 370.442 0.556 20 30 FCEDHM N#CCSCC(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001581858705 1280610523 /nfs/dbraw/zinc/61/05/23/1280610523.db2.gz RWWQILTYCJXSDZ-WCQYABFASA-N -1 3 370.442 0.556 20 30 FCEDHM N#C[C@@]12CN(CCOc3cccc(-c4nnn[n-]4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581859777 1280611499 /nfs/dbraw/zinc/61/14/99/1280611499.db2.gz UXPBNTURWKVCBM-BBRMVZONSA-N -1 3 374.426 0.116 20 30 FCEDHM N#C[C@@]12CN(CCOc3cccc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581859777 1280611506 /nfs/dbraw/zinc/61/15/06/1280611506.db2.gz UXPBNTURWKVCBM-BBRMVZONSA-N -1 3 374.426 0.116 20 30 FCEDHM N#Cc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)nc2n1CCOC2 ZINC001581860950 1280613094 /nfs/dbraw/zinc/61/30/94/1280613094.db2.gz AQJJBKYXCVUQQX-UHFFFAOYSA-N -1 3 350.342 0.646 20 30 FCEDHM N#Cc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)nc2n1CCOC2 ZINC001581860950 1280613099 /nfs/dbraw/zinc/61/30/99/1280613099.db2.gz AQJJBKYXCVUQQX-UHFFFAOYSA-N -1 3 350.342 0.646 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccn1 ZINC001581866741 1280620851 /nfs/dbraw/zinc/62/08/51/1280620851.db2.gz SDVQDDOHAUMWDJ-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccn1 ZINC001581866741 1280620853 /nfs/dbraw/zinc/62/08/53/1280620853.db2.gz SDVQDDOHAUMWDJ-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581867287 1280623681 /nfs/dbraw/zinc/62/36/81/1280623681.db2.gz BNNPDAFMBPBPJA-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581867287 1280623689 /nfs/dbraw/zinc/62/36/89/1280623689.db2.gz BNNPDAFMBPBPJA-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]1 ZINC001581867719 1280623935 /nfs/dbraw/zinc/62/39/35/1280623935.db2.gz SREGSHKMJXRPNI-UHFFFAOYSA-N -1 3 368.426 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1285291392 /nfs/dbraw/zinc/29/13/92/1285291392.db2.gz OJAFFVVAOACQKA-UHFFFAOYSA-N -1 3 372.352 0.697 20 30 FCEDHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)n(-c2ccc(C#N)cc2)n1 ZINC001592378922 1285291405 /nfs/dbraw/zinc/29/14/05/1285291405.db2.gz OJAFFVVAOACQKA-UHFFFAOYSA-N -1 3 372.352 0.697 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3c(C#N)cccc3C#N)CC2)c1-c1nnn[n-]1 ZINC001592443344 1285380231 /nfs/dbraw/zinc/38/02/31/1285380231.db2.gz ZNLVVNMZLPUYNY-UHFFFAOYSA-N -1 3 374.412 0.979 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3c(C#N)cccc3C#N)CC2)c1-c1nn[n-]n1 ZINC001592443344 1285380241 /nfs/dbraw/zinc/38/02/41/1285380241.db2.gz ZNLVVNMZLPUYNY-UHFFFAOYSA-N -1 3 374.412 0.979 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3cnccc3C#N)CC2)c1-c1nnn[n-]1 ZINC001592443218 1285381736 /nfs/dbraw/zinc/38/17/36/1285381736.db2.gz UGHQSJPROVADQK-UHFFFAOYSA-N -1 3 350.390 0.502 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3cnccc3C#N)CC2)c1-c1nn[n-]n1 ZINC001592443218 1285381742 /nfs/dbraw/zinc/38/17/42/1285381742.db2.gz UGHQSJPROVADQK-UHFFFAOYSA-N -1 3 350.390 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ZINC001604831458 1287791806 /nfs/dbraw/zinc/79/18/06/1287791806.db2.gz NYYVJYVWBZHTBK-GFCCVEGCSA-N -1 3 364.373 0.207 20 30 FCEDHM CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001604831458 1287791808 /nfs/dbraw/zinc/79/18/08/1287791808.db2.gz NYYVJYVWBZHTBK-GFCCVEGCSA-N -1 3 364.373 0.207 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCn1ccnn1 ZINC001592666739 1285563825 /nfs/dbraw/zinc/56/38/25/1285563825.db2.gz PXTMVJCJKUMNPN-CQSZACIVSA-N -1 3 351.374 0.347 20 30 FCEDHM N#CC1(CNC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)CC1 ZINC001592667985 1285564811 /nfs/dbraw/zinc/56/48/11/1285564811.db2.gz BPNAPBFYUQUHTP-UHFFFAOYSA-N -1 3 353.390 0.397 20 30 FCEDHM N#CC1(CNC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)CC1 ZINC001592667985 1285564816 /nfs/dbraw/zinc/56/48/16/1285564816.db2.gz BPNAPBFYUQUHTP-UHFFFAOYSA-N -1 3 353.390 0.397 20 30 FCEDHM N#CC1(COC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)COC1 ZINC001592669770 1285565643 /nfs/dbraw/zinc/56/56/43/1285565643.db2.gz 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ZINC001602697040 1287060937 /nfs/dbraw/zinc/06/09/37/1287060937.db2.gz JIOBJLNWHKUQPA-HIFRSBDPSA-N -1 3 369.381 0.801 20 30 FCEDHM C#CC[C@@H](COC)OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602697040 1287060949 /nfs/dbraw/zinc/06/09/49/1287060949.db2.gz JIOBJLNWHKUQPA-HIFRSBDPSA-N -1 3 369.381 0.801 20 30 FCEDHM C#CCC1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC001602700504 1287063659 /nfs/dbraw/zinc/06/36/59/1287063659.db2.gz XJFWIRVPUCJHRU-UHFFFAOYSA-N -1 3 358.402 0.865 20 30 FCEDHM C#CCC1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC001602700504 1287063671 /nfs/dbraw/zinc/06/36/71/1287063671.db2.gz XJFWIRVPUCJHRU-UHFFFAOYSA-N -1 3 358.402 0.865 20 30 FCEDHM C#CCCCCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001602706599 1287067697 /nfs/dbraw/zinc/06/76/97/1287067697.db2.gz WNFCPHFOCUVFNT-GJZGRUSLSA-N -1 3 369.429 0.511 20 30 FCEDHM C#CCCCCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001602706599 1287067712 /nfs/dbraw/zinc/06/77/12/1287067712.db2.gz WNFCPHFOCUVFNT-GJZGRUSLSA-N -1 3 369.429 0.511 20 30 FCEDHM C#CCN(C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCN(C)CC1 ZINC001602711617 1287070484 /nfs/dbraw/zinc/07/04/84/1287070484.db2.gz LGDXJPYJOSSLKI-OAHLLOKOSA-N -1 3 363.458 0.646 20 30 FCEDHM C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602712608 1287072185 /nfs/dbraw/zinc/07/21/85/1287072185.db2.gz PZTQRYIVLDJVNR-UHFFFAOYSA-N -1 3 374.376 0.120 20 30 FCEDHM C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602712608 1287072190 /nfs/dbraw/zinc/07/21/90/1287072190.db2.gz PZTQRYIVLDJVNR-UHFFFAOYSA-N -1 3 374.376 0.120 20 30 FCEDHM C#CCN(C)CCCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001602713790 1287072392 /nfs/dbraw/zinc/07/23/92/1287072392.db2.gz UBVRIFOIESAYDG-UHFFFAOYSA-N -1 3 361.354 0.123 20 30 FCEDHM C#CCN(CC#CC)c1nnc([C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC001602719919 1287073168 /nfs/dbraw/zinc/07/31/68/1287073168.db2.gz LIMVQAXKMXCQKT-HNNXBMFYSA-N -1 3 362.397 0.540 20 30 FCEDHM C#CCN(CC#CC)c1nnc([C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC001602719919 1287073178 /nfs/dbraw/zinc/07/31/78/1287073178.db2.gz LIMVQAXKMXCQKT-HNNXBMFYSA-N -1 3 362.397 0.540 20 30 FCEDHM C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001602721606 1287075879 /nfs/dbraw/zinc/07/58/79/1287075879.db2.gz PYIULNQLTDNJAL-GFCCVEGCSA-N -1 3 364.406 0.382 20 30 FCEDHM C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001602721606 1287075890 /nfs/dbraw/zinc/07/58/90/1287075890.db2.gz PYIULNQLTDNJAL-GFCCVEGCSA-N -1 3 364.406 0.382 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)NCCNc1snc(C)c1-c1nnn[n-]1 ZINC001602721510 1287077719 /nfs/dbraw/zinc/07/77/19/1287077719.db2.gz MJPQKZJUZOFDOS-NSHDSACASA-N -1 3 360.447 0.257 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)NCCNc1snc(C)c1-c1nn[n-]n1 ZINC001602721510 1287077731 /nfs/dbraw/zinc/07/77/31/1287077731.db2.gz MJPQKZJUZOFDOS-NSHDSACASA-N -1 3 360.447 0.257 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602721750 1287079151 /nfs/dbraw/zinc/07/91/51/1287079151.db2.gz VFOSOVJRFMPCHG-KRWDZBQOSA-N -1 3 365.441 0.265 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001602724092 1287080023 /nfs/dbraw/zinc/08/00/23/1287080023.db2.gz AQPORDVVUUAGBZ-JSGCOSHPSA-N -1 3 369.429 0.631 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001602724092 1287080030 /nfs/dbraw/zinc/08/00/30/1287080030.db2.gz AQPORDVVUUAGBZ-JSGCOSHPSA-N -1 3 369.429 0.631 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001602724383 1287080863 /nfs/dbraw/zinc/08/08/63/1287080863.db2.gz DLTJJRMCBMGYSZ-ZDUSSCGKSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001602724383 1287080873 /nfs/dbraw/zinc/08/08/73/1287080873.db2.gz DLTJJRMCBMGYSZ-ZDUSSCGKSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001602724333 1287080997 /nfs/dbraw/zinc/08/09/97/1287080997.db2.gz CRIQMUOZSQDLLO-NSHDSACASA-N -1 3 373.392 0.842 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001602724333 1287081007 /nfs/dbraw/zinc/08/10/07/1287081007.db2.gz CRIQMUOZSQDLLO-NSHDSACASA-N -1 3 373.392 0.842 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001602724818 1287083506 /nfs/dbraw/zinc/08/35/06/1287083506.db2.gz HCQBOCNLEMUPOH-UONOGXRCSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001602724818 1287083518 /nfs/dbraw/zinc/08/35/18/1287083518.db2.gz HCQBOCNLEMUPOH-UONOGXRCSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001602725816 1287087614 /nfs/dbraw/zinc/08/76/14/1287087614.db2.gz NJCMIUFIGJFPDN-NGFQHRJXSA-N -1 3 367.413 0.098 20 30 FCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001602725816 1287087626 /nfs/dbraw/zinc/08/76/26/1287087626.db2.gz NJCMIUFIGJFPDN-NGFQHRJXSA-N -1 3 367.413 0.098 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001602726385 1287088305 /nfs/dbraw/zinc/08/83/05/1287088305.db2.gz FNZBZDKUTXEZJB-CQSZACIVSA-N -1 3 369.429 0.647 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001602726385 1287088316 /nfs/dbraw/zinc/08/83/16/1287088316.db2.gz FNZBZDKUTXEZJB-CQSZACIVSA-N -1 3 369.429 0.647 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001602726335 1287089164 /nfs/dbraw/zinc/08/91/64/1287089164.db2.gz DYFAANOABCFJLJ-GOSISDBHSA-N -1 3 369.429 0.952 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001602726335 1287089173 /nfs/dbraw/zinc/08/91/73/1287089173.db2.gz DYFAANOABCFJLJ-GOSISDBHSA-N -1 3 369.429 0.952 20 30 FCEDHM C#CCO[C@H](C)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001602727091 1287091407 /nfs/dbraw/zinc/09/14/07/1287091407.db2.gz LAHYSNCQWZFEKF-LLVKDONJSA-N -1 3 352.358 0.483 20 30 FCEDHM C#CCO[C@H](C)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602727091 1287091415 /nfs/dbraw/zinc/09/14/15/1287091415.db2.gz LAHYSNCQWZFEKF-LLVKDONJSA-N -1 3 352.358 0.483 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001602727097 1287092034 /nfs/dbraw/zinc/09/20/34/1287092034.db2.gz LEGHTABECNFVRY-OJDYBEQGSA-N -1 3 367.413 0.526 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1 ZINC001602727097 1287092047 /nfs/dbraw/zinc/09/20/47/1287092047.db2.gz LEGHTABECNFVRY-OJDYBEQGSA-N -1 3 367.413 0.526 20 30 FCEDHM C#Cc1ccc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001602736634 1287099417 /nfs/dbraw/zinc/09/94/17/1287099417.db2.gz BZEHZMSJVXZJIX-UHFFFAOYSA-N -1 3 359.393 0.857 20 30 FCEDHM C#Cc1ccc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001602736634 1287099424 /nfs/dbraw/zinc/09/94/24/1287099424.db2.gz BZEHZMSJVXZJIX-UHFFFAOYSA-N -1 3 359.393 0.857 20 30 FCEDHM C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(-c3nnn[n-]3)n2C)c1 ZINC001602741272 1287101967 /nfs/dbraw/zinc/10/19/67/1287101967.db2.gz CPFAAGLYPRKNSB-UHFFFAOYSA-N -1 3 363.381 0.579 20 30 FCEDHM C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(-c3nn[n-]n3)n2C)c1 ZINC001602741272 1287101973 /nfs/dbraw/zinc/10/19/73/1287101973.db2.gz CPFAAGLYPRKNSB-UHFFFAOYSA-N -1 3 363.381 0.579 20 30 FCEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001602783716 1287113030 /nfs/dbraw/zinc/11/30/30/1287113030.db2.gz DGMLYGQVIDLLRN-ZIAGYGMSSA-N -1 3 371.445 0.920 20 30 FCEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001602783716 1287113037 /nfs/dbraw/zinc/11/30/37/1287113037.db2.gz DGMLYGQVIDLLRN-ZIAGYGMSSA-N -1 3 371.445 0.920 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001602793721 1287118351 /nfs/dbraw/zinc/11/83/51/1287118351.db2.gz NWJQQTKMZVQOGE-KRWDZBQOSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001602793721 1287118355 /nfs/dbraw/zinc/11/83/55/1287118355.db2.gz NWJQQTKMZVQOGE-KRWDZBQOSA-N -1 3 357.418 0.674 20 30 FCEDHM C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(=O)OC ZINC001602811302 1287122922 /nfs/dbraw/zinc/12/29/22/1287122922.db2.gz INIDEDAPRUFNJP-VIFPVBQESA-N -1 3 351.388 0.896 20 30 FCEDHM C=CC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(=O)OC ZINC001602811302 1287122930 /nfs/dbraw/zinc/12/29/30/1287122930.db2.gz INIDEDAPRUFNJP-VIFPVBQESA-N -1 3 351.388 0.896 20 30 FCEDHM C=CCC1(O)CCN(c2nnc(-c3cncc(-c4nnn[n-]4)c3)n2C)CC1 ZINC001602818166 1287123986 /nfs/dbraw/zinc/12/39/86/1287123986.db2.gz FDJUTBRVXDQROW-UHFFFAOYSA-N -1 3 367.417 0.965 20 30 FCEDHM C=CCC1(O)CCN(c2nnc(-c3cncc(-c4nn[n-]n4)c3)n2C)CC1 ZINC001602818166 1287123992 /nfs/dbraw/zinc/12/39/92/1287123992.db2.gz FDJUTBRVXDQROW-UHFFFAOYSA-N -1 3 367.417 0.965 20 30 FCEDHM C=CCCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001602824853 1287126783 /nfs/dbraw/zinc/12/67/83/1287126783.db2.gz QIVNMQCIKCBMHP-UHFFFAOYSA-N -1 3 371.445 0.984 20 30 FCEDHM C=CCCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001602824853 1287126786 /nfs/dbraw/zinc/12/67/86/1287126786.db2.gz QIVNMQCIKCBMHP-UHFFFAOYSA-N -1 3 371.445 0.984 20 30 FCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001602831640 1287128472 /nfs/dbraw/zinc/12/84/72/1287128472.db2.gz DHJWDLQYQOCNPK-CYBMUJFWSA-N -1 3 359.434 0.874 20 30 FCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001602831640 1287128477 /nfs/dbraw/zinc/12/84/77/1287128477.db2.gz DHJWDLQYQOCNPK-CYBMUJFWSA-N -1 3 359.434 0.874 20 30 FCEDHM C=CCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001602847177 1287135733 /nfs/dbraw/zinc/13/57/33/1287135733.db2.gz KVSLQVLWINAZAP-UHFFFAOYSA-N -1 3 360.374 0.475 20 30 FCEDHM C=CCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001602847177 1287135738 /nfs/dbraw/zinc/13/57/38/1287135738.db2.gz KVSLQVLWINAZAP-UHFFFAOYSA-N -1 3 360.374 0.475 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCC(=O)N(C)C ZINC001602858004 1287137945 /nfs/dbraw/zinc/13/79/45/1287137945.db2.gz GYEJURRWQJGDLD-UHFFFAOYSA-N -1 3 359.459 0.817 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCC(=O)N(C)C ZINC001602858004 1287137949 /nfs/dbraw/zinc/13/79/49/1287137949.db2.gz GYEJURRWQJGDLD-UHFFFAOYSA-N -1 3 359.459 0.817 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC001602853609 1287138598 /nfs/dbraw/zinc/13/85/98/1287138598.db2.gz FWLHHHKLHQDQEW-OAHLLOKOSA-N -1 3 370.413 0.365 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC001602853609 1287138604 /nfs/dbraw/zinc/13/86/04/1287138604.db2.gz FWLHHHKLHQDQEW-OAHLLOKOSA-N -1 3 370.413 0.365 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001602870679 1287143888 /nfs/dbraw/zinc/14/38/88/1287143888.db2.gz LGYFHAFQNIYHEL-BXUZGUMPSA-N -1 3 357.418 0.714 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001602870679 1287143895 /nfs/dbraw/zinc/14/38/95/1287143895.db2.gz LGYFHAFQNIYHEL-BXUZGUMPSA-N -1 3 357.418 0.714 20 30 FCEDHM C=CCOC[C@@H]1NC(=O)N([C@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1=O ZINC001602870028 1287144599 /nfs/dbraw/zinc/14/45/99/1287144599.db2.gz HFPMSNZMZRMDDA-KBPBESRZSA-N -1 3 354.370 0.977 20 30 FCEDHM C=CCOC[C@@H]1NC(=O)N([C@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1=O ZINC001602870028 1287144604 /nfs/dbraw/zinc/14/46/04/1287144604.db2.gz HFPMSNZMZRMDDA-KBPBESRZSA-N -1 3 354.370 0.977 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)n2C)nnc1N1CCCOCC1 ZINC001602876198 1287145818 /nfs/dbraw/zinc/14/58/18/1287145818.db2.gz SGAGJPLWZRHWAC-UHFFFAOYSA-N -1 3 355.406 0.876 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)n2C)nnc1N1CCCOCC1 ZINC001602876198 1287145821 /nfs/dbraw/zinc/14/58/21/1287145821.db2.gz SGAGJPLWZRHWAC-UHFFFAOYSA-N -1 3 355.406 0.876 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001602875501 1287145846 /nfs/dbraw/zinc/14/58/46/1287145846.db2.gz GMUCHQQCZMOZCR-OKILXGFUSA-N -1 3 366.385 0.873 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001602875501 1287145850 /nfs/dbraw/zinc/14/58/50/1287145850.db2.gz GMUCHQQCZMOZCR-OKILXGFUSA-N -1 3 366.385 0.873 20 30 FCEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCC(=O)NC ZINC001602880039 1287147519 /nfs/dbraw/zinc/14/75/19/1287147519.db2.gz ZOBYTAJSSDPBMF-UHFFFAOYSA-N -1 3 367.417 0.884 20 30 FCEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCC(=O)NC ZINC001602880039 1287147522 /nfs/dbraw/zinc/14/75/22/1287147522.db2.gz ZOBYTAJSSDPBMF-UHFFFAOYSA-N -1 3 367.417 0.884 20 30 FCEDHM C=CCn1cc(C(=O)NCCCNc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001602882488 1287147892 /nfs/dbraw/zinc/14/78/92/1287147892.db2.gz KUXMEPXJITXGDF-UHFFFAOYSA-N -1 3 368.405 0.580 20 30 FCEDHM C=CCn1cc(C(=O)NCCCNc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001602882488 1287147901 /nfs/dbraw/zinc/14/79/01/1287147901.db2.gz KUXMEPXJITXGDF-UHFFFAOYSA-N -1 3 368.405 0.580 20 30 FCEDHM CC#CCNCc1cn(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001602897642 1287152448 /nfs/dbraw/zinc/15/24/48/1287152448.db2.gz NZQXRJNVEGUWJK-HNNXBMFYSA-N -1 3 368.401 0.011 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001602981246 1287171016 /nfs/dbraw/zinc/17/10/16/1287171016.db2.gz BTYFWCQFNPCPMA-NSHDSACASA-N -1 3 373.442 0.501 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602981956 1287172787 /nfs/dbraw/zinc/17/27/87/1287172787.db2.gz MTQXURVQMXVRSK-YPMHNXCESA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602981956 1287172791 /nfs/dbraw/zinc/17/27/91/1287172791.db2.gz MTQXURVQMXVRSK-YPMHNXCESA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001602981504 1287173398 /nfs/dbraw/zinc/17/33/98/1287173398.db2.gz GPXQMVBLJVHJKF-MNOVXSKESA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001602982403 1287173454 /nfs/dbraw/zinc/17/34/54/1287173454.db2.gz TXONRFYGDFKZQK-ZMLRMANQSA-N -1 3 356.365 0.455 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001602982403 1287173458 /nfs/dbraw/zinc/17/34/58/1287173458.db2.gz TXONRFYGDFKZQK-ZMLRMANQSA-N -1 3 356.365 0.455 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001602982498 1287174163 /nfs/dbraw/zinc/17/41/63/1287174163.db2.gz WXAWAFXGBNMNNS-SNVBAGLBSA-N -1 3 356.390 0.323 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001602983663 1287174576 /nfs/dbraw/zinc/17/45/76/1287174576.db2.gz LPCYXBOEVNWJBL-PIGZYNQJSA-N -1 3 373.392 0.613 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001602983663 1287174579 /nfs/dbraw/zinc/17/45/79/1287174579.db2.gz LPCYXBOEVNWJBL-PIGZYNQJSA-N -1 3 373.392 0.613 20 30 FCEDHM C[C@H](C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1)n1cnc(C#N)n1 ZINC001603032627 1287193875 /nfs/dbraw/zinc/19/38/75/1287193875.db2.gz RMDYSZIIUONPQK-LLVKDONJSA-N -1 3 368.357 0.903 20 30 FCEDHM C[C@H](C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1)n1cnc(C#N)n1 ZINC001603032627 1287193879 /nfs/dbraw/zinc/19/38/79/1287193879.db2.gz RMDYSZIIUONPQK-LLVKDONJSA-N -1 3 368.357 0.903 20 30 FCEDHM C=CCN1CCC(NC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001609398689 1289137988 /nfs/dbraw/zinc/13/79/88/1289137988.db2.gz BWKGKOAZZVUPFW-CQSZACIVSA-N -1 3 362.434 0.973 20 30 FCEDHM C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001609398980 1289138273 /nfs/dbraw/zinc/13/82/73/1289138273.db2.gz VAMZRFGHFVFBHV-UHFFFAOYSA-N -1 3 361.398 0.855 20 30 FCEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)C(=O)N(CCC#N)CC1CC1 ZINC001605169168 1287900242 /nfs/dbraw/zinc/90/02/42/1287900242.db2.gz WSXHJMIPSNBAJB-UHFFFAOYSA-N -1 3 369.385 0.966 20 30 FCEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)C(=O)N(CCC#N)CC1CC1 ZINC001605169168 1287900247 /nfs/dbraw/zinc/90/02/47/1287900247.db2.gz WSXHJMIPSNBAJB-UHFFFAOYSA-N -1 3 369.385 0.966 20 30 FCEDHM COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(F)cc1-c1nnn[n-]1 ZINC001605226452 1287912406 /nfs/dbraw/zinc/91/24/06/1287912406.db2.gz OISRKDUQIWORMX-DTWKUNHWSA-N -1 3 373.348 0.761 20 30 FCEDHM COc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c(F)cc1-c1nn[n-]n1 ZINC001605226452 1287912410 /nfs/dbraw/zinc/91/24/10/1287912410.db2.gz OISRKDUQIWORMX-DTWKUNHWSA-N -1 3 373.348 0.761 20 30 FCEDHM CSC1([C@H](C#N)N(C)S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001605368946 1287942812 /nfs/dbraw/zinc/94/28/12/1287942812.db2.gz PFSYNUDEUYHAFD-NSHDSACASA-N -1 3 365.444 0.670 20 30 FCEDHM CSC1([C@H](C#N)N(C)S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001605368946 1287942816 /nfs/dbraw/zinc/94/28/16/1287942816.db2.gz PFSYNUDEUYHAFD-NSHDSACASA-N -1 3 365.444 0.670 20 30 FCEDHM Cc1cc(C(=O)N2CC(O)(CC#N)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC001605594401 1288021899 /nfs/dbraw/zinc/02/18/99/1288021899.db2.gz NVCLSKDCPZZEEQ-UHFFFAOYSA-N -1 3 364.369 0.461 20 30 FCEDHM Cc1cc(C(=O)N2CC(O)(CC#N)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC001605594401 1288021908 /nfs/dbraw/zinc/02/19/08/1288021908.db2.gz NVCLSKDCPZZEEQ-UHFFFAOYSA-N -1 3 364.369 0.461 20 30 FCEDHM Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)c(-c2nnn[n-]2)cc1N(C)C ZINC001605710637 1288056546 /nfs/dbraw/zinc/05/65/46/1288056546.db2.gz KFXZNALETQYOIE-LLVKDONJSA-N -1 3 356.390 0.997 20 30 FCEDHM Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)c(-c2nn[n-]n2)cc1N(C)C ZINC001605710637 1288056552 /nfs/dbraw/zinc/05/65/52/1288056552.db2.gz KFXZNALETQYOIE-LLVKDONJSA-N -1 3 356.390 0.997 20 30 FCEDHM Cc1cc(=N[C@H]2CCN(C(=O)CSCC#N)C2)c(-c2nnn[n-]2)c[nH]1 ZINC001605740178 1288068365 /nfs/dbraw/zinc/06/83/65/1288068365.db2.gz QTMUMDJAXRXOBW-NSHDSACASA-N -1 3 358.431 0.262 20 30 FCEDHM Cc1cc(=N[C@H]2CCN(C(=O)CSCC#N)C2)c(-c2nn[n-]n2)c[nH]1 ZINC001605740178 1288068367 /nfs/dbraw/zinc/06/83/67/1288068367.db2.gz QTMUMDJAXRXOBW-NSHDSACASA-N -1 3 358.431 0.262 20 30 FCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)NC1CCC2(CC1)OCCO2 ZINC001606023702 1288131715 /nfs/dbraw/zinc/13/17/15/1288131715.db2.gz CWSQVWWSYBXJAZ-UHFFFAOYSA-N -1 3 372.389 0.045 20 30 FCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)NC1CCC2(CC1)OCCO2 ZINC001606023702 1288131719 /nfs/dbraw/zinc/13/17/19/1288131719.db2.gz CWSQVWWSYBXJAZ-UHFFFAOYSA-N -1 3 372.389 0.045 20 30 FCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)Nc1cccc2nsnc21 ZINC001606024152 1288132921 /nfs/dbraw/zinc/13/29/21/1288132921.db2.gz VFZRYIRWFLVXJQ-UHFFFAOYSA-N -1 3 366.370 0.887 20 30 FCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)Nc1cccc2nsnc21 ZINC001606024152 1288132924 /nfs/dbraw/zinc/13/29/24/1288132924.db2.gz VFZRYIRWFLVXJQ-UHFFFAOYSA-N -1 3 366.370 0.887 20 30 FCEDHM Cc1nsc(NC/C=C\CNC(=O)CSCC#N)c1-c1nnn[n-]1 ZINC001606158294 1288191634 /nfs/dbraw/zinc/19/16/34/1288191634.db2.gz IWKOYXNVXJAUPQ-IHWYPQMZSA-N -1 3 364.460 0.973 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1(O)CCOCC1 ZINC001606336967 1288263159 /nfs/dbraw/zinc/26/31/59/1288263159.db2.gz BQHNGNAWALMXDI-OAHLLOKOSA-N -1 3 370.413 0.597 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(CC(N)=O)CC1 ZINC001606336577 1288263552 /nfs/dbraw/zinc/26/35/52/1288263552.db2.gz FKDLPEGBXXLIMM-OAHLLOKOSA-N -1 3 367.413 0.663 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001606336470 1288263722 /nfs/dbraw/zinc/26/37/22/1288263722.db2.gz BERYDXIPVPARNS-LSDHHAIUSA-N -1 3 365.397 0.382 20 30 FCEDHM N#CC1(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001606342891 1288264212 /nfs/dbraw/zinc/26/42/12/1288264212.db2.gz GRYVVSOCTWNJHN-UHFFFAOYSA-N -1 3 362.415 0.606 20 30 FCEDHM N#CC1(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001606342891 1288264213 /nfs/dbraw/zinc/26/42/13/1288264213.db2.gz GRYVVSOCTWNJHN-UHFFFAOYSA-N -1 3 362.415 0.606 20 30 FCEDHM N#CCSCC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001606350723 1288266485 /nfs/dbraw/zinc/26/64/85/1288266485.db2.gz AWZNAPVWGPIDCP-SECBINFHSA-N -1 3 365.394 0.152 20 30 FCEDHM N#CCSCC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001606350723 1288266489 /nfs/dbraw/zinc/26/64/89/1288266489.db2.gz AWZNAPVWGPIDCP-SECBINFHSA-N -1 3 365.394 0.152 20 30 FCEDHM N#CCSCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606351581 1288268625 /nfs/dbraw/zinc/26/86/25/1288268625.db2.gz WQWKIURBTYXRAF-NSHDSACASA-N -1 3 358.431 0.779 20 30 FCEDHM N#CCSCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606351581 1288268630 /nfs/dbraw/zinc/26/86/30/1288268630.db2.gz WQWKIURBTYXRAF-NSHDSACASA-N -1 3 358.431 0.779 20 30 FCEDHM N#CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC001606354850 1288270753 /nfs/dbraw/zinc/27/07/53/1288270753.db2.gz UQDRLKCVBUVGDC-UHFFFAOYSA-N -1 3 355.293 0.303 20 30 FCEDHM N#CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001606354850 1288270756 /nfs/dbraw/zinc/27/07/56/1288270756.db2.gz UQDRLKCVBUVGDC-UHFFFAOYSA-N -1 3 355.293 0.303 20 30 FCEDHM N#Cc1cc(C(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)co1 ZINC001606359761 1288273312 /nfs/dbraw/zinc/27/33/12/1288273312.db2.gz DKPGQCYBHCHYGB-UHFFFAOYSA-N -1 3 350.342 0.689 20 30 FCEDHM N#Cc1cc(C(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)co1 ZINC001606359761 1288273316 /nfs/dbraw/zinc/27/33/16/1288273316.db2.gz DKPGQCYBHCHYGB-UHFFFAOYSA-N -1 3 350.342 0.689 20 30 FCEDHM N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001606377876 1288279222 /nfs/dbraw/zinc/27/92/22/1288279222.db2.gz UYWMDKOFJYNUCP-XYPYZODXSA-N -1 3 350.346 0.229 20 30 FCEDHM N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001606377876 1288279228 /nfs/dbraw/zinc/27/92/28/1288279228.db2.gz UYWMDKOFJYNUCP-XYPYZODXSA-N -1 3 350.346 0.229 20 30 FCEDHM O=C(NCC#C[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001606696983 1288450863 /nfs/dbraw/zinc/45/08/63/1288450863.db2.gz YNRACCXHURBRQZ-LBPRGKRZSA-N -1 3 372.360 0.633 20 30 FCEDHM O=C(NCC#C[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001606696983 1288450868 /nfs/dbraw/zinc/45/08/68/1288450868.db2.gz YNRACCXHURBRQZ-LBPRGKRZSA-N -1 3 372.360 0.633 20 30 FCEDHM C#CCCN1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC001609020523 1288882705 /nfs/dbraw/zinc/88/27/05/1288882705.db2.gz OLGGGMVPTSZQAC-AWEZNQCLSA-N -1 3 371.470 0.674 20 30 FCEDHM C#CCCN1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC001609020523 1288882706 /nfs/dbraw/zinc/88/27/06/1288882706.db2.gz OLGGGMVPTSZQAC-AWEZNQCLSA-N -1 3 371.470 0.674 20 30 FCEDHM C=CC[C@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(=O)OCC ZINC001609053487 1288889061 /nfs/dbraw/zinc/88/90/61/1288889061.db2.gz KVZXGTOYYBBVFV-NSHDSACASA-N -1 3 352.376 0.048 20 30 FCEDHM C=CC[C@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(=O)OCC ZINC001609053487 1288889068 /nfs/dbraw/zinc/88/90/68/1288889068.db2.gz KVZXGTOYYBBVFV-NSHDSACASA-N -1 3 352.376 0.048 20 30 FCEDHM C=CCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609055314 1288890266 /nfs/dbraw/zinc/89/02/66/1288890266.db2.gz UWEKYMYFTQBDCA-LLVKDONJSA-N -1 3 364.431 0.568 20 30 FCEDHM C=CCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609055314 1288890275 /nfs/dbraw/zinc/89/02/75/1288890275.db2.gz UWEKYMYFTQBDCA-LLVKDONJSA-N -1 3 364.431 0.568 20 30 FCEDHM C=CCCO[C@H](C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001609055386 1288890605 /nfs/dbraw/zinc/89/06/05/1288890605.db2.gz YNSRTYWNSAUODB-CYBMUJFWSA-N -1 3 357.418 0.892 20 30 FCEDHM C=CCCO[C@H](C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001609055386 1288890608 /nfs/dbraw/zinc/89/06/08/1288890608.db2.gz YNSRTYWNSAUODB-CYBMUJFWSA-N -1 3 357.418 0.892 20 30 FCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609058728 1288892905 /nfs/dbraw/zinc/89/29/05/1288892905.db2.gz QWPOJPCJRKZNKF-JTQLQIEISA-N -1 3 358.358 0.732 20 30 FCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609058728 1288892906 /nfs/dbraw/zinc/89/29/06/1288892906.db2.gz QWPOJPCJRKZNKF-JTQLQIEISA-N -1 3 358.358 0.732 20 30 FCEDHM CC(C)(C)n1nnnc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001609083000 1288909570 /nfs/dbraw/zinc/90/95/70/1288909570.db2.gz QHSSQOBAVVTOBT-UHFFFAOYSA-N -1 3 357.407 0.749 20 30 FCEDHM CC(C)(C)n1nnnc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001609083000 1288909574 /nfs/dbraw/zinc/90/95/74/1288909574.db2.gz QHSSQOBAVVTOBT-UHFFFAOYSA-N -1 3 357.407 0.749 20 30 FCEDHM C[C@H](CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)[S@@](C)=O ZINC001609109718 1288924271 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C[C@H](NC(=O)C(=O)NCC1(CC#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603602002 1287434138 /nfs/dbraw/zinc/43/41/38/1287434138.db2.gz HDQZSKNNCUXOAP-NSHDSACASA-N -1 3 353.386 0.854 20 30 FCEDHM N#Cc1c2c(nc(N3CC[C@@H](O)[C@@H](O)C3)c1-c1nnn[n-]1)CCCCCC2 ZINC001581861035 1280614713 /nfs/dbraw/zinc/61/47/13/1280614713.db2.gz GJCRIJOFNFHXSJ-CABCVRRESA-N -1 3 369.429 0.724 20 30 FCEDHM N#Cc1c2c(nc(N3CC[C@@H](O)[C@@H](O)C3)c1-c1nn[n-]n1)CCCCCC2 ZINC001581861035 1280614718 /nfs/dbraw/zinc/61/47/18/1280614718.db2.gz GJCRIJOFNFHXSJ-CABCVRRESA-N -1 3 369.429 0.724 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c[nH]1 ZINC001581864819 1280618376 /nfs/dbraw/zinc/61/83/76/1280618376.db2.gz PTUYOFZCMUIYRB-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c[nH]1 ZINC001581864819 1280618385 /nfs/dbraw/zinc/61/83/85/1280618385.db2.gz PTUYOFZCMUIYRB-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM 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20 30 FCEDHM N#Cc1nc(N)n(CC(=O)Nc2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC001581878463 1280634272 /nfs/dbraw/zinc/63/42/72/1280634272.db2.gz MLQZVJWHUCCSKP-UHFFFAOYSA-N -1 3 361.728 0.948 20 30 FCEDHM N#Cc1nc(N)n(CC(=O)Nc2ccc(Cl)c(F)c2)c1-c1nn[n-]n1 ZINC001581878463 1280634281 /nfs/dbraw/zinc/63/42/81/1280634281.db2.gz MLQZVJWHUCCSKP-UHFFFAOYSA-N -1 3 361.728 0.948 20 30 FCEDHM N#Cc1nc(N)n(Cc2sncc2Br)c1-c1nnn[n-]1 ZINC001581878364 1280634468 /nfs/dbraw/zinc/63/44/68/1280634468.db2.gz ICKIUJNHWMYXAO-UHFFFAOYSA-N -1 3 352.181 0.784 20 30 FCEDHM N#Cc1nc(N)n(Cc2sncc2Br)c1-c1nn[n-]n1 ZINC001581878364 1280634470 /nfs/dbraw/zinc/63/44/70/1280634470.db2.gz ICKIUJNHWMYXAO-UHFFFAOYSA-N -1 3 352.181 0.784 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581877934 1280635016 /nfs/dbraw/zinc/63/50/16/1280635016.db2.gz PQDBXRJMRVRVNY-NSHDSACASA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581877934 1280635024 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C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC[S@]1=O ZINC001590264501 1283387524 /nfs/dbraw/zinc/38/75/24/1283387524.db2.gz RTNYPGMYCNMQNP-NYVUYLSUSA-N -1 3 372.454 0.918 20 30 FCEDHM C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590277594 1283404424 /nfs/dbraw/zinc/40/44/24/1283404424.db2.gz UOCHZMKQRSYYRC-HONMWMINSA-N -1 3 353.386 0.190 20 30 FCEDHM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590282453 1283408406 /nfs/dbraw/zinc/40/84/06/1283408406.db2.gz JUQKIMRPQZOFKP-AAEUAGOBSA-N -1 3 367.413 0.433 20 30 FCEDHM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590282453 1283408413 /nfs/dbraw/zinc/40/84/13/1283408413.db2.gz JUQKIMRPQZOFKP-AAEUAGOBSA-N -1 3 367.413 0.433 20 30 FCEDHM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590283013 1283409413 /nfs/dbraw/zinc/40/94/13/1283409413.db2.gz MAVVRJVYDRSLKF-HZMBPMFUSA-N -1 3 353.386 0.185 20 30 FCEDHM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590283013 1283409421 /nfs/dbraw/zinc/40/94/21/1283409421.db2.gz MAVVRJVYDRSLKF-HZMBPMFUSA-N -1 3 353.386 0.185 20 30 FCEDHM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001590292958 1283425773 /nfs/dbraw/zinc/42/57/73/1283425773.db2.gz SKAZBABANRTSNP-GXFFZTMASA-N -1 3 358.431 0.777 20 30 FCEDHM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001590292958 1283425783 /nfs/dbraw/zinc/42/57/83/1283425783.db2.gz SKAZBABANRTSNP-GXFFZTMASA-N -1 3 358.431 0.777 20 30 FCEDHM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001590292960 1283426925 /nfs/dbraw/zinc/42/69/25/1283426925.db2.gz SKAZBABANRTSNP-ZWNOBZJWSA-N -1 3 358.431 0.777 20 30 FCEDHM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001590292960 1283426933 /nfs/dbraw/zinc/42/69/33/1283426933.db2.gz SKAZBABANRTSNP-ZWNOBZJWSA-N -1 3 358.431 0.777 20 30 FCEDHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)N1CC#N ZINC001590302557 1283439806 /nfs/dbraw/zinc/43/98/06/1283439806.db2.gz AXUAMBMSGWQJKY-CHWSQXEVSA-N -1 3 354.418 0.723 20 30 FCEDHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)N1CC#N ZINC001590302557 1283439813 /nfs/dbraw/zinc/43/98/13/1283439813.db2.gz AXUAMBMSGWQJKY-CHWSQXEVSA-N -1 3 354.418 0.723 20 30 FCEDHM C[C@@H]1CN(C(C)(C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H](C)O1 ZINC001590302242 1283440133 /nfs/dbraw/zinc/44/01/33/1283440133.db2.gz RLFMAVZCHHIKOZ-GHMZBOCLSA-N -1 3 357.422 0.828 20 30 FCEDHM C[C@@H]1CN(C(C)(C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@@H](C)O1 ZINC001590302242 1283440141 /nfs/dbraw/zinc/44/01/41/1283440141.db2.gz RLFMAVZCHHIKOZ-GHMZBOCLSA-N -1 3 357.422 0.828 20 30 FCEDHM C[C@H]1CN(C(C)(C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](C)O1 ZINC001590302244 1283441266 /nfs/dbraw/zinc/44/12/66/1283441266.db2.gz RLFMAVZCHHIKOZ-QWRGUYRKSA-N -1 3 357.422 0.828 20 30 FCEDHM C[C@H]1CN(C(C)(C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](C)O1 ZINC001590302244 1283441275 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/nfs/dbraw/zinc/37/84/88/1279378488.db2.gz MBGATMVOODCSTI-LLVKDONJSA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC2(CNC(=O)[C@H](C)C#N)CCOCC2)n1 ZINC001581097357 1279378497 /nfs/dbraw/zinc/37/84/97/1279378497.db2.gz MBGATMVOODCSTI-LLVKDONJSA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001581119938 1279418243 /nfs/dbraw/zinc/41/82/43/1279418243.db2.gz YKKCBHUGUVZNOF-YPMHNXCESA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001581119938 1279418248 /nfs/dbraw/zinc/41/82/48/1279418248.db2.gz YKKCBHUGUVZNOF-YPMHNXCESA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NCCN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001581123055 1279420284 /nfs/dbraw/zinc/42/02/84/1279420284.db2.gz IGBBQDJPTVQDJK-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NCCN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001581123055 1279420289 /nfs/dbraw/zinc/42/02/89/1279420289.db2.gz IGBBQDJPTVQDJK-UHFFFAOYSA-N 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Cn1c(C#N)ccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001581748802 1280451990 /nfs/dbraw/zinc/45/19/90/1280451990.db2.gz VFSGIPNHZTWEFW-UHFFFAOYSA-N -1 3 363.385 0.434 20 30 FCEDHM Cn1c(C#N)ccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001581748802 1280451993 /nfs/dbraw/zinc/45/19/93/1280451993.db2.gz VFSGIPNHZTWEFW-UHFFFAOYSA-N -1 3 363.385 0.434 20 30 FCEDHM Cn1ccnc1C[C@H]1CCCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)C1 ZINC001581797755 1280523332 /nfs/dbraw/zinc/52/33/32/1280523332.db2.gz NUUQZGLUMBMZLV-LLVKDONJSA-N -1 3 350.390 0.721 20 30 FCEDHM Cn1ccnc1C[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001581797755 1280523337 /nfs/dbraw/zinc/52/33/37/1280523337.db2.gz NUUQZGLUMBMZLV-LLVKDONJSA-N -1 3 350.390 0.721 20 30 FCEDHM Cn1cncc1[C@H](CO)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581814334 1280557561 /nfs/dbraw/zinc/55/75/61/1280557561.db2.gz IMDGYUXCMCZSIG-KBPBESRZSA-N -1 3 366.385 0.132 20 30 FCEDHM Cn1nccc1[C@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581837739 1280593288 /nfs/dbraw/zinc/59/32/88/1280593288.db2.gz WPMDOUNAILUGGI-UKRRQHHQSA-N -1 3 366.385 0.132 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(C(N)=O)s1 ZINC001581856714 1280608519 /nfs/dbraw/zinc/60/85/19/1280608519.db2.gz AGNFPAHQCDRVIZ-JTQLQIEISA-N -1 3 368.382 0.743 20 30 FCEDHM N#CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC001581857096 1280609079 /nfs/dbraw/zinc/60/90/79/1280609079.db2.gz PKWFNFZJDKDITI-UHFFFAOYSA-N -1 3 366.378 0.604 20 30 FCEDHM N#C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CCO1 ZINC001581857113 1280609199 /nfs/dbraw/zinc/60/91/99/1280609199.db2.gz PWRVRQYAAJLEAZ-MRVPVSSYSA-N -1 3 354.779 0.433 20 30 FCEDHM N#C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CCO1 ZINC001581857113 1280609209 /nfs/dbraw/zinc/60/92/09/1280609209.db2.gz PWRVRQYAAJLEAZ-MRVPVSSYSA-N -1 3 354.779 0.433 20 30 FCEDHM N#CCSCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001581858536 1280609910 /nfs/dbraw/zinc/60/99/10/1280609910.db2.gz KVXNUUBEBLWWFB-GFCCVEGCSA-N -1 3 358.431 0.825 20 30 FCEDHM N#CCSCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001581858536 1280609921 /nfs/dbraw/zinc/60/99/21/1280609921.db2.gz KVXNUUBEBLWWFB-GFCCVEGCSA-N -1 3 358.431 0.825 20 30 FCEDHM N#C[C@@]12CN(Cc3cccc(F)c3-c3nnn[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001581859827 1280609998 /nfs/dbraw/zinc/60/99/98/1280609998.db2.gz XOTZRQYHJUOWPF-NHYWBVRUSA-N -1 3 362.390 0.376 20 30 FCEDHM N#C[C@@]12CN(Cc3cccc(F)c3-c3nn[n-]n3)C[C@H]1CS(=O)(=O)C2 ZINC001581859827 1280610009 /nfs/dbraw/zinc/61/00/09/1280610009.db2.gz XOTZRQYHJUOWPF-NHYWBVRUSA-N -1 3 362.390 0.376 20 30 FCEDHM N#CCSCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001581858604 1280611113 /nfs/dbraw/zinc/61/11/13/1280611113.db2.gz NFKRXLKWCCKAQW-LLVKDONJSA-N -1 3 358.431 0.461 20 30 FCEDHM N#CCSCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001581858604 1280611122 /nfs/dbraw/zinc/61/11/22/1280611122.db2.gz NFKRXLKWCCKAQW-LLVKDONJSA-N -1 3 358.431 0.461 20 30 FCEDHM N#C[C@]12CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581860435 1280613452 /nfs/dbraw/zinc/61/34/52/1280613452.db2.gz ZUYWMEJIXQRTCE-XHDPSFHLSA-N -1 3 373.398 0.269 20 30 FCEDHM N#C[C@]12CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581860435 1280613465 /nfs/dbraw/zinc/61/34/65/1280613465.db2.gz ZUYWMEJIXQRTCE-XHDPSFHLSA-N -1 3 373.398 0.269 20 30 FCEDHM N#Cc1cc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001581864853 1280617655 /nfs/dbraw/zinc/61/76/55/1280617655.db2.gz RKTMWRWDDRZROP-UHFFFAOYSA-N -1 3 362.353 0.180 20 30 FCEDHM N#Cc1cc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001581864853 1280617659 /nfs/dbraw/zinc/61/76/59/1280617659.db2.gz RKTMWRWDDRZROP-UHFFFAOYSA-N -1 3 362.353 0.180 20 30 FCEDHM N#Cc1cc(C(=O)NCC2(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)c[nH]1 ZINC001581865188 1280618011 /nfs/dbraw/zinc/61/80/11/1280618011.db2.gz FEVVDFUOOXTVQI-UHFFFAOYSA-N -1 3 367.348 0.975 20 30 FCEDHM N#Cc1cc(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)c[nH]1 ZINC001581865188 1280618025 /nfs/dbraw/zinc/61/80/25/1280618025.db2.gz FEVVDFUOOXTVQI-UHFFFAOYSA-N -1 3 367.348 0.975 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001581864784 1280618251 /nfs/dbraw/zinc/61/82/51/1280618251.db2.gz OEBWGXWEEUADLE-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001581864784 1280618259 /nfs/dbraw/zinc/61/82/59/1280618259.db2.gz OEBWGXWEEUADLE-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864849 1280618685 /nfs/dbraw/zinc/61/86/85/1280618685.db2.gz RCVWVFZBEVLCSF-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864849 1280618696 /nfs/dbraw/zinc/61/86/96/1280618696.db2.gz RCVWVFZBEVLCSF-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)c[nH]1 ZINC001581865620 1280620390 /nfs/dbraw/zinc/62/03/90/1280620390.db2.gz LZYDUIQMKQWNST-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)c[nH]1 ZINC001581865620 1280620398 /nfs/dbraw/zinc/62/03/98/1280620398.db2.gz LZYDUIQMKQWNST-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c[nH]1 ZINC001581865654 1280620677 /nfs/dbraw/zinc/62/06/77/1280620677.db2.gz MYDGVHSDJHNLBE-LBPRGKRZSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c[nH]1 ZINC001581865654 1280620687 /nfs/dbraw/zinc/62/06/87/1280620687.db2.gz MYDGVHSDJHNLBE-LBPRGKRZSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)[nH]1 ZINC001581867696 1280623021 /nfs/dbraw/zinc/62/30/21/1280623021.db2.gz RRVGWHLGEIFLLQ-SNVBAGLBSA-N -1 3 370.348 0.408 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)[nH]1 ZINC001581867696 1280623024 /nfs/dbraw/zinc/62/30/24/1280623024.db2.gz RRVGWHLGEIFLLQ-SNVBAGLBSA-N -1 3 370.348 0.408 20 30 FCEDHM N#Cc1ccc(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)[nH]1 ZINC001581868387 1280625305 /nfs/dbraw/zinc/62/53/05/1280625305.db2.gz SHHOSADVDYMXCB-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1ccc(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)[nH]1 ZINC001581868387 1280625314 /nfs/dbraw/zinc/62/53/14/1280625314.db2.gz SHHOSADVDYMXCB-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]1 ZINC001581867912 1280625646 /nfs/dbraw/zinc/62/56/46/1280625646.db2.gz BFVCJCFDVZGBGW-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001581867912 1280625649 /nfs/dbraw/zinc/62/56/49/1280625649.db2.gz BFVCJCFDVZGBGW-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(CN2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001581869478 1280625983 /nfs/dbraw/zinc/62/59/83/1280625983.db2.gz AKSYVCFIDPAYCD-UHFFFAOYSA-N -1 3 354.399 0.742 20 30 FCEDHM N#Cc1ccc(CN2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001581869478 1280625987 /nfs/dbraw/zinc/62/59/87/1280625987.db2.gz AKSYVCFIDPAYCD-UHFFFAOYSA-N -1 3 354.399 0.742 20 30 FCEDHM N#Cc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001581871265 1280627075 /nfs/dbraw/zinc/62/70/75/1280627075.db2.gz NTGKIYASKIRADI-UHFFFAOYSA-N -1 3 364.373 0.209 20 30 FCEDHM N#Cc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001581871265 1280627079 /nfs/dbraw/zinc/62/70/79/1280627079.db2.gz NTGKIYASKIRADI-UHFFFAOYSA-N -1 3 364.373 0.209 20 30 FCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001581874028 1280628479 /nfs/dbraw/zinc/62/84/79/1280628479.db2.gz BABUVIZKYLBXHP-JTQLQIEISA-N -1 3 350.342 0.933 20 30 FCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001581874028 1280628484 /nfs/dbraw/zinc/62/84/84/1280628484.db2.gz BABUVIZKYLBXHP-JTQLQIEISA-N -1 3 350.342 0.933 20 30 FCEDHM N#Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001581873848 1280628609 /nfs/dbraw/zinc/62/86/09/1280628609.db2.gz SGGMCQRIYVAEAQ-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1cnc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC001581877594 1280631262 /nfs/dbraw/zinc/63/12/62/1280631262.db2.gz AHKMLMNXHJIBEK-NSHDSACASA-N -1 3 367.348 0.609 20 30 FCEDHM N#Cc1cnc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC001581877594 1280631269 /nfs/dbraw/zinc/63/12/69/1280631269.db2.gz AHKMLMNXHJIBEK-NSHDSACASA-N -1 3 367.348 0.609 20 30 FCEDHM N#Cc1cncc(N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001581877701 1280632839 /nfs/dbraw/zinc/63/28/39/1280632839.db2.gz FSSIOIWAYWJLNA-SNVBAGLBSA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1cncc(N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001581877701 1280632850 /nfs/dbraw/zinc/63/28/50/1280632850.db2.gz FSSIOIWAYWJLNA-SNVBAGLBSA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1cnc(N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001581877919 1280635067 /nfs/dbraw/zinc/63/50/67/1280635067.db2.gz PFHXTODRMDIJDP-SNVBAGLBSA-N -1 3 364.373 0.113 20 30 FCEDHM 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ZINC001581882182 1280644241 /nfs/dbraw/zinc/64/42/41/1280644241.db2.gz OJSZHIBWPFAAPI-JTQLQIEISA-N -1 3 363.389 0.908 20 30 FCEDHM N#Cc1ncc(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)nc1-c1nn[n-]n1 ZINC001581882182 1280644250 /nfs/dbraw/zinc/64/42/50/1280644250.db2.gz OJSZHIBWPFAAPI-JTQLQIEISA-N -1 3 363.389 0.908 20 30 FCEDHM N#Cc1cncc(N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001581882768 1280645304 /nfs/dbraw/zinc/64/53/04/1280645304.db2.gz FIPLLXQFLLZNRW-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cncc(N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001581882768 1280645309 /nfs/dbraw/zinc/64/53/09/1280645309.db2.gz FIPLLXQFLLZNRW-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cncc(NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC2)n1 ZINC001581883468 1280646001 /nfs/dbraw/zinc/64/60/01/1280646001.db2.gz KMBLHLCIVANQJW-UHFFFAOYSA-N -1 3 364.373 0.621 20 30 FCEDHM N#Cc1cncc(NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC2)n1 ZINC001581883468 1280646012 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Cc1ccc(C#N)c(N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001581138024 1279440544 /nfs/dbraw/zinc/44/05/44/1279440544.db2.gz NBGJNLYAONFIJK-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(C#N)c(N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001581138024 1279440546 /nfs/dbraw/zinc/44/05/46/1279440546.db2.gz NBGJNLYAONFIJK-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)ccc1-c1nnn[n-]1 ZINC001581463203 1279997691 /nfs/dbraw/zinc/99/76/91/1279997691.db2.gz CSORNHYBKPGPJR-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)ccc1-c1nn[n-]n1 ZINC001581463203 1279997696 /nfs/dbraw/zinc/99/76/96/1279997696.db2.gz CSORNHYBKPGPJR-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nsc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C#N ZINC001581672104 1280381044 /nfs/dbraw/zinc/38/10/44/1280381044.db2.gz HACZMJBWSWPDIK-SNVBAGLBSA-N -1 3 369.414 0.840 20 30 FCEDHM Cc1nsc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C#N ZINC001581672104 1280381047 /nfs/dbraw/zinc/38/10/47/1280381047.db2.gz HACZMJBWSWPDIK-SNVBAGLBSA-N -1 3 369.414 0.840 20 30 FCEDHM N#CCOc1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001581858466 1280607597 /nfs/dbraw/zinc/60/75/97/1280607597.db2.gz HFJJEPPZQGGUHA-UHFFFAOYSA-N -1 3 364.369 0.892 20 30 FCEDHM N#CCOc1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001581858466 1280607603 /nfs/dbraw/zinc/60/76/03/1280607603.db2.gz HFJJEPPZQGGUHA-UHFFFAOYSA-N -1 3 364.369 0.892 20 30 FCEDHM N#CC1(CNS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CCOCC1 ZINC001581856871 1280608334 /nfs/dbraw/zinc/60/83/34/1280608334.db2.gz HSIXOVNISCGJDH-UHFFFAOYSA-N -1 3 366.378 0.604 20 30 FCEDHM N#CC1(CNS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CCOCC1 ZINC001581856871 1280608343 /nfs/dbraw/zinc/60/83/43/1280608343.db2.gz HSIXOVNISCGJDH-UHFFFAOYSA-N -1 3 366.378 0.604 20 30 FCEDHM N#CCc1cccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001581859518 1280610147 /nfs/dbraw/zinc/61/01/47/1280610147.db2.gz KFVCCFOJVJDPGK-UHFFFAOYSA-N -1 3 355.383 0.806 20 30 FCEDHM N#CCc1cccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001581859518 1280610158 /nfs/dbraw/zinc/61/01/58/1280610158.db2.gz KFVCCFOJVJDPGK-UHFFFAOYSA-N -1 3 355.383 0.806 20 30 FCEDHM N#CCSCC(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001581858812 1280610755 /nfs/dbraw/zinc/61/07/55/1280610755.db2.gz WWOHHVLLUUEZEX-UHFFFAOYSA-N -1 3 374.430 0.172 20 30 FCEDHM N#CCSCC(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001581858812 1280610764 /nfs/dbraw/zinc/61/07/64/1280610764.db2.gz WWOHHVLLUUEZEX-UHFFFAOYSA-N -1 3 374.430 0.172 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)ccn1 ZINC001581864973 1280618938 /nfs/dbraw/zinc/61/89/38/1280618938.db2.gz YMCGGLFLNRNOOX-UHFFFAOYSA-N -1 3 361.412 0.814 20 30 FCEDHM N#Cc1cc(CN2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccc1F ZINC001581864745 1280618995 /nfs/dbraw/zinc/61/89/95/1280618995.db2.gz LUYGIUWDTRDJCG-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1cc(CN2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccc1F ZINC001581864745 1280619007 /nfs/dbraw/zinc/61/90/07/1280619007.db2.gz LUYGIUWDTRDJCG-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c[nH]1 ZINC001581864803 1280619564 /nfs/dbraw/zinc/61/95/64/1280619564.db2.gz OWECVTLYBHYEPE-NHAGDIPZSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c[nH]1 ZINC001581864803 1280619570 /nfs/dbraw/zinc/61/95/70/1280619570.db2.gz OWECVTLYBHYEPE-NHAGDIPZSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1cc(F)c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c(F)c1 ZINC001581866516 1280620515 /nfs/dbraw/zinc/62/05/15/1280620515.db2.gz HAORYIIRFGHFDK-UHFFFAOYSA-N -1 3 372.295 0.996 20 30 FCEDHM N#Cc1cc(F)c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c(F)c1 ZINC001581866516 1280620521 /nfs/dbraw/zinc/62/05/21/1280620521.db2.gz HAORYIIRFGHFDK-UHFFFAOYSA-N -1 3 372.295 0.996 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC001581865537 1280620534 /nfs/dbraw/zinc/62/05/34/1280620534.db2.gz LEJFNBMDVZMYPE-LBPRGKRZSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC001581865537 1280620540 /nfs/dbraw/zinc/62/05/40/1280620540.db2.gz LEJFNBMDVZMYPE-LBPRGKRZSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(NC(=O)CN2CCCCS2(=O)=O)ccc1-c1nnn[n-]1 ZINC001581866541 1280621430 /nfs/dbraw/zinc/62/14/30/1280621430.db2.gz IPPJMCRNAJNUGE-UHFFFAOYSA-N -1 3 361.387 0.102 20 30 FCEDHM N#Cc1cc(NC(=O)CN2CCCCS2(=O)=O)ccc1-c1nn[n-]n1 ZINC001581866541 1280621440 /nfs/dbraw/zinc/62/14/40/1280621440.db2.gz IPPJMCRNAJNUGE-UHFFFAOYSA-N -1 3 361.387 0.102 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c[nH]1 ZINC001581866140 1280621783 /nfs/dbraw/zinc/62/17/83/1280621783.db2.gz SXORSTGVCXVFJK-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c[nH]1 ZINC001581866140 1280621789 /nfs/dbraw/zinc/62/17/89/1280621789.db2.gz SXORSTGVCXVFJK-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)NCC=CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC001581867760 1280622041 /nfs/dbraw/zinc/62/20/41/1280622041.db2.gz UWCZOOHVQBQUTM-UPHRSURJSA-N -1 3 365.357 0.111 20 30 FCEDHM N#Cc1ccc(C(=O)NCC=CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC001581867760 1280622048 /nfs/dbraw/zinc/62/20/48/1280622048.db2.gz UWCZOOHVQBQUTM-UPHRSURJSA-N -1 3 365.357 0.111 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]1 ZINC001581867415 1280622950 /nfs/dbraw/zinc/62/29/50/1280622950.db2.gz HMNSPFFGSVJEEC-LLVKDONJSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001581867415 1280622953 /nfs/dbraw/zinc/62/29/53/1280622953.db2.gz HMNSPFFGSVJEEC-LLVKDONJSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]1 ZINC001581867416 1280623483 /nfs/dbraw/zinc/62/34/83/1280623483.db2.gz HMNSPFFGSVJEEC-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001581867416 1280623493 /nfs/dbraw/zinc/62/34/93/1280623493.db2.gz HMNSPFFGSVJEEC-NSHDSACASA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)[nH]1 ZINC001581867664 1280623791 /nfs/dbraw/zinc/62/37/91/1280623791.db2.gz QFUYHWNNFUSAOR-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)[nH]1 ZINC001581867664 1280623800 /nfs/dbraw/zinc/62/38/00/1280623800.db2.gz QFUYHWNNFUSAOR-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)[nH]1 ZINC001581867875 1280625589 /nfs/dbraw/zinc/62/55/89/1280625589.db2.gz ZSPRRUPTAHSJIA-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC001581867875 1280625600 /nfs/dbraw/zinc/62/56/00/1280625600.db2.gz ZSPRRUPTAHSJIA-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(NC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)nn1 ZINC001581872673 1280626626 /nfs/dbraw/zinc/62/66/26/1280626626.db2.gz HLPAFJNLUHCKOV-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(NC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)nn1 ZINC001581872673 1280626632 /nfs/dbraw/zinc/62/66/32/1280626632.db2.gz HLPAFJNLUHCKOV-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001581872495 1280626954 /nfs/dbraw/zinc/62/69/54/1280626954.db2.gz DJRIZUFQYRBNLK-NHAGDIPZSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001581872495 1280626960 /nfs/dbraw/zinc/62/69/60/1280626960.db2.gz DJRIZUFQYRBNLK-NHAGDIPZSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1ccc(N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001581871499 1280627089 /nfs/dbraw/zinc/62/70/89/1280627089.db2.gz XMVLPOKJVOAZLI-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001581871499 1280627090 /nfs/dbraw/zinc/62/70/90/1280627090.db2.gz XMVLPOKJVOAZLI-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(F)cc1CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001581871537 1280627337 /nfs/dbraw/zinc/62/73/37/1280627337.db2.gz ZBIKPMSCOYJCDK-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1ccc(F)cc1CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001581871537 1280627344 /nfs/dbraw/zinc/62/73/44/1280627344.db2.gz ZBIKPMSCOYJCDK-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC001581872090 1280627480 /nfs/dbraw/zinc/62/74/80/1280627480.db2.gz JLYKMOFHSHFMKB-UHFFFAOYSA-N -1 3 373.373 0.892 20 30 FCEDHM N#Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC001581872090 1280627488 /nfs/dbraw/zinc/62/74/88/1280627488.db2.gz JLYKMOFHSHFMKB-UHFFFAOYSA-N -1 3 373.373 0.892 20 30 FCEDHM N#Cc1ccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001581873979 1280628324 /nfs/dbraw/zinc/62/83/24/1280628324.db2.gz YSEDDWXDJHWJPO-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1ccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001581873979 1280628334 /nfs/dbraw/zinc/62/83/34/1280628334.db2.gz YSEDDWXDJHWJPO-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1ccc(NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nn1 ZINC001581873353 1280629205 /nfs/dbraw/zinc/62/92/05/1280629205.db2.gz ZFVJMNSJAUEGEJ-UHFFFAOYSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1ccc(NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001581873353 1280629214 /nfs/dbraw/zinc/62/92/14/1280629214.db2.gz ZFVJMNSJAUEGEJ-UHFFFAOYSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1cccnc1N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001581876610 1280631040 /nfs/dbraw/zinc/63/10/40/1280631040.db2.gz YHFKVXGKVJIESV-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cccnc1N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001581876610 1280631048 /nfs/dbraw/zinc/63/10/48/1280631048.db2.gz YHFKVXGKVJIESV-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cnc(N2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581877619 1280631822 /nfs/dbraw/zinc/63/18/22/1280631822.db2.gz BIPCSXIBBFWNPF-SNVBAGLBSA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1cnc(N2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581877619 1280631831 /nfs/dbraw/zinc/63/18/31/1280631831.db2.gz BIPCSXIBBFWNPF-SNVBAGLBSA-N -1 3 364.373 0.113 20 30 FCEDHM N#Cc1ccccc1CN1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001581876340 1280633370 /nfs/dbraw/zinc/63/33/70/1280633370.db2.gz MUZAGJDQRONNRS-UHFFFAOYSA-N -1 3 362.397 0.928 20 30 FCEDHM N#Cc1ccccc1CN1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001581876340 1280633377 /nfs/dbraw/zinc/63/33/77/1280633377.db2.gz MUZAGJDQRONNRS-UHFFFAOYSA-N -1 3 362.397 0.928 20 30 FCEDHM N#Cc1cnc(NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581878133 1280635477 /nfs/dbraw/zinc/63/54/77/1280635477.db2.gz WVGZOWSMIGBCMV-UHFFFAOYSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cnc(NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581878133 1280635480 /nfs/dbraw/zinc/63/54/80/1280635480.db2.gz WVGZOWSMIGBCMV-UHFFFAOYSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1nc(N)n(C[C@H](O)c2cc(Br)no2)c1-c1nnn[n-]1 ZINC001581878403 1280635919 /nfs/dbraw/zinc/63/59/19/1280635919.db2.gz KCMNZJUHPBAULD-YFKPBYRVSA-N -1 3 366.139 0.001 20 30 FCEDHM N#Cc1nc(N)n(C[C@H](O)c2cc(Br)no2)c1-c1nn[n-]n1 ZINC001581878403 1280635928 /nfs/dbraw/zinc/63/59/28/1280635928.db2.gz KCMNZJUHPBAULD-YFKPBYRVSA-N -1 3 366.139 0.001 20 30 FCEDHM N#Cc1nc(N2CC3(CN(Cc4ccccc4)C3)C2)cnc1-c1nnn[n-]1 ZINC001581878247 1280636132 /nfs/dbraw/zinc/63/61/32/1280636132.db2.gz CVDASAHFEKUJJW-UHFFFAOYSA-N -1 3 359.397 0.851 20 30 FCEDHM N#Cc1nc(N2CC3(CN(Cc4ccccc4)C3)C2)cnc1-c1nn[n-]n1 ZINC001581878247 1280636135 /nfs/dbraw/zinc/63/61/35/1280636135.db2.gz CVDASAHFEKUJJW-UHFFFAOYSA-N -1 3 359.397 0.851 20 30 FCEDHM N#Cc1nc(N2CCC[C@@H](N3CCOCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581879549 1280639054 /nfs/dbraw/zinc/63/90/54/1280639054.db2.gz PAZZNMSHJNXDLO-GFCCVEGCSA-N -1 3 355.406 0.219 20 30 FCEDHM N#Cc1nc(N2CCC[C@@H](N3CCOCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581879549 1280639065 /nfs/dbraw/zinc/63/90/65/1280639065.db2.gz PAZZNMSHJNXDLO-GFCCVEGCSA-N -1 3 355.406 0.219 20 30 FCEDHM N#Cc1ncc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1C#N ZINC001581881798 1280639584 /nfs/dbraw/zinc/63/95/84/1280639584.db2.gz AKFVLJSBWAECKX-UHFFFAOYSA-N -1 3 359.357 0.122 20 30 FCEDHM N#Cc1ncc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1C#N ZINC001581881798 1280639595 /nfs/dbraw/zinc/63/95/95/1280639595.db2.gz AKFVLJSBWAECKX-UHFFFAOYSA-N -1 3 359.357 0.122 20 30 FCEDHM N#Cc1cncc(NCC=CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001581883483 1280646533 /nfs/dbraw/zinc/64/65/33/1280646533.db2.gz LBVKSTXDCBLUFA-OWOJBTEDSA-N -1 3 350.346 0.255 20 30 FCEDHM N#Cc1cncc(NCC=CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001581883483 1280646540 /nfs/dbraw/zinc/64/65/40/1280646540.db2.gz LBVKSTXDCBLUFA-OWOJBTEDSA-N -1 3 350.346 0.255 20 30 FCEDHM N#Cc1cncc(N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001581882996 1280647582 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1278131854 /nfs/dbraw/zinc/13/18/54/1278131854.db2.gz SSTLURCRYRUGRY-NOZJJQNGSA-N -1 3 364.373 0.429 20 30 FCEDHM CN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H](CO)c1ccccc1 ZINC001298374724 1262923907 /nfs/dbraw/zinc/92/39/07/1262923907.db2.gz UIKYLYZDWGFKHJ-HNNXBMFYSA-N -1 3 373.434 0.917 20 30 FCEDHM O=C(CC1(CC(=O)N2CCOCC2)CCCC1)N[C@H]1CCCN([O-])C1=O ZINC001326800195 1265168786 /nfs/dbraw/zinc/16/87/86/1265168786.db2.gz PMUCQTYRKTWUJJ-AWEZNQCLSA-N -1 3 367.446 0.682 20 30 FCEDHM Cc1ccc(CN(CCN(C)C)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)o1 ZINC001544754838 1267591558 /nfs/dbraw/zinc/59/15/58/1267591558.db2.gz DRCBZEXPRSNEBA-UHFFFAOYSA-N -1 3 359.386 0.312 20 30 FCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN1C(=O)CNC1=O ZINC001338727284 1268064697 /nfs/dbraw/zinc/06/46/97/1268064697.db2.gz YEZQXOXQWLEGIL-UHFFFAOYSA-N -1 3 359.386 0.266 20 30 FCEDHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)c(C)o1 ZINC001556586596 1268871739 /nfs/dbraw/zinc/87/17/39/1268871739.db2.gz YLEGVCOCELIOIS-UHFFFAOYSA-N -1 3 369.399 0.415 20 30 FCEDHM N#Cc1ccc(OC2CN(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)C2)cc1 ZINC001563377753 1269385358 /nfs/dbraw/zinc/38/53/58/1269385358.db2.gz IZLJRQFWHUXQNF-UHFFFAOYSA-N -1 3 367.369 0.864 20 30 FCEDHM CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573946640 1270953521 /nfs/dbraw/zinc/95/35/21/1270953521.db2.gz HWBYUJWCQIFVSN-LBPRGKRZSA-N -1 3 357.418 0.869 20 30 FCEDHM CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573946640 1270953525 /nfs/dbraw/zinc/95/35/25/1270953525.db2.gz HWBYUJWCQIFVSN-LBPRGKRZSA-N -1 3 357.418 0.869 20 30 FCEDHM CC(C)C#CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001573946732 1270953737 /nfs/dbraw/zinc/95/37/37/1270953737.db2.gz JRACLMAPDPJERN-UHFFFAOYSA-N -1 3 357.374 0.987 20 30 FCEDHM CC(C)C#CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001573946732 1270953740 /nfs/dbraw/zinc/95/37/40/1270953740.db2.gz JRACLMAPDPJERN-UHFFFAOYSA-N -1 3 357.374 0.987 20 30 FCEDHM CC(C)C#CC(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573946718 1270954254 /nfs/dbraw/zinc/95/42/54/1270954254.db2.gz ITHHDOQVCLHMAI-CYBMUJFWSA-N -1 3 373.392 0.382 20 30 FCEDHM CC(C)C#CC(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573946718 1270954258 /nfs/dbraw/zinc/95/42/58/1270954258.db2.gz ITHHDOQVCLHMAI-CYBMUJFWSA-N -1 3 373.392 0.382 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccnc(C#N)n1 ZINC001574045030 1271028664 /nfs/dbraw/zinc/02/86/64/1271028664.db2.gz MKBOTQLEAGPDGA-LBPRGKRZSA-N -1 3 366.389 0.145 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccnc(C#N)n1 ZINC001574045030 1271028666 /nfs/dbraw/zinc/02/86/66/1271028666.db2.gz MKBOTQLEAGPDGA-LBPRGKRZSA-N -1 3 366.389 0.145 20 30 FCEDHM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1ccnc(C#N)n1 ZINC001574048047 1271031425 /nfs/dbraw/zinc/03/14/25/1271031425.db2.gz FRYBWUGZEKVARE-GFCCVEGCSA-N -1 3 366.389 0.145 20 30 FCEDHM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1ccnc(C#N)n1 ZINC001574048047 1271031427 /nfs/dbraw/zinc/03/14/27/1271031427.db2.gz FRYBWUGZEKVARE-GFCCVEGCSA-N -1 3 366.389 0.145 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccc(C#N)nn1 ZINC001574048811 1271032333 /nfs/dbraw/zinc/03/23/33/1271032333.db2.gz BPBRIBDHYDCQAY-ZDUSSCGKSA-N -1 3 366.389 0.723 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccc(C#N)nn1 ZINC001574048811 1271032335 /nfs/dbraw/zinc/03/23/35/1271032335.db2.gz BPBRIBDHYDCQAY-ZDUSSCGKSA-N -1 3 366.389 0.723 20 30 FCEDHM C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574542516 1271325182 /nfs/dbraw/zinc/32/51/82/1271325182.db2.gz FBDXFJIHFKLLLH-NXEZZACHSA-N -1 3 366.389 0.287 20 30 FCEDHM C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574542516 1271325191 /nfs/dbraw/zinc/32/51/91/1271325191.db2.gz FBDXFJIHFKLLLH-NXEZZACHSA-N -1 3 366.389 0.287 20 30 FCEDHM C[C@H](C[C@@H](C)Nc1cncc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574545278 1271330360 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/nfs/dbraw/zinc/42/54/51/1271425451.db2.gz DCAUUZHOEBRXIZ-VIFPVBQESA-N -1 3 367.373 0.333 20 30 FCEDHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574788295 1271523636 /nfs/dbraw/zinc/52/36/36/1271523636.db2.gz JEQICFWDEGTLKK-JTQLQIEISA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574788295 1271523645 /nfs/dbraw/zinc/52/36/45/1271523645.db2.gz JEQICFWDEGTLKK-JTQLQIEISA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574788296 1271524110 /nfs/dbraw/zinc/52/41/10/1271524110.db2.gz JEQICFWDEGTLKK-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574788296 1271524117 /nfs/dbraw/zinc/52/41/17/1271524117.db2.gz JEQICFWDEGTLKK-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574804404 1271542685 /nfs/dbraw/zinc/54/26/85/1271542685.db2.gz LGZKXKOYHHKDPP-VIFPVBQESA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574804404 1271542689 /nfs/dbraw/zinc/54/26/89/1271542689.db2.gz LGZKXKOYHHKDPP-VIFPVBQESA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575318263 1271918008 /nfs/dbraw/zinc/91/80/08/1271918008.db2.gz DNRONXDJJPOLFZ-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575318263 1271918016 /nfs/dbraw/zinc/91/80/16/1271918016.db2.gz DNRONXDJJPOLFZ-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001575501205 1272172648 /nfs/dbraw/zinc/17/26/48/1272172648.db2.gz DIUSPOOWKKUSCZ-DIOULYMOSA-N -1 3 358.427 0.798 20 30 FCEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001575501205 1272172653 /nfs/dbraw/zinc/17/26/53/1272172653.db2.gz DIUSPOOWKKUSCZ-DIOULYMOSA-N 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CC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccc(C#N)nn1 ZINC001576866640 1273837459 /nfs/dbraw/zinc/83/74/59/1273837459.db2.gz HCSKCTXZMXCAAH-JTQLQIEISA-N -1 3 352.362 0.477 20 30 FCEDHM CCC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCN1CCOC ZINC001577393282 1274393313 /nfs/dbraw/zinc/39/33/13/1274393313.db2.gz SFORAGZCCLQCKN-LBPRGKRZSA-N -1 3 357.422 0.465 20 30 FCEDHM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001577523354 1274469336 /nfs/dbraw/zinc/46/93/36/1274469336.db2.gz RIQXOYWFVHEAST-DGCLKSJQSA-N -1 3 370.417 0.808 20 30 FCEDHM Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001580770883 1278898620 /nfs/dbraw/zinc/89/86/20/1278898620.db2.gz PLGFVESDJNYCPR-SECBINFHSA-N -1 3 366.389 0.785 20 30 FCEDHM Cc1cc(C#N)nc(N[C@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001580770883 1278898636 /nfs/dbraw/zinc/89/86/36/1278898636.db2.gz PLGFVESDJNYCPR-SECBINFHSA-N -1 3 366.389 0.785 20 30 FCEDHM CCCn1cc(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)nn1 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FCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)nc1 ZINC001588370039 1282493609 /nfs/dbraw/zinc/49/36/09/1282493609.db2.gz JVCXAZVZNQASLJ-SJKOYZFVSA-N -1 3 374.408 0.893 20 30 FCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)nc1 ZINC001588370039 1282493614 /nfs/dbraw/zinc/49/36/14/1282493614.db2.gz JVCXAZVZNQASLJ-SJKOYZFVSA-N -1 3 374.408 0.893 20 30 FCEDHM C#Cc1cnc(N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2)nc1 ZINC001588377082 1282495915 /nfs/dbraw/zinc/49/59/15/1282495915.db2.gz OTXPQNYZJZUOTR-UHFFFAOYSA-N -1 3 353.415 0.730 20 30 FCEDHM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001588380542 1282496228 /nfs/dbraw/zinc/49/62/28/1282496228.db2.gz HCEFRQMUJJQKBZ-HNNXBMFYSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001588380542 1282496237 /nfs/dbraw/zinc/49/62/37/1282496237.db2.gz HCEFRQMUJJQKBZ-HNNXBMFYSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1cncc(C(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)c1 ZINC001588381100 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CC(=NN[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776592 1282698850 /nfs/dbraw/zinc/69/88/50/1282698850.db2.gz VAOBKLXMMMEHLV-NSHDSACASA-N -1 3 352.395 0.897 20 30 FCEDHM CC(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001588821803 1282707105 /nfs/dbraw/zinc/70/71/05/1282707105.db2.gz DMBGGEHRNNRTLH-LRDDRELGSA-N -1 3 367.413 0.628 20 30 FCEDHM CC(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001588821805 1282707562 /nfs/dbraw/zinc/70/75/62/1282707562.db2.gz DMBGGEHRNNRTLH-WBMJQRKESA-N -1 3 367.413 0.628 20 30 FCEDHM C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588930759 1282731847 /nfs/dbraw/zinc/73/18/47/1282731847.db2.gz KHJDCWATJIHUQX-SECBINFHSA-N -1 3 353.383 0.432 20 30 FCEDHM C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588930759 1282731855 /nfs/dbraw/zinc/73/18/55/1282731855.db2.gz KHJDCWATJIHUQX-SECBINFHSA-N -1 3 353.383 0.432 20 30 FCEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCn1cnc(C#N)n1 ZINC001609244102 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CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001578838080 1276357515 /nfs/dbraw/zinc/35/75/15/1276357515.db2.gz GQGNOHQUPYWGHC-UHFFFAOYSA-N -1 3 355.402 0.527 20 30 FCEDHM CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001578838080 1276357519 /nfs/dbraw/zinc/35/75/19/1276357519.db2.gz GQGNOHQUPYWGHC-UHFFFAOYSA-N -1 3 355.402 0.527 20 30 FCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001578906523 1276445590 /nfs/dbraw/zinc/44/55/90/1276445590.db2.gz WMDHTYJJFHIYRN-AWEZNQCLSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001578906523 1276445592 /nfs/dbraw/zinc/44/55/92/1276445592.db2.gz WMDHTYJJFHIYRN-AWEZNQCLSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001578908071 1276449806 /nfs/dbraw/zinc/44/98/06/1276449806.db2.gz VRFSJVWCCKIFCW-LBPRGKRZSA-N -1 3 364.373 0.207 20 30 FCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001578908071 1276449814 /nfs/dbraw/zinc/44/98/14/1276449814.db2.gz VRFSJVWCCKIFCW-LBPRGKRZSA-N -1 3 364.373 0.207 20 30 FCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(c2ncccc2C#N)C1 ZINC001578907080 1276450480 /nfs/dbraw/zinc/45/04/80/1276450480.db2.gz KEHRKIRZGFWUHP-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(c2ncccc2C#N)C1 ZINC001578907080 1276450481 /nfs/dbraw/zinc/45/04/81/1276450481.db2.gz KEHRKIRZGFWUHP-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579042134 1276632310 /nfs/dbraw/zinc/63/23/10/1276632310.db2.gz HWCCPZGILPDECC-LBPRGKRZSA-N -1 3 367.373 0.006 20 30 FCEDHM CN(C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579042134 1276632322 /nfs/dbraw/zinc/63/23/22/1276632322.db2.gz HWCCPZGILPDECC-LBPRGKRZSA-N -1 3 367.373 0.006 20 30 FCEDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C#N)n1C ZINC001579062725 1276670477 /nfs/dbraw/zinc/67/04/77/1276670477.db2.gz ISPXYUNOBOQRCJ-HNNXBMFYSA-N -1 3 351.370 0.882 20 30 FCEDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C#N)n1C ZINC001579062725 1276670485 /nfs/dbraw/zinc/67/04/85/1276670485.db2.gz ISPXYUNOBOQRCJ-HNNXBMFYSA-N -1 3 351.370 0.882 20 30 FCEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC001579063749 1276673101 /nfs/dbraw/zinc/67/31/01/1276673101.db2.gz KNPGOJPHGWFMOF-CYBMUJFWSA-N -1 3 374.382 0.685 20 30 FCEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC001579063749 1276673111 /nfs/dbraw/zinc/67/31/11/1276673111.db2.gz KNPGOJPHGWFMOF-CYBMUJFWSA-N -1 3 374.382 0.685 20 30 FCEDHM CN(CCN(C)c1ncccc1C#N)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579159082 1276905291 /nfs/dbraw/zinc/90/52/91/1276905291.db2.gz SGHLUVZSMXDLHK-UHFFFAOYSA-N -1 3 351.374 0.670 20 30 FCEDHM CN(CCN(C)c1ncccc1C#N)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579159082 1276905298 /nfs/dbraw/zinc/90/52/98/1276905298.db2.gz SGHLUVZSMXDLHK-UHFFFAOYSA-N -1 3 351.374 0.670 20 30 FCEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cncc(C#N)c1 ZINC001579232423 1277039314 /nfs/dbraw/zinc/03/93/14/1277039314.db2.gz YDEQRYCWYUXDHP-UHFFFAOYSA-N -1 3 369.410 0.997 20 30 FCEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cncc(C#N)c1 ZINC001579232423 1277039320 /nfs/dbraw/zinc/03/93/20/1277039320.db2.gz YDEQRYCWYUXDHP-UHFFFAOYSA-N -1 3 369.410 0.997 20 30 FCEDHM CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579275702 1277081058 /nfs/dbraw/zinc/08/10/58/1277081058.db2.gz FOUOZRYSCJDZKI-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(c1ccc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579275702 1277081065 /nfs/dbraw/zinc/08/10/65/1277081065.db2.gz FOUOZRYSCJDZKI-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(c1ccncc1C#N)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001579285286 1277107553 /nfs/dbraw/zinc/10/75/53/1277107553.db2.gz VFLRNQSNHPVCNT-LBPRGKRZSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(c1ccncc1C#N)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579285286 1277107555 /nfs/dbraw/zinc/10/75/55/1277107555.db2.gz VFLRNQSNHPVCNT-LBPRGKRZSA-N -1 3 363.385 0.812 20 30 FCEDHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001579472458 1277376533 /nfs/dbraw/zinc/37/65/33/1277376533.db2.gz RGYBZBRUFGCMAY-BZHVJNSISA-N -1 3 356.342 0.643 20 30 FCEDHM COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001579472458 1277376544 /nfs/dbraw/zinc/37/65/44/1277376544.db2.gz RGYBZBRUFGCMAY-BZHVJNSISA-N -1 3 356.342 0.643 20 30 FCEDHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579856201 1277937915 /nfs/dbraw/zinc/93/79/15/1277937915.db2.gz UXQKPKZFFGOSER-ZWKOPEQDSA-N -1 3 356.390 0.050 20 30 FCEDHM COc1cc(CNS(=O)(=O)c2ccc(C#N)cn2)ccc1-c1nnn[n-]1 ZINC001579928682 1277967297 /nfs/dbraw/zinc/96/72/97/1277967297.db2.gz FHGDNOJWLSPCFG-UHFFFAOYSA-N -1 3 371.382 0.620 20 30 FCEDHM COc1cc(CNS(=O)(=O)c2ccc(C#N)cn2)ccc1-c1nn[n-]n1 ZINC001579928682 1277967300 /nfs/dbraw/zinc/96/73/00/1277967300.db2.gz FHGDNOJWLSPCFG-UHFFFAOYSA-N -1 3 371.382 0.620 20 30 FCEDHM COc1cc(NC(=O)NCCn2cnc(C#N)n2)c(F)cc1-c1nnn[n-]1 ZINC001579932417 1277969025 /nfs/dbraw/zinc/96/90/25/1277969025.db2.gz HVFSOVQKNBUQDO-UHFFFAOYSA-N -1 3 372.324 0.299 20 30 FCEDHM COc1cc(NC(=O)NCCn2cnc(C#N)n2)c(F)cc1-c1nn[n-]n1 ZINC001579932417 1277969027 /nfs/dbraw/zinc/96/90/27/1277969027.db2.gz HVFSOVQKNBUQDO-UHFFFAOYSA-N -1 3 372.324 0.299 20 30 FCEDHM COc1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)c(F)cc1-c1nnn[n-]1 ZINC001579932657 1277969047 /nfs/dbraw/zinc/96/90/47/1277969047.db2.gz SPCDCBSBWAPCMP-HNNXBMFYSA-N -1 3 361.337 0.897 20 30 FCEDHM COc1cc(NC(=O)N2CC[C@@](O)(CC#N)C2)c(F)cc1-c1nn[n-]n1 ZINC001579932657 1277969051 /nfs/dbraw/zinc/96/90/51/1277969051.db2.gz SPCDCBSBWAPCMP-HNNXBMFYSA-N -1 3 361.337 0.897 20 30 FCEDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)co1 ZINC001580170179 1278025469 /nfs/dbraw/zinc/02/54/69/1278025469.db2.gz XAMBXMZYBGAQRB-UHFFFAOYSA-N -1 3 358.339 0.987 20 30 FCEDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)co1 ZINC001580170179 1278025474 /nfs/dbraw/zinc/02/54/74/1278025474.db2.gz XAMBXMZYBGAQRB-UHFFFAOYSA-N -1 3 358.339 0.987 20 30 FCEDHM CSCC[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001580226155 1278049221 /nfs/dbraw/zinc/04/92/21/1278049221.db2.gz RFNIZSAIXFKRSL-OLZOCXBDSA-N -1 3 373.442 0.272 20 30 FCEDHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580249645 1278053054 /nfs/dbraw/zinc/05/30/54/1278053054.db2.gz PSNZGYNXNNKMNJ-VIFPVBQESA-N -1 3 367.373 0.333 20 30 FCEDHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580249645 1278053057 /nfs/dbraw/zinc/05/30/57/1278053057.db2.gz PSNZGYNXNNKMNJ-VIFPVBQESA-N -1 3 367.373 0.333 20 30 FCEDHM Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001580987565 1279185900 /nfs/dbraw/zinc/18/59/00/1279185900.db2.gz CGPOVXDTXXNQLN-GHMZBOCLSA-N -1 3 365.401 0.811 20 30 FCEDHM Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001580987565 1279185907 /nfs/dbraw/zinc/18/59/07/1279185907.db2.gz CGPOVXDTXXNQLN-GHMZBOCLSA-N -1 3 365.401 0.811 20 30 FCEDHM Cc1cc(N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C#N)cn1 ZINC001580995894 1279207399 /nfs/dbraw/zinc/20/73/99/1279207399.db2.gz QQIZHFXQNAFWJO-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C#N)cn1 ZINC001580995894 1279207405 /nfs/dbraw/zinc/20/74/05/1279207405.db2.gz QQIZHFXQNAFWJO-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C#N)cn1 ZINC001581030761 1279267788 /nfs/dbraw/zinc/26/77/88/1279267788.db2.gz MLIDFWWLMQCUIZ-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C#N)cn1 ZINC001581030761 1279267800 /nfs/dbraw/zinc/26/78/00/1279267800.db2.gz MLIDFWWLMQCUIZ-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001581074478 1279328913 /nfs/dbraw/zinc/32/89/13/1279328913.db2.gz WKIGIUVIXBFCGY-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001581074478 1279328919 /nfs/dbraw/zinc/32/89/19/1279328919.db2.gz WKIGIUVIXBFCGY-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001581081092 1279340465 /nfs/dbraw/zinc/34/04/65/1279340465.db2.gz DJOUQRSNVOOKSB-CMPLNLGQSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001581081092 1279340470 /nfs/dbraw/zinc/34/04/70/1279340470.db2.gz DJOUQRSNVOOKSB-CMPLNLGQSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001581119285 1279418815 /nfs/dbraw/zinc/41/88/15/1279418815.db2.gz OIENBXKIOFQJPX-JQWIXIFHSA-N -1 3 356.390 0.369 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001581119285 1279418820 /nfs/dbraw/zinc/41/88/20/1279418820.db2.gz OIENBXKIOFQJPX-JQWIXIFHSA-N -1 3 356.390 0.369 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NCCN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001581123102 1279420854 /nfs/dbraw/zinc/42/08/54/1279420854.db2.gz KQVGJQLQCOXDBZ-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NCCN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001581123102 1279420864 /nfs/dbraw/zinc/42/08/64/1279420864.db2.gz KQVGJQLQCOXDBZ-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001581138086 1279439759 /nfs/dbraw/zinc/43/97/59/1279439759.db2.gz POCZEXCNUOIGGS-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001581138086 1279439766 /nfs/dbraw/zinc/43/97/66/1279439766.db2.gz POCZEXCNUOIGGS-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM CC(C)COC[C@H](O)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603299778 1287350171 /nfs/dbraw/zinc/35/01/71/1287350171.db2.gz WDOGFBRCHOGJRL-JKSUJKDBSA-N -1 3 372.429 0.699 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)ccc1-c1nnn[n-]1 ZINC001581463345 1279997074 /nfs/dbraw/zinc/99/70/74/1279997074.db2.gz JQNINDPAWDMBDJ-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)ccc1-c1nn[n-]n1 ZINC001581463345 1279997078 /nfs/dbraw/zinc/99/70/78/1279997078.db2.gz JQNINDPAWDMBDJ-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1C#N ZINC001581463188 1279998141 /nfs/dbraw/zinc/99/81/41/1279998141.db2.gz BXQARGIHCLDHIN-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1C#N ZINC001581463188 1279998146 /nfs/dbraw/zinc/99/81/46/1279998146.db2.gz BXQARGIHCLDHIN-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nnn[n-]1 ZINC001581472721 1280011154 /nfs/dbraw/zinc/01/11/54/1280011154.db2.gz GINGOAVLIABYCQ-GFCCVEGCSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nn[n-]n1 ZINC001581472721 1280011163 /nfs/dbraw/zinc/01/11/63/1280011163.db2.gz GINGOAVLIABYCQ-GFCCVEGCSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1nc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001581483148 1280024613 /nfs/dbraw/zinc/02/46/13/1280024613.db2.gz MLOGMJYGCPIBSQ-SCDSUCTJSA-N -1 3 352.402 0.767 20 30 FCEDHM C[C@H](CC[S@@](C)=O)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603499639 1287393628 /nfs/dbraw/zinc/39/36/28/1287393628.db2.gz UFFLHDKOATWFHL-DDGBTSPSSA-N -1 3 360.443 0.822 20 30 FCEDHM Cc1nsc(N(C)CCNC(=O)c2ccc(C#N)[nH]2)c1-c1nnn[n-]1 ZINC001581663874 1280373131 /nfs/dbraw/zinc/37/31/31/1280373131.db2.gz FEBWLLJLZYOKSM-UHFFFAOYSA-N -1 3 357.403 0.698 20 30 FCEDHM N#C[C@]1(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)CCCOC1 ZINC001581857181 1280607350 /nfs/dbraw/zinc/60/73/50/1280607350.db2.gz RYLWULXHJSQEFV-OAHLLOKOSA-N -1 3 359.415 0.715 20 30 FCEDHM N#C[C@]1(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)CCCOC1 ZINC001581857181 1280607356 /nfs/dbraw/zinc/60/73/56/1280607356.db2.gz RYLWULXHJSQEFV-OAHLLOKOSA-N -1 3 359.415 0.715 20 30 FCEDHM N#C[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)CCN1C1CC1 ZINC001581856718 1280608264 /nfs/dbraw/zinc/60/82/64/1280608264.db2.gz ALQWMFMQHICZCN-LLVKDONJSA-N -1 3 358.431 0.810 20 30 FCEDHM N#CCC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CC1 ZINC001581856774 1280608890 /nfs/dbraw/zinc/60/88/90/1280608890.db2.gz CTOLEHLFEZNDIK-UHFFFAOYSA-N -1 3 364.369 0.546 20 30 FCEDHM N#CCC(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001581856774 1280608897 /nfs/dbraw/zinc/60/88/97/1280608897.db2.gz CTOLEHLFEZNDIK-UHFFFAOYSA-N -1 3 364.369 0.546 20 30 FCEDHM N#CCSCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001581858537 1280611803 /nfs/dbraw/zinc/61/18/03/1280611803.db2.gz KVXNUUBEBLWWFB-LBPRGKRZSA-N -1 3 358.431 0.825 20 30 FCEDHM N#CCSCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001581858537 1280611813 /nfs/dbraw/zinc/61/18/13/1280611813.db2.gz 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ZINC001602854221 1287138338 /nfs/dbraw/zinc/13/83/38/1287138338.db2.gz YTOSIUIAPMCMPF-HNNXBMFYSA-N -1 3 372.429 0.923 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H](CC)COC ZINC001602854221 1287138363 /nfs/dbraw/zinc/13/83/63/1287138363.db2.gz YTOSIUIAPMCMPF-HNNXBMFYSA-N -1 3 372.429 0.923 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnn(C)c1 ZINC001602859703 1287138715 /nfs/dbraw/zinc/13/87/15/1287138715.db2.gz GKGHNPPKOXTZHU-UHFFFAOYSA-N -1 3 359.415 0.977 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnn(C)c1 ZINC001602859703 1287138722 /nfs/dbraw/zinc/13/87/22/1287138722.db2.gz GKGHNPPKOXTZHU-UHFFFAOYSA-N -1 3 359.415 0.977 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602866918 1287139756 /nfs/dbraw/zinc/13/97/56/1287139756.db2.gz PPWXFWBDLBUWNO-GHMZBOCLSA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602866918 1287139761 /nfs/dbraw/zinc/13/97/61/1287139761.db2.gz PPWXFWBDLBUWNO-GHMZBOCLSA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602866919 1287140725 /nfs/dbraw/zinc/14/07/25/1287140725.db2.gz PPWXFWBDLBUWNO-MNOVXSKESA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602866919 1287140729 /nfs/dbraw/zinc/14/07/29/1287140729.db2.gz PPWXFWBDLBUWNO-MNOVXSKESA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCOCC(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602867908 1287141996 /nfs/dbraw/zinc/14/19/96/1287141996.db2.gz CHQNOIXEISQZDV-OAHLLOKOSA-N -1 3 363.447 0.919 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001602868007 1287142053 /nfs/dbraw/zinc/14/20/53/1287142053.db2.gz HDSRLLSYUZBURD-CYBMUJFWSA-N -1 3 357.418 0.795 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001602868007 1287142056 /nfs/dbraw/zinc/14/20/56/1287142056.db2.gz HDSRLLSYUZBURD-CYBMUJFWSA-N -1 3 357.418 0.795 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001602868221 1287142386 /nfs/dbraw/zinc/14/23/86/1287142386.db2.gz JNDAGVTVVFKBDJ-CFVMTHIKSA-N -1 3 369.429 0.938 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001602868221 1287142393 /nfs/dbraw/zinc/14/23/93/1287142393.db2.gz JNDAGVTVVFKBDJ-CFVMTHIKSA-N -1 3 369.429 0.938 20 30 FCEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602869069 1287144133 /nfs/dbraw/zinc/14/41/33/1287144133.db2.gz ADZDIQGLIFRZMJ-UHFFFAOYSA-N -1 3 351.388 0.206 20 30 FCEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602869069 1287144136 /nfs/dbraw/zinc/14/41/36/1287144136.db2.gz ADZDIQGLIFRZMJ-UHFFFAOYSA-N -1 3 351.388 0.206 20 30 FCEDHM C=CCOCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001602868938 1287144510 /nfs/dbraw/zinc/14/45/10/1287144510.db2.gz YUHWSLVICMKKGR-ZDUSSCGKSA-N -1 3 357.418 0.797 20 30 FCEDHM C=CCOCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001602868938 1287144516 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369.433 0.999 20 30 FCEDHM C=CCn1c(-c2cc(-c3nn[n-]n3)cn2C)nnc1N(C[C@H](C)O)C1CC1 ZINC001602876200 1287145759 /nfs/dbraw/zinc/14/57/59/1287145759.db2.gz SIHVGTWZPULKKZ-NSHDSACASA-N -1 3 369.433 0.999 20 30 FCEDHM C=CCn1cc(CNC(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)nn1 ZINC001602882556 1287146950 /nfs/dbraw/zinc/14/69/50/1287146950.db2.gz MUWQBTWOHICFMS-UHFFFAOYSA-N -1 3 355.362 0.975 20 30 FCEDHM C=CCn1cc(CNC(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)nn1 ZINC001602882556 1287146955 /nfs/dbraw/zinc/14/69/55/1287146955.db2.gz MUWQBTWOHICFMS-UHFFFAOYSA-N -1 3 355.362 0.975 20 30 FCEDHM CC#CCCCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602892021 1287149177 /nfs/dbraw/zinc/14/91/77/1287149177.db2.gz OLPAZDJBEICLRD-LBPRGKRZSA-N -1 3 355.402 0.719 20 30 FCEDHM CC#CCCCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602892021 1287149180 /nfs/dbraw/zinc/14/91/80/1287149180.db2.gz OLPAZDJBEICLRD-LBPRGKRZSA-N -1 3 355.402 0.719 20 30 FCEDHM CC#CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602894289 1287151487 /nfs/dbraw/zinc/15/14/87/1287151487.db2.gz UQTYGVYNQFNLBE-LLVKDONJSA-N -1 3 363.399 0.490 20 30 FCEDHM CC#CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602894289 1287151489 /nfs/dbraw/zinc/15/14/89/1287151489.db2.gz UQTYGVYNQFNLBE-LLVKDONJSA-N -1 3 363.399 0.490 20 30 FCEDHM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccccc1-c1nnn[n-]1 ZINC001602908152 1287154670 /nfs/dbraw/zinc/15/46/70/1287154670.db2.gz NFFAVYBKZKTCDG-UHFFFAOYSA-N -1 3 358.387 0.745 20 30 FCEDHM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccccc1-c1nn[n-]n1 ZINC001602908152 1287154672 /nfs/dbraw/zinc/15/46/72/1287154672.db2.gz NFFAVYBKZKTCDG-UHFFFAOYSA-N -1 3 358.387 0.745 20 30 FCEDHM C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602984526 1287174102 /nfs/dbraw/zinc/17/41/02/1287174102.db2.gz XPGVVDKQJITKRM-YGRLFVJLSA-N -1 3 361.431 0.260 20 30 FCEDHM C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602984526 1287174108 /nfs/dbraw/zinc/17/41/08/1287174108.db2.gz 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ZINC001575017733 951009681 /nfs/dbraw/zinc/00/96/81/951009681.db2.gz JQLMRIPEENYGHX-SECBINFHSA-N -1 3 369.364 0.855 20 30 FCEDHM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575019102 951035062 /nfs/dbraw/zinc/03/50/62/951035062.db2.gz RZCSJNGTTVNVQH-QMMMGPOBSA-N -1 3 355.337 0.831 20 30 FCEDHM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575019102 951035076 /nfs/dbraw/zinc/03/50/76/951035076.db2.gz RZCSJNGTTVNVQH-QMMMGPOBSA-N -1 3 355.337 0.831 20 30 FCEDHM N#Cc1nc(NC2CCN(Cc3cccnc3)CC2)cnc1-c1nnn[n-]1 ZINC001571004902 951163088 /nfs/dbraw/zinc/16/30/88/951163088.db2.gz TUECSOVYYZFXRJ-UHFFFAOYSA-N -1 3 362.401 1.000 20 30 FCEDHM N#Cc1nc(NC2CCN(Cc3cccnc3)CC2)cnc1-c1nn[n-]n1 ZINC001571004902 951163093 /nfs/dbraw/zinc/16/30/93/951163093.db2.gz TUECSOVYYZFXRJ-UHFFFAOYSA-N -1 3 362.401 1.000 20 30 FCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1c1ccncc1C#N ZINC001571006448 951178909 /nfs/dbraw/zinc/17/89/09/951178909.db2.gz 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356.791 0.432 20 30 FCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000178115022 209042897 /nfs/dbraw/zinc/04/28/97/209042897.db2.gz PQKPWWDGVQKXKA-MRXNPFEDSA-N -1 3 372.469 0.977 20 30 FCEDHM C[C@@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)n1cnc(C#N)n1 ZINC000409461384 230019548 /nfs/dbraw/zinc/01/95/48/230019548.db2.gz QLHRHNVNOXJPHR-XXFAHNHDSA-N -1 3 353.342 0.404 20 30 FCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCS(N)(=O)=O)c(Cl)c1 ZINC000314807871 488896676 /nfs/dbraw/zinc/89/66/76/488896676.db2.gz UHHJMGGXWIUGDK-UHFFFAOYSA-N -1 3 351.837 0.559 20 30 FCEDHM C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000287748391 488901382 /nfs/dbraw/zinc/90/13/82/488901382.db2.gz DXEWUGSNLICUCS-LIRRHRJNSA-N -1 3 368.393 0.586 20 30 FCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(=O)NCC(F)(F)F ZINC000047179550 488016829 /nfs/dbraw/zinc/01/68/29/488016829.db2.gz ULVQVMDXOZDOFY-UHFFFAOYSA-N -1 3 358.320 0.591 20 30 FCEDHM O=C(N=C1[N-]C(=O)CN1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 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ZINC001602729360 1287097472 /nfs/dbraw/zinc/09/74/72/1287097472.db2.gz POPAOUVWBJRFKQ-UONOGXRCSA-N -1 3 369.429 0.998 20 30 FCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3nnn[n-]3)ccn2)c1 ZINC001602741737 1287100709 /nfs/dbraw/zinc/10/07/09/1287100709.db2.gz XRKFKUZUKOOQRB-UHFFFAOYSA-N -1 3 361.365 0.954 20 30 FCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3nn[n-]n3)ccn2)c1 ZINC001602741737 1287100713 /nfs/dbraw/zinc/10/07/13/1287100713.db2.gz XRKFKUZUKOOQRB-UHFFFAOYSA-N -1 3 361.365 0.954 20 30 FCEDHM C=C(C)CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602758178 1287104668 /nfs/dbraw/zinc/10/46/68/1287104668.db2.gz CUGNSSGKKVVEBW-UHFFFAOYSA-N -1 3 350.404 0.180 20 30 FCEDHM C=C(C)CN(C)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602758178 1287104673 /nfs/dbraw/zinc/10/46/73/1287104673.db2.gz CUGNSSGKKVVEBW-UHFFFAOYSA-N -1 3 350.404 0.180 20 30 FCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001602759441 1287105837 /nfs/dbraw/zinc/10/58/37/1287105837.db2.gz HKYHJGTZDGUHLE-GOSISDBHSA-N -1 3 371.445 0.984 20 30 FCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001602759441 1287105842 /nfs/dbraw/zinc/10/58/42/1287105842.db2.gz HKYHJGTZDGUHLE-GOSISDBHSA-N -1 3 371.445 0.984 20 30 FCEDHM C=C(C)CNC(=O)C(=O)Nc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001602762607 1287107673 /nfs/dbraw/zinc/10/76/73/1287107673.db2.gz ALOYATMLOAGOJH-UHFFFAOYSA-N -1 3 367.373 0.387 20 30 FCEDHM C=C(C)CNC(=O)C(=O)Nc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001602762607 1287107675 /nfs/dbraw/zinc/10/76/75/1287107675.db2.gz ALOYATMLOAGOJH-UHFFFAOYSA-N -1 3 367.373 0.387 20 30 FCEDHM C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001602780941 1287113491 /nfs/dbraw/zinc/11/34/91/1287113491.db2.gz TYCHRWODYDQBSH-GXFFZTMASA-N -1 3 357.418 0.984 20 30 FCEDHM C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001602780941 1287113499 /nfs/dbraw/zinc/11/34/99/1287113499.db2.gz TYCHRWODYDQBSH-GXFFZTMASA-N -1 3 357.418 0.984 20 30 FCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001602780915 1287113506 /nfs/dbraw/zinc/11/35/06/1287113506.db2.gz SMBZSGCTGWDTAT-GFCCVEGCSA-N -1 3 359.434 0.729 20 30 FCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001602780915 1287113508 /nfs/dbraw/zinc/11/35/08/1287113508.db2.gz SMBZSGCTGWDTAT-GFCCVEGCSA-N -1 3 359.434 0.729 20 30 FCEDHM C=C(CCN(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001602787632 1287115241 /nfs/dbraw/zinc/11/52/41/1287115241.db2.gz NZIZGFWPKLHVNM-MFOWVQHXSA-N -1 3 358.460 0.421 20 30 FCEDHM C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001602815747 1287122855 /nfs/dbraw/zinc/12/28/55/1287122855.db2.gz AVMRTOKOUQURRA-LBPRGKRZSA-N -1 3 374.401 0.646 20 30 FCEDHM C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001602815747 1287122858 /nfs/dbraw/zinc/12/28/58/1287122858.db2.gz AVMRTOKOUQURRA-LBPRGKRZSA-N -1 3 374.401 0.646 20 30 FCEDHM C=CCC1(O)CCN(C(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602818141 1287124083 /nfs/dbraw/zinc/12/40/83/1287124083.db2.gz DGEAURGYQKUZPQ-UHFFFAOYSA-N -1 3 370.413 0.413 20 30 FCEDHM C=CCC1(O)CCN(C(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602818141 1287124088 /nfs/dbraw/zinc/12/40/88/1287124088.db2.gz DGEAURGYQKUZPQ-UHFFFAOYSA-N -1 3 370.413 0.413 20 30 FCEDHM C=CC[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001602823113 1287124165 /nfs/dbraw/zinc/12/41/65/1287124165.db2.gz JPBBSBASMJHCHG-LBPRGKRZSA-N -1 3 370.417 0.214 20 30 FCEDHM C=CC[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001602823113 1287124172 /nfs/dbraw/zinc/12/41/72/1287124172.db2.gz JPBBSBASMJHCHG-LBPRGKRZSA-N -1 3 370.417 0.214 20 30 FCEDHM C=CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)OCC ZINC001602816320 1287124382 /nfs/dbraw/zinc/12/43/82/1287124382.db2.gz MNCZVLFYOBJJBA-NSHDSACASA-N -1 3 369.378 0.792 20 30 FCEDHM C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602824092 1287127285 /nfs/dbraw/zinc/12/72/85/1287127285.db2.gz IVVWVRWXMCQVAW-LLVKDONJSA-N -1 3 359.390 0.118 20 30 FCEDHM C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602824092 1287127290 /nfs/dbraw/zinc/12/72/90/1287127290.db2.gz IVVWVRWXMCQVAW-LLVKDONJSA-N -1 3 359.390 0.118 20 30 FCEDHM C=CCCC(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602827550 1287127386 /nfs/dbraw/zinc/12/73/86/1287127386.db2.gz ZSCCHPADDLRIOZ-OAHLLOKOSA-N -1 3 363.447 0.655 20 30 FCEDHM C=CCCO[C@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001602840621 1287130529 /nfs/dbraw/zinc/13/05/29/1287130529.db2.gz AGQJPZFKNRNIFN-LLVKDONJSA-N -1 3 373.417 0.555 20 30 FCEDHM C=CCCO[C@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001602840621 1287130533 /nfs/dbraw/zinc/13/05/33/1287130533.db2.gz AGQJPZFKNRNIFN-LLVKDONJSA-N -1 3 373.417 0.555 20 30 FCEDHM C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001602844564 1287133752 /nfs/dbraw/zinc/13/37/52/1287133752.db2.gz PXNDTWZOLMBAEG-STQMWFEESA-N -1 3 355.402 0.644 20 30 FCEDHM C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001602844564 1287133756 /nfs/dbraw/zinc/13/37/56/1287133756.db2.gz PXNDTWZOLMBAEG-STQMWFEESA-N -1 3 355.402 0.644 20 30 FCEDHM C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001602845233 1287134278 /nfs/dbraw/zinc/13/42/78/1287134278.db2.gz YQTLKNYIZOEOBE-SMDDNHRTSA-N -1 3 373.417 0.364 20 30 FCEDHM C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001602845233 1287134288 /nfs/dbraw/zinc/13/42/88/1287134288.db2.gz YQTLKNYIZOEOBE-SMDDNHRTSA-N -1 3 373.417 0.364 20 30 FCEDHM C=CCCn1cc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001602846287 1287134592 /nfs/dbraw/zinc/13/45/92/1287134592.db2.gz HLAJSTQRQUGQEZ-UHFFFAOYSA-N -1 3 354.374 0.843 20 30 FCEDHM C=CCCn1cc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)nn1 ZINC001602846138 1287134776 /nfs/dbraw/zinc/13/47/76/1287134776.db2.gz BVOZEKGRBDYUAW-UHFFFAOYSA-N -1 3 354.374 0.973 20 30 FCEDHM C=CCCn1cc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)nn1 ZINC001602846138 1287134781 /nfs/dbraw/zinc/13/47/81/1287134781.db2.gz BVOZEKGRBDYUAW-UHFFFAOYSA-N -1 3 354.374 0.973 20 30 FCEDHM C=CCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001602846957 1287136736 /nfs/dbraw/zinc/13/67/36/1287136736.db2.gz CVNSFRZFWQVOMZ-CYBMUJFWSA-N -1 3 369.385 0.716 20 30 FCEDHM C=CCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001602846957 1287136738 /nfs/dbraw/zinc/13/67/38/1287136738.db2.gz CVNSFRZFWQVOMZ-CYBMUJFWSA-N -1 3 369.385 0.716 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN(C)S(C)(=O)=O ZINC001602854083 1287137983 /nfs/dbraw/zinc/13/79/83/1287137983.db2.gz SZJWWSUOPGEQGU-UHFFFAOYSA-N -1 3 364.431 0.273 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN(C)S(C)(=O)=O ZINC001602854083 1287137986 /nfs/dbraw/zinc/13/79/86/1287137986.db2.gz SZJWWSUOPGEQGU-UHFFFAOYSA-N -1 3 364.431 0.273 20 30 FCEDHM C=CCO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602866961 1287140938 /nfs/dbraw/zinc/14/09/38/1287140938.db2.gz QSVSZZUTWJHVKI-HNNXBMFYSA-N -1 3 370.413 0.629 20 30 FCEDHM C=CCO[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602866961 1287140941 /nfs/dbraw/zinc/14/09/41/1287140941.db2.gz QSVSZZUTWJHVKI-HNNXBMFYSA-N -1 3 370.413 0.629 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2 ZINC001602868127 1287142358 /nfs/dbraw/zinc/14/23/58/1287142358.db2.gz HZTOSRHREBFLBE-MJBXVCDLSA-N -1 3 369.429 0.938 20 30 FCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2 ZINC001602868127 1287142362 /nfs/dbraw/zinc/14/23/62/1287142362.db2.gz HZTOSRHREBFLBE-MJBXVCDLSA-N -1 3 369.429 0.938 20 30 FCEDHM C=CCOCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001602867973 1287142648 /nfs/dbraw/zinc/14/26/48/1287142648.db2.gz FZRCXVYALYZNFO-CYBMUJFWSA-N -1 3 373.417 0.094 20 30 FCEDHM C=CCOCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001602867973 1287142653 /nfs/dbraw/zinc/14/26/53/1287142653.db2.gz FZRCXVYALYZNFO-CYBMUJFWSA-N -1 3 373.417 0.094 20 30 FCEDHM C=CCn1c([C@H](O)COC)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602878795 1287145875 /nfs/dbraw/zinc/14/58/75/1287145875.db2.gz HASSHNLMONURQA-CQSZACIVSA-N -1 3 368.401 0.844 20 30 FCEDHM C=CCn1c([C@H](O)COC)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602878795 1287145879 /nfs/dbraw/zinc/14/58/79/1287145879.db2.gz HASSHNLMONURQA-CQSZACIVSA-N -1 3 368.401 0.844 20 30 FCEDHM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001602981170 1287171840 /nfs/dbraw/zinc/17/18/40/1287171840.db2.gz ADJAPRSTCKCQBU-NDGTYSDOSA-N -1 3 352.402 0.706 20 30 FCEDHM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001602981170 1287171843 /nfs/dbraw/zinc/17/18/43/1287171843.db2.gz ADJAPRSTCKCQBU-NDGTYSDOSA-N -1 3 352.402 0.706 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001602982167 1287172512 /nfs/dbraw/zinc/17/25/12/1287172512.db2.gz PPOWFKROYKCXIN-PWSUYJOCSA-N -1 3 356.390 0.417 20 30 FCEDHM 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FCEDHM COC(=O)c1cc(C#N)c(=O)n(CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001579477350 1277383975 /nfs/dbraw/zinc/38/39/75/1277383975.db2.gz MHJUJANFBFYYRG-UHFFFAOYSA-N -1 3 350.338 0.929 20 30 FCEDHM CC(C)C#CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001603190324 1287326496 /nfs/dbraw/zinc/32/64/96/1287326496.db2.gz XWVJFSXVAVUKBJ-QGZVFWFLSA-N -1 3 355.402 0.575 20 30 FCEDHM CC(C)C#CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001603190324 1287326500 /nfs/dbraw/zinc/32/65/00/1287326500.db2.gz XWVJFSXVAVUKBJ-QGZVFWFLSA-N -1 3 355.402 0.575 20 30 FCEDHM Cc1cc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)n(CCC#N)n1 ZINC001580980192 1279178911 /nfs/dbraw/zinc/17/89/11/1279178911.db2.gz NSUKJMCVMGCOFW-UHFFFAOYSA-N -1 3 352.362 0.731 20 30 FCEDHM Cc1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)n(CCC#N)n1 ZINC001580980192 1279178916 /nfs/dbraw/zinc/17/89/16/1279178916.db2.gz NSUKJMCVMGCOFW-UHFFFAOYSA-N -1 3 352.362 0.731 20 30 FCEDHM Cc1cc(N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C#N)cn1 ZINC001581008163 1279230941 /nfs/dbraw/zinc/23/09/41/1279230941.db2.gz WZEMYFDLKKLSDP-CYBMUJFWSA-N -1 3 363.385 0.518 20 30 FCEDHM Cc1cc(N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C#N)cn1 ZINC001581008163 1279230946 /nfs/dbraw/zinc/23/09/46/1279230946.db2.gz WZEMYFDLKKLSDP-CYBMUJFWSA-N -1 3 363.385 0.518 20 30 FCEDHM Cc1ccc(C#N)c(N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001581138296 1279439478 /nfs/dbraw/zinc/43/94/78/1279439478.db2.gz UGWCQWLJBJXZPJ-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(C#N)c(N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001581138296 1279439482 /nfs/dbraw/zinc/43/94/82/1279439482.db2.gz UGWCQWLJBJXZPJ-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)NCc1ccnc(C#N)c1 ZINC001581219950 1279513373 /nfs/dbraw/zinc/51/33/73/1279513373.db2.gz VNTAQLHVWZCENS-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)NCc1ccnc(C#N)c1 ZINC001581219950 1279513376 /nfs/dbraw/zinc/51/33/76/1279513376.db2.gz VNTAQLHVWZCENS-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c1C#N ZINC001581248399 1279525358 /nfs/dbraw/zinc/52/53/58/1279525358.db2.gz WKUBVYOFBWBSSK-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c1C#N ZINC001581248399 1279525365 /nfs/dbraw/zinc/52/53/65/1279525365.db2.gz WKUBVYOFBWBSSK-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001603476267 1287385115 /nfs/dbraw/zinc/38/51/15/1287385115.db2.gz DBKXUHNBNGSEJO-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001603476267 1287385120 /nfs/dbraw/zinc/38/51/20/1287385120.db2.gz DBKXUHNBNGSEJO-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM Cc1nc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001581481506 1280021379 /nfs/dbraw/zinc/02/13/79/1280021379.db2.gz UCQCBLFHKATSAI-DMDPSCGWSA-N -1 3 354.418 0.918 20 30 FCEDHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)ccc1-c1nn[n-]n1 ZINC001581485756 1280026966 /nfs/dbraw/zinc/02/69/66/1280026966.db2.gz XJIJBZOYUOMTMN-RCCPXBDUSA-N -1 3 352.402 0.956 20 30 FCEDHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)ccc1-c1nn[n-]n1 ZINC001581485754 1280028335 /nfs/dbraw/zinc/02/83/35/1280028335.db2.gz XJIJBZOYUOMTMN-HYKPAMGXSA-N -1 3 352.402 0.956 20 30 FCEDHM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1C#N ZINC001581672304 1280381572 /nfs/dbraw/zinc/38/15/72/1280381572.db2.gz JSFUQSBQIWNSCW-SECBINFHSA-N -1 3 369.414 0.840 20 30 FCEDHM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1C#N ZINC001581672304 1280381581 /nfs/dbraw/zinc/38/15/81/1280381581.db2.gz JSFUQSBQIWNSCW-SECBINFHSA-N -1 3 369.414 0.840 20 30 FCEDHM Cn1ccnc1C[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001581798033 1280522239 /nfs/dbraw/zinc/52/22/39/1280522239.db2.gz XFROOOYDQPONJF-NSHDSACASA-N -1 3 350.390 0.721 20 30 FCEDHM 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FCEDHM N#CCc1ccccc1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001581859274 1280611722 /nfs/dbraw/zinc/61/17/22/1280611722.db2.gz DRQKIBFYYPCMJA-UHFFFAOYSA-N -1 3 355.383 0.806 20 30 FCEDHM N#Cc1c(NC(=O)c2cc(-c3nnn[n-]3)cs2)[nH]nc1N1CCOCC1 ZINC001581861059 1280612455 /nfs/dbraw/zinc/61/24/55/1280612455.db2.gz HNMIHBYAGSNVRV-UHFFFAOYSA-N -1 3 371.386 0.612 20 30 FCEDHM N#Cc1c(NC(=O)c2cc(-c3nn[n-]n3)cs2)[nH]nc1N1CCOCC1 ZINC001581861059 1280612463 /nfs/dbraw/zinc/61/24/63/1280612463.db2.gz HNMIHBYAGSNVRV-UHFFFAOYSA-N -1 3 371.386 0.612 20 30 FCEDHM N#Cc1cc(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001581865762 1280620420 /nfs/dbraw/zinc/62/04/20/1280620420.db2.gz OBKDATYJMRGKQE-UHFFFAOYSA-N -1 3 368.426 0.990 20 30 FCEDHM N#Cc1ccc(NCC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001581872710 1280626540 /nfs/dbraw/zinc/62/65/40/1280626540.db2.gz INQFTIUIOOIYIO-UHFFFAOYSA-N -1 3 364.373 0.169 20 30 FCEDHM N#Cc1ccc(NCC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001581872710 1280626549 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C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001588522509 1282556319 /nfs/dbraw/zinc/55/63/19/1282556319.db2.gz ASGQIJKAFPCUTH-BNOWGMLFSA-N -1 3 357.418 0.530 20 30 FCEDHM C=C[C@H](COC)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001588526401 1282558359 /nfs/dbraw/zinc/55/83/59/1282558359.db2.gz VWARXDOTLCYENV-CYBMUJFWSA-N -1 3 358.406 0.294 20 30 FCEDHM C=C[C@H](COC)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001588526401 1282558366 /nfs/dbraw/zinc/55/83/66/1282558366.db2.gz VWARXDOTLCYENV-CYBMUJFWSA-N -1 3 358.406 0.294 20 30 FCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588526200 1282559020 /nfs/dbraw/zinc/55/90/20/1282559020.db2.gz RQTUMXIUMHSQGU-LBPRGKRZSA-N -1 3 374.401 0.910 20 30 FCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588526200 1282559028 /nfs/dbraw/zinc/55/90/28/1282559028.db2.gz RQTUMXIUMHSQGU-LBPRGKRZSA-N -1 3 374.401 0.910 20 30 FCEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 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C=CCCC(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001588572648 1282568686 /nfs/dbraw/zinc/56/86/86/1282568686.db2.gz NCFBMUGPYQGCSS-ZDUSSCGKSA-N -1 3 357.418 0.858 20 30 FCEDHM C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001588570905 1282568976 /nfs/dbraw/zinc/56/89/76/1282568976.db2.gz DVLFLHDPOMWMFE-BXUZGUMPSA-N -1 3 355.402 0.834 20 30 FCEDHM C=CCCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001588570905 1282568985 /nfs/dbraw/zinc/56/89/85/1282568985.db2.gz DVLFLHDPOMWMFE-BXUZGUMPSA-N -1 3 355.402 0.834 20 30 FCEDHM C=CCC[C@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001588579434 1282571982 /nfs/dbraw/zinc/57/19/82/1282571982.db2.gz MNESZFGVQQSFRD-LLVKDONJSA-N -1 3 355.395 0.920 20 30 FCEDHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001588586650 1282575889 /nfs/dbraw/zinc/57/58/89/1282575889.db2.gz KLAPBGVPFVGHAA-OCCSQVGLSA-N -1 3 373.417 0.243 20 30 FCEDHM 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ZINC001588610683 1282591266 /nfs/dbraw/zinc/59/12/66/1282591266.db2.gz KEMOHQIBDSEHQF-UHFFFAOYSA-N -1 3 373.417 0.507 20 30 FCEDHM C=CCCOCC(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588610683 1282591273 /nfs/dbraw/zinc/59/12/73/1282591273.db2.gz KEMOHQIBDSEHQF-UHFFFAOYSA-N -1 3 373.417 0.507 20 30 FCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588616608 1282599815 /nfs/dbraw/zinc/59/98/15/1282599815.db2.gz KGCOLWWQUYLCBM-LBPRGKRZSA-N -1 3 373.417 0.508 20 30 FCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588616608 1282599828 /nfs/dbraw/zinc/59/98/28/1282599828.db2.gz KGCOLWWQUYLCBM-LBPRGKRZSA-N -1 3 373.417 0.508 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588631895 1282601018 /nfs/dbraw/zinc/60/10/18/1282601018.db2.gz DRCPQJJBLQRWCA-OAHLLOKOSA-N -1 3 370.413 0.111 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588631895 1282601031 /nfs/dbraw/zinc/60/10/31/1282601031.db2.gz DRCPQJJBLQRWCA-OAHLLOKOSA-N -1 3 370.413 0.111 20 30 FCEDHM C=CCN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001588627763 1282602959 /nfs/dbraw/zinc/60/29/59/1282602959.db2.gz JKNMEWNBYIDDLT-HUUCEWRRSA-N -1 3 363.443 0.575 20 30 FCEDHM C=CCN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001588627763 1282602968 /nfs/dbraw/zinc/60/29/68/1282602968.db2.gz JKNMEWNBYIDDLT-HUUCEWRRSA-N -1 3 363.443 0.575 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(=O)n(C)cn1 ZINC001588649239 1282604227 /nfs/dbraw/zinc/60/42/27/1282604227.db2.gz LHDPXRUECRXGRQ-UHFFFAOYSA-N -1 3 351.370 0.789 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(=O)n(C)cn1 ZINC001588649239 1282604237 /nfs/dbraw/zinc/60/42/37/1282604237.db2.gz LHDPXRUECRXGRQ-UHFFFAOYSA-N -1 3 351.370 0.789 20 30 FCEDHM C=CCN1CC[C@@H](N(C)[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588654308 1282604595 /nfs/dbraw/zinc/60/45/95/1282604595.db2.gz DGKOKNDLBFLFDI-HUUCEWRRSA-N -1 3 370.413 0.800 20 30 FCEDHM 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ZINC001588660061 1282613422 /nfs/dbraw/zinc/61/34/22/1282613422.db2.gz VSZQPGWKCVEKTN-CQSZACIVSA-N -1 3 371.401 0.252 20 30 FCEDHM C=CCNC(=O)CNC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588660061 1282613432 /nfs/dbraw/zinc/61/34/32/1282613432.db2.gz VSZQPGWKCVEKTN-CQSZACIVSA-N -1 3 371.401 0.252 20 30 FCEDHM C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588665034 1282616941 /nfs/dbraw/zinc/61/69/41/1282616941.db2.gz CQTLWAHMGPRJEP-NSHDSACASA-N -1 3 353.379 0.971 20 30 FCEDHM C=CCOCC(=O)N(CC)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588666183 1282618394 /nfs/dbraw/zinc/61/83/94/1282618394.db2.gz BSELVSINDFNSAU-CYBMUJFWSA-N -1 3 373.417 0.460 20 30 FCEDHM C=CCOCC(=O)N(CC)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588666183 1282618409 /nfs/dbraw/zinc/61/84/09/1282618409.db2.gz BSELVSINDFNSAU-CYBMUJFWSA-N -1 3 373.417 0.460 20 30 FCEDHM C=CCO[C@@H](C)C(=O)NC/C=C/CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588665922 1282619114 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CC(C)C#CC(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001589389818 1282870308 /nfs/dbraw/zinc/87/03/08/1282870308.db2.gz OLIXPGVDAKBSSX-KRWDZBQOSA-N -1 3 368.441 0.843 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001589389818 1282870325 /nfs/dbraw/zinc/87/03/25/1282870325.db2.gz OLIXPGVDAKBSSX-KRWDZBQOSA-N -1 3 368.441 0.843 20 30 FCEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589412344 1282872718 /nfs/dbraw/zinc/87/27/18/1282872718.db2.gz DEGYSUGEMSDJMZ-MRXNPFEDSA-N -1 3 369.429 0.938 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncc(C#N)n1 ZINC001604307105 1287603129 /nfs/dbraw/zinc/60/31/29/1287603129.db2.gz ZOWGRIYKNJMHIC-UHFFFAOYSA-N -1 3 352.362 0.113 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncc(C#N)n1 ZINC001604307105 1287603141 /nfs/dbraw/zinc/60/31/41/1287603141.db2.gz ZOWGRIYKNJMHIC-UHFFFAOYSA-N -1 3 352.362 0.113 20 30 FCEDHM CC(C)[C@H](CO)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001640901995 1282912750 /nfs/dbraw/zinc/91/27/50/1282912750.db2.gz MJDROANGQDXVRU-YPMHNXCESA-N -1 3 353.444 0.637 20 30 FCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787983 1283003367 /nfs/dbraw/zinc/00/33/67/1283003367.db2.gz RMGKEWGUJPAGJZ-VIFPVBQESA-N -1 3 353.383 0.574 20 30 FCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589787983 1283003379 /nfs/dbraw/zinc/00/33/79/1283003379.db2.gz RMGKEWGUJPAGJZ-VIFPVBQESA-N -1 3 353.383 0.574 20 30 FCEDHM C[C@H](C#N)C(=O)NCCCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589804607 1283019637 /nfs/dbraw/zinc/01/96/37/1283019637.db2.gz IQQRVOMBWBZKRC-GHMZBOCLSA-N -1 3 358.406 0.759 20 30 FCEDHM C[C@H](C#N)C(=O)NCCCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589804607 1283019648 /nfs/dbraw/zinc/01/96/48/1283019648.db2.gz IQQRVOMBWBZKRC-GHMZBOCLSA-N -1 3 358.406 0.759 20 30 FCEDHM C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589814636 1283044665 /nfs/dbraw/zinc/04/46/65/1283044665.db2.gz MTSZQJAYTMJTGE-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589814636 1283044671 /nfs/dbraw/zinc/04/46/71/1283044671.db2.gz MTSZQJAYTMJTGE-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1nncn1C ZINC001589850187 1283085310 /nfs/dbraw/zinc/08/53/10/1283085310.db2.gz CTZHRQMQGRVGLF-RISCZKNCSA-N -1 3 365.401 0.597 20 30 FCEDHM C[C@H](Cn1cncn1)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589903928 1283116100 /nfs/dbraw/zinc/11/61/00/1283116100.db2.gz MALOCBXYTSCUAR-RISCZKNCSA-N -1 3 351.374 0.345 20 30 FCEDHM C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ncn(C)n1 ZINC001589914790 1283124124 /nfs/dbraw/zinc/12/41/24/1283124124.db2.gz COFGYSLGFMJRBQ-GXFFZTMASA-N -1 3 351.374 0.555 20 30 FCEDHM C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ncn(C)n1 ZINC001589914792 1283124163 /nfs/dbraw/zinc/12/41/63/1283124163.db2.gz COFGYSLGFMJRBQ-ZWNOBZJWSA-N -1 3 351.374 0.555 20 30 FCEDHM C[C@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1nncn1C ZINC001589915099 1283125155 /nfs/dbraw/zinc/12/51/55/1283125155.db2.gz FKKQEMNMADPYHO-GWCFXTLKSA-N -1 3 351.374 0.555 20 30 FCEDHM C[C@]1(C#N)CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC001590054601 1283189179 /nfs/dbraw/zinc/18/91/79/1283189179.db2.gz MCDDHLZJPWQCKV-SUMWQHHRSA-N -1 3 351.370 0.734 20 30 FCEDHM C[C@]1(C#N)CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC001590054601 1283189183 /nfs/dbraw/zinc/18/91/83/1283189183.db2.gz MCDDHLZJPWQCKV-SUMWQHHRSA-N -1 3 351.370 0.734 20 30 FCEDHM C[C@@]1(C#N)CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001590056333 1283190096 /nfs/dbraw/zinc/19/00/96/1283190096.db2.gz HKWHWIKGAGDENX-CQSZACIVSA-N -1 3 366.378 0.450 20 30 FCEDHM C[C@@]1(C#N)CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001590056333 1283190102 /nfs/dbraw/zinc/19/01/02/1283190102.db2.gz HKWHWIKGAGDENX-CQSZACIVSA-N -1 3 366.378 0.450 20 30 FCEDHM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590100769 1283214369 /nfs/dbraw/zinc/21/43/69/1283214369.db2.gz QNHUIOPLTIUVOM-AWEZNQCLSA-N -1 3 367.413 0.575 20 30 FCEDHM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590100769 1283214372 /nfs/dbraw/zinc/21/43/72/1283214372.db2.gz QNHUIOPLTIUVOM-AWEZNQCLSA-N -1 3 367.413 0.575 20 30 FCEDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)CSCC#N ZINC001590108219 1283219636 /nfs/dbraw/zinc/21/96/36/1283219636.db2.gz UCNMWULQTWRXFA-GFCCVEGCSA-N -1 3 372.458 0.849 20 30 FCEDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)CSCC#N ZINC001590108219 1283219643 /nfs/dbraw/zinc/21/96/43/1283219643.db2.gz UCNMWULQTWRXFA-GFCCVEGCSA-N -1 3 372.458 0.849 20 30 FCEDHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCOCCC#N)C1=O ZINC001590153059 1283251150 /nfs/dbraw/zinc/25/11/50/1283251150.db2.gz OXUABURNEYTASQ-MRXNPFEDSA-N -1 3 355.358 0.564 20 30 FCEDHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCOCCC#N)C1=O ZINC001590153059 1283251158 /nfs/dbraw/zinc/25/11/58/1283251158.db2.gz OXUABURNEYTASQ-MRXNPFEDSA-N -1 3 355.358 0.564 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590199322 1283313446 /nfs/dbraw/zinc/31/34/46/1283313446.db2.gz OEZSFANUTSWAGG-NXEZZACHSA-N -1 3 374.430 0.171 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590199322 1283313458 /nfs/dbraw/zinc/31/34/58/1283313458.db2.gz OEZSFANUTSWAGG-NXEZZACHSA-N -1 3 374.430 0.171 20 30 FCEDHM C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590230546 1283360863 /nfs/dbraw/zinc/36/08/63/1283360863.db2.gz KLPLNSIGXBVWOO-BXUZGUMPSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590230546 1283360876 /nfs/dbraw/zinc/36/08/76/1283360876.db2.gz KLPLNSIGXBVWOO-BXUZGUMPSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@H]1CN(C(C)(C)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001590302267 1283439517 /nfs/dbraw/zinc/43/95/17/1283439517.db2.gz SFWXUUMBOBRQBJ-QWRGUYRKSA-N -1 3 357.422 0.828 20 30 FCEDHM C[C@H]1CN(C(C)(C)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590302267 1283439527 /nfs/dbraw/zinc/43/95/27/1283439527.db2.gz SFWXUUMBOBRQBJ-QWRGUYRKSA-N -1 3 357.422 0.828 20 30 FCEDHM CCN(CC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(=O)OC ZINC001590679700 1283730156 /nfs/dbraw/zinc/73/01/56/1283730156.db2.gz HQVRZLYPXHYMNL-UHFFFAOYSA-N -1 3 350.360 0.187 20 30 FCEDHM CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(=O)OC ZINC001590679700 1283730160 /nfs/dbraw/zinc/73/01/60/1283730160.db2.gz HQVRZLYPXHYMNL-UHFFFAOYSA-N -1 3 350.360 0.187 20 30 FCEDHM CCN1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001590730335 1283756759 /nfs/dbraw/zinc/75/67/59/1283756759.db2.gz ZUJMEZBKXWBYIC-KBPBESRZSA-N -1 3 353.386 0.286 20 30 FCEDHM CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001590973386 1284037455 /nfs/dbraw/zinc/03/74/55/1284037455.db2.gz VWYFLEGQCCLGBR-MCIONIFRSA-N -1 3 353.386 0.271 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590990738 1284044861 /nfs/dbraw/zinc/04/48/61/1284044861.db2.gz KMWXPCJYLJPSMV-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590990738 1284044874 /nfs/dbraw/zinc/04/48/74/1284044874.db2.gz KMWXPCJYLJPSMV-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(CCC#N)C[C@H](O)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591061942 1284122420 /nfs/dbraw/zinc/12/24/20/1284122420.db2.gz LBDMSYVSJAEZRV-HNNXBMFYSA-N -1 3 352.402 0.937 20 30 FCEDHM CN(CCC#N)C[C@H](O)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591061942 1284122423 /nfs/dbraw/zinc/12/24/23/1284122423.db2.gz LBDMSYVSJAEZRV-HNNXBMFYSA-N -1 3 352.402 0.937 20 30 FCEDHM CN(CCC#N)S(=O)(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591062150 1284123474 /nfs/dbraw/zinc/12/34/74/1284123474.db2.gz QKKPPDHMRJTOQQ-UHFFFAOYSA-N -1 3 355.811 0.700 20 30 FCEDHM CN(CCC#N)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591062150 1284123479 /nfs/dbraw/zinc/12/34/79/1284123479.db2.gz QKKPPDHMRJTOQQ-UHFFFAOYSA-N -1 3 355.811 0.700 20 30 FCEDHM CN(CCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC001591074987 1284138304 /nfs/dbraw/zinc/13/83/04/1284138304.db2.gz VVIGKBGYJCSACV-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CN(CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC001591074987 1284138305 /nfs/dbraw/zinc/13/83/05/1284138305.db2.gz VVIGKBGYJCSACV-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2c(C#N)cccc2-c2nnn[n-]2)C1=O ZINC001591164935 1284244305 /nfs/dbraw/zinc/24/43/05/1284244305.db2.gz HUNYDNKXCUDGBG-GTNSWQLSSA-N -1 3 366.385 0.871 20 30 FCEDHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2c(C#N)cccc2-c2nn[n-]n2)C1=O ZINC001591164935 1284244315 /nfs/dbraw/zinc/24/43/15/1284244315.db2.gz HUNYDNKXCUDGBG-GTNSWQLSSA-N -1 3 366.385 0.871 20 30 FCEDHM CN(C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCC[C@@H]1C#N ZINC001604641168 1287703664 /nfs/dbraw/zinc/70/36/64/1287703664.db2.gz 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20 30 FCEDHM O=C(NCC#CCO)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593005836 1285890120 /nfs/dbraw/zinc/89/01/20/1285890120.db2.gz WFPSRHMQJDPHPB-UHFFFAOYSA-N -1 3 371.401 0.247 20 30 FCEDHM N#CC1(C(=O)[O-])CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001601051419 1286622678 /nfs/dbraw/zinc/62/26/78/1286622678.db2.gz OPSPCNFKIVULMQ-CQSZACIVSA-N -1 3 350.419 0.640 20 30 FCEDHM COCCN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609325116 1289096757 /nfs/dbraw/zinc/09/67/57/1289096757.db2.gz KSYLGVVGZHJGJW-UHFFFAOYSA-N -1 3 350.404 0.726 20 30 FCEDHM COCCN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609325116 1289096762 /nfs/dbraw/zinc/09/67/62/1289096762.db2.gz KSYLGVVGZHJGJW-UHFFFAOYSA-N -1 3 350.404 0.726 20 30 FCEDHM COc1cc(-c2nnn[n-]2)ccc1CN(CC#N)S(=O)(=O)N(C)C ZINC001609333393 1289104343 /nfs/dbraw/zinc/10/43/43/1289104343.db2.gz HVLLEWSJHBKCRV-UHFFFAOYSA-N -1 3 351.392 0.007 20 30 FCEDHM COc1cc(-c2nn[n-]n2)ccc1CN(CC#N)S(=O)(=O)N(C)C ZINC001609333393 1289104347 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FCEDHM C#CC[C@H]1CCCN(C(=O)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001602699569 1287063018 /nfs/dbraw/zinc/06/30/18/1287063018.db2.gz IGLBOYHKVZEWSY-LBPRGKRZSA-N -1 3 370.388 0.884 20 30 FCEDHM C#CC[C@H]1CCCN(C(=O)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001602699569 1287063030 /nfs/dbraw/zinc/06/30/30/1287063030.db2.gz IGLBOYHKVZEWSY-LBPRGKRZSA-N -1 3 370.388 0.884 20 30 FCEDHM C#CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001602703016 1287065453 /nfs/dbraw/zinc/06/54/53/1287065453.db2.gz LEFAXWKJDAOPFG-OAHLLOKOSA-N -1 3 365.397 0.865 20 30 FCEDHM C#CCC[C@@H](O)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001602703016 1287065467 /nfs/dbraw/zinc/06/54/67/1287065467.db2.gz LEFAXWKJDAOPFG-OAHLLOKOSA-N -1 3 365.397 0.865 20 30 FCEDHM C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602721547 1287075648 /nfs/dbraw/zinc/07/56/48/1287075648.db2.gz NIZTZBCFDHRXIR-JKSUJKDBSA-N -1 3 354.414 0.456 20 30 FCEDHM C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 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CC(C)C#CC(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001603189596 1287326218 /nfs/dbraw/zinc/32/62/18/1287326218.db2.gz PSNPNWPJHARKDB-CYBMUJFWSA-N -1 3 372.404 0.987 20 30 FCEDHM CC(C)C#CC(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001603189596 1287326227 /nfs/dbraw/zinc/32/62/27/1287326227.db2.gz PSNPNWPJHARKDB-CYBMUJFWSA-N -1 3 372.404 0.987 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001603189894 1287326804 /nfs/dbraw/zinc/32/68/04/1287326804.db2.gz SFTXEYZYKUNELB-QWHCGFSZSA-N -1 3 369.429 0.964 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001603189894 1287326808 /nfs/dbraw/zinc/32/68/08/1287326808.db2.gz SFTXEYZYKUNELB-QWHCGFSZSA-N -1 3 369.429 0.964 20 30 FCEDHM CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001603189743 1287327007 /nfs/dbraw/zinc/32/70/07/1287327007.db2.gz REOGWYUOUCGCTM-QGZVFWFLSA-N -1 3 355.402 0.575 20 30 FCEDHM CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001603189743 1287327009 /nfs/dbraw/zinc/32/70/09/1287327009.db2.gz REOGWYUOUCGCTM-QGZVFWFLSA-N -1 3 355.402 0.575 20 30 FCEDHM Cc1cc(N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C#N)cn1 ZINC001581008164 1279230594 /nfs/dbraw/zinc/23/05/94/1279230594.db2.gz WZEMYFDLKKLSDP-ZDUSSCGKSA-N -1 3 363.385 0.518 20 30 FCEDHM Cc1cc(N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C#N)cn1 ZINC001581008164 1279230604 /nfs/dbraw/zinc/23/06/04/1279230604.db2.gz WZEMYFDLKKLSDP-ZDUSSCGKSA-N -1 3 363.385 0.518 20 30 FCEDHM Cc1cc(NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C#N)cn1 ZINC001581011082 1279237644 /nfs/dbraw/zinc/23/76/44/1279237644.db2.gz BYJFPYXUNWUEHI-NSHDSACASA-N -1 3 365.401 0.764 20 30 FCEDHM Cc1cc(NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C#N)cn1 ZINC001581011082 1279237647 /nfs/dbraw/zinc/23/76/47/1279237647.db2.gz BYJFPYXUNWUEHI-NSHDSACASA-N -1 3 365.401 0.764 20 30 FCEDHM Cc1cc(NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C#N)cn1 ZINC001581031898 1279270337 /nfs/dbraw/zinc/27/03/37/1279270337.db2.gz MLIDFWWLMQCUIZ-JTQLQIEISA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C#N)cn1 ZINC001581031898 1279270340 /nfs/dbraw/zinc/27/03/40/1279270340.db2.gz MLIDFWWLMQCUIZ-JTQLQIEISA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C#N)cn1 ZINC001581039157 1279276071 /nfs/dbraw/zinc/27/60/71/1279276071.db2.gz LZGXPAMXNKNOKJ-JOCQHMNTSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1cc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C#N)cn1 ZINC001581039157 1279276074 /nfs/dbraw/zinc/27/60/74/1279276074.db2.gz LZGXPAMXNKNOKJ-JOCQHMNTSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 ZINC001581069391 1279320379 /nfs/dbraw/zinc/32/03/79/1279320379.db2.gz AXDWCALZBWJSOM-CABCVRRESA-N -1 3 367.413 0.039 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](O)C2)n1 ZINC001581069391 1279320387 /nfs/dbraw/zinc/32/03/87/1279320387.db2.gz AXDWCALZBWJSOM-CABCVRRESA-N -1 3 367.413 0.039 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC2(CNC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001581097358 1279378270 /nfs/dbraw/zinc/37/82/70/1279378270.db2.gz MBGATMVOODCSTI-NSHDSACASA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC2(CNC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001581097358 1279378281 /nfs/dbraw/zinc/37/82/81/1279378281.db2.gz MBGATMVOODCSTI-NSHDSACASA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001581119936 1279419167 /nfs/dbraw/zinc/41/91/67/1279419167.db2.gz YKKCBHUGUVZNOF-DGCLKSJQSA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001581119936 1279419170 /nfs/dbraw/zinc/41/91/70/1279419170.db2.gz YKKCBHUGUVZNOF-DGCLKSJQSA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1-c1nnn[n-]1 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3 351.374 0.959 20 30 FCEDHM CC(C)N(Cc1ccccc1)C(=O)Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001603330987 1287357780 /nfs/dbraw/zinc/35/77/80/1287357780.db2.gz PQAVRNUKJXRUSD-UHFFFAOYSA-N -1 3 365.401 0.954 20 30 FCEDHM CC(C)N(Cc1ccccc1)C(=O)Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001603330987 1287357781 /nfs/dbraw/zinc/35/77/81/1287357781.db2.gz PQAVRNUKJXRUSD-UHFFFAOYSA-N -1 3 365.401 0.954 20 30 FCEDHM C[C@H](CC#N)N(C)S(=O)(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001603443042 1287373091 /nfs/dbraw/zinc/37/30/91/1287373091.db2.gz OUPMBAIYCUNUFI-SECBINFHSA-N -1 3 353.383 0.574 20 30 FCEDHM C[C@H](CC#N)N(C)S(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001603443042 1287373097 /nfs/dbraw/zinc/37/30/97/1287373097.db2.gz OUPMBAIYCUNUFI-SECBINFHSA-N -1 3 353.383 0.574 20 30 FCEDHM Cc1csc(NC(=O)N2CCN(C(=O)CC#N)CC2)c1-c1nnn[n-]1 ZINC001581387633 1279816743 /nfs/dbraw/zinc/81/67/43/1279816743.db2.gz WRFIYJGBEPCKKU-UHFFFAOYSA-N -1 3 360.403 0.826 20 30 FCEDHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1nccnc1C#N 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ZINC001581859621 1280611446 /nfs/dbraw/zinc/61/14/46/1280611446.db2.gz MRCXJZIAIPIECK-UHFFFAOYSA-N -1 3 369.410 0.947 20 30 FCEDHM N#CCOc1ccccc1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001581858512 1280611453 /nfs/dbraw/zinc/61/14/53/1280611453.db2.gz JMNPOSRVOWMVRN-UHFFFAOYSA-N -1 3 366.341 0.748 20 30 FCEDHM N#CCOc1ccccc1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001581858512 1280611459 /nfs/dbraw/zinc/61/14/59/1280611459.db2.gz JMNPOSRVOWMVRN-UHFFFAOYSA-N -1 3 366.341 0.748 20 30 FCEDHM N#Cc1c(NC(=O)c2sccc2-c2nnn[n-]2)[nH]nc1N1CCOCC1 ZINC001581861028 1280613552 /nfs/dbraw/zinc/61/35/52/1280613552.db2.gz FXYGHMBVZBWJGL-UHFFFAOYSA-N -1 3 371.386 0.612 20 30 FCEDHM N#Cc1c(NC(=O)c2sccc2-c2nn[n-]n2)[nH]nc1N1CCOCC1 ZINC001581861028 1280613560 /nfs/dbraw/zinc/61/35/60/1280613560.db2.gz FXYGHMBVZBWJGL-UHFFFAOYSA-N -1 3 371.386 0.612 20 30 FCEDHM N#Cc1c(-c2nnn[n-]2)c2c(nc1N1CC[C@@H](O)[C@@H](O)C1)CCCCCC2 ZINC001581861046 1280614590 /nfs/dbraw/zinc/61/45/90/1280614590.db2.gz GVENQWFUSJRQJK-CABCVRRESA-N -1 3 369.429 0.724 20 30 FCEDHM N#Cc1c(-c2nn[n-]n2)c2c(nc1N1CC[C@@H](O)[C@@H](O)C1)CCCCCC2 ZINC001581861046 1280614598 /nfs/dbraw/zinc/61/45/98/1280614598.db2.gz GVENQWFUSJRQJK-CABCVRRESA-N -1 3 369.429 0.724 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c1 ZINC001581863638 1280615939 /nfs/dbraw/zinc/61/59/39/1280615939.db2.gz ZUAYIFIINQUYNC-JYAVWHMHSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c1 ZINC001581863638 1280615945 /nfs/dbraw/zinc/61/59/45/1280615945.db2.gz ZUAYIFIINQUYNC-JYAVWHMHSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001581863329 1280616532 /nfs/dbraw/zinc/61/65/32/1280616532.db2.gz IQVOZFVEEHJWGL-XYPYZODXSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001581863329 1280616541 /nfs/dbraw/zinc/61/65/41/1280616541.db2.gz IQVOZFVEEHJWGL-XYPYZODXSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001581864577 1280616560 /nfs/dbraw/zinc/61/65/60/1280616560.db2.gz CHMQVTOUCLREOL-UHFFFAOYSA-N -1 3 355.383 0.753 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001581864577 1280616572 /nfs/dbraw/zinc/61/65/72/1280616572.db2.gz CHMQVTOUCLREOL-UHFFFAOYSA-N -1 3 355.383 0.753 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)[nH]1 ZINC001581867818 1280622428 /nfs/dbraw/zinc/62/24/28/1280622428.db2.gz WZUNSPPCTOJHGV-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)[nH]1 ZINC001581867818 1280622436 /nfs/dbraw/zinc/62/24/36/1280622436.db2.gz WZUNSPPCTOJHGV-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(F)c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001581872024 1280627028 /nfs/dbraw/zinc/62/70/28/1280627028.db2.gz HJKFIFUGTHNXRB-UHFFFAOYSA-N -1 3 354.305 0.856 20 30 FCEDHM N#Cc1ccc(F)c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c1 ZINC001581872024 1280627031 /nfs/dbraw/zinc/62/70/31/1280627031.db2.gz HJKFIFUGTHNXRB-UHFFFAOYSA-N -1 3 354.305 0.856 20 30 FCEDHM N#Cc1ccc(N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc1 ZINC001581871303 1280627705 /nfs/dbraw/zinc/62/77/05/1280627705.db2.gz PHSPJEUIFMCFBY-GFCCVEGCSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc1 ZINC001581871303 1280627713 /nfs/dbraw/zinc/62/77/13/1280627713.db2.gz PHSPJEUIFMCFBY-GFCCVEGCSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)nn1 ZINC001581872978 1280627725 /nfs/dbraw/zinc/62/77/25/1280627725.db2.gz OKWUWNFOYBVWQM-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)nn1 ZINC001581872978 1280627737 /nfs/dbraw/zinc/62/77/37/1280627737.db2.gz OKWUWNFOYBVWQM-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001581873585 1280628650 /nfs/dbraw/zinc/62/86/50/1280628650.db2.gz HQSHEUZPJSJFEW-WVSHTKLVSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001581873585 1280628659 /nfs/dbraw/zinc/62/86/59/1280628659.db2.gz HQSHEUZPJSJFEW-WVSHTKLVSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001581873825 1280629135 /nfs/dbraw/zinc/62/91/35/1280629135.db2.gz RKVKKDBPOBOYEZ-LLVKDONJSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1ccc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001581873825 1280629140 /nfs/dbraw/zinc/62/91/40/1280629140.db2.gz RKVKKDBPOBOYEZ-LLVKDONJSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1ccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001581873618 1280629393 /nfs/dbraw/zinc/62/93/93/1280629393.db2.gz JMNMRBJSXBHANR-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1ccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001581873618 1280629405 /nfs/dbraw/zinc/62/94/05/1280629405.db2.gz JMNMRBJSXBHANR-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001581875704 1280629834 /nfs/dbraw/zinc/62/98/34/1280629834.db2.gz LQVUXCPBTFNEGA-UHFFFAOYSA-N -1 3 353.367 0.838 20 30 FCEDHM N#Cc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001581875704 1280629841 /nfs/dbraw/zinc/62/98/41/1280629841.db2.gz LQVUXCPBTFNEGA-UHFFFAOYSA-N -1 3 353.367 0.838 20 30 FCEDHM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001581874009 1280630495 /nfs/dbraw/zinc/63/04/95/1280630495.db2.gz ACCYCAOJJTVMBI-UHFFFAOYSA-N -1 3 353.367 0.838 20 30 FCEDHM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001581874009 1280630504 /nfs/dbraw/zinc/63/05/04/1280630504.db2.gz ACCYCAOJJTVMBI-UHFFFAOYSA-N -1 3 353.367 0.838 20 30 FCEDHM N#Cc1cccnc1N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001581876573 1280632120 /nfs/dbraw/zinc/63/21/20/1280632120.db2.gz WVFZIFYJMNEZSG-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cccnc1N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001581876573 1280632133 /nfs/dbraw/zinc/63/21/33/1280632133.db2.gz WVFZIFYJMNEZSG-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cccnc1N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001581876348 1280633423 /nfs/dbraw/zinc/63/34/23/1280633423.db2.gz MZIBWTRKMLUWPI-UHFFFAOYSA-N -1 3 363.385 0.814 20 30 FCEDHM N#Cc1cccnc1N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001581876348 1280633434 /nfs/dbraw/zinc/63/34/34/1280633434.db2.gz MZIBWTRKMLUWPI-UHFFFAOYSA-N -1 3 363.385 0.814 20 30 FCEDHM N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581878132 1280634568 /nfs/dbraw/zinc/63/45/68/1280634568.db2.gz WVGZOWSMIGBCMV-HOMQSWHASA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cnc(N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581878132 1280634573 /nfs/dbraw/zinc/63/45/73/1280634573.db2.gz WVGZOWSMIGBCMV-HOMQSWHASA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cnc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581878181 1280635536 /nfs/dbraw/zinc/63/55/36/1280635536.db2.gz ZMZPTAOYBJGVSM-LLVKDONJSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1cnc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581878181 1280635540 /nfs/dbraw/zinc/63/55/40/1280635540.db2.gz ZMZPTAOYBJGVSM-LLVKDONJSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1nc(N2CCN(Cc3cccs3)CC2)cnc1-c1nnn[n-]1 ZINC001581879450 1280638704 /nfs/dbraw/zinc/63/87/04/1280638704.db2.gz LTKFXLUTODLIFN-UHFFFAOYSA-N -1 3 353.415 0.912 20 30 FCEDHM N#Cc1nc(N2CCN(Cc3cccs3)CC2)cnc1-c1nn[n-]n1 ZINC001581879450 1280638712 /nfs/dbraw/zinc/63/87/12/1280638712.db2.gz LTKFXLUTODLIFN-UHFFFAOYSA-N -1 3 353.415 0.912 20 30 FCEDHM N#Cc1cnccc1N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001581882998 1280646614 /nfs/dbraw/zinc/64/66/14/1280646614.db2.gz GRVVKHMXBQNHAM-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cnccc1N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001581882998 1280646629 /nfs/dbraw/zinc/64/66/29/1280646629.db2.gz GRVVKHMXBQNHAM-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cnccc1NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001581883079 1280646649 /nfs/dbraw/zinc/64/66/49/1280646649.db2.gz IWQGSTGOHSFBIB-HNNXBMFYSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1cnccc1NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001581883079 1280646657 /nfs/dbraw/zinc/64/66/57/1280646657.db2.gz IWQGSTGOHSFBIB-HNNXBMFYSA-N -1 3 363.385 0.504 20 30 FCEDHM N#Cc1ncc(N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)nc1C#N ZINC001581883157 1280648621 /nfs/dbraw/zinc/64/86/21/1280648621.db2.gz QFCJKMOFLMRTLY-UHFFFAOYSA-N -1 3 350.371 0.606 20 30 FCEDHM N#Cc1ncc(N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)nc1C#N ZINC001581883157 1280648627 /nfs/dbraw/zinc/64/86/27/1280648627.db2.gz QFCJKMOFLMRTLY-UHFFFAOYSA-N -1 3 350.371 0.606 20 30 FCEDHM N#Cc1cncc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001581883728 1280649781 /nfs/dbraw/zinc/64/97/81/1280649781.db2.gz UVAQESRBPFYIEF-SNVBAGLBSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1cncc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001581883728 1280649784 /nfs/dbraw/zinc/64/97/84/1280649784.db2.gz UVAQESRBPFYIEF-SNVBAGLBSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1cncc(NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001581883802 1280650054 /nfs/dbraw/zinc/65/00/54/1280650054.db2.gz XLTXRDMVUZLLFF-UHFFFAOYSA-N -1 3 350.346 0.231 20 30 FCEDHM N#Cc1cncc(NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001581883802 1280650061 /nfs/dbraw/zinc/65/00/61/1280650061.db2.gz XLTXRDMVUZLLFF-UHFFFAOYSA-N -1 3 350.346 0.231 20 30 FCEDHM N#Cc1nccc(N(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001581884981 1280652287 /nfs/dbraw/zinc/65/22/87/1280652287.db2.gz JAOHHWPFTABPBB-UHFFFAOYSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1nccc(N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001581884981 1280652294 /nfs/dbraw/zinc/65/22/94/1280652294.db2.gz JAOHHWPFTABPBB-UHFFFAOYSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1nccc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001581884777 1280652383 /nfs/dbraw/zinc/65/23/83/1280652383.db2.gz APNVWTLQRMZJMZ-UHFFFAOYSA-N -1 3 364.373 0.209 20 30 FCEDHM N#Cc1nccc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001581884777 1280652395 /nfs/dbraw/zinc/65/23/95/1280652395.db2.gz APNVWTLQRMZJMZ-UHFFFAOYSA-N -1 3 364.373 0.209 20 30 FCEDHM N#Cc1nccc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001581885076 1280652678 /nfs/dbraw/zinc/65/26/78/1280652678.db2.gz MQMSXIZNQAYKKI-LLVKDONJSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1nccc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001581885076 1280652688 /nfs/dbraw/zinc/65/26/88/1280652688.db2.gz MQMSXIZNQAYKKI-LLVKDONJSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1nccnc1NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001581885814 1280653085 /nfs/dbraw/zinc/65/30/85/1280653085.db2.gz NPJHXFPBWWZRTJ-UHFFFAOYSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1nccnc1NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001581885814 1280653092 /nfs/dbraw/zinc/65/30/92/1280653092.db2.gz NPJHXFPBWWZRTJ-UHFFFAOYSA-N -1 3 364.373 0.573 20 30 FCEDHM 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/nfs/dbraw/zinc/48/00/26/1282480026.db2.gz WCZRFXHYNZHFFY-UHFFFAOYSA-N -1 3 371.445 0.895 20 30 FCEDHM C#CCOCCC(=O)N(C)CCCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588360804 1282480032 /nfs/dbraw/zinc/48/00/32/1282480032.db2.gz WCZRFXHYNZHFFY-UHFFFAOYSA-N -1 3 371.445 0.895 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001588360745 1282481308 /nfs/dbraw/zinc/48/13/08/1282481308.db2.gz USUBBDCLVLERBJ-OLZOCXBDSA-N -1 3 355.402 0.703 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001588360745 1282481314 /nfs/dbraw/zinc/48/13/14/1282481314.db2.gz USUBBDCLVLERBJ-OLZOCXBDSA-N -1 3 355.402 0.703 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588361134 1282482792 /nfs/dbraw/zinc/48/27/92/1282482792.db2.gz FIWDGXGHSGEFAB-AWEZNQCLSA-N -1 3 372.404 0.736 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588361134 1282482796 /nfs/dbraw/zinc/48/27/96/1282482796.db2.gz FIWDGXGHSGEFAB-AWEZNQCLSA-N -1 3 372.404 0.736 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588362107 1282486873 /nfs/dbraw/zinc/48/68/73/1282486873.db2.gz WBKPELJUUGYJSR-CQSZACIVSA-N -1 3 369.429 0.695 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588362107 1282486878 /nfs/dbraw/zinc/48/68/78/1282486878.db2.gz WBKPELJUUGYJSR-CQSZACIVSA-N -1 3 369.429 0.695 20 30 FCEDHM C#CCOCCC(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588362134 1282487406 /nfs/dbraw/zinc/48/74/06/1282487406.db2.gz WPCYTHCJQTVTFG-LBPRGKRZSA-N -1 3 357.418 0.774 20 30 FCEDHM C#CCOCCC(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588362134 1282487411 /nfs/dbraw/zinc/48/74/11/1282487411.db2.gz WPCYTHCJQTVTFG-LBPRGKRZSA-N -1 3 357.418 0.774 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)[C@H]1C ZINC001588362181 1282487501 /nfs/dbraw/zinc/48/75/01/1282487501.db2.gz XVLHLQMDKZLVQD-DZGCQCFKSA-N -1 3 369.429 0.775 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)[C@H]1C ZINC001588362181 1282487506 /nfs/dbraw/zinc/48/75/06/1282487506.db2.gz XVLHLQMDKZLVQD-DZGCQCFKSA-N -1 3 369.429 0.775 20 30 FCEDHM C#CCOCCNC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588363746 1282489530 /nfs/dbraw/zinc/48/95/30/1282489530.db2.gz YDSUEYFXIWLTCQ-CYBMUJFWSA-N -1 3 357.374 0.074 20 30 FCEDHM C#CCOCCNC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588363746 1282489532 /nfs/dbraw/zinc/48/95/32/1282489532.db2.gz YDSUEYFXIWLTCQ-CYBMUJFWSA-N -1 3 357.374 0.074 20 30 FCEDHM C#CCSCCNC(=O)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588363931 1282489553 /nfs/dbraw/zinc/48/95/53/1282489553.db2.gz JOMQDVHNZQUWTI-UHFFFAOYSA-N -1 3 358.427 0.008 20 30 FCEDHM C#CCSCCNC(=O)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588363931 1282489557 /nfs/dbraw/zinc/48/95/57/1282489557.db2.gz JOMQDVHNZQUWTI-UHFFFAOYSA-N -1 3 358.427 0.008 20 30 FCEDHM C#CCn1ccc(CN(CCOC)c2ccc(-c3nnn[n-]3)c(N)n2)n1 ZINC001588364372 1282490621 /nfs/dbraw/zinc/49/06/21/1282490621.db2.gz CFUBRIIMVLRUFS-UHFFFAOYSA-N -1 3 353.390 0.327 20 30 FCEDHM C#CCn1ccc(CN(CCOC)c2ccc(-c3nn[n-]n3)c(N)n2)n1 ZINC001588364372 1282490627 /nfs/dbraw/zinc/49/06/27/1282490627.db2.gz CFUBRIIMVLRUFS-UHFFFAOYSA-N -1 3 353.390 0.327 20 30 FCEDHM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001588380678 1282495703 /nfs/dbraw/zinc/49/57/03/1282495703.db2.gz KWFGDHPFWFESPH-AWEZNQCLSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001588380678 1282495709 /nfs/dbraw/zinc/49/57/09/1282495709.db2.gz KWFGDHPFWFESPH-AWEZNQCLSA-N -1 3 360.381 0.965 20 30 FCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588403957 1282499207 /nfs/dbraw/zinc/49/92/07/1282499207.db2.gz APJNLYFTONVLGI-HZPDHXFCSA-N -1 3 372.429 0.829 20 30 FCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588403957 1282499215 /nfs/dbraw/zinc/49/92/15/1282499215.db2.gz APJNLYFTONVLGI-HZPDHXFCSA-N -1 3 372.429 0.829 20 30 FCEDHM C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588412069 1282501956 /nfs/dbraw/zinc/50/19/56/1282501956.db2.gz QZDSSVGZJLWXSP-KRWDZBQOSA-N -1 3 373.417 0.244 20 30 FCEDHM C=C(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588412069 1282501960 /nfs/dbraw/zinc/50/19/60/1282501960.db2.gz QZDSSVGZJLWXSP-KRWDZBQOSA-N -1 3 373.417 0.244 20 30 FCEDHM C=C(C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588418238 1282506313 /nfs/dbraw/zinc/50/63/13/1282506313.db2.gz WJQNPWMZAUYUPQ-GFCCVEGCSA-N -1 3 361.406 0.100 20 30 FCEDHM C=C(C)CCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588418238 1282506325 /nfs/dbraw/zinc/50/63/25/1282506325.db2.gz WJQNPWMZAUYUPQ-GFCCVEGCSA-N -1 3 361.406 0.100 20 30 FCEDHM C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001588449052 1282508947 /nfs/dbraw/zinc/50/89/47/1282508947.db2.gz JEWZIHNGFPVDHQ-LBPRGKRZSA-N -1 3 355.402 0.882 20 30 FCEDHM C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001588449052 1282508954 /nfs/dbraw/zinc/50/89/54/1282508954.db2.gz JEWZIHNGFPVDHQ-LBPRGKRZSA-N -1 3 355.402 0.882 20 30 FCEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001588474922 1282516800 /nfs/dbraw/zinc/51/68/00/1282516800.db2.gz IBRAVBNOPQZYFR-BETUJISGSA-N -1 3 369.429 0.937 20 30 FCEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001588474922 1282516806 /nfs/dbraw/zinc/51/68/06/1282516806.db2.gz IBRAVBNOPQZYFR-BETUJISGSA-N -1 3 369.429 0.937 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588498561 1282528739 /nfs/dbraw/zinc/52/87/39/1282528739.db2.gz BJZPNNCFAJBFHB-MRXNPFEDSA-N -1 3 362.459 0.898 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588498719 1282529340 /nfs/dbraw/zinc/52/93/40/1282529340.db2.gz CLOGGLSHXQKYMJ-MRXNPFEDSA-N -1 3 361.406 0.100 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588498719 1282529351 /nfs/dbraw/zinc/52/93/51/1282529351.db2.gz CLOGGLSHXQKYMJ-MRXNPFEDSA-N -1 3 361.406 0.100 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588499160 1282529923 /nfs/dbraw/zinc/52/99/23/1282529923.db2.gz GTKYGAPFKMFGMX-SJKOYZFVSA-N -1 3 373.417 0.195 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588499160 1282529933 /nfs/dbraw/zinc/52/99/33/1282529933.db2.gz GTKYGAPFKMFGMX-SJKOYZFVSA-N -1 3 373.417 0.195 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588501163 1282534158 /nfs/dbraw/zinc/53/41/58/1282534158.db2.gz KNSJEHPKLVNVOP-DIFFPNOSSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588501163 1282534173 /nfs/dbraw/zinc/53/41/73/1282534173.db2.gz KNSJEHPKLVNVOP-DIFFPNOSSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588500877 1282535591 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357.418 0.674 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588502532 1282541586 /nfs/dbraw/zinc/54/15/86/1282541586.db2.gz SYDUCJCEUDXDCV-QGZVFWFLSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588503943 1282543877 /nfs/dbraw/zinc/54/38/77/1282543877.db2.gz IGZHGFAJLOKHKG-QGZVFWFLSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588503943 1282543866 /nfs/dbraw/zinc/54/38/66/1282543866.db2.gz IGZHGFAJLOKHKG-QGZVFWFLSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588504747 1282544900 /nfs/dbraw/zinc/54/49/00/1282544900.db2.gz LVKCMAJJMADTRW-KRWDZBQOSA-N -1 3 362.409 0.881 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588504747 1282544909 /nfs/dbraw/zinc/54/49/09/1282544909.db2.gz LVKCMAJJMADTRW-KRWDZBQOSA-N -1 3 362.409 0.881 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588505644 1282549124 /nfs/dbraw/zinc/54/91/24/1282549124.db2.gz TWVGNRIBJNEIOW-WDFXGECGSA-N -1 3 373.417 0.147 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588505644 1282549131 /nfs/dbraw/zinc/54/91/31/1282549131.db2.gz TWVGNRIBJNEIOW-WDFXGECGSA-N -1 3 373.417 0.147 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588507899 1282550970 /nfs/dbraw/zinc/55/09/70/1282550970.db2.gz MATUJMBPRMEAIW-PSTGCABASA-N -1 3 357.418 0.956 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588507899 1282550977 /nfs/dbraw/zinc/55/09/77/1282550977.db2.gz MATUJMBPRMEAIW-PSTGCABASA-N -1 3 357.418 0.956 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588507893 1282551506 /nfs/dbraw/zinc/55/15/06/1282551506.db2.gz MAAQQCHSAUMFDH-UGSOOPFHSA-N -1 3 371.445 0.982 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588507893 1282551517 /nfs/dbraw/zinc/55/15/17/1282551517.db2.gz MAAQQCHSAUMFDH-UGSOOPFHSA-N -1 3 371.445 0.982 20 30 FCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001588516341 1282555453 /nfs/dbraw/zinc/55/54/53/1282555453.db2.gz VXMNFOVGLFDFAQ-SECBINFHSA-N -1 3 353.346 0.077 20 30 FCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001588516341 1282555460 /nfs/dbraw/zinc/55/54/60/1282555460.db2.gz VXMNFOVGLFDFAQ-SECBINFHSA-N -1 3 353.346 0.077 20 30 FCEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001588525939 1282558073 /nfs/dbraw/zinc/55/80/73/1282558073.db2.gz NRQQVBGFGJXZIT-CNXAATOLSA-N -1 3 369.429 0.984 20 30 FCEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001588525939 1282558082 /nfs/dbraw/zinc/55/80/82/1282558082.db2.gz NRQQVBGFGJXZIT-CNXAATOLSA-N -1 3 369.429 0.984 20 30 FCEDHM C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588525750 1282559368 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3 355.402 0.866 20 30 FCEDHM C=CCn1nnnc1SCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588717280 1282662768 /nfs/dbraw/zinc/66/27/68/1282662768.db2.gz XKYIJWDYLSNKIX-UHFFFAOYSA-N -1 3 357.403 0.448 20 30 FCEDHM C=CCn1nnnc1SCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588717280 1282662780 /nfs/dbraw/zinc/66/27/80/1282662780.db2.gz XKYIJWDYLSNKIX-UHFFFAOYSA-N -1 3 357.403 0.448 20 30 FCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001588718294 1282664214 /nfs/dbraw/zinc/66/42/14/1282664214.db2.gz GWLSHXPDJBUSHE-BZPMIXESSA-N -1 3 373.417 0.084 20 30 FCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001588718294 1282664228 /nfs/dbraw/zinc/66/42/28/1282664228.db2.gz GWLSHXPDJBUSHE-BZPMIXESSA-N -1 3 373.417 0.084 20 30 FCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588725680 1282676936 /nfs/dbraw/zinc/67/69/36/1282676936.db2.gz LBCORNFGKQZKDM-CZXHOFHRSA-N -1 3 371.401 0.163 20 30 FCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588725680 1282676951 /nfs/dbraw/zinc/67/69/51/1282676951.db2.gz LBCORNFGKQZKDM-CZXHOFHRSA-N -1 3 371.401 0.163 20 30 FCEDHM CC#CCCCC(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588738107 1282678895 /nfs/dbraw/zinc/67/88/95/1282678895.db2.gz RMSPDZMNWLQFMP-LBPRGKRZSA-N -1 3 369.429 0.965 20 30 FCEDHM CC#CCCCC(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588738107 1282678908 /nfs/dbraw/zinc/67/89/08/1282678908.db2.gz RMSPDZMNWLQFMP-LBPRGKRZSA-N -1 3 369.429 0.965 20 30 FCEDHM CC#CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588740698 1282683322 /nfs/dbraw/zinc/68/33/22/1282683322.db2.gz VLUIXEBGZDHYQO-GFCCVEGCSA-N -1 3 357.418 0.965 20 30 FCEDHM CC#CCCCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588740698 1282683331 /nfs/dbraw/zinc/68/33/31/1282683331.db2.gz VLUIXEBGZDHYQO-GFCCVEGCSA-N -1 3 357.418 0.965 20 30 FCEDHM CC#CCN1CC(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001588747493 1282686872 /nfs/dbraw/zinc/68/68/72/1282686872.db2.gz JEZYDHNSORUIIT-UHFFFAOYSA-N -1 3 369.429 0.524 20 30 FCEDHM CC#CCN1CC(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001588747493 1282686883 /nfs/dbraw/zinc/68/68/83/1282686883.db2.gz JEZYDHNSORUIIT-UHFFFAOYSA-N -1 3 369.429 0.524 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588926804 1282730163 /nfs/dbraw/zinc/73/01/63/1282730163.db2.gz WPFYLHYJGLVMSF-PWSUYJOCSA-N -1 3 356.390 0.417 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCOCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588929074 1282730857 /nfs/dbraw/zinc/73/08/57/1282730857.db2.gz INXQSYIHFREHKE-NSHDSACASA-N -1 3 361.381 0.734 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCOCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588929074 1282730864 /nfs/dbraw/zinc/73/08/64/1282730864.db2.gz INXQSYIHFREHKE-NSHDSACASA-N -1 3 361.381 0.734 20 30 FCEDHM C[C@@H](C(=O)N(C)CCC#N)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588940763 1282735380 /nfs/dbraw/zinc/73/53/80/1282735380.db2.gz SIHTWGKDQBHJIW-WFASDCNBSA-N -1 3 357.418 0.592 20 30 FCEDHM C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588940761 1282735942 /nfs/dbraw/zinc/73/59/42/1282735942.db2.gz SIHTWGKDQBHJIW-IUODEOHRSA-N -1 3 357.418 0.592 20 30 FCEDHM CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604268931 1287596325 /nfs/dbraw/zinc/59/63/25/1287596325.db2.gz XAQYAPHKOWROGV-BXUZGUMPSA-N -1 3 355.402 0.532 20 30 FCEDHM CC(C)(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589068346 1282791293 /nfs/dbraw/zinc/79/12/93/1282791293.db2.gz PWZYBPATBDBGGY-GOSISDBHSA-N -1 3 369.429 0.965 20 30 FCEDHM CC(C)(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589068346 1282791301 /nfs/dbraw/zinc/79/13/01/1282791301.db2.gz PWZYBPATBDBGGY-GOSISDBHSA-N -1 3 369.429 0.965 20 30 FCEDHM CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604268933 1287597437 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MELUBFJIKKYTHP-OCCSQVGLSA-N -1 3 358.377 0.331 20 30 FCEDHM CC(C)C#CC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589387953 1282867824 /nfs/dbraw/zinc/86/78/24/1282867824.db2.gz QQLUQJUWPYFCKI-SFHVURJKSA-N -1 3 369.429 0.823 20 30 FCEDHM CC(C)C#CC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589387953 1282867841 /nfs/dbraw/zinc/86/78/41/1282867841.db2.gz QQLUQJUWPYFCKI-SFHVURJKSA-N -1 3 369.429 0.823 20 30 FCEDHM C[C@@H](CC(=O)NCCc1cnoc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001640627003 1282884800 /nfs/dbraw/zinc/88/48/00/1282884800.db2.gz HCFKIJXDNPOXMP-NSHDSACASA-N -1 3 362.411 0.851 20 30 FCEDHM C[C@@H](CCCNC(=O)C#CC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589808522 1283024601 /nfs/dbraw/zinc/02/46/01/1283024601.db2.gz DQDUYGGWBKEJRV-NSHDSACASA-N -1 3 355.402 0.623 20 30 FCEDHM C[C@@H](CCCNC(=O)C#CC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589808522 1283024593 /nfs/dbraw/zinc/02/45/93/1283024593.db2.gz DQDUYGGWBKEJRV-NSHDSACASA-N -1 3 355.402 0.623 20 30 FCEDHM 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C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)N1CC#N ZINC001590310426 1283455063 /nfs/dbraw/zinc/45/50/63/1283455063.db2.gz RHWTTXNSTBHNKX-VXGBXAGGSA-N -1 3 361.431 0.474 20 30 FCEDHM CC[C@H](C)NC(=O)CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590412234 1283527563 /nfs/dbraw/zinc/52/75/63/1283527563.db2.gz HZWBDKYZDSKPKV-SWLSCSKDSA-N -1 3 369.429 0.970 20 30 FCEDHM CCC1=C(C(=O)C(=O)OC)[C@H](c2cccc(-c3nnn[n-]3)c2)NC(=S)N1 ZINC001590499549 1283568172 /nfs/dbraw/zinc/56/81/72/1283568172.db2.gz LRSAOKSURLXHRY-LBPRGKRZSA-N -1 3 372.410 0.792 20 30 FCEDHM CCC1=C(C(=O)C(=O)OC)[C@H](c2cccc(-c3nn[n-]n3)c2)NC(=S)N1 ZINC001590499549 1283568178 /nfs/dbraw/zinc/56/81/78/1283568178.db2.gz LRSAOKSURLXHRY-LBPRGKRZSA-N -1 3 372.410 0.792 20 30 FCEDHM CCOC(=O)CC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001590760585 1283820590 /nfs/dbraw/zinc/82/05/90/1283820590.db2.gz XCHOZUPNXCULCD-ZETCQYMHSA-N -1 3 361.387 0.718 20 30 FCEDHM CCOC(=O)CC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 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N#Cc1cc(NC(=O)c2cn(C3CCOCC3)nn2)ccc1-c1nnn[n-]1 ZINC001606361302 1288273853 /nfs/dbraw/zinc/27/38/53/1288273853.db2.gz MCPDJCJWPJBKDS-UHFFFAOYSA-N -1 3 365.357 0.934 20 30 FCEDHM N#Cc1cc(NC(=O)c2cn(C3CCOCC3)nn2)ccc1-c1nn[n-]n1 ZINC001606361302 1288273858 /nfs/dbraw/zinc/27/38/58/1288273858.db2.gz MCPDJCJWPJBKDS-UHFFFAOYSA-N -1 3 365.357 0.934 20 30 FCEDHM N#Cc1cccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC001606381545 1288280568 /nfs/dbraw/zinc/28/05/68/1288280568.db2.gz CAZCECYLZYOZQV-UHFFFAOYSA-N -1 3 350.346 0.762 20 30 FCEDHM N#Cc1cccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC001606381545 1288280575 /nfs/dbraw/zinc/28/05/75/1288280575.db2.gz CAZCECYLZYOZQV-UHFFFAOYSA-N -1 3 350.346 0.762 20 30 FCEDHM N#Cc1ccccc1OCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001606384720 1288281610 /nfs/dbraw/zinc/28/16/10/1288281610.db2.gz DDXUOZPHFKANRM-UHFFFAOYSA-N -1 3 366.341 0.483 20 30 FCEDHM N#Cc1ccccc1OCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001606384720 1288281615 /nfs/dbraw/zinc/28/16/15/1288281615.db2.gz DDXUOZPHFKANRM-UHFFFAOYSA-N -1 3 366.341 0.483 20 30 FCEDHM N#Cc1ncc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1C#N ZINC001606397629 1288286635 /nfs/dbraw/zinc/28/66/35/1288286635.db2.gz WCFZWWFDQCQYCO-UHFFFAOYSA-N -1 3 359.357 0.122 20 30 FCEDHM N#Cc1ncc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1C#N ZINC001606397629 1288286639 /nfs/dbraw/zinc/28/66/39/1288286639.db2.gz WCFZWWFDQCQYCO-UHFFFAOYSA-N -1 3 359.357 0.122 20 30 FCEDHM N#Cc1ccccc1OC[C@@H](O)CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001608219126 1288791770 /nfs/dbraw/zinc/79/17/70/1288791770.db2.gz LGCIDGLELPJNSR-KBPBESRZSA-N -1 3 357.370 0.535 20 30 FCEDHM O=C([O-])C[C@@]1(NCC#CCN2C(=O)c3ccccc3C2=O)CCCOC1 ZINC001608686482 1288865031 /nfs/dbraw/zinc/86/50/31/1288865031.db2.gz GRRNWXLJJRAXFE-IBGZPJMESA-N -1 3 356.378 0.900 20 30 FCEDHM C#C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCCO1 ZINC001609019284 1288881795 /nfs/dbraw/zinc/88/17/95/1288881795.db2.gz QMHAEDPJLMRYEJ-UONOGXRCSA-N -1 3 365.390 0.606 20 30 FCEDHM C#C[C@@H]1COCCN1[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001609020144 1288881863 /nfs/dbraw/zinc/88/18/63/1288881863.db2.gz SLFSKXDVEXVDPW-GDBMZVCRSA-N -1 3 352.398 0.696 20 30 FCEDHM C#C[C@@H]1COCCN1[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609020144 1288881871 /nfs/dbraw/zinc/88/18/71/1288881871.db2.gz SLFSKXDVEXVDPW-GDBMZVCRSA-N -1 3 352.398 0.696 20 30 FCEDHM C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609020152 1288882675 /nfs/dbraw/zinc/88/26/75/1288882675.db2.gz SOQJFMWMQURFNF-SNVBAGLBSA-N -1 3 362.777 0.349 20 30 FCEDHM C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609020152 1288882676 /nfs/dbraw/zinc/88/26/76/1288882676.db2.gz SOQJFMWMQURFNF-SNVBAGLBSA-N -1 3 362.777 0.349 20 30 FCEDHM C#C[C@@H]1COCCN1C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001609019995 1288882772 /nfs/dbraw/zinc/88/27/72/1288882772.db2.gz NSATYURCILVLMH-GFCCVEGCSA-N -1 3 365.357 0.313 20 30 FCEDHM C#C[C@@H]1COCCN1C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001609019995 1288882774 /nfs/dbraw/zinc/88/27/74/1288882774.db2.gz NSATYURCILVLMH-GFCCVEGCSA-N -1 3 365.357 0.313 20 30 FCEDHM C=CCNC(=O)NC(=O)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609058684 1288891286 /nfs/dbraw/zinc/89/12/86/1288891286.db2.gz ODWLDSMOQJBZJZ-JTQLQIEISA-N -1 3 374.357 0.189 20 30 FCEDHM C=CCNC(=O)NC(=O)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609058684 1288891296 /nfs/dbraw/zinc/89/12/96/1288891296.db2.gz ODWLDSMOQJBZJZ-JTQLQIEISA-N -1 3 374.357 0.189 20 30 FCEDHM C=CCN1C(=O)C(=O)N(Cc2cn3ccccc3c2-c2nnn[n-]2)C1=O ZINC001609057360 1288891758 /nfs/dbraw/zinc/89/17/58/1288891758.db2.gz NJUDMGIYHWOIBG-UHFFFAOYSA-N -1 3 351.326 0.596 20 30 FCEDHM C=CCN1C(=O)C(=O)N(Cc2cn3ccccc3c2-c2nn[n-]n2)C1=O ZINC001609057360 1288891761 /nfs/dbraw/zinc/89/17/61/1288891761.db2.gz NJUDMGIYHWOIBG-UHFFFAOYSA-N -1 3 351.326 0.596 20 30 FCEDHM C=CCOC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC001609059240 1288892807 /nfs/dbraw/zinc/89/28/07/1288892807.db2.gz ZXGQNTNFIFCZBH-JTQLQIEISA-N -1 3 366.765 0.389 20 30 FCEDHM C=CCOC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC001609059240 1288892810 /nfs/dbraw/zinc/89/28/10/1288892810.db2.gz ZXGQNTNFIFCZBH-JTQLQIEISA-N -1 3 366.765 0.389 20 30 FCEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001609058969 1288892814 /nfs/dbraw/zinc/89/28/14/1288892814.db2.gz HEFNQQZNPORTAR-UHFFFAOYSA-N -1 3 362.415 0.849 20 30 FCEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001609058969 1288892817 /nfs/dbraw/zinc/89/28/17/1288892817.db2.gz HEFNQQZNPORTAR-UHFFFAOYSA-N -1 3 362.415 0.849 20 30 FCEDHM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609059604 1288892930 /nfs/dbraw/zinc/89/29/30/1288892930.db2.gz AKQQGRYQGHJKAE-JTQLQIEISA-N -1 3 355.807 0.573 20 30 FCEDHM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001609059604 1288892931 /nfs/dbraw/zinc/89/29/31/1288892931.db2.gz AKQQGRYQGHJKAE-JTQLQIEISA-N -1 3 355.807 0.573 20 30 FCEDHM C=CCNC(=O)CNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609058746 1288893021 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352.362 0.163 20 30 FCEDHM C[C@@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609117019 1288927871 /nfs/dbraw/zinc/92/78/71/1288927871.db2.gz GXAMHEWIKYIMTL-HWPZZCPQSA-N -1 3 357.349 0.508 20 30 FCEDHM C[C@@H](NC(=O)C(=O)N1CC[C@](F)(C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609117019 1288927879 /nfs/dbraw/zinc/92/78/79/1288927879.db2.gz GXAMHEWIKYIMTL-HWPZZCPQSA-N -1 3 357.349 0.508 20 30 FCEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1(C#N)CCC1 ZINC001609134578 1288941534 /nfs/dbraw/zinc/94/15/34/1288941534.db2.gz NUKCVJGIBFLMSG-LLVKDONJSA-N -1 3 370.369 0.740 20 30 FCEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC001609141027 1288945021 /nfs/dbraw/zinc/94/50/21/1288945021.db2.gz ZJLMXNXGYVYHLE-JTQLQIEISA-N -1 3 366.385 0.333 20 30 FCEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC001609141027 1288945024 /nfs/dbraw/zinc/94/50/24/1288945024.db2.gz ZJLMXNXGYVYHLE-JTQLQIEISA-N -1 3 366.385 0.333 20 30 FCEDHM N#C[C@@H]1COCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001609495238 1289178481 /nfs/dbraw/zinc/17/84/81/1289178481.db2.gz YTJSPPFOXMIXSO-LLVKDONJSA-N -1 3 352.351 0.060 20 30 FCEDHM N#C[C@@H]1COCCN1S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001609495238 1289178483 /nfs/dbraw/zinc/17/84/83/1289178483.db2.gz YTJSPPFOXMIXSO-LLVKDONJSA-N -1 3 352.351 0.060 20 30 FCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC001609494088 1289178542 /nfs/dbraw/zinc/17/85/42/1289178542.db2.gz XQIPECFULMMKFW-JSGCOSHPSA-N -1 3 374.426 0.100 20 30 FCEDHM N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609494106 1289178760 /nfs/dbraw/zinc/17/87/60/1289178760.db2.gz VTTXNUNVALNROV-AWEZNQCLSA-N -1 3 363.740 0.923 20 30 FCEDHM N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609494106 1289178762 /nfs/dbraw/zinc/17/87/62/1289178762.db2.gz VTTXNUNVALNROV-AWEZNQCLSA-N -1 3 363.740 0.923 20 30 FCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001609494126 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C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574554207 1271350711 /nfs/dbraw/zinc/35/07/11/1271350711.db2.gz RUWAPLSWSDNXDP-UWVGGRQHSA-N -1 3 366.389 0.865 20 30 FCEDHM C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574811475 1271552514 /nfs/dbraw/zinc/55/25/14/1271552514.db2.gz RDBQGEWQBJTYGH-VIFPVBQESA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574811475 1271552522 /nfs/dbraw/zinc/55/25/22/1271552522.db2.gz RDBQGEWQBJTYGH-VIFPVBQESA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN(c2cnc(C#N)cn2)C1 ZINC001575825315 1272486204 /nfs/dbraw/zinc/48/62/04/1272486204.db2.gz ICDMBDJYIHMKLM-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN(c2cnc(C#N)cn2)C1 ZINC001575825315 1272486206 /nfs/dbraw/zinc/48/62/06/1272486206.db2.gz ICDMBDJYIHMKLM-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM 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JTOUTHVXKIGIRO-CYBMUJFWSA-N -1 3 370.369 0.205 20 30 FCEDHM COC(=O)C1(C#N)CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001579436378 1277308574 /nfs/dbraw/zinc/30/85/74/1277308574.db2.gz PCLABSJEVFAOBL-UHFFFAOYSA-N -1 3 369.385 0.584 20 30 FCEDHM COC(=O)c1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001579479894 1277387552 /nfs/dbraw/zinc/38/75/52/1277387552.db2.gz ZAKFYMKBZCGNEM-LLVKDONJSA-N -1 3 367.325 0.962 20 30 FCEDHM COCC#CCN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001579618175 1277663509 /nfs/dbraw/zinc/66/35/09/1277663509.db2.gz JDGIFDQKWUVITB-OCCSQVGLSA-N -1 3 357.418 0.427 20 30 FCEDHM COCC#CCN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001579618175 1277663512 /nfs/dbraw/zinc/66/35/12/1277663512.db2.gz JDGIFDQKWUVITB-OCCSQVGLSA-N -1 3 357.418 0.427 20 30 FCEDHM COCCN(CCNC(=O)C#CC1CC1)c1ncccc1-c1nnn[n-]1 ZINC001579792469 1277914581 /nfs/dbraw/zinc/91/45/81/1277914581.db2.gz KMJQBWYCOMUWFA-UHFFFAOYSA-N -1 3 355.402 0.244 20 30 FCEDHM COCCN(CCNC(=O)C#CC1CC1)c1ncccc1-c1nn[n-]n1 ZINC001579792469 1277914586 /nfs/dbraw/zinc/91/45/86/1277914586.db2.gz KMJQBWYCOMUWFA-UHFFFAOYSA-N -1 3 355.402 0.244 20 30 FCEDHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001579859892 1277939317 /nfs/dbraw/zinc/93/93/17/1277939317.db2.gz WTZCOVQSPNNXFK-IRUJWGPZSA-N -1 3 359.365 0.485 20 30 FCEDHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001579859892 1277939320 /nfs/dbraw/zinc/93/93/20/1277939320.db2.gz WTZCOVQSPNNXFK-IRUJWGPZSA-N -1 3 359.365 0.485 20 30 FCEDHM COc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1-c1nnn[n-]1 ZINC001580039829 1277997244 /nfs/dbraw/zinc/99/72/44/1277997244.db2.gz CUFWWFSNHFGYBU-UHFFFAOYSA-N -1 3 354.334 0.160 20 30 FCEDHM COc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1-c1nn[n-]n1 ZINC001580039829 1277997250 /nfs/dbraw/zinc/99/72/50/1277997250.db2.gz CUFWWFSNHFGYBU-UHFFFAOYSA-N -1 3 354.334 0.160 20 30 FCEDHM CC(C)C#CC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001603189615 1287326345 /nfs/dbraw/zinc/32/63/45/1287326345.db2.gz QFLSJYPPFKDMMA-CYBMUJFWSA-N -1 3 372.404 0.987 20 30 FCEDHM CC(C)C#CC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001603189615 1287326354 /nfs/dbraw/zinc/32/63/54/1287326354.db2.gz QFLSJYPPFKDMMA-CYBMUJFWSA-N -1 3 372.404 0.987 20 30 FCEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N1CCN(C(=O)CC#N)CC1 ZINC001580931352 1279144639 /nfs/dbraw/zinc/14/46/39/1279144639.db2.gz BKQOJPSVUFWFLP-UHFFFAOYSA-N -1 3 372.364 0.904 20 30 FCEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N1CCN(C(=O)CC#N)CC1 ZINC001580931352 1279144641 /nfs/dbraw/zinc/14/46/41/1279144641.db2.gz BKQOJPSVUFWFLP-UHFFFAOYSA-N -1 3 372.364 0.904 20 30 FCEDHM Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001580987568 1279185000 /nfs/dbraw/zinc/18/50/00/1279185000.db2.gz CGPOVXDTXXNQLN-MNOVXSKESA-N -1 3 365.401 0.811 20 30 FCEDHM Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001580987568 1279185002 /nfs/dbraw/zinc/18/50/02/1279185002.db2.gz CGPOVXDTXXNQLN-MNOVXSKESA-N -1 3 365.401 0.811 20 30 FCEDHM Cc1cc(N[C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C#N)cn1 ZINC001580991168 1279193372 /nfs/dbraw/zinc/19/33/72/1279193372.db2.gz LRHNMYFXHXIFQO-JTQLQIEISA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(N[C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C#N)cn1 ZINC001580991168 1279193376 /nfs/dbraw/zinc/19/33/76/1279193376.db2.gz LRHNMYFXHXIFQO-JTQLQIEISA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(NCC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001581026234 1279259277 /nfs/dbraw/zinc/25/92/77/1279259277.db2.gz LEDAWUOYFOMRAY-JTQLQIEISA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(NCC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001581026234 1279259280 /nfs/dbraw/zinc/25/92/80/1279259280.db2.gz LEDAWUOYFOMRAY-JTQLQIEISA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C#N)cn1 ZINC001581030703 1279268373 /nfs/dbraw/zinc/26/83/73/1279268373.db2.gz JJNXVLNOGCYYIZ-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1cc(NC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C#N)cn1 ZINC001581030703 1279268377 /nfs/dbraw/zinc/26/83/77/1279268377.db2.gz JJNXVLNOGCYYIZ-SNVBAGLBSA-N -1 3 351.374 0.422 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001581062423 1279314534 /nfs/dbraw/zinc/31/45/34/1279314534.db2.gz PFYIIDFOKYWRKN-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001581062423 1279314542 /nfs/dbraw/zinc/31/45/42/1279314542.db2.gz PFYIIDFOKYWRKN-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 ZINC001581069398 1279321700 /nfs/dbraw/zinc/32/17/00/1279321700.db2.gz AXDWCALZBWJSOM-LSDHHAIUSA-N -1 3 367.413 0.039 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)n1 ZINC001581069398 1279321706 /nfs/dbraw/zinc/32/17/06/1279321706.db2.gz AXDWCALZBWJSOM-LSDHHAIUSA-N -1 3 367.413 0.039 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001581076094 1279331456 /nfs/dbraw/zinc/33/14/56/1279331456.db2.gz YAZXONLNYZPHQU-APPDUMDISA-N -1 3 370.417 0.177 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001581076094 1279331462 /nfs/dbraw/zinc/33/14/62/1279331462.db2.gz YAZXONLNYZPHQU-APPDUMDISA-N -1 3 370.417 0.177 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581080709 1279337807 /nfs/dbraw/zinc/33/78/07/1279337807.db2.gz NAMSCDPTFWEFIY-CMPLNLGQSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001581080709 1279337812 /nfs/dbraw/zinc/33/78/12/1279337812.db2.gz NAMSCDPTFWEFIY-CMPLNLGQSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001581099040 1279384595 /nfs/dbraw/zinc/38/45/95/1279384595.db2.gz GAQBSCOQMBDITQ-APPDUMDISA-N -1 3 370.417 0.495 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001581099040 1279384607 /nfs/dbraw/zinc/38/46/07/1279384607.db2.gz GAQBSCOQMBDITQ-APPDUMDISA-N -1 3 370.417 0.495 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001581134652 1279437332 /nfs/dbraw/zinc/43/73/32/1279437332.db2.gz AIWIYHCYQDRLAY-LRDDRELGSA-N -1 3 372.410 0.186 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001581134652 1279437337 /nfs/dbraw/zinc/43/73/37/1279437337.db2.gz AIWIYHCYQDRLAY-LRDDRELGSA-N -1 3 372.410 0.186 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001581137831 1279438905 /nfs/dbraw/zinc/43/89/05/1279438905.db2.gz JEAZIFJLMDDIJI-ZDUSSCGKSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001581137831 1279438909 /nfs/dbraw/zinc/43/89/09/1279438909.db2.gz JEAZIFJLMDDIJI-ZDUSSCGKSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cn2)c(C#N)c1 ZINC001581213373 1279509778 /nfs/dbraw/zinc/50/97/78/1279509778.db2.gz OSRSWOQBTIAPJK-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cn2)c(C#N)c1 ZINC001581213373 1279509786 /nfs/dbraw/zinc/50/97/86/1279509786.db2.gz OSRSWOQBTIAPJK-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM C[C@H](CCCNc1ccncc1C#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001603475630 1287383736 /nfs/dbraw/zinc/38/37/36/1287383736.db2.gz OFRFIUKDJXPNGR-LLVKDONJSA-N -1 3 365.401 0.894 20 30 FCEDHM C[C@H](CCCNc1ccncc1C#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001603475630 1287383738 /nfs/dbraw/zinc/38/37/38/1287383738.db2.gz OFRFIUKDJXPNGR-LLVKDONJSA-N -1 3 365.401 0.894 20 30 FCEDHM Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nnn[n-]1 ZINC001581472722 1280011255 /nfs/dbraw/zinc/01/12/55/1280011255.db2.gz GINGOAVLIABYCQ-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nn[n-]n1 ZINC001581472722 1280011262 /nfs/dbraw/zinc/01/12/62/1280011262.db2.gz GINGOAVLIABYCQ-LBPRGKRZSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1nc(N2CCO[C@H](CNC(=O)[C@@H](C)C#N)C2)ccc1-c1nn[n-]n1 ZINC001581480941 1280019219 /nfs/dbraw/zinc/01/92/19/1280019219.db2.gz MUGALQJPYHFFSX-CMPLNLGQSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)ccc1-c1nnn[n-]1 ZINC001581485229 1280027201 /nfs/dbraw/zinc/02/72/01/1280027201.db2.gz XSWFBPNSHLKVRU-HALDLXJZSA-N -1 3 351.414 0.780 20 30 FCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)ccc1-c1nn[n-]n1 ZINC001581485229 1280027206 /nfs/dbraw/zinc/02/72/06/1280027206.db2.gz XSWFBPNSHLKVRU-HALDLXJZSA-N -1 3 351.414 0.780 20 30 FCEDHM Cc1nc(N[C@]2(CO)CCCN(C(=O)[C@H](C)C#N)C2)ccc1-c1nn[n-]n1 ZINC001581498931 1280049278 /nfs/dbraw/zinc/04/92/78/1280049278.db2.gz PCFOMHBBEAZIDO-PIGZYNQJSA-N -1 3 370.417 0.495 20 30 FCEDHM C[C@H](CNC(=O)CSCC#N)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001603535265 1287411465 /nfs/dbraw/zinc/41/14/65/1287411465.db2.gz QHFGICKJJAXCTL-MRVPVSSYSA-N -1 3 350.383 0.574 20 30 FCEDHM C[C@H](CNC(=O)CSCC#N)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001603535265 1287411470 /nfs/dbraw/zinc/41/14/70/1287411470.db2.gz QHFGICKJJAXCTL-MRVPVSSYSA-N -1 3 350.383 0.574 20 30 FCEDHM Cc1onc(CC(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)c1C#N ZINC001581739802 1280445544 /nfs/dbraw/zinc/44/55/44/1280445544.db2.gz YYOHYKQTWDCGBC-UHFFFAOYSA-N -1 3 364.369 0.900 20 30 FCEDHM Cc1onc(CC(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)c1C#N ZINC001581739802 1280445551 /nfs/dbraw/zinc/44/55/51/1280445551.db2.gz YYOHYKQTWDCGBC-UHFFFAOYSA-N -1 3 364.369 0.900 20 30 FCEDHM N#CCNC(=O)CNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001581858133 1280607542 /nfs/dbraw/zinc/60/75/42/1280607542.db2.gz SAEQYNGACCEBQL-CYBMUJFWSA-N -1 3 354.374 0.183 20 30 FCEDHM N#CCNC(=O)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001581858133 1280607547 /nfs/dbraw/zinc/60/75/47/1280607547.db2.gz SAEQYNGACCEBQL-CYBMUJFWSA-N -1 3 354.374 0.183 20 30 FCEDHM N#CCSCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001581858456 1280608561 /nfs/dbraw/zinc/60/85/61/1280608561.db2.gz GXSKMAPXICHKSV-SNVBAGLBSA-N -1 3 361.406 0.957 20 30 FCEDHM N#CCSCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001581858456 1280608570 /nfs/dbraw/zinc/60/85/70/1280608570.db2.gz GXSKMAPXICHKSV-SNVBAGLBSA-N -1 3 361.406 0.957 20 30 FCEDHM N#CCSCC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001581858362 1280608714 /nfs/dbraw/zinc/60/87/14/1280608714.db2.gz CGEKLIAXRYHAEH-SECBINFHSA-N -1 3 365.394 0.152 20 30 FCEDHM N#CCSCC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001581858362 1280608725 /nfs/dbraw/zinc/60/87/25/1280608725.db2.gz CGEKLIAXRYHAEH-SECBINFHSA-N -1 3 365.394 0.152 20 30 FCEDHM N#CCSCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001581858645 1280611343 /nfs/dbraw/zinc/61/13/43/1280611343.db2.gz PBFNWCJIODQJJR-GFCCVEGCSA-N -1 3 374.430 0.076 20 30 FCEDHM N#CCSCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001581858645 1280611357 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N#CCSCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001592681899 1285580377 /nfs/dbraw/zinc/58/03/77/1285580377.db2.gz LCSPCUPXZQFFDN-LBPRGKRZSA-N -1 3 358.383 0.772 20 30 FCEDHM N#CCSCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001592681899 1285580379 /nfs/dbraw/zinc/58/03/79/1285580379.db2.gz LCSPCUPXZQFFDN-LBPRGKRZSA-N -1 3 358.383 0.772 20 30 FCEDHM N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001592681746 1285580777 /nfs/dbraw/zinc/58/07/77/1285580777.db2.gz ZZROJKQKCOWELQ-JOYOIKCWSA-N -1 3 357.349 0.430 20 30 FCEDHM N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001592681746 1285580786 /nfs/dbraw/zinc/58/07/86/1285580786.db2.gz ZZROJKQKCOWELQ-JOYOIKCWSA-N -1 3 357.349 0.430 20 30 FCEDHM N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001592681733 1285582227 /nfs/dbraw/zinc/58/22/27/1285582227.db2.gz ZNCQLKMAKNBOGK-GXTWGEPZSA-N -1 3 367.417 0.786 20 30 FCEDHM N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 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350.346 0.762 20 30 FCEDHM N#Cc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1-c1nnn[n-]1 ZINC001592695355 1285588496 /nfs/dbraw/zinc/58/84/96/1285588496.db2.gz NOWPEONNAWSKDT-ZDUSSCGKSA-N -1 3 372.410 0.892 20 30 FCEDHM N#Cc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1-c1nn[n-]n1 ZINC001592695355 1285588500 /nfs/dbraw/zinc/58/85/00/1285588500.db2.gz NOWPEONNAWSKDT-ZDUSSCGKSA-N -1 3 372.410 0.892 20 30 FCEDHM N#Cc1cnn2c1[nH]c(COC(=O)c1ccc(-c3nnn[n-]3)cn1)cc2=O ZINC001592703862 1285590407 /nfs/dbraw/zinc/59/04/07/1285590407.db2.gz FEOWGFGRBFOTHG-UHFFFAOYSA-N -1 3 363.297 0.239 20 30 FCEDHM N#Cc1cnn2c1[nH]c(COC(=O)c1ccc(-c3nn[n-]n3)cn1)cc2=O ZINC001592703862 1285590412 /nfs/dbraw/zinc/59/04/12/1285590412.db2.gz FEOWGFGRBFOTHG-UHFFFAOYSA-N -1 3 363.297 0.239 20 30 FCEDHM N#Cc1cccn(CN2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)c1=O ZINC001592703279 1285590677 /nfs/dbraw/zinc/59/06/77/1285590677.db2.gz ZPDDRMLUCGSJAA-INIZCTEOSA-N -1 3 363.381 0.931 20 30 FCEDHM 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353.386 0.377 20 30 FCEDHM O=C(C#CC1CC1)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001592766669 1285689241 /nfs/dbraw/zinc/68/92/41/1285689241.db2.gz QJFJQQPEWPFUTG-UHFFFAOYSA-N -1 3 353.386 0.377 20 30 FCEDHM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592767543 1285690401 /nfs/dbraw/zinc/69/04/01/1285690401.db2.gz CMAXBDLFXRDUNB-GXTWGEPZSA-N -1 3 367.413 0.623 20 30 FCEDHM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592767543 1285690411 /nfs/dbraw/zinc/69/04/11/1285690411.db2.gz CMAXBDLFXRDUNB-GXTWGEPZSA-N -1 3 367.413 0.623 20 30 FCEDHM O=C(C#CC1CC1)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001592768425 1285692380 /nfs/dbraw/zinc/69/23/80/1285692380.db2.gz JCPGTTKBKZIFFW-CQSZACIVSA-N -1 3 367.413 0.387 20 30 FCEDHM O=C(C#CC1CC1)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001592768425 1285692392 /nfs/dbraw/zinc/69/23/92/1285692392.db2.gz JCPGTTKBKZIFFW-CQSZACIVSA-N -1 3 367.413 0.387 20 30 FCEDHM 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C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)O2 ZINC001602762997 1287106762 /nfs/dbraw/zinc/10/67/62/1287106762.db2.gz SFPOHEAVZKWESK-GFCCVEGCSA-N -1 3 357.418 0.734 20 30 FCEDHM C=C(C)CN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001602762997 1287106766 /nfs/dbraw/zinc/10/67/66/1287106766.db2.gz SFPOHEAVZKWESK-GFCCVEGCSA-N -1 3 357.418 0.734 20 30 FCEDHM C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001602762818 1287106821 /nfs/dbraw/zinc/10/68/21/1287106821.db2.gz JSOJGXHHDLMLGH-ZDUSSCGKSA-N -1 3 357.418 0.734 20 30 FCEDHM C=C(C)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001602762818 1287106829 /nfs/dbraw/zinc/10/68/29/1287106829.db2.gz JSOJGXHHDLMLGH-ZDUSSCGKSA-N -1 3 357.418 0.734 20 30 FCEDHM C=C1CC(C)(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001602773338 1287110898 /nfs/dbraw/zinc/11/08/98/1287110898.db2.gz VLNTYAWGQSCYBN-UHFFFAOYSA-N -1 3 355.402 0.930 20 30 FCEDHM 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C=CCCN(C)C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602839595 1287130602 /nfs/dbraw/zinc/13/06/02/1287130602.db2.gz CKMOURKTSVQFMG-UHFFFAOYSA-N -1 3 350.404 0.180 20 30 FCEDHM C=CCCOCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001602843923 1287132368 /nfs/dbraw/zinc/13/23/68/1287132368.db2.gz CEQRRVGBVCVYDU-KRWDZBQOSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCCOCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001602843923 1287132370 /nfs/dbraw/zinc/13/23/70/1287132370.db2.gz CEQRRVGBVCVYDU-KRWDZBQOSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC001602846863 1287135841 /nfs/dbraw/zinc/13/58/41/1287135841.db2.gz AOQCUTGVEBUJPM-SNVBAGLBSA-N -1 3 350.404 0.021 20 30 FCEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC001602846863 1287135848 /nfs/dbraw/zinc/13/58/48/1287135848.db2.gz AOQCUTGVEBUJPM-SNVBAGLBSA-N -1 3 350.404 0.021 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H](CC)COC ZINC001602854222 1287138510 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FCEDHM Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1-c1nnn[n-]1 ZINC001580923110 1279131249 /nfs/dbraw/zinc/13/12/49/1279131249.db2.gz IYJRDBZRQDDRRK-BBRMVZONSA-N -1 3 358.427 0.545 20 30 FCEDHM Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1-c1nn[n-]n1 ZINC001580923110 1279131256 /nfs/dbraw/zinc/13/12/56/1279131256.db2.gz IYJRDBZRQDDRRK-BBRMVZONSA-N -1 3 358.427 0.545 20 30 FCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccncc1C#N ZINC001603215888 1287333198 /nfs/dbraw/zinc/33/31/98/1287333198.db2.gz NXPNSCJUJKJFTD-OAHLLOKOSA-N -1 3 365.401 0.750 20 30 FCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccncc1C#N ZINC001603215888 1287333209 /nfs/dbraw/zinc/33/32/09/1287333209.db2.gz NXPNSCJUJKJFTD-OAHLLOKOSA-N -1 3 365.401 0.750 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1cnc(C#N)cn1 ZINC001603219586 1287334524 /nfs/dbraw/zinc/33/45/24/1287334524.db2.gz LPRRDJLLWSPTNA-ZDUSSCGKSA-N -1 3 366.389 0.723 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1cnc(C#N)cn1 ZINC001603219586 1287334529 /nfs/dbraw/zinc/33/45/29/1287334529.db2.gz LPRRDJLLWSPTNA-ZDUSSCGKSA-N -1 3 366.389 0.723 20 30 FCEDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C#N)cn1 ZINC001581038133 1279275046 /nfs/dbraw/zinc/27/50/46/1279275046.db2.gz DOUAWWOAFPQASJ-BETUJISGSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C#N)cn1 ZINC001581038133 1279275048 /nfs/dbraw/zinc/27/50/48/1279275048.db2.gz DOUAWWOAFPQASJ-BETUJISGSA-N -1 3 363.385 0.565 20 30 FCEDHM Cc1nc(N[C@]2(CO)CCCN(C(=O)[C@@H](C)C#N)C2)ccc1-c1nn[n-]n1 ZINC001581498928 1280048526 /nfs/dbraw/zinc/04/85/26/1280048526.db2.gz PCFOMHBBEAZIDO-APPDUMDISA-N -1 3 370.417 0.495 20 30 FCEDHM Cc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)ccc1-c1nnn[n-]1 ZINC001581522081 1280074776 /nfs/dbraw/zinc/07/47/76/1280074776.db2.gz UGSBCHRGAOPVDZ-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)ccc1-c1nn[n-]n1 ZINC001581522081 1280074784 /nfs/dbraw/zinc/07/47/84/1280074784.db2.gz UGSBCHRGAOPVDZ-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1nsc(NC(=O)N2CCN(C(=O)CC#N)CC2)c1-c1nnn[n-]1 ZINC001581686105 1280391948 /nfs/dbraw/zinc/39/19/48/1280391948.db2.gz ZOLNMUXAWFTFEO-UHFFFAOYSA-N -1 3 361.391 0.221 20 30 FCEDHM Cn1cncc1[C@@H](CO)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581814336 1280558684 /nfs/dbraw/zinc/55/86/84/1280558684.db2.gz IMDGYUXCMCZSIG-UONOGXRCSA-N -1 3 366.385 0.132 20 30 FCEDHM N#CC1(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001581857152 1280607406 /nfs/dbraw/zinc/60/74/06/1280607406.db2.gz QWRFCFROCQRKOP-UHFFFAOYSA-N -1 3 362.415 0.606 20 30 FCEDHM N#CC1(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001581857152 1280607411 /nfs/dbraw/zinc/60/74/11/1280607411.db2.gz QWRFCFROCQRKOP-UHFFFAOYSA-N -1 3 362.415 0.606 20 30 FCEDHM N#C[C@]1(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCCOC1 ZINC001581857289 1280609325 /nfs/dbraw/zinc/60/93/25/1280609325.db2.gz WSGSLJTWFJFWCH-MRXNPFEDSA-N -1 3 365.357 0.706 20 30 FCEDHM N#C[C@]1(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCCOC1 ZINC001581857289 1280609333 /nfs/dbraw/zinc/60/93/33/1280609333.db2.gz WSGSLJTWFJFWCH-MRXNPFEDSA-N -1 3 365.357 0.706 20 30 FCEDHM N#C[C@@]1(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)CCCOC1 ZINC001581857180 1280609411 /nfs/dbraw/zinc/60/94/11/1280609411.db2.gz RYLWULXHJSQEFV-HNNXBMFYSA-N -1 3 359.415 0.715 20 30 FCEDHM N#C[C@@]1(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)CCCOC1 ZINC001581857180 1280609415 /nfs/dbraw/zinc/60/94/15/1280609415.db2.gz RYLWULXHJSQEFV-HNNXBMFYSA-N -1 3 359.415 0.715 20 30 FCEDHM N#Cc1n[nH]cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001581860924 1280612948 /nfs/dbraw/zinc/61/29/48/1280612948.db2.gz ZUDWHHWHEPQEIM-SNVBAGLBSA-N -1 3 363.341 0.453 20 30 FCEDHM N#Cc1n[nH]cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001581860924 1280612952 /nfs/dbraw/zinc/61/29/52/1280612952.db2.gz ZUDWHHWHEPQEIM-SNVBAGLBSA-N -1 3 363.341 0.453 20 30 FCEDHM N#Cc1c(NC(=O)COc2cccc(-c3nnn[n-]3)c2)nc2n1CCOC2 ZINC001581861112 1280614257 /nfs/dbraw/zinc/61/42/57/1280614257.db2.gz JJORWFZZYIUEKS-UHFFFAOYSA-N -1 3 366.341 0.483 20 30 FCEDHM N#Cc1c(NC(=O)COc2cccc(-c3nn[n-]n3)c2)nc2n1CCOC2 ZINC001581861112 1280614265 /nfs/dbraw/zinc/61/42/65/1280614265.db2.gz JJORWFZZYIUEKS-UHFFFAOYSA-N -1 3 366.341 0.483 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001581863521 1280615411 /nfs/dbraw/zinc/61/54/11/1280615411.db2.gz SLAGOAKZGBVVAC-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001581863521 1280615419 /nfs/dbraw/zinc/61/54/19/1280615419.db2.gz SLAGOAKZGBVVAC-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001581863371 1280615607 /nfs/dbraw/zinc/61/56/07/1280615607.db2.gz KLFANYUQHVECKQ-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001581863371 1280615616 /nfs/dbraw/zinc/61/56/16/1280615616.db2.gz KLFANYUQHVECKQ-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2CCN(C3CCC3)C2=O)nc1N ZINC001581863602 1280615714 /nfs/dbraw/zinc/61/57/14/1280615714.db2.gz XQZQBIJMFHWYIT-LLVKDONJSA-N -1 3 356.415 0.961 20 30 FCEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCN(C3CCC3)C2=O)nc1N ZINC001581863602 1280615720 /nfs/dbraw/zinc/61/57/20/1280615720.db2.gz XQZQBIJMFHWYIT-LLVKDONJSA-N -1 3 356.415 0.961 20 30 FCEDHM N#Cc1cc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)c[nH]1 ZINC001581863377 1280615802 /nfs/dbraw/zinc/61/58/02/1280615802.db2.gz KZJGHBRJDOUFIY-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1cc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)c[nH]1 ZINC001581863377 1280615808 /nfs/dbraw/zinc/61/58/08/1280615808.db2.gz KZJGHBRJDOUFIY-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1cc(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)c[nH]1 ZINC001581863610 1280616611 /nfs/dbraw/zinc/61/66/11/1280616611.db2.gz XZVDYTUOZBBZCP-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1cc(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)c[nH]1 ZINC001581863610 1280616621 /nfs/dbraw/zinc/61/66/21/1280616621.db2.gz XZVDYTUOZBBZCP-UHFFFAOYSA-N -1 3 367.373 0.008 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581865341 1280618738 /nfs/dbraw/zinc/61/87/38/1280618738.db2.gz ICFHLDLDNIUIEL-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581865341 1280618742 /nfs/dbraw/zinc/61/87/42/1280618742.db2.gz ICFHLDLDNIUIEL-NSHDSACASA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1cc(CS(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)cs1 ZINC001581866659 1280619848 /nfs/dbraw/zinc/61/98/48/1280619848.db2.gz OSEYPNHBLKSWLI-UHFFFAOYSA-N -1 3 361.412 0.814 20 30 FCEDHM N#Cc1cc(CS(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)cs1 ZINC001581866659 1280619853 /nfs/dbraw/zinc/61/98/53/1280619853.db2.gz OSEYPNHBLKSWLI-UHFFFAOYSA-N -1 3 361.412 0.814 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)[nH]1 ZINC001581867258 1280620050 /nfs/dbraw/zinc/62/00/50/1280620050.db2.gz AEXDMOZILDXRPN-LLVKDONJSA-N -1 3 367.348 0.609 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)[nH]1 ZINC001581867258 1280620060 /nfs/dbraw/zinc/62/00/60/1280620060.db2.gz AEXDMOZILDXRPN-LLVKDONJSA-N -1 3 367.348 0.609 20 30 FCEDHM N#Cc1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)c[nH]1 ZINC001581866033 1280620494 /nfs/dbraw/zinc/62/04/94/1280620494.db2.gz RPCKRDOEKCZZLE-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)c[nH]1 ZINC001581866033 1280620501 /nfs/dbraw/zinc/62/05/01/1280620501.db2.gz RPCKRDOEKCZZLE-UHFFFAOYSA-N -1 3 366.360 0.820 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001581866185 1280621413 /nfs/dbraw/zinc/62/14/13/1280621413.db2.gz VGWLXNCREWMWGS-LLVKDONJSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001581866185 1280621415 /nfs/dbraw/zinc/62/14/15/1280621415.db2.gz VGWLXNCREWMWGS-LLVKDONJSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)[nH]1 ZINC001581867672 1280622780 /nfs/dbraw/zinc/62/27/80/1280622780.db2.gz QTHXEPQETLHWAP-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)[nH]1 ZINC001581867672 1280622788 /nfs/dbraw/zinc/62/27/88/1280622788.db2.gz QTHXEPQETLHWAP-LBPRGKRZSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)cn1 ZINC001581868293 1280624964 /nfs/dbraw/zinc/62/49/64/1280624964.db2.gz OXOWKMKKLNJTKR-UHFFFAOYSA-N -1 3 352.383 0.976 20 30 FCEDHM N#Cc1ccc(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)cn1 ZINC001581868293 1280624969 /nfs/dbraw/zinc/62/49/69/1280624969.db2.gz OXOWKMKKLNJTKR-UHFFFAOYSA-N -1 3 352.383 0.976 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)[nH]1 ZINC001581867874 1280625486 /nfs/dbraw/zinc/62/54/86/1280625486.db2.gz ZSPRRUPTAHSJIA-LLVKDONJSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC001581867874 1280625494 /nfs/dbraw/zinc/62/54/94/1280625494.db2.gz ZSPRRUPTAHSJIA-LLVKDONJSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1 ZINC001581872718 1280627133 /nfs/dbraw/zinc/62/71/33/1280627133.db2.gz IUKHMWOZELHKDM-HBYGRHMLSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1 ZINC001581872718 1280627137 /nfs/dbraw/zinc/62/71/37/1280627137.db2.gz IUKHMWOZELHKDM-HBYGRHMLSA-N -1 3 361.369 0.326 20 30 FCEDHM N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001581871530 1280627526 /nfs/dbraw/zinc/62/75/26/1280627526.db2.gz YXPDSWBMTGTQIO-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001581871530 1280627534 /nfs/dbraw/zinc/62/75/34/1280627534.db2.gz YXPDSWBMTGTQIO-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001581873953 1280628531 /nfs/dbraw/zinc/62/85/31/1280628531.db2.gz XYKRHEQDKHTVNX-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001581873953 1280628537 /nfs/dbraw/zinc/62/85/37/1280628537.db2.gz XYKRHEQDKHTVNX-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(NC(=O)COCc2cc[nH]c(=O)c2)cc1-c1nnn[n-]1 ZINC001581873264 1280629241 /nfs/dbraw/zinc/62/92/41/1280629241.db2.gz VLLWBQHNGYVATH-UHFFFAOYSA-N -1 3 351.326 0.994 20 30 FCEDHM N#Cc1ccc(NC(=O)COCc2cc[nH]c(=O)c2)cc1-c1nn[n-]n1 ZINC001581873264 1280629246 /nfs/dbraw/zinc/62/92/46/1280629246.db2.gz VLLWBQHNGYVATH-UHFFFAOYSA-N -1 3 351.326 0.994 20 30 FCEDHM N#Cc1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)nc1 ZINC001581873463 1280629580 /nfs/dbraw/zinc/62/95/80/1280629580.db2.gz CXAOZCZZMYNHEU-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1cccc(OCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001581875620 1280629814 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3 363.385 0.718 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(F)c1 ZINC001581877697 1280633211 /nfs/dbraw/zinc/63/32/11/1280633211.db2.gz FRKXUXVNANPJHA-NSHDSACASA-N -1 3 367.348 0.927 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(F)c1 ZINC001581877697 1280633215 /nfs/dbraw/zinc/63/32/15/1280633215.db2.gz FRKXUXVNANPJHA-NSHDSACASA-N -1 3 367.348 0.927 20 30 FCEDHM N#Cc1cnc(NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001581878056 1280634912 /nfs/dbraw/zinc/63/49/12/1280634912.db2.gz UDMMPIQPXVPRAQ-JTQLQIEISA-N -1 3 364.373 0.431 20 30 FCEDHM N#Cc1cnc(NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001581878056 1280634923 /nfs/dbraw/zinc/63/49/23/1280634923.db2.gz UDMMPIQPXVPRAQ-JTQLQIEISA-N -1 3 364.373 0.431 20 30 FCEDHM N#Cc1cnc(NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cn1 ZINC001581878185 1280635522 /nfs/dbraw/zinc/63/55/22/1280635522.db2.gz ZRPWMVYXXMRWBW-UHFFFAOYSA-N -1 3 350.346 0.231 20 30 FCEDHM 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/nfs/dbraw/zinc/27/92/86/1288279286.db2.gz MAOGYQWSIKSUGS-UHFFFAOYSA-N -1 3 363.337 0.607 20 30 FCEDHM N#Cc1ccc(N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)nn1 ZINC001606377901 1288279648 /nfs/dbraw/zinc/27/96/48/1288279648.db2.gz XLPRQQFARWUOHL-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)nn1 ZINC001606377901 1288279653 /nfs/dbraw/zinc/27/96/53/1288279653.db2.gz XLPRQQFARWUOHL-CYBMUJFWSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1nc(N)n(CCCN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC001606388960 1288283653 /nfs/dbraw/zinc/28/36/53/1288283653.db2.gz IPCLVZOEGNFAEC-UHFFFAOYSA-N -1 3 363.341 0.203 20 30 FCEDHM N#Cc1nc(N)n(CCCN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC001606388960 1288283660 /nfs/dbraw/zinc/28/36/60/1288283660.db2.gz IPCLVZOEGNFAEC-UHFFFAOYSA-N -1 3 363.341 0.203 20 30 FCEDHM Cn1cc([C@@H](CO)NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609478789 1289171724 /nfs/dbraw/zinc/17/17/24/1289171724.db2.gz SMGSPEISRKPNBA-UKRRQHHQSA-N -1 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KUNRGLUXGHHJMF-KGLIPLIRSA-N -1 3 356.386 0.679 20 30 FCEDHM C=C[C@@H](N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)OC ZINC001609052634 1288889448 /nfs/dbraw/zinc/88/94/48/1288889448.db2.gz KUNRGLUXGHHJMF-KGLIPLIRSA-N -1 3 356.386 0.679 20 30 FCEDHM C=C[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001609052741 1288889461 /nfs/dbraw/zinc/88/94/61/1288889461.db2.gz OEBWHZWDXSQDCV-JTQLQIEISA-N -1 3 367.373 0.385 20 30 FCEDHM C=C[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001609052741 1288889462 /nfs/dbraw/zinc/88/94/62/1288889462.db2.gz OEBWHZWDXSQDCV-JTQLQIEISA-N -1 3 367.373 0.385 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(=O)n(C)n1 ZINC001609056869 1288891482 /nfs/dbraw/zinc/89/14/82/1288891482.db2.gz JIAPNCMHLNTDRE-UHFFFAOYSA-N -1 3 351.370 0.789 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(=O)n(C)n1 ZINC001609056869 1288891485 /nfs/dbraw/zinc/89/14/85/1288891485.db2.gz JIAPNCMHLNTDRE-UHFFFAOYSA-N -1 3 351.370 0.789 20 30 FCEDHM 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Cc1cc(NC[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C#N)cn1 ZINC001581013448 1279240452 /nfs/dbraw/zinc/24/04/52/1279240452.db2.gz PECQTJQVDWMZDM-JTQLQIEISA-N -1 3 365.401 0.670 20 30 FCEDHM Cc1cc(NC[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C#N)cn1 ZINC001581013448 1279240453 /nfs/dbraw/zinc/24/04/53/1279240453.db2.gz PECQTJQVDWMZDM-JTQLQIEISA-N -1 3 365.401 0.670 20 30 FCEDHM Cc1cc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)ccc1C#N ZINC001581043840 1279284135 /nfs/dbraw/zinc/28/41/35/1279284135.db2.gz RCAILFGWWXYKIQ-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)ccc1C#N ZINC001581043840 1279284136 /nfs/dbraw/zinc/28/41/36/1279284136.db2.gz RCAILFGWWXYKIQ-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001581080711 1279337902 /nfs/dbraw/zinc/33/79/02/1279337902.db2.gz NAMSCDPTFWEFIY-PWSUYJOCSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001581080711 1279337907 /nfs/dbraw/zinc/33/79/07/1279337907.db2.gz NAMSCDPTFWEFIY-PWSUYJOCSA-N -1 3 356.390 0.051 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001581113778 1279409223 /nfs/dbraw/zinc/40/92/23/1279409223.db2.gz KLGPIOBNHWDLGM-NSHDSACASA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001581113778 1279409226 /nfs/dbraw/zinc/40/92/26/1279409226.db2.gz KLGPIOBNHWDLGM-NSHDSACASA-N -1 3 370.417 0.807 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001581138201 1279439744 /nfs/dbraw/zinc/43/97/44/1279439744.db2.gz SVDAVSPBWOEMGL-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1ccc(C#N)c(NCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001581138201 1279439745 /nfs/dbraw/zinc/43/97/45/1279439745.db2.gz SVDAVSPBWOEMGL-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001603442575 1287373706 /nfs/dbraw/zinc/37/37/06/1287373706.db2.gz KHOMXRBLYLRPDP-LBPRGKRZSA-N -1 3 363.447 0.820 20 30 FCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001603442575 1287373714 /nfs/dbraw/zinc/37/37/14/1287373714.db2.gz KHOMXRBLYLRPDP-LBPRGKRZSA-N -1 3 363.447 0.820 20 30 FCEDHM Cn1c(C#N)ccc1C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001581748503 1280451618 /nfs/dbraw/zinc/45/16/18/1280451618.db2.gz FRRZDHOINAGTQS-UHFFFAOYSA-N -1 3 350.342 0.797 20 30 FCEDHM N#CCOc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001581858387 1280607726 /nfs/dbraw/zinc/60/77/26/1280607726.db2.gz DJAVDQZITNDMDJ-UHFFFAOYSA-N -1 3 371.382 0.643 20 30 FCEDHM N#CCOc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001581858387 1280607738 /nfs/dbraw/zinc/60/77/38/1280607738.db2.gz DJAVDQZITNDMDJ-UHFFFAOYSA-N -1 3 371.382 0.643 20 30 FCEDHM N#C[C@H]1COCCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001581856831 1280608805 /nfs/dbraw/zinc/60/88/05/1280608805.db2.gz GMDIQIFVZSZNES-QMMMGPOBSA-N -1 3 363.175 0.994 20 30 FCEDHM N#C[C@H]1COCCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001581856831 1280608812 /nfs/dbraw/zinc/60/88/12/1280608812.db2.gz GMDIQIFVZSZNES-QMMMGPOBSA-N -1 3 363.175 0.994 20 30 FCEDHM N#C[C@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001581856982 1280609422 /nfs/dbraw/zinc/60/94/22/1280609422.db2.gz LMCDRQFEEFNVSG-LBPRGKRZSA-N -1 3 369.385 0.726 20 30 FCEDHM N#C[C@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001581856982 1280609425 /nfs/dbraw/zinc/60/94/25/1280609425.db2.gz LMCDRQFEEFNVSG-LBPRGKRZSA-N -1 3 369.385 0.726 20 30 FCEDHM N#Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)c2)[nH]nc1N1CCOCC1 ZINC001581861061 1280612606 /nfs/dbraw/zinc/61/26/06/1280612606.db2.gz HQYBJXGBQCPAAC-UHFFFAOYSA-N -1 3 365.357 0.550 20 30 FCEDHM N#Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]nc1N1CCOCC1 ZINC001581861061 1280612613 /nfs/dbraw/zinc/61/26/13/1280612613.db2.gz HQYBJXGBQCPAAC-UHFFFAOYSA-N -1 3 365.357 0.550 20 30 FCEDHM N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC001581864494 1280616982 /nfs/dbraw/zinc/61/69/82/1280616982.db2.gz YSNCAGDALVUYBL-GFCCVEGCSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC001581864494 1280616991 /nfs/dbraw/zinc/61/69/91/1280616991.db2.gz YSNCAGDALVUYBL-GFCCVEGCSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001581865073 1280617715 /nfs/dbraw/zinc/61/77/15/1280617715.db2.gz CPVGCCXSOPBMFF-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001581865073 1280617717 /nfs/dbraw/zinc/61/77/17/1280617717.db2.gz CPVGCCXSOPBMFF-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c[nH]1 ZINC001581866139 1280620313 /nfs/dbraw/zinc/62/03/13/1280620313.db2.gz SXORSTGVCXVFJK-LLVKDONJSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c[nH]1 ZINC001581866139 1280620326 /nfs/dbraw/zinc/62/03/26/1280620326.db2.gz SXORSTGVCXVFJK-LLVKDONJSA-N -1 3 365.357 0.039 20 30 FCEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001581871966 1280626873 /nfs/dbraw/zinc/62/68/73/1280626873.db2.gz CXIUKBVTYLRROR-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001581871966 1280626879 /nfs/dbraw/zinc/62/68/79/1280626879.db2.gz CXIUKBVTYLRROR-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001581871381 1280627101 /nfs/dbraw/zinc/62/71/01/1280627101.db2.gz RTAIFQLDXSSWCY-LBPRGKRZSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001581871381 1280627107 /nfs/dbraw/zinc/62/71/07/1280627107.db2.gz RTAIFQLDXSSWCY-LBPRGKRZSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001581871489 1280627284 /nfs/dbraw/zinc/62/72/84/1280627284.db2.gz XFWGFOAUHDHPFG-LBPRGKRZSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001581871489 1280627287 /nfs/dbraw/zinc/62/72/87/1280627287.db2.gz XFWGFOAUHDHPFG-LBPRGKRZSA-N -1 3 364.373 0.255 20 30 FCEDHM N#Cc1cccc(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001581874867 1280628258 /nfs/dbraw/zinc/62/82/58/1280628258.db2.gz LCZDYJOWZGVMCB-UHFFFAOYSA-N -1 3 350.342 0.646 20 30 FCEDHM N#Cc1cccc(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c1 ZINC001581874867 1280628270 /nfs/dbraw/zinc/62/82/70/1280628270.db2.gz LCZDYJOWZGVMCB-UHFFFAOYSA-N -1 3 350.342 0.646 20 30 FCEDHM N#Cc1cnc(N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)cn1 ZINC001581877786 1280631488 /nfs/dbraw/zinc/63/14/88/1280631488.db2.gz JKENQJLLPRBJLU-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cnc(N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)cn1 ZINC001581877786 1280631492 /nfs/dbraw/zinc/63/14/92/1280631492.db2.gz JKENQJLLPRBJLU-ZDUSSCGKSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1cccnc1N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001581876095 1280633306 /nfs/dbraw/zinc/63/33/06/1280633306.db2.gz GAUGEXWVEYEJKW-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cccnc1N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001581876095 1280633311 /nfs/dbraw/zinc/63/33/11/1280633311.db2.gz GAUGEXWVEYEJKW-CYBMUJFWSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1nc(N)n(C[C@@H](O)c2cc(Br)no2)c1-c1nnn[n-]1 ZINC001581878402 1280634059 /nfs/dbraw/zinc/63/40/59/1280634059.db2.gz KCMNZJUHPBAULD-RXMQYKEDSA-N -1 3 366.139 0.001 20 30 FCEDHM N#Cc1nc(N)n(C[C@@H](O)c2cc(Br)no2)c1-c1nn[n-]n1 ZINC001581878402 1280634073 /nfs/dbraw/zinc/63/40/73/1280634073.db2.gz KCMNZJUHPBAULD-RXMQYKEDSA-N -1 3 366.139 0.001 20 30 FCEDHM N#Cc1cnc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC001581878125 1280634210 /nfs/dbraw/zinc/63/42/10/1280634210.db2.gz WPXZFAOPNGJCRK-XYPYZODXSA-N -1 3 367.348 0.973 20 30 FCEDHM N#Cc1cnc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC001581878125 1280634219 /nfs/dbraw/zinc/63/42/19/1280634219.db2.gz WPXZFAOPNGJCRK-XYPYZODXSA-N -1 3 367.348 0.973 20 30 FCEDHM N#Cc1nc(NC2CCN(Cc3ccccn3)CC2)cnc1-c1nnn[n-]1 ZINC001581880137 1280637632 /nfs/dbraw/zinc/63/76/32/1280637632.db2.gz AJSJXBVWPNHYEW-UHFFFAOYSA-N -1 3 362.401 1.000 20 30 FCEDHM N#Cc1ncc(N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)nc1C#N ZINC001581882055 1280640513 /nfs/dbraw/zinc/64/05/13/1280640513.db2.gz JPRIWQXJLCTNPE-NSHDSACASA-N -1 3 360.341 0.453 20 30 FCEDHM N#Cc1ncc(N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)nc1C#N ZINC001581882055 1280640521 /nfs/dbraw/zinc/64/05/21/1280640521.db2.gz JPRIWQXJLCTNPE-NSHDSACASA-N -1 3 360.341 0.453 20 30 FCEDHM N#Cc1cnccc1N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001581883795 1280650510 /nfs/dbraw/zinc/65/05/10/1280650510.db2.gz WVAGTEZBJNKEPC-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1cnccc1N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001581883795 1280650521 /nfs/dbraw/zinc/65/05/21/1280650521.db2.gz WVAGTEZBJNKEPC-ZDUSSCGKSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1nccnc1N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001581885555 1280651922 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/nfs/dbraw/zinc/62/04/58/1280620458.db2.gz HFILWXGMYWGIQU-CYBMUJFWSA-N -1 3 350.335 0.204 20 30 FCEDHM N#Cc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)ccn1 ZINC001581866751 1280621551 /nfs/dbraw/zinc/62/15/51/1280621551.db2.gz SWHXPBYWRSITRL-UHFFFAOYSA-N -1 3 359.346 0.751 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)[nH]1 ZINC001581867468 1280622089 /nfs/dbraw/zinc/62/20/89/1280622089.db2.gz JMDBLOXOVMOBOP-SNVBAGLBSA-N -1 3 370.348 0.408 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)[nH]1 ZINC001581867468 1280622092 /nfs/dbraw/zinc/62/20/92/1280622092.db2.gz JMDBLOXOVMOBOP-SNVBAGLBSA-N -1 3 370.348 0.408 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]1 ZINC001581867576 1280623200 /nfs/dbraw/zinc/62/32/00/1280623200.db2.gz NUHDFFSDOPCVAB-AOOOYVTPSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]1 ZINC001581867576 1280623209 /nfs/dbraw/zinc/62/32/09/1280623209.db2.gz 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N#Cc1ccc(N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001581872694 1280626727 /nfs/dbraw/zinc/62/67/27/1280626727.db2.gz ICUIRQXDBCHWHZ-JTQLQIEISA-N -1 3 350.346 0.183 20 30 FCEDHM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001581872639 1280627054 /nfs/dbraw/zinc/62/70/54/1280627054.db2.gz GLRGIKKRMNFDSE-LBPRGKRZSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001581872639 1280627056 /nfs/dbraw/zinc/62/70/56/1280627056.db2.gz GLRGIKKRMNFDSE-LBPRGKRZSA-N -1 3 364.373 0.573 20 30 FCEDHM N#Cc1ccc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001581872661 1280627118 /nfs/dbraw/zinc/62/71/18/1280627118.db2.gz HAUJYFDMBAOJES-NSHDSACASA-N -1 3 350.346 0.183 20 30 FCEDHM N#Cc1ccc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001581872661 1280627124 /nfs/dbraw/zinc/62/71/24/1280627124.db2.gz HAUJYFDMBAOJES-NSHDSACASA-N -1 3 350.346 0.183 20 30 FCEDHM N#Cc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001581871380 1280627193 /nfs/dbraw/zinc/62/71/93/1280627193.db2.gz RTAIFQLDXSSWCY-GFCCVEGCSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001581871380 1280627205 /nfs/dbraw/zinc/62/72/05/1280627205.db2.gz RTAIFQLDXSSWCY-GFCCVEGCSA-N -1 3 363.385 0.718 20 30 FCEDHM N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1 ZINC001581872794 1280627850 /nfs/dbraw/zinc/62/78/50/1280627850.db2.gz LVZSSJYYCYOZKF-RYUDHWBXSA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1 ZINC001581872794 1280627858 /nfs/dbraw/zinc/62/78/58/1280627858.db2.gz LVZSSJYYCYOZKF-RYUDHWBXSA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cncc(-c3nnn[n-]3)c1)C2 ZINC001581874633 1280629037 /nfs/dbraw/zinc/62/90/37/1280629037.db2.gz ZVRJPMKJMYXDGU-UHFFFAOYSA-N -1 3 353.367 0.838 20 30 FCEDHM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cncc(-c3nn[n-]n3)c1)C2 ZINC001581874633 1280629041 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C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573562028 946970912 /nfs/dbraw/zinc/97/09/12/946970912.db2.gz PXLUCWIBYBVSSQ-GHMZBOCLSA-N -1 3 361.381 0.421 20 30 FCEDHM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573562028 946970924 /nfs/dbraw/zinc/97/09/24/946970924.db2.gz PXLUCWIBYBVSSQ-GHMZBOCLSA-N -1 3 361.381 0.421 20 30 FCEDHM C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573562753 946978485 /nfs/dbraw/zinc/97/84/85/946978485.db2.gz XIUCLKZFKKIQNC-JTQLQIEISA-N -1 3 356.390 0.417 20 30 FCEDHM C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573562753 946978491 /nfs/dbraw/zinc/97/84/91/946978491.db2.gz XIUCLKZFKKIQNC-JTQLQIEISA-N -1 3 356.390 0.417 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573564023 946987633 /nfs/dbraw/zinc/98/76/33/946987633.db2.gz DLZPEQQSSATNNM-NSHDSACASA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573564023 946987646 /nfs/dbraw/zinc/98/76/46/946987646.db2.gz DLZPEQQSSATNNM-NSHDSACASA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@H](C#N)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573564649 946994911 /nfs/dbraw/zinc/99/49/11/946994911.db2.gz JZDYHBKIDLMTBY-GHMZBOCLSA-N -1 3 356.390 0.275 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573565653 947009694 /nfs/dbraw/zinc/00/96/94/947009694.db2.gz SXBIIRSCYIFILG-NSHDSACASA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573565725 947013075 /nfs/dbraw/zinc/01/30/75/947013075.db2.gz VAEPLCZGNJQVDG-GXFFZTMASA-N -1 3 370.417 0.711 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573565725 947013079 /nfs/dbraw/zinc/01/30/79/947013079.db2.gz VAEPLCZGNJQVDG-GXFFZTMASA-N -1 3 370.417 0.711 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573567181 947037484 /nfs/dbraw/zinc/03/74/84/947037484.db2.gz JMBNHKRCCWVEOY-ZYHUDNBSSA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573567204 947037596 /nfs/dbraw/zinc/03/75/96/947037596.db2.gz KDABYGLOSGVTMC-AAEUAGOBSA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573567151 947037870 /nfs/dbraw/zinc/03/78/70/947037870.db2.gz JAKGATJXYWAXJY-KWCYVHTRSA-N -1 3 352.402 0.991 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573567151 947037878 /nfs/dbraw/zinc/03/78/78/947037878.db2.gz JAKGATJXYWAXJY-KWCYVHTRSA-N -1 3 352.402 0.991 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573567376 947043993 /nfs/dbraw/zinc/04/39/93/947043993.db2.gz MGMJCHXFOUAJOB-NEPJUHHUSA-N -1 3 370.417 0.665 20 30 FCEDHM C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573567618 947049697 /nfs/dbraw/zinc/04/96/97/947049697.db2.gz PNHRKCKFBTZNOT-DDTOSNHZSA-N -1 3 368.401 0.560 20 30 FCEDHM C=C1CCC(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573296635 947051872 /nfs/dbraw/zinc/05/18/72/947051872.db2.gz VALNSHKYHRRQJI-UHFFFAOYSA-N -1 3 355.402 0.882 20 30 FCEDHM C=C1CCC(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573296635 947051884 /nfs/dbraw/zinc/05/18/84/947051884.db2.gz VALNSHKYHRRQJI-UHFFFAOYSA-N -1 3 355.402 0.882 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573567751 947054920 /nfs/dbraw/zinc/05/49/20/947054920.db2.gz RZEKLGZQJSWDRE-DGCLKSJQSA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573569584 947072498 /nfs/dbraw/zinc/07/24/98/947072498.db2.gz BQFRZNPLCUTCDP-GHMZBOCLSA-N -1 3 359.365 0.805 20 30 FCEDHM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573569584 947072512 /nfs/dbraw/zinc/07/25/12/947072512.db2.gz BQFRZNPLCUTCDP-GHMZBOCLSA-N -1 3 359.365 0.805 20 30 FCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573569854 947077947 /nfs/dbraw/zinc/07/79/47/947077947.db2.gz GTHWMFUTRKVCFI-LOWVWBTDSA-N -1 3 368.401 0.275 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573570450 947088787 /nfs/dbraw/zinc/08/87/87/947088787.db2.gz PFVMWAOWOZZZBJ-GHMZBOCLSA-N -1 3 370.417 0.711 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@H](C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573570450 947088792 /nfs/dbraw/zinc/08/87/92/947088792.db2.gz PFVMWAOWOZZZBJ-GHMZBOCLSA-N -1 3 370.417 0.711 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001573570860 947095029 /nfs/dbraw/zinc/09/50/29/947095029.db2.gz VUKXXORLPREWSN-LOWVWBTDSA-N -1 3 370.392 0.845 20 30 FCEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001573570860 947095043 /nfs/dbraw/zinc/09/50/43/947095043.db2.gz VUKXXORLPREWSN-LOWVWBTDSA-N -1 3 370.392 0.845 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573571962 947106547 /nfs/dbraw/zinc/10/65/47/947106547.db2.gz BWJQAVGMLFUQMI-JTQLQIEISA-N -1 3 374.380 0.008 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573571962 947106552 /nfs/dbraw/zinc/10/65/52/947106552.db2.gz BWJQAVGMLFUQMI-JTQLQIEISA-N -1 3 374.380 0.008 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573572200 947108625 /nfs/dbraw/zinc/10/86/25/947108625.db2.gz FRUANAKOWYERNM-NSHDSACASA-N -1 3 373.392 0.218 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573572200 947108634 /nfs/dbraw/zinc/10/86/34/947108634.db2.gz FRUANAKOWYERNM-NSHDSACASA-N -1 3 373.392 0.218 20 30 FCEDHM C[C@H](C#N)C(=O)NC1(CO)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573572500 947115835 /nfs/dbraw/zinc/11/58/35/947115835.db2.gz JEALHJWIIMLZSX-LLVKDONJSA-N -1 3 373.392 0.613 20 30 FCEDHM C[C@H](C#N)C(=O)NC1(CO)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573572500 947115839 /nfs/dbraw/zinc/11/58/39/947115839.db2.gz JEALHJWIIMLZSX-LLVKDONJSA-N -1 3 373.392 0.613 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573573646 947123643 /nfs/dbraw/zinc/12/36/43/947123643.db2.gz ORTAJLBJRKGAMQ-HWPZZCPQSA-N -1 3 374.380 0.008 20 30 FCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573573646 947123648 /nfs/dbraw/zinc/12/36/48/947123648.db2.gz ORTAJLBJRKGAMQ-HWPZZCPQSA-N -1 3 374.380 0.008 20 30 FCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCCCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573575057 947135341 /nfs/dbraw/zinc/13/53/41/947135341.db2.gz VRLFHNGJJNUTFG-WCQYABFASA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCCCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573575057 947135346 /nfs/dbraw/zinc/13/53/46/947135346.db2.gz VRLFHNGJJNUTFG-WCQYABFASA-N -1 3 370.417 0.855 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573575695 947141258 /nfs/dbraw/zinc/14/12/58/947141258.db2.gz ZISXUFWRBLMCLY-JTQLQIEISA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573575695 947141266 /nfs/dbraw/zinc/14/12/66/947141266.db2.gz ZISXUFWRBLMCLY-JTQLQIEISA-N -1 3 356.390 0.465 20 30 FCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573575900 947144936 /nfs/dbraw/zinc/14/49/36/947144936.db2.gz BLWBXUQPCKWIGZ-DIFFPNOSSA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573577180 947164106 /nfs/dbraw/zinc/16/41/06/947164106.db2.gz NBVKZPYETALGAE-QFYYESIMSA-N -1 3 356.390 0.323 20 30 FCEDHM C[C@@H](C#N)C(=O)NCC1(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573577666 947172264 /nfs/dbraw/zinc/17/22/64/947172264.db2.gz RWPRYSQNBNVFAQ-JTQLQIEISA-N -1 3 356.390 0.371 20 30 FCEDHM C[C@@H](C#N)C(=O)NCC1(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573577666 947172272 /nfs/dbraw/zinc/17/22/72/947172272.db2.gz RWPRYSQNBNVFAQ-JTQLQIEISA-N -1 3 356.390 0.371 20 30 FCEDHM C[C@H](C#N)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573578078 947181222 /nfs/dbraw/zinc/18/12/22/947181222.db2.gz XYUYTCRYFMJARI-LLVKDONJSA-N -1 3 370.417 0.903 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573309310 947196466 /nfs/dbraw/zinc/19/64/66/947196466.db2.gz GQWOJTDCTZUGBL-SJKOYZFVSA-N -1 3 357.418 0.592 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573309310 947196471 /nfs/dbraw/zinc/19/64/71/947196471.db2.gz GQWOJTDCTZUGBL-SJKOYZFVSA-N -1 3 357.418 0.592 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCCN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573309422 947198403 /nfs/dbraw/zinc/19/84/03/947198403.db2.gz ISVOSJJAJXLFEJ-CQSZACIVSA-N -1 3 351.436 0.511 20 30 FCEDHM C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573583010 947198730 /nfs/dbraw/zinc/19/87/30/947198730.db2.gz ICQOOEJHOUGEFL-QWRGUYRKSA-N -1 3 356.390 0.323 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573309886 947212969 /nfs/dbraw/zinc/21/29/69/947212969.db2.gz PKDSXIIKEBJKEK-INIZCTEOSA-N -1 3 361.381 0.377 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573309886 947212975 /nfs/dbraw/zinc/21/29/75/947212975.db2.gz PKDSXIIKEBJKEK-INIZCTEOSA-N -1 3 361.381 0.377 20 30 FCEDHM C=C[C@](C)(CCOC)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573309904 947212993 /nfs/dbraw/zinc/21/29/93/947212993.db2.gz PPMANRBZLYNOPB-QGZVFWFLSA-N -1 3 373.417 0.364 20 30 FCEDHM C=C[C@](C)(CCOC)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573309904 947212998 /nfs/dbraw/zinc/21/29/98/947212998.db2.gz PPMANRBZLYNOPB-QGZVFWFLSA-N -1 3 373.417 0.364 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573584190 947213861 /nfs/dbraw/zinc/21/38/61/947213861.db2.gz RCAMTWLWMMVHFP-NSHDSACASA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@@H](C#N)C(=O)NCCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573584190 947213872 /nfs/dbraw/zinc/21/38/72/947213872.db2.gz RCAMTWLWMMVHFP-NSHDSACASA-N -1 3 370.417 0.713 20 30 FCEDHM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573584114 947214064 /nfs/dbraw/zinc/21/40/64/947214064.db2.gz QOIFTVYUEVTXLT-AAEUAGOBSA-N -1 3 373.392 0.482 20 30 FCEDHM C[C@@H](C#N)C(=O)NC[C@H]1COCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573584114 947214074 /nfs/dbraw/zinc/21/40/74/947214074.db2.gz QOIFTVYUEVTXLT-AAEUAGOBSA-N -1 3 373.392 0.482 20 30 FCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573584432 947220862 /nfs/dbraw/zinc/22/08/62/947220862.db2.gz VTNMYFYJWLIIIC-WDEREUQCSA-N -1 3 356.390 0.323 20 30 FCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573584432 947220873 /nfs/dbraw/zinc/22/08/73/947220873.db2.gz VTNMYFYJWLIIIC-WDEREUQCSA-N -1 3 356.390 0.323 20 30 FCEDHM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573584527 947223838 /nfs/dbraw/zinc/22/38/38/947223838.db2.gz 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OMJZHEYSVHMZOV-SWLSCSKDSA-N -1 3 367.413 0.527 20 30 FCEDHM CC(C)C#CC(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573942449 1270949202 /nfs/dbraw/zinc/94/92/02/1270949202.db2.gz OHTVYNPZJLXKNG-UHFFFAOYSA-N -1 3 355.402 0.575 20 30 FCEDHM CC(C)C#CC(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573942449 1270949207 /nfs/dbraw/zinc/94/92/07/1270949207.db2.gz OHTVYNPZJLXKNG-UHFFFAOYSA-N -1 3 355.402 0.575 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573941967 1270949260 /nfs/dbraw/zinc/94/92/60/1270949260.db2.gz JZYJSODWGLOTNM-NWDGAFQWSA-N -1 3 357.418 0.867 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573941967 1270949262 /nfs/dbraw/zinc/94/92/62/1270949262.db2.gz JZYJSODWGLOTNM-NWDGAFQWSA-N -1 3 357.418 0.867 20 30 FCEDHM CC(C)C#CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573941947 1270949423 /nfs/dbraw/zinc/94/94/23/1270949423.db2.gz JCMLBBXALNRMNR-CQSZACIVSA-N -1 3 357.418 0.725 20 30 FCEDHM CC(C)C#CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573941947 1270949425 /nfs/dbraw/zinc/94/94/25/1270949425.db2.gz JCMLBBXALNRMNR-CQSZACIVSA-N -1 3 357.418 0.725 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573946716 1270953677 /nfs/dbraw/zinc/95/36/77/1270953677.db2.gz ISWDYLWNUKWXMI-AWEZNQCLSA-N -1 3 357.418 0.725 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573946716 1270953681 /nfs/dbraw/zinc/95/36/81/1270953681.db2.gz ISWDYLWNUKWXMI-AWEZNQCLSA-N -1 3 357.418 0.725 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573947133 1270953727 /nfs/dbraw/zinc/95/37/27/1270953727.db2.gz VQFCPMKLONNGFA-AWEZNQCLSA-N -1 3 355.402 0.479 20 30 FCEDHM CC(C)C#CC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573947133 1270953729 /nfs/dbraw/zinc/95/37/29/1270953729.db2.gz VQFCPMKLONNGFA-AWEZNQCLSA-N -1 3 355.402 0.479 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccncc1C#N ZINC001574052640 1271039813 /nfs/dbraw/zinc/03/98/13/1271039813.db2.gz WGXNZMLCRYBMQE-HNNXBMFYSA-N -1 3 365.401 0.750 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccncc1C#N ZINC001574052640 1271039821 /nfs/dbraw/zinc/03/98/21/1271039821.db2.gz WGXNZMLCRYBMQE-HNNXBMFYSA-N -1 3 365.401 0.750 20 30 FCEDHM C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1nccnc1C#N ZINC001574629953 1271427241 /nfs/dbraw/zinc/42/72/41/1271427241.db2.gz ZLIPIZVTVJHCAG-SECBINFHSA-N -1 3 352.362 0.477 20 30 FCEDHM C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1nccnc1C#N ZINC001574629953 1271427245 /nfs/dbraw/zinc/42/72/45/1271427245.db2.gz ZLIPIZVTVJHCAG-SECBINFHSA-N -1 3 352.362 0.477 20 30 FCEDHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574631033 1271429088 /nfs/dbraw/zinc/42/90/88/1271429088.db2.gz ZRXFYYNSIOVRIP-VIFPVBQESA-N -1 3 367.373 0.333 20 30 FCEDHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574631033 1271429089 /nfs/dbraw/zinc/42/90/89/1271429089.db2.gz ZRXFYYNSIOVRIP-VIFPVBQESA-N -1 3 367.373 0.333 20 30 FCEDHM C[C@H](CN(C)c1ccncc1C#N)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574810804 1271550553 /nfs/dbraw/zinc/55/05/53/1271550553.db2.gz YGLGZWIIENXUEK-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@H](CN(C)c1ccncc1C#N)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574810804 1271550558 /nfs/dbraw/zinc/55/05/58/1271550558.db2.gz YGLGZWIIENXUEK-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](CN(C)c1ncccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574822540 1271567244 /nfs/dbraw/zinc/56/72/44/1271567244.db2.gz YNAMHFURNXDJFD-JTQLQIEISA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](CN(C)c1ncccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574822540 1271567252 /nfs/dbraw/zinc/56/72/52/1271567252.db2.gz YNAMHFURNXDJFD-JTQLQIEISA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575314076 1271910397 /nfs/dbraw/zinc/91/03/97/1271910397.db2.gz KVPMIYDDUKLIGD-RKDXNWHRSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575314076 1271910406 /nfs/dbraw/zinc/91/04/06/1271910406.db2.gz KVPMIYDDUKLIGD-RKDXNWHRSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](C)Nc1cnc(C#N)cn1 ZINC001575315377 1271914440 /nfs/dbraw/zinc/91/44/40/1271914440.db2.gz TWIRUIHNGUXGAD-RKDXNWHRSA-N -1 3 352.362 0.475 20 30 FCEDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)Nc1cnc(C#N)cn1 ZINC001575315377 1271914444 /nfs/dbraw/zinc/91/44/44/1271914444.db2.gz TWIRUIHNGUXGAD-RKDXNWHRSA-N -1 3 352.362 0.475 20 30 FCEDHM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575315370 1271914453 /nfs/dbraw/zinc/91/44/53/1271914453.db2.gz SZCCMKBIVNOSAQ-BDAKNGLRSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575315370 1271914460 /nfs/dbraw/zinc/91/44/60/1271914460.db2.gz SZCCMKBIVNOSAQ-BDAKNGLRSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)Nc1ccncc1C#N ZINC001575322262 1271926780 /nfs/dbraw/zinc/92/67/80/1271926780.db2.gz CYDCQPACDZPLPG-UWVGGRQHSA-N -1 3 351.374 0.502 20 30 FCEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)Nc1ccncc1C#N ZINC001575322262 1271926788 /nfs/dbraw/zinc/92/67/88/1271926788.db2.gz CYDCQPACDZPLPG-UWVGGRQHSA-N -1 3 351.374 0.502 20 30 FCEDHM C[C@@]1(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)N1 ZINC001575769836 1272427091 /nfs/dbraw/zinc/42/70/91/1272427091.db2.gz KYNUYKRZJPAWOX-GUYCJALGSA-N -1 3 353.386 0.334 20 30 FCEDHM C[C@@]1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN(c2ccc(C#N)nn2)C1 ZINC001575827874 1272493191 /nfs/dbraw/zinc/49/31/91/1272493191.db2.gz VOICVYUHMPJOST-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@]1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN(c2ccc(C#N)nn2)C1 ZINC001575827874 1272493196 /nfs/dbraw/zinc/49/31/96/1272493196.db2.gz VOICVYUHMPJOST-MRXNPFEDSA-N -1 3 364.373 0.255 20 30 FCEDHM C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576037027 1272750317 /nfs/dbraw/zinc/75/03/17/1272750317.db2.gz DJVCXJFTNGNORB-MWLCHTKSSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576037027 1272750321 /nfs/dbraw/zinc/75/03/21/1272750321.db2.gz DJVCXJFTNGNORB-MWLCHTKSSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576054621 1272788722 /nfs/dbraw/zinc/78/87/22/1272788722.db2.gz BARYDQHIUXNKOU-UWVGGRQHSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576054621 1272788729 /nfs/dbraw/zinc/78/87/29/1272788729.db2.gz BARYDQHIUXNKOU-UWVGGRQHSA-N -1 3 364.373 0.572 20 30 FCEDHM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001577523110 1274469514 /nfs/dbraw/zinc/46/95/14/1274469514.db2.gz MSOCDYMNGAKMRF-VXGBXAGGSA-N -1 3 370.417 0.808 20 30 FCEDHM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001577523353 1274470033 /nfs/dbraw/zinc/47/00/33/1274470033.db2.gz RIQXOYWFVHEAST-AAEUAGOBSA-N -1 3 370.417 0.808 20 30 FCEDHM CCCN(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnc(C#N)n1 ZINC001577629428 1274613260 /nfs/dbraw/zinc/61/32/60/1274613260.db2.gz OAMCGUIEJJFQBJ-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM CCCN(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnc(C#N)n1 ZINC001577629428 1274613273 /nfs/dbraw/zinc/61/32/73/1274613273.db2.gz OAMCGUIEJJFQBJ-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM CCCN(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnc(C#N)cn1 ZINC001577629461 1274613807 /nfs/dbraw/zinc/61/38/07/1274613807.db2.gz PIJHLBBQGGUCSV-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM CCCN(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnc(C#N)cn1 ZINC001577629461 1274613821 /nfs/dbraw/zinc/61/38/21/1274613821.db2.gz PIJHLBBQGGUCSV-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001580770182 1278900158 /nfs/dbraw/zinc/90/01/58/1278900158.db2.gz IAWFLUQJYQPDCM-UWVGGRQHSA-N -1 3 366.389 0.784 20 30 FCEDHM Cc1cc(C#N)nc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001580770182 1278900162 /nfs/dbraw/zinc/90/01/62/1278900162.db2.gz IAWFLUQJYQPDCM-UWVGGRQHSA-N -1 3 366.389 0.784 20 30 FCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001580771769 1278900844 /nfs/dbraw/zinc/90/08/44/1278900844.db2.gz WOMXXAIACDBVPV-MGCOHNPYSA-N -1 3 364.373 0.538 20 30 FCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001580771769 1278900852 /nfs/dbraw/zinc/90/08/52/1278900852.db2.gz WOMXXAIACDBVPV-MGCOHNPYSA-N -1 3 364.373 0.538 20 30 FCEDHM CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001578200894 1275491362 /nfs/dbraw/zinc/49/13/62/1275491362.db2.gz RCHVZOHEBKYDMP-SNVBAGLBSA-N -1 3 366.389 0.501 20 30 FCEDHM CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001578200894 1275491368 /nfs/dbraw/zinc/49/13/68/1275491368.db2.gz RCHVZOHEBKYDMP-SNVBAGLBSA-N -1 3 366.389 0.501 20 30 FCEDHM CCN(c1nccnc1C#N)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001578208797 1275501471 /nfs/dbraw/zinc/50/14/71/1275501471.db2.gz DBSLZXFFNWRSMO-SNVBAGLBSA-N -1 3 366.389 0.501 20 30 FCEDHM CCN(c1nccnc1C#N)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001578208797 1275501474 /nfs/dbraw/zinc/50/14/74/1275501474.db2.gz DBSLZXFFNWRSMO-SNVBAGLBSA-N -1 3 366.389 0.501 20 30 FCEDHM CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001578599198 1276031718 /nfs/dbraw/zinc/03/17/18/1276031718.db2.gz HCEXZTTYGATWGO-VIFPVBQESA-N -1 3 366.389 0.649 20 30 FCEDHM CCc1nc(C#N)cc(N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001578599198 1276031724 /nfs/dbraw/zinc/03/17/24/1276031724.db2.gz HCEXZTTYGATWGO-VIFPVBQESA-N -1 3 366.389 0.649 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001578912105 1276453607 /nfs/dbraw/zinc/45/36/07/1276453607.db2.gz YNBRVVUXLKTIDI-GFCCVEGCSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001578912105 1276453610 /nfs/dbraw/zinc/45/36/10/1276453610.db2.gz YNBRVVUXLKTIDI-GFCCVEGCSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C)C(=O)[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001578955383 1276500533 /nfs/dbraw/zinc/50/05/33/1276500533.db2.gz IEWFGVCMYVAYDY-LSDHHAIUSA-N -1 3 367.413 0.486 20 30 FCEDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC001579063750 1276675015 /nfs/dbraw/zinc/67/50/15/1276675015.db2.gz KNPGOJPHGWFMOF-ZDUSSCGKSA-N -1 3 374.382 0.685 20 30 FCEDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC001579063750 1276675022 /nfs/dbraw/zinc/67/50/22/1276675022.db2.gz KNPGOJPHGWFMOF-ZDUSSCGKSA-N -1 3 374.382 0.685 20 30 FCEDHM CN(CCCN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579116348 1276784823 /nfs/dbraw/zinc/78/48/23/1276784823.db2.gz HKKWHQXOOFUAGW-UHFFFAOYSA-N -1 3 366.389 0.455 20 30 FCEDHM CN(CCCN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579116348 1276784829 /nfs/dbraw/zinc/78/48/29/1276784829.db2.gz HKKWHQXOOFUAGW-UHFFFAOYSA-N -1 3 366.389 0.455 20 30 FCEDHM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ncccc1-c1nnn[n-]1 ZINC001579124328 1276803259 /nfs/dbraw/zinc/80/32/59/1276803259.db2.gz JAIBKOPNUFZIRG-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ncccc1-c1nn[n-]n1 ZINC001579124328 1276803272 /nfs/dbraw/zinc/80/32/72/1276803272.db2.gz JAIBKOPNUFZIRG-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CN(CCN(C)c1cncc(C#N)n1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001579153988 1276895317 /nfs/dbraw/zinc/89/53/17/1276895317.db2.gz YCTLGKSVGZVUIR-UHFFFAOYSA-N -1 3 352.362 0.065 20 30 FCEDHM CN(CCN(C)c1cncc(C#N)n1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579153988 1276895328 /nfs/dbraw/zinc/89/53/28/1276895328.db2.gz YCTLGKSVGZVUIR-UHFFFAOYSA-N -1 3 352.362 0.065 20 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ZINC001579285285 1277108799 /nfs/dbraw/zinc/10/87/99/1277108799.db2.gz VFLRNQSNHPVCNT-GFCCVEGCSA-N -1 3 363.385 0.812 20 30 FCEDHM CSCC[C@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1nnn[n-]1 ZINC001579381989 1277262006 /nfs/dbraw/zinc/26/20/06/1277262006.db2.gz MUHWZRDBUFBEJS-KBPBESRZSA-N -1 3 357.443 0.869 20 30 FCEDHM CSCC[C@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1nn[n-]n1 ZINC001579381989 1277262014 /nfs/dbraw/zinc/26/20/14/1277262014.db2.gz MUHWZRDBUFBEJS-KBPBESRZSA-N -1 3 357.443 0.869 20 30 FCEDHM COC(=O)C1(C#N)CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001579436365 1277308549 /nfs/dbraw/zinc/30/85/49/1277308549.db2.gz OUTOSKTWDVWLQT-UHFFFAOYSA-N -1 3 370.369 0.551 20 30 FCEDHM COC(=O)C1(C#N)CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001579436365 1277308559 /nfs/dbraw/zinc/30/85/59/1277308559.db2.gz OUTOSKTWDVWLQT-UHFFFAOYSA-N -1 3 370.369 0.551 20 30 FCEDHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001579867834 1277944308 /nfs/dbraw/zinc/94/43/08/1277944308.db2.gz 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Cc1cccc(C#N)c1S(=O)(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001581219170 1279513199 /nfs/dbraw/zinc/51/31/99/1279513199.db2.gz HXTOVUSDPPORFV-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1nc(N2CCO[C@](C)(CNC(=O)[C@H](C)C#N)C2)ccc1-c1nn[n-]n1 ZINC001581481229 1280020839 /nfs/dbraw/zinc/02/08/39/1280020839.db2.gz XMZZEHVKOGMUTN-PIGZYNQJSA-N -1 3 370.417 0.441 20 30 FCEDHM Cc1nc(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)ccc1-c1nn[n-]n1 ZINC001581518023 1280067320 /nfs/dbraw/zinc/06/73/20/1280067320.db2.gz MDFFNXWJABIMSH-YPMHNXCESA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)ccc1-c1nn[n-]n1 ZINC001581518022 1280067907 /nfs/dbraw/zinc/06/79/07/1280067907.db2.gz MDFFNXWJABIMSH-WCQYABFASA-N -1 3 370.417 0.759 20 30 FCEDHM C[C@@H](CN(C)c1ncc(-c2nnn[n-]2)cc1F)NC(=O)CSCC#N ZINC001603518098 1287399437 /nfs/dbraw/zinc/39/94/37/1287399437.db2.gz RQUKWFPHWMTUHZ-VIFPVBQESA-N -1 3 364.410 0.598 20 30 FCEDHM C[C@@H](CN(C)c1ncc(-c2nn[n-]n2)cc1F)NC(=O)CSCC#N ZINC001603518098 1287399441 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20 30 FCEDHM N#CCc1cccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001581859624 1280611054 /nfs/dbraw/zinc/61/10/54/1280611054.db2.gz MUUNWTVAXLNJDG-UHFFFAOYSA-N -1 3 364.373 0.956 20 30 FCEDHM N#Cc1c(N)sc2c1CCN(C(=O)c1cnccc1-c1nnn[n-]1)C2 ZINC001581860971 1280613970 /nfs/dbraw/zinc/61/39/70/1280613970.db2.gz BWXJHINYONBRSY-UHFFFAOYSA-N -1 3 352.383 0.976 20 30 FCEDHM N#Cc1c(N)sc2c1CCN(C(=O)c1cnccc1-c1nn[n-]n1)C2 ZINC001581860971 1280613975 /nfs/dbraw/zinc/61/39/75/1280613975.db2.gz BWXJHINYONBRSY-UHFFFAOYSA-N -1 3 352.383 0.976 20 30 FCEDHM N#Cc1cc(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001581864211 1280615830 /nfs/dbraw/zinc/61/58/30/1280615830.db2.gz MBABUBQCKQSYIY-UHFFFAOYSA-N -1 3 363.385 0.814 20 30 FCEDHM N#Cc1cc(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001581864211 1280615833 /nfs/dbraw/zinc/61/58/33/1280615833.db2.gz MBABUBQCKQSYIY-UHFFFAOYSA-N -1 3 363.385 0.814 20 30 FCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)c1 ZINC001581863461 1280616157 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355.402 0.701 20 30 FCEDHM C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588359110 1282472033 /nfs/dbraw/zinc/47/20/33/1282472033.db2.gz YKFXMCIXGBHUEB-LMWSTFAQSA-N -1 3 355.402 0.701 20 30 FCEDHM C#CCOCCC(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001588359403 1282474794 /nfs/dbraw/zinc/47/47/94/1282474794.db2.gz NMVGOMGGODEVBM-UHFFFAOYSA-N -1 3 372.404 0.690 20 30 FCEDHM C#CCOCCC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001588359403 1282474798 /nfs/dbraw/zinc/47/47/98/1282474798.db2.gz NMVGOMGGODEVBM-UHFFFAOYSA-N -1 3 372.404 0.690 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588360252 1282477810 /nfs/dbraw/zinc/47/78/10/1282477810.db2.gz MFPSJTZWBQGQJE-KBPBESRZSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588360252 1282477816 /nfs/dbraw/zinc/47/78/16/1282477816.db2.gz MFPSJTZWBQGQJE-KBPBESRZSA-N -1 3 369.429 0.951 20 30 FCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001588360487 1282479016 /nfs/dbraw/zinc/47/90/16/1282479016.db2.gz QWUSYUOSKFSQSA-DOMZBBRYSA-N -1 3 372.404 0.735 20 30 FCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588360487 1282479023 /nfs/dbraw/zinc/47/90/23/1282479023.db2.gz QWUSYUOSKFSQSA-DOMZBBRYSA-N -1 3 372.404 0.735 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588360664 1282479242 /nfs/dbraw/zinc/47/92/42/1282479242.db2.gz UMYIEKVGGDKSOE-DOMZBBRYSA-N -1 3 369.429 0.869 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588360664 1282479245 /nfs/dbraw/zinc/47/92/45/1282479245.db2.gz UMYIEKVGGDKSOE-DOMZBBRYSA-N -1 3 369.429 0.869 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588360902 1282479881 /nfs/dbraw/zinc/47/98/81/1282479881.db2.gz XUOCDDDHUZSESP-KGLIPLIRSA-N -1 3 369.429 0.808 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588360902 1282479887 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362.397 0.893 20 30 FCEDHM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)nc1 ZINC001588368749 1282493956 /nfs/dbraw/zinc/49/39/56/1282493956.db2.gz XWAGHVZMWPFZSU-GFCCVEGCSA-N -1 3 362.397 0.893 20 30 FCEDHM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)nc1 ZINC001588368749 1282493961 /nfs/dbraw/zinc/49/39/61/1282493961.db2.gz XWAGHVZMWPFZSU-GFCCVEGCSA-N -1 3 362.397 0.893 20 30 FCEDHM C#Cc1ccc(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001588368684 1282494294 /nfs/dbraw/zinc/49/42/94/1282494294.db2.gz WREVCPGULBZPPD-JTQLQIEISA-N -1 3 364.369 0.119 20 30 FCEDHM C#Cc1ccc(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001588368684 1282494300 /nfs/dbraw/zinc/49/43/00/1282494300.db2.gz WREVCPGULBZPPD-JTQLQIEISA-N -1 3 364.369 0.119 20 30 FCEDHM C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588380309 1282495788 /nfs/dbraw/zinc/49/57/88/1282495788.db2.gz AOTIGGIGHHMCRP-LBPRGKRZSA-N -1 3 362.397 0.893 20 30 FCEDHM 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C=CCO[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588666078 1282621018 /nfs/dbraw/zinc/62/10/18/1282621018.db2.gz YXVDFPGECBDIMD-CMPLNLGQSA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCO[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588666078 1282621031 /nfs/dbraw/zinc/62/10/31/1282621031.db2.gz YXVDFPGECBDIMD-CMPLNLGQSA-N -1 3 359.390 0.117 20 30 FCEDHM C=CCOCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588666987 1282624372 /nfs/dbraw/zinc/62/43/72/1282624372.db2.gz PBNCZOKZWMCVHL-ZDUSSCGKSA-N -1 3 373.417 0.460 20 30 FCEDHM C=CCOCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588666987 1282624381 /nfs/dbraw/zinc/62/43/81/1282624381.db2.gz PBNCZOKZWMCVHL-ZDUSSCGKSA-N -1 3 373.417 0.460 20 30 FCEDHM C=CCOCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588666946 1282624817 /nfs/dbraw/zinc/62/48/17/1282624817.db2.gz OOPHHGLHFIMRBV-UHFFFAOYSA-N -1 3 373.417 0.366 20 30 FCEDHM C=CCOCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588666946 1282624831 /nfs/dbraw/zinc/62/48/31/1282624831.db2.gz OOPHHGLHFIMRBV-UHFFFAOYSA-N -1 3 373.417 0.366 20 30 FCEDHM C=CCOCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001588674460 1282631680 /nfs/dbraw/zinc/63/16/80/1282631680.db2.gz OFJVUKMBPKNPLL-UHFFFAOYSA-N -1 3 373.417 0.542 20 30 FCEDHM C=CCOCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001588674460 1282631696 /nfs/dbraw/zinc/63/16/96/1282631696.db2.gz OFJVUKMBPKNPLL-UHFFFAOYSA-N -1 3 373.417 0.542 20 30 FCEDHM C=CCOCC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588674620 1282631898 /nfs/dbraw/zinc/63/18/98/1282631898.db2.gz QHKWLZGYXYAZGP-QGZVFWFLSA-N -1 3 373.417 0.366 20 30 FCEDHM C=CCOCC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588674620 1282631909 /nfs/dbraw/zinc/63/19/09/1282631909.db2.gz QHKWLZGYXYAZGP-QGZVFWFLSA-N -1 3 373.417 0.366 20 30 FCEDHM C=CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001588680721 1282638436 /nfs/dbraw/zinc/63/84/36/1282638436.db2.gz ARPTUIFZRAHHCB-KSSFIOAISA-N -1 3 369.429 0.939 20 30 FCEDHM C=CCOCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001588680721 1282638447 /nfs/dbraw/zinc/63/84/47/1282638447.db2.gz ARPTUIFZRAHHCB-KSSFIOAISA-N -1 3 369.429 0.939 20 30 FCEDHM C=CCOCCCNC(=O)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588681462 1282640274 /nfs/dbraw/zinc/64/02/74/1282640274.db2.gz CTCJINQWLSXWCY-UHFFFAOYSA-N -1 3 358.402 0.500 20 30 FCEDHM C=CCOCCCNC(=O)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588681462 1282640285 /nfs/dbraw/zinc/64/02/85/1282640285.db2.gz CTCJINQWLSXWCY-UHFFFAOYSA-N -1 3 358.402 0.500 20 30 FCEDHM C=CCOC[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)C(=O)OC ZINC001588681350 1282642147 /nfs/dbraw/zinc/64/21/47/1282642147.db2.gz MFBJJHAEYUBQSS-ZDUSSCGKSA-N -1 3 359.386 0.958 20 30 FCEDHM C=CCOC[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)C(=O)OC ZINC001588681350 1282642162 /nfs/dbraw/zinc/64/21/62/1282642162.db2.gz MFBJJHAEYUBQSS-ZDUSSCGKSA-N -1 3 359.386 0.958 20 30 FCEDHM C=CCOCCCC(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001588681362 1282642576 /nfs/dbraw/zinc/64/25/76/1282642576.db2.gz MOWOIJGQKADPDK-UHFFFAOYSA-N -1 3 374.449 0.540 20 30 FCEDHM C=CCOCCCC(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001588681362 1282642587 /nfs/dbraw/zinc/64/25/87/1282642587.db2.gz MOWOIJGQKADPDK-UHFFFAOYSA-N -1 3 374.449 0.540 20 30 FCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588682753 1282646271 /nfs/dbraw/zinc/64/62/71/1282646271.db2.gz SEZVVEPBYBJEEZ-CQSZACIVSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588682753 1282646284 /nfs/dbraw/zinc/64/62/84/1282646284.db2.gz SEZVVEPBYBJEEZ-CQSZACIVSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)n2C)nnc1N1CC[C@H](OC)C1 ZINC001588696188 1282647454 /nfs/dbraw/zinc/64/74/54/1282647454.db2.gz KHXDXTQSXNIZRU-NSHDSACASA-N -1 3 355.406 0.875 20 30 FCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)n2C)nnc1N1CC[C@H](OC)C1 ZINC001588696188 1282647471 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C=CCn1c(CCO)nnc1N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588703406 1282652788 /nfs/dbraw/zinc/65/27/88/1282652788.db2.gz OYBYJVMUHKIZMS-UHFFFAOYSA-N -1 3 354.418 0.858 20 30 FCEDHM C=CCn1cc(C(=O)N(C)C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588710892 1282655067 /nfs/dbraw/zinc/65/50/67/1282655067.db2.gz FXFDJDZWHRDYJM-CQSZACIVSA-N -1 3 354.374 0.450 20 30 FCEDHM C=CCn1cc(C(=O)N(C)C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588710892 1282655081 /nfs/dbraw/zinc/65/50/81/1282655081.db2.gz FXFDJDZWHRDYJM-CQSZACIVSA-N -1 3 354.374 0.450 20 30 FCEDHM C=CCn1cc(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)nn1 ZINC001588713098 1282655452 /nfs/dbraw/zinc/65/54/52/1282655452.db2.gz FHLJGGUOAPJNHF-LLVKDONJSA-N -1 3 368.405 0.660 20 30 FCEDHM C=CCn1cc(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)nn1 ZINC001588713098 1282655462 /nfs/dbraw/zinc/65/54/62/1282655462.db2.gz FHLJGGUOAPJNHF-LLVKDONJSA-N -1 3 368.405 0.660 20 30 FCEDHM C=CCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001588711048 1282657881 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351.436 0.877 20 30 FCEDHM C=C(Cl)C[C@H]1NC(=O)N(CCNc2ncccc2-c2nnn[n-]2)C1=O ZINC001602767807 1287107766 /nfs/dbraw/zinc/10/77/66/1287107766.db2.gz NQJIQBXTWWUHFY-SNVBAGLBSA-N -1 3 362.781 0.737 20 30 FCEDHM C=C(Cl)C[C@H]1NC(=O)N(CCNc2ncccc2-c2nn[n-]n2)C1=O ZINC001602767807 1287107771 /nfs/dbraw/zinc/10/77/71/1287107771.db2.gz NQJIQBXTWWUHFY-SNVBAGLBSA-N -1 3 362.781 0.737 20 30 FCEDHM C=C1CC(C)(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001602770270 1287108989 /nfs/dbraw/zinc/10/89/89/1287108989.db2.gz IZIQRNJTZRANKC-UHFFFAOYSA-N -1 3 357.418 0.851 20 30 FCEDHM C=C1CC(C)(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001602770270 1287108991 /nfs/dbraw/zinc/10/89/91/1287108991.db2.gz IZIQRNJTZRANKC-UHFFFAOYSA-N -1 3 357.418 0.851 20 30 FCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2OC)C1 ZINC001602773107 1287111039 /nfs/dbraw/zinc/11/10/39/1287111039.db2.gz MFZBEMKZKHQWTC-HUUCEWRRSA-N -1 3 369.429 0.938 20 30 FCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2OC)C1 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1282497840 /nfs/dbraw/zinc/49/78/40/1282497840.db2.gz CXUTWMIVMRXLSX-UHFFFAOYSA-N -1 3 366.223 0.861 20 30 FCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588405821 1282499885 /nfs/dbraw/zinc/49/98/85/1282499885.db2.gz PXFJOBAXUZFSJL-HNNXBMFYSA-N -1 3 372.433 0.603 20 30 FCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588405821 1282499888 /nfs/dbraw/zinc/49/98/88/1282499888.db2.gz PXFJOBAXUZFSJL-HNNXBMFYSA-N -1 3 372.433 0.603 20 30 FCEDHM C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001588419732 1282504617 /nfs/dbraw/zinc/50/46/17/1282504617.db2.gz CMNIDKRHXQPZHE-UHFFFAOYSA-N -1 3 358.442 0.787 20 30 FCEDHM C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588474902 1282513888 /nfs/dbraw/zinc/51/38/88/1282513888.db2.gz HWIVAEPYOFKXCM-UHFFFAOYSA-N -1 3 373.417 0.100 20 30 FCEDHM C=CC(C)(C)C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588474902 1282513898 /nfs/dbraw/zinc/51/38/98/1282513898.db2.gz 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C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588501276 1282538319 /nfs/dbraw/zinc/53/83/19/1282538319.db2.gz LVTGGPDFJNUVHP-CXAGYDPISA-N -1 3 357.418 0.992 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588501276 1282538326 /nfs/dbraw/zinc/53/83/26/1282538326.db2.gz LVTGGPDFJNUVHP-CXAGYDPISA-N -1 3 357.418 0.992 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588504578 1282544275 /nfs/dbraw/zinc/54/42/75/1282544275.db2.gz LFDGQPDGWCVFMV-ACJLOTCBSA-N -1 3 371.445 0.921 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588504578 1282544282 /nfs/dbraw/zinc/54/42/82/1282544282.db2.gz LFDGQPDGWCVFMV-ACJLOTCBSA-N -1 3 371.445 0.921 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001588504618 1282545633 /nfs/dbraw/zinc/54/56/33/1282545633.db2.gz LTUPYYQSLGYWDD-UGSOOPFHSA-N -1 3 371.445 0.982 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001588504618 1282545643 /nfs/dbraw/zinc/54/56/43/1282545643.db2.gz LTUPYYQSLGYWDD-UGSOOPFHSA-N -1 3 371.445 0.982 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588505783 1282547546 /nfs/dbraw/zinc/54/75/46/1282547546.db2.gz XIJNIEOAKBWHNE-GUYCJALGSA-N -1 3 357.418 0.896 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588505783 1282547555 /nfs/dbraw/zinc/54/75/55/1282547555.db2.gz XIJNIEOAKBWHNE-GUYCJALGSA-N -1 3 357.418 0.896 20 30 FCEDHM CN(C[C@@H](O)c1cccnc1)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001637033982 1282552370 /nfs/dbraw/zinc/55/23/70/1282552370.db2.gz BHDGDXSOSIUQTJ-CQSZACIVSA-N -1 3 374.422 0.312 20 30 FCEDHM C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588524318 1282558047 /nfs/dbraw/zinc/55/80/47/1282558047.db2.gz PTSSPNSUNKKFPJ-SCLBCKFNSA-N -1 3 371.445 0.921 20 30 FCEDHM C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588524318 1282558056 /nfs/dbraw/zinc/55/80/56/1282558056.db2.gz PTSSPNSUNKKFPJ-SCLBCKFNSA-N -1 3 371.445 0.921 20 30 FCEDHM C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001588532845 1282560201 /nfs/dbraw/zinc/56/02/01/1282560201.db2.gz HPUVPJJAQVEKGA-NSHDSACASA-N -1 3 363.397 0.892 20 30 FCEDHM C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001588532845 1282560213 /nfs/dbraw/zinc/56/02/13/1282560213.db2.gz HPUVPJJAQVEKGA-NSHDSACASA-N -1 3 363.397 0.892 20 30 FCEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001588533400 1282564927 /nfs/dbraw/zinc/56/49/27/1282564927.db2.gz XFFLNIXQVLODOG-UKRRQHHQSA-N -1 3 371.445 0.920 20 30 FCEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001588533400 1282564940 /nfs/dbraw/zinc/56/49/40/1282564940.db2.gz XFFLNIXQVLODOG-UKRRQHHQSA-N -1 3 371.445 0.920 20 30 FCEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001588533401 1282565175 /nfs/dbraw/zinc/56/51/75/1282565175.db2.gz XFFLNIXQVLODOG-ZFWWWQNUSA-N -1 3 371.445 0.920 20 30 FCEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001588533401 1282565186 /nfs/dbraw/zinc/56/51/86/1282565186.db2.gz XFFLNIXQVLODOG-ZFWWWQNUSA-N -1 3 371.445 0.920 20 30 FCEDHM C=CCCC(=O)NCCN1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588573020 1282573415 /nfs/dbraw/zinc/57/34/15/1282573415.db2.gz YKNDNQVPYZKGLI-UHFFFAOYSA-N -1 3 370.461 0.775 20 30 FCEDHM C=CCCC(=O)NCCN1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588573020 1282573424 /nfs/dbraw/zinc/57/34/24/1282573424.db2.gz YKNDNQVPYZKGLI-UHFFFAOYSA-N -1 3 370.461 0.775 20 30 FCEDHM C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001588587582 1282575774 /nfs/dbraw/zinc/57/57/74/1282575774.db2.gz YNZQOYAVIQVYFE-CABCVRRESA-N -1 3 371.445 0.982 20 30 FCEDHM C=CCCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001588587582 1282575784 /nfs/dbraw/zinc/57/57/84/1282575784.db2.gz YNZQOYAVIQVYFE-CABCVRRESA-N -1 3 371.445 0.982 20 30 FCEDHM C=CCCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588586686 1282576090 /nfs/dbraw/zinc/57/60/90/1282576090.db2.gz LAHAMTLSQFGAKV-UHFFFAOYSA-N -1 3 373.417 0.244 20 30 FCEDHM C=CCCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588586686 1282576100 /nfs/dbraw/zinc/57/61/00/1282576100.db2.gz LAHAMTLSQFGAKV-UHFFFAOYSA-N -1 3 373.417 0.244 20 30 FCEDHM C=CCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588600468 1282580421 /nfs/dbraw/zinc/58/04/21/1282580421.db2.gz CBNRYUHMNBDMEK-UHFFFAOYSA-N -1 3 374.401 0.913 20 30 FCEDHM C=CCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588600468 1282580435 /nfs/dbraw/zinc/58/04/35/1282580435.db2.gz CBNRYUHMNBDMEK-UHFFFAOYSA-N -1 3 374.401 0.913 20 30 FCEDHM C=CCCCNC(=O)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588600507 1282581674 /nfs/dbraw/zinc/58/16/74/1282581674.db2.gz DQLGWNSODJNADW-UHFFFAOYSA-N -1 3 372.429 0.924 20 30 FCEDHM C=CCCCNC(=O)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588600507 1282581682 /nfs/dbraw/zinc/58/16/82/1282581682.db2.gz DQLGWNSODJNADW-UHFFFAOYSA-N -1 3 372.429 0.924 20 30 FCEDHM C=CCCO[C@@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588608591 1282583847 /nfs/dbraw/zinc/58/38/47/1282583847.db2.gz OOXQKFGZGBOPST-ZDUSSCGKSA-N -1 3 357.418 0.892 20 30 FCEDHM C=CCCO[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588608591 1282583855 /nfs/dbraw/zinc/58/38/55/1282583855.db2.gz OOXQKFGZGBOPST-ZDUSSCGKSA-N -1 3 357.418 0.892 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588632528 1282601283 /nfs/dbraw/zinc/60/12/83/1282601283.db2.gz USYRYYPMNDGAGX-UHFFFAOYSA-N -1 3 372.429 0.529 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588632528 1282601299 /nfs/dbraw/zinc/60/12/99/1282601299.db2.gz USYRYYPMNDGAGX-UHFFFAOYSA-N -1 3 372.429 0.529 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCN1CCOCC1 ZINC001588641874 1282605084 /nfs/dbraw/zinc/60/50/84/1282605084.db2.gz NZOPFYSEHXFOOW-UHFFFAOYSA-N -1 3 371.445 0.897 20 30 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CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589385126 1282859470 /nfs/dbraw/zinc/85/94/70/1282859470.db2.gz WZHMPCIHVDCVCP-JYAVWHMHSA-N -1 3 353.386 0.041 20 30 FCEDHM CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589385126 1282859476 /nfs/dbraw/zinc/85/94/76/1282859476.db2.gz WZHMPCIHVDCVCP-JYAVWHMHSA-N -1 3 353.386 0.041 20 30 FCEDHM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001589384742 1282859812 /nfs/dbraw/zinc/85/98/12/1282859812.db2.gz PARRYGQKUSQVMP-GASCZTMLSA-N -1 3 351.414 0.816 20 30 FCEDHM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001589384742 1282859827 /nfs/dbraw/zinc/85/98/27/1282859827.db2.gz PARRYGQKUSQVMP-GASCZTMLSA-N -1 3 351.414 0.816 20 30 FCEDHM CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001589384998 1282861415 /nfs/dbraw/zinc/86/14/15/1282861415.db2.gz UGBDLAGCPKLTQY-TZMCWYRMSA-N -1 3 369.429 0.964 20 30 FCEDHM CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001589384998 1282861424 /nfs/dbraw/zinc/86/14/24/1282861424.db2.gz UGBDLAGCPKLTQY-TZMCWYRMSA-N -1 3 369.429 0.964 20 30 FCEDHM CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001589384944 1282861517 /nfs/dbraw/zinc/86/15/17/1282861517.db2.gz SBIBRRQDQXJESH-YPMHNXCESA-N -1 3 355.402 0.573 20 30 FCEDHM CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001589384944 1282861531 /nfs/dbraw/zinc/86/15/31/1282861531.db2.gz SBIBRRQDQXJESH-YPMHNXCESA-N -1 3 355.402 0.573 20 30 FCEDHM CC(C)C#CC(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589387974 1282865728 /nfs/dbraw/zinc/86/57/28/1282865728.db2.gz RCZNLXLMBQCSMV-UHFFFAOYSA-N -1 3 368.441 0.579 20 30 FCEDHM CC(C)C#CC(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589387974 1282865738 /nfs/dbraw/zinc/86/57/38/1282865738.db2.gz RCZNLXLMBQCSMV-UHFFFAOYSA-N -1 3 368.441 0.579 20 30 FCEDHM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nnn[n-]2)cn1 ZINC001604308364 1287602895 /nfs/dbraw/zinc/60/28/95/1287602895.db2.gz SGIGTSUTOKRGAG-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC001604308364 1287602906 /nfs/dbraw/zinc/60/29/06/1287602906.db2.gz SGIGTSUTOKRGAG-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589697627 1282950140 /nfs/dbraw/zinc/95/01/40/1282950140.db2.gz POBLKWYAMDVMLI-UHFFFAOYSA-N -1 3 369.429 0.917 20 30 FCEDHM CC(C)N(CCN(C)C(=O)C#CC1CC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589697627 1282950155 /nfs/dbraw/zinc/95/01/55/1282950155.db2.gz POBLKWYAMDVMLI-UHFFFAOYSA-N -1 3 369.429 0.917 20 30 FCEDHM C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001589786757 1283003920 /nfs/dbraw/zinc/00/39/20/1283003920.db2.gz BWHLAVARJVGKKP-YGRLFVJLSA-N -1 3 361.431 0.402 20 30 FCEDHM C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001589786757 1283003934 /nfs/dbraw/zinc/00/39/34/1283003934.db2.gz BWHLAVARJVGKKP-YGRLFVJLSA-N -1 3 361.431 0.402 20 30 FCEDHM C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589820785 1283058981 /nfs/dbraw/zinc/05/89/81/1283058981.db2.gz MPTXVARLZVNMQJ-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589820785 1283058988 /nfs/dbraw/zinc/05/89/88/1283058988.db2.gz MPTXVARLZVNMQJ-JTQLQIEISA-N -1 3 366.389 0.867 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CSCC#N ZINC001589840768 1283077543 /nfs/dbraw/zinc/07/75/43/1283077543.db2.gz OEKAMFWEDZUPJG-VIFPVBQESA-N -1 3 362.419 0.028 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CSCC#N ZINC001589840768 1283077552 /nfs/dbraw/zinc/07/75/52/1283077552.db2.gz OEKAMFWEDZUPJG-VIFPVBQESA-N -1 3 362.419 0.028 20 30 FCEDHM C[C@@H](CNC(=O)CSCC#N)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001589856672 1283092133 /nfs/dbraw/zinc/09/21/33/1283092133.db2.gz XYLDPGJAJIXWHF-VIFPVBQESA-N -1 3 364.410 0.598 20 30 FCEDHM C[C@@H](CNC(=O)CSCC#N)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001589856672 1283092147 /nfs/dbraw/zinc/09/21/47/1283092147.db2.gz XYLDPGJAJIXWHF-VIFPVBQESA-N -1 3 364.410 0.598 20 30 FCEDHM C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589915316 1283126185 /nfs/dbraw/zinc/12/61/85/1283126185.db2.gz GSMPSEDYHWIVCU-SNVBAGLBSA-N -1 3 365.357 0.403 20 30 FCEDHM C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589915316 1283126193 /nfs/dbraw/zinc/12/61/93/1283126193.db2.gz GSMPSEDYHWIVCU-SNVBAGLBSA-N -1 3 365.357 0.403 20 30 FCEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CSCC#N ZINC001589926703 1283134540 /nfs/dbraw/zinc/13/45/40/1283134540.db2.gz WDMIWZGZNCPFKZ-DTWKUNHWSA-N -1 3 362.419 0.075 20 30 FCEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CSCC#N ZINC001589926703 1283134544 /nfs/dbraw/zinc/13/45/44/1283134544.db2.gz WDMIWZGZNCPFKZ-DTWKUNHWSA-N -1 3 362.419 0.075 20 30 FCEDHM C[C@H](NC(=O)CSCC#N)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589926788 1283134710 /nfs/dbraw/zinc/13/47/10/1283134710.db2.gz WDMIWZGZNCPFKZ-IUCAKERBSA-N -1 3 362.419 0.075 20 30 FCEDHM C[C@H](NC(=O)CSCC#N)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589926788 1283134713 /nfs/dbraw/zinc/13/47/13/1283134713.db2.gz WDMIWZGZNCPFKZ-IUCAKERBSA-N -1 3 362.419 0.075 20 30 FCEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589980439 1283156263 /nfs/dbraw/zinc/15/62/63/1283156263.db2.gz AOOABJHTEOBLEA-DOMZBBRYSA-N -1 3 367.413 0.703 20 30 FCEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589980439 1283156269 /nfs/dbraw/zinc/15/62/69/1283156269.db2.gz AOOABJHTEOBLEA-DOMZBBRYSA-N -1 3 367.413 0.703 20 30 FCEDHM C[C@H](O)[C@H](O)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589997079 1283165187 /nfs/dbraw/zinc/16/51/87/1283165187.db2.gz PSTIYJCMEYCFME-IINYFYTJSA-N -1 3 357.418 0.946 20 30 FCEDHM C[C@H](O)[C@H](O)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589997079 1283165190 /nfs/dbraw/zinc/16/51/90/1283165190.db2.gz PSTIYJCMEYCFME-IINYFYTJSA-N -1 3 357.418 0.946 20 30 FCEDHM C[C@]1(C#N)CN(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CCO1 ZINC001590057020 1283191149 /nfs/dbraw/zinc/19/11/49/1283191149.db2.gz WSAPYYGTBIOVQY-PBHICJAKSA-N -1 3 353.386 0.658 20 30 FCEDHM C[C@]1(C#N)CN(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CCO1 ZINC001590057020 1283191152 /nfs/dbraw/zinc/19/11/52/1283191152.db2.gz WSAPYYGTBIOVQY-PBHICJAKSA-N -1 3 353.386 0.658 20 30 FCEDHM C[C@@]1(C2CCN(c3c(C#N)cccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC001590121133 1283229196 /nfs/dbraw/zinc/22/91/96/1283229196.db2.gz YQHMJWZAEDKEJW-KRWDZBQOSA-N -1 3 366.385 0.553 20 30 FCEDHM C[C@@]1(C2CCN(c3c(C#N)cccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC001590121133 1283229201 /nfs/dbraw/zinc/22/92/01/1283229201.db2.gz YQHMJWZAEDKEJW-KRWDZBQOSA-N -1 3 366.385 0.553 20 30 FCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C#CC1CC1 ZINC001590172330 1283272660 /nfs/dbraw/zinc/27/26/60/1283272660.db2.gz YCESFZYQUCRYBY-FZMZJTMJSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C#CC1CC1 ZINC001590172330 1283272666 /nfs/dbraw/zinc/27/26/66/1283272666.db2.gz YCESFZYQUCRYBY-FZMZJTMJSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590195767 1283302961 /nfs/dbraw/zinc/30/29/61/1283302961.db2.gz DXAUELYBBXPICJ-ZYHUDNBSSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590195767 1283302970 /nfs/dbraw/zinc/30/29/70/1283302970.db2.gz DXAUELYBBXPICJ-ZYHUDNBSSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)C#CC1CC1 ZINC001590201388 1283317257 /nfs/dbraw/zinc/31/72/57/1283317257.db2.gz BSHDBEQWMKAEEC-JQWIXIFHSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)C#CC1CC1 ZINC001590201388 1283317263 /nfs/dbraw/zinc/31/72/63/1283317263.db2.gz BSHDBEQWMKAEEC-JQWIXIFHSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590230553 1283360408 /nfs/dbraw/zinc/36/04/08/1283360408.db2.gz KLPLNSIGXBVWOO-SMDDNHRTSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590230553 1283360421 /nfs/dbraw/zinc/36/04/21/1283360421.db2.gz KLPLNSIGXBVWOO-SMDDNHRTSA-N -1 3 367.413 0.718 20 30 FCEDHM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590292965 1283425516 /nfs/dbraw/zinc/42/55/16/1283425516.db2.gz SRNLUHDSWRDYCN-JOYOIKCWSA-N -1 3 374.430 0.028 20 30 FCEDHM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590292965 1283425522 /nfs/dbraw/zinc/42/55/22/1283425522.db2.gz SRNLUHDSWRDYCN-JOYOIKCWSA-N -1 3 374.430 0.028 20 30 FCEDHM C[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)N1CC#N ZINC001590302556 1283441827 /nfs/dbraw/zinc/44/18/27/1283441827.db2.gz 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RNIPIKGPSFFWNM-IUODEOHRSA-N -1 3 372.433 0.954 20 30 FCEDHM C=C(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)OC ZINC001602756599 1287104565 /nfs/dbraw/zinc/10/45/65/1287104565.db2.gz RTUYMZWALXHLIG-NSHDSACASA-N -1 3 369.378 0.792 20 30 FCEDHM C=C(C)CCC(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001602759169 1287105228 /nfs/dbraw/zinc/10/52/28/1287105228.db2.gz ANVMDTNARMJPIW-UHFFFAOYSA-N -1 3 370.461 0.856 20 30 FCEDHM C=C(C)CCC(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001602759169 1287105235 /nfs/dbraw/zinc/10/52/35/1287105235.db2.gz ANVMDTNARMJPIW-UHFFFAOYSA-N -1 3 370.461 0.856 20 30 FCEDHM C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001602759975 1287106511 /nfs/dbraw/zinc/10/65/11/1287106511.db2.gz VFPVSHXCEFRLFK-KRWDZBQOSA-N -1 3 373.417 0.244 20 30 FCEDHM C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001602759975 1287106515 /nfs/dbraw/zinc/10/65/15/1287106515.db2.gz VFPVSHXCEFRLFK-KRWDZBQOSA-N -1 3 373.417 0.244 20 30 FCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001602759761 1287107338 /nfs/dbraw/zinc/10/73/38/1287107338.db2.gz QMSNPMDGTFYSNL-GOSISDBHSA-N -1 3 371.445 0.984 20 30 FCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001602759761 1287107346 /nfs/dbraw/zinc/10/73/46/1287107346.db2.gz QMSNPMDGTFYSNL-GOSISDBHSA-N -1 3 371.445 0.984 20 30 FCEDHM C=C(C)CCC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602760122 1287107723 /nfs/dbraw/zinc/10/77/23/1287107723.db2.gz ZXQLHXCFQTVCDS-UHFFFAOYSA-N -1 3 371.449 0.251 20 30 FCEDHM C=C(CC)CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001602768512 1287109297 /nfs/dbraw/zinc/10/92/97/1287109297.db2.gz ZVHAFDOQAZDICA-CQSZACIVSA-N -1 3 358.402 0.441 20 30 FCEDHM C=C(CC)CNC(=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001602768512 1287109302 /nfs/dbraw/zinc/10/93/02/1287109302.db2.gz ZVHAFDOQAZDICA-CQSZACIVSA-N -1 3 358.402 0.441 20 30 FCEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602790131 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FCEDHM C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001602795646 1287121163 /nfs/dbraw/zinc/12/11/63/1287121163.db2.gz UQDSXCSIXFRUEB-YVEFUNNKSA-N -1 3 373.417 0.228 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001602795646 1287121168 /nfs/dbraw/zinc/12/11/68/1287121168.db2.gz UQDSXCSIXFRUEB-YVEFUNNKSA-N -1 3 373.417 0.228 20 30 FCEDHM C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1OC ZINC001602826421 1287125885 /nfs/dbraw/zinc/12/58/85/1287125885.db2.gz GURBGWPZNIOOMK-ZIAGYGMSSA-N -1 3 357.418 0.856 20 30 FCEDHM C=CCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1OC ZINC001602826421 1287125891 /nfs/dbraw/zinc/12/58/91/1287125891.db2.gz GURBGWPZNIOOMK-ZIAGYGMSSA-N -1 3 357.418 0.856 20 30 FCEDHM C=CCCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001602834154 1287128049 /nfs/dbraw/zinc/12/80/49/1287128049.db2.gz ILUCJZSXYIPUOX-CQSZACIVSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001602834154 1287128055 /nfs/dbraw/zinc/12/80/55/1287128055.db2.gz ILUCJZSXYIPUOX-CQSZACIVSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCCCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001602832694 1287129074 /nfs/dbraw/zinc/12/90/74/1287129074.db2.gz WLNSGZPGDKIKGG-UONOGXRCSA-N -1 3 357.418 0.674 20 30 FCEDHM C=CCCCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001602832694 1287129080 /nfs/dbraw/zinc/12/90/80/1287129080.db2.gz WLNSGZPGDKIKGG-UONOGXRCSA-N -1 3 357.418 0.674 20 30 FCEDHM C=CCCOCC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001602844295 1287134130 /nfs/dbraw/zinc/13/41/30/1287134130.db2.gz NQMZHVNKONJCKZ-UHFFFAOYSA-N -1 3 359.390 0.166 20 30 FCEDHM C=CCCOCC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001602844295 1287134137 /nfs/dbraw/zinc/13/41/37/1287134137.db2.gz NQMZHVNKONJCKZ-UHFFFAOYSA-N -1 3 359.390 0.166 20 30 FCEDHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001602845231 1287134217 /nfs/dbraw/zinc/13/42/17/1287134217.db2.gz YQTLKNYIZOEOBE-FZMZJTMJSA-N -1 3 373.417 0.364 20 30 FCEDHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001602845231 1287134225 /nfs/dbraw/zinc/13/42/25/1287134225.db2.gz YQTLKNYIZOEOBE-FZMZJTMJSA-N -1 3 373.417 0.364 20 30 FCEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001602847390 1287136445 /nfs/dbraw/zinc/13/64/45/1287136445.db2.gz SDIYZCCGQWKIMK-LLVKDONJSA-N -1 3 363.403 0.469 20 30 FCEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001602847390 1287136449 /nfs/dbraw/zinc/13/64/49/1287136449.db2.gz SDIYZCCGQWKIMK-LLVKDONJSA-N -1 3 363.403 0.469 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602851904 1287136560 /nfs/dbraw/zinc/13/65/60/1287136560.db2.gz BTJPDBRDXKDTOI-LBPRGKRZSA-N -1 3 358.402 0.705 20 30 FCEDHM C=CCN(CCOC)C(=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602851904 1287136563 /nfs/dbraw/zinc/13/65/63/1287136563.db2.gz BTJPDBRDXKDTOI-LBPRGKRZSA-N -1 3 358.402 0.705 20 30 FCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001602849508 1287136785 /nfs/dbraw/zinc/13/67/85/1287136785.db2.gz AYZFMJYHDHOISK-UHFFFAOYSA-N -1 3 352.376 0.002 20 30 FCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001602849508 1287136793 /nfs/dbraw/zinc/13/67/93/1287136793.db2.gz AYZFMJYHDHOISK-UHFFFAOYSA-N -1 3 352.376 0.002 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCS(N)(=O)=O ZINC001602853839 1287138271 /nfs/dbraw/zinc/13/82/71/1287138271.db2.gz JNWIMSRVXDITRX-UHFFFAOYSA-N -1 3 364.431 0.450 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCS(N)(=O)=O ZINC001602853839 1287138274 /nfs/dbraw/zinc/13/82/74/1287138274.db2.gz JNWIMSRVXDITRX-UHFFFAOYSA-N -1 3 364.431 0.450 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc([C@@H](O)COC)n1C ZINC001602859697 1287138425 /nfs/dbraw/zinc/13/84/25/1287138425.db2.gz GDENKOIZPMKGAA-AWEZNQCLSA-N -1 3 370.417 0.868 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc([C@@H](O)COC)n1C ZINC001602859697 1287138428 /nfs/dbraw/zinc/13/84/28/1287138428.db2.gz GDENKOIZPMKGAA-AWEZNQCLSA-N -1 3 370.417 0.868 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N(C)CCCOC ZINC001602853779 1287138538 /nfs/dbraw/zinc/13/85/38/1287138538.db2.gz IEVWIERFSODQFM-UHFFFAOYSA-N -1 3 372.429 0.876 20 30 FCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N(C)CCCOC ZINC001602853779 1287138546 /nfs/dbraw/zinc/13/85/46/1287138546.db2.gz IEVWIERFSODQFM-UHFFFAOYSA-N -1 3 372.429 0.876 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001602867100 1287140534 /nfs/dbraw/zinc/14/05/34/1287140534.db2.gz VQICYOBTFMYKBX-SNVBAGLBSA-N -1 3 359.390 0.069 20 30 FCEDHM C=CCO[C@H](C)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001602867100 1287140539 /nfs/dbraw/zinc/14/05/39/1287140539.db2.gz VQICYOBTFMYKBX-SNVBAGLBSA-N -1 3 359.390 0.069 20 30 FCEDHM C=CCOCCCNC(=O)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602871270 1287143954 /nfs/dbraw/zinc/14/39/54/1287143954.db2.gz OQZWDAMCOVVCNJ-UHFFFAOYSA-N -1 3 358.402 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/nfs/dbraw/zinc/88/97/28/1271889728.db2.gz NQMDEPXKFUUSEI-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575303365 1271889742 /nfs/dbraw/zinc/88/97/42/1271889742.db2.gz NQMDEPXKFUUSEI-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575303933 1271893260 /nfs/dbraw/zinc/89/32/60/1271893260.db2.gz QYDGSUHBHPSOKT-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575303933 1271893274 /nfs/dbraw/zinc/89/32/74/1271893274.db2.gz QYDGSUHBHPSOKT-IUCAKERBSA-N -1 3 367.373 0.331 20 30 FCEDHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)Nc1ccncc1C#N ZINC001575305234 1271893583 /nfs/dbraw/zinc/89/35/83/1271893583.db2.gz WJEJOZNMMRIYQP-UWVGGRQHSA-N -1 3 351.374 0.502 20 30 FCEDHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)Nc1ccncc1C#N ZINC001575305234 1271893597 /nfs/dbraw/zinc/89/35/97/1271893597.db2.gz WJEJOZNMMRIYQP-UWVGGRQHSA-N -1 3 351.374 0.502 20 30 FCEDHM C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575975743 1272632124 /nfs/dbraw/zinc/63/21/24/1272632124.db2.gz GAUFGRKLVNWNIL-GXFFZTMASA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575975743 1272632132 /nfs/dbraw/zinc/63/21/32/1272632132.db2.gz GAUFGRKLVNWNIL-GXFFZTMASA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575975746 1272632322 /nfs/dbraw/zinc/63/23/22/1272632322.db2.gz GAUFGRKLVNWNIL-MFKMUULPSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575975746 1272632329 /nfs/dbraw/zinc/63/23/29/1272632329.db2.gz GAUFGRKLVNWNIL-MFKMUULPSA-N -1 3 353.386 0.327 20 30 FCEDHM C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576064763 1272819606 /nfs/dbraw/zinc/81/96/06/1272819606.db2.gz ZGNBLJANGPEOPA-VHSXEESVSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576064763 1272819624 /nfs/dbraw/zinc/81/96/24/1272819624.db2.gz ZGNBLJANGPEOPA-VHSXEESVSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1Nc1ccncc1C#N ZINC001576282936 1273089854 /nfs/dbraw/zinc/08/98/54/1273089854.db2.gz MJTJHIZUROWNLS-MEBBXXQBSA-N -1 3 363.385 0.456 20 30 FCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1Nc1ccncc1C#N ZINC001576282936 1273089864 /nfs/dbraw/zinc/08/98/64/1273089864.db2.gz MJTJHIZUROWNLS-MEBBXXQBSA-N -1 3 363.385 0.456 20 30 FCEDHM C[C@@H]1CN(C[C@@H]2CCCN2c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@@H](C)O1 ZINC001576361279 1273184712 /nfs/dbraw/zinc/18/47/12/1273184712.db2.gz SAOBWYCLJNCOTC-UPJWGTAASA-N -1 3 369.433 0.606 20 30 FCEDHM C[C@@H]1CN(C[C@@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001576361279 1273184714 /nfs/dbraw/zinc/18/47/14/1273184714.db2.gz SAOBWYCLJNCOTC-UPJWGTAASA-N -1 3 369.433 0.606 20 30 FCEDHM C[C@H]1COCCN1C1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001576378238 1273210514 /nfs/dbraw/zinc/21/05/14/1273210514.db2.gz PLNVLEKSJGKQRA-NSHDSACASA-N -1 3 355.406 0.218 20 30 FCEDHM C[C@H]1COCCN1C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001576378238 1273210518 /nfs/dbraw/zinc/21/05/18/1273210518.db2.gz PLNVLEKSJGKQRA-NSHDSACASA-N -1 3 355.406 0.218 20 30 FCEDHM CCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577114270 1274170595 /nfs/dbraw/zinc/17/05/95/1274170595.db2.gz ZMHKBDSWFRVVLE-LLVKDONJSA-N -1 3 370.417 0.855 20 30 FCEDHM CCC[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CCN1CCOC ZINC001577392977 1274393261 /nfs/dbraw/zinc/39/32/61/1274393261.db2.gz NNARAIIJUCKVFC-LBPRGKRZSA-N -1 3 357.422 0.465 20 30 FCEDHM CCCN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncc(C#N)n1 ZINC001577638948 1274627925 /nfs/dbraw/zinc/62/79/25/1274627925.db2.gz BXTBWYSZBXTPOS-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM CCCN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncc(C#N)n1 ZINC001577638948 1274627926 /nfs/dbraw/zinc/62/79/26/1274627926.db2.gz BXTBWYSZBXTPOS-UHFFFAOYSA-N -1 3 366.389 0.503 20 30 FCEDHM Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001580770497 1278900274 /nfs/dbraw/zinc/90/02/74/1278900274.db2.gz KYWSSPOVCBGZKR-SNVBAGLBSA-N -1 3 366.389 0.738 20 30 FCEDHM Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001580770497 1278900276 /nfs/dbraw/zinc/90/02/76/1278900276.db2.gz KYWSSPOVCBGZKR-SNVBAGLBSA-N -1 3 366.389 0.738 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578062187 1275358548 /nfs/dbraw/zinc/35/85/48/1275358548.db2.gz VJFGOYMYXCGWGP-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578062187 1275358555 /nfs/dbraw/zinc/35/85/55/1275358555.db2.gz VJFGOYMYXCGWGP-UHFFFAOYSA-N -1 3 351.374 0.718 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001578062366 1275359377 /nfs/dbraw/zinc/35/93/77/1275359377.db2.gz YRTCYDGTTOFKNX-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001578062366 1275359382 /nfs/dbraw/zinc/35/93/82/1275359382.db2.gz YRTCYDGTTOFKNX-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001578067001 1275366933 /nfs/dbraw/zinc/36/69/33/1275366933.db2.gz KNTVRIBIRXRPRJ-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001578067001 1275366937 /nfs/dbraw/zinc/36/69/37/1275366937.db2.gz KNTVRIBIRXRPRJ-UHFFFAOYSA-N -1 3 367.373 0.287 20 30 FCEDHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H](C)C#N ZINC001578460161 1275862048 /nfs/dbraw/zinc/86/20/48/1275862048.db2.gz BVIZURUNKBQVCF-SUZMYJTESA-N -1 3 356.390 0.464 20 30 FCEDHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(c2ccncc2C#N)C1 ZINC001578898944 1276435953 /nfs/dbraw/zinc/43/59/53/1276435953.db2.gz PHCSWPWVJBTFKC-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(c2ccncc2C#N)C1 ZINC001578898944 1276435962 /nfs/dbraw/zinc/43/59/62/1276435962.db2.gz PHCSWPWVJBTFKC-ZDUSSCGKSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC001578899258 1276437429 /nfs/dbraw/zinc/43/74/29/1276437429.db2.gz YNLWUHVDNFIYJB-AWEZNQCLSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC001578899258 1276437436 /nfs/dbraw/zinc/43/74/36/1276437436.db2.gz YNLWUHVDNFIYJB-AWEZNQCLSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)CSCC#N)C1 ZINC001578914232 1276456437 /nfs/dbraw/zinc/45/64/37/1276456437.db2.gz ZABHHHJRDWDMPL-UHFFFAOYSA-N -1 3 374.430 0.171 20 30 FCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)CSCC#N)C1 ZINC001578914232 1276456444 /nfs/dbraw/zinc/45/64/44/1276456444.db2.gz ZABHHHJRDWDMPL-UHFFFAOYSA-N -1 3 374.430 0.171 20 30 FCEDHM CN(CCCN(C)c1ccnc(C#N)n1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579117112 1276789755 /nfs/dbraw/zinc/78/97/55/1276789755.db2.gz MMSSCVASCWMUIB-UHFFFAOYSA-N -1 3 366.389 0.455 20 30 FCEDHM CN(CCCN(C)c1ccnc(C#N)n1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579117112 1276789762 /nfs/dbraw/zinc/78/97/62/1276789762.db2.gz MMSSCVASCWMUIB-UHFFFAOYSA-N -1 3 366.389 0.455 20 30 FCEDHM CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001579152560 1276893238 /nfs/dbraw/zinc/89/32/38/1276893238.db2.gz VETWANVZVKFJJN-UHFFFAOYSA-N -1 3 352.362 0.065 20 30 FCEDHM CN(CCN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001579152560 1276893245 /nfs/dbraw/zinc/89/32/45/1276893245.db2.gz VETWANVZVKFJJN-UHFFFAOYSA-N -1 3 352.362 0.065 20 30 FCEDHM CN(CCc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001579231580 1277039302 /nfs/dbraw/zinc/03/93/02/1277039302.db2.gz HKROIKODPWMBKM-UHFFFAOYSA-N -1 3 369.410 0.997 20 30 FCEDHM CN(CCc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001579231580 1277039304 /nfs/dbraw/zinc/03/93/04/1277039304.db2.gz HKROIKODPWMBKM-UHFFFAOYSA-N -1 3 369.410 0.997 20 30 FCEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cn1 ZINC001579251538 1277049148 /nfs/dbraw/zinc/04/91/48/1277049148.db2.gz NNHFHHRNNMHVAC-UHFFFAOYSA-N -1 3 355.383 0.954 20 30 FCEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cn1 ZINC001579251538 1277049151 /nfs/dbraw/zinc/04/91/51/1277049151.db2.gz NNHFHHRNNMHVAC-UHFFFAOYSA-N -1 3 355.383 0.954 20 30 FCEDHM COC(=O)c1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001579479895 1277388239 /nfs/dbraw/zinc/38/82/39/1277388239.db2.gz ZAKFYMKBZCGNEM-NSHDSACASA-N -1 3 367.325 0.962 20 30 FCEDHM COCCN(CCNC(=O)[C@@H](C)C#N)c1ncc(-c2nnn[n-]2)cc1F ZINC001579793803 1277915997 /nfs/dbraw/zinc/91/59/97/1277915997.db2.gz YZLYDPOJPLWDMH-JTQLQIEISA-N -1 3 362.369 0.129 20 30 FCEDHM COCCN(CCNC(=O)[C@@H](C)C#N)c1ncc(-c2nn[n-]n2)cc1F ZINC001579793803 1277915999 /nfs/dbraw/zinc/91/59/99/1277915999.db2.gz YZLYDPOJPLWDMH-JTQLQIEISA-N -1 3 362.369 0.129 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001603189544 1287326634 /nfs/dbraw/zinc/32/66/34/1287326634.db2.gz OLEFDYIHXHNIEU-GXTWGEPZSA-N -1 3 369.429 0.964 20 30 FCEDHM CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001603189544 1287326640 /nfs/dbraw/zinc/32/66/40/1287326640.db2.gz OLEFDYIHXHNIEU-GXTWGEPZSA-N -1 3 369.429 0.964 20 30 FCEDHM Cc1cc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c(C#N)cn1 ZINC001580970357 1279171817 /nfs/dbraw/zinc/17/18/17/1279171817.db2.gz LTPWUDCSKBPSKX-UHFFFAOYSA-N -1 3 363.385 0.732 20 30 FCEDHM Cc1cc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c(C#N)cn1 ZINC001580970357 1279171823 /nfs/dbraw/zinc/17/18/23/1279171823.db2.gz LTPWUDCSKBPSKX-UHFFFAOYSA-N -1 3 363.385 0.732 20 30 FCEDHM Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001580987570 1279185536 /nfs/dbraw/zinc/18/55/36/1279185536.db2.gz CGPOVXDTXXNQLN-QWRGUYRKSA-N -1 3 365.401 0.811 20 30 FCEDHM Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001580987570 1279185540 /nfs/dbraw/zinc/18/55/40/1279185540.db2.gz CGPOVXDTXXNQLN-QWRGUYRKSA-N -1 3 365.401 0.811 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccncc1C#N ZINC001603215886 1287334283 /nfs/dbraw/zinc/33/42/83/1287334283.db2.gz NXPNSCJUJKJFTD-HNNXBMFYSA-N -1 3 365.401 0.750 20 30 FCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccncc1C#N ZINC001603215886 1287334285 /nfs/dbraw/zinc/33/42/85/1287334285.db2.gz NXPNSCJUJKJFTD-HNNXBMFYSA-N -1 3 365.401 0.750 20 30 FCEDHM Cc1cc(NCC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C#N)cn1 ZINC001581026235 1279259517 /nfs/dbraw/zinc/25/95/17/1279259517.db2.gz LEDAWUOYFOMRAY-SNVBAGLBSA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(NCC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C#N)cn1 ZINC001581026235 1279259518 /nfs/dbraw/zinc/25/95/18/1279259518.db2.gz LEDAWUOYFOMRAY-SNVBAGLBSA-N -1 3 365.401 0.812 20 30 FCEDHM Cc1cc(S(=O)(=O)NCc2nc(C#N)cs2)ccc1-c1nnn[n-]1 ZINC001581043325 1279284183 /nfs/dbraw/zinc/28/41/83/1279284183.db2.gz DNJKQGZCFIHXSP-UHFFFAOYSA-N -1 3 361.412 0.982 20 30 FCEDHM Cc1cc(S(=O)(=O)NCc2nc(C#N)cs2)ccc1-c1nn[n-]n1 ZINC001581043325 1279284184 /nfs/dbraw/zinc/28/41/84/1279284184.db2.gz DNJKQGZCFIHXSP-UHFFFAOYSA-N -1 3 361.412 0.982 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001581062462 1279312909 /nfs/dbraw/zinc/31/29/09/1279312909.db2.gz RDMMOUROOUFAPL-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001581062462 1279312913 /nfs/dbraw/zinc/31/29/13/1279312913.db2.gz RDMMOUROOUFAPL-UHFFFAOYSA-N -1 3 351.374 0.636 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001581087949 1279352806 /nfs/dbraw/zinc/35/28/06/1279352806.db2.gz WBCLCHLWVSOIKX-FRJFDASCSA-N -1 3 352.402 0.956 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001581087949 1279352814 /nfs/dbraw/zinc/35/28/14/1279352814.db2.gz WBCLCHLWVSOIKX-FRJFDASCSA-N -1 3 352.402 0.956 20 30 FCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001581119937 1279418632 /nfs/dbraw/zinc/41/86/32/1279418632.db2.gz YKKCBHUGUVZNOF-WCQYABFASA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001581119937 1279418636 /nfs/dbraw/zinc/41/86/36/1279418636.db2.gz YKKCBHUGUVZNOF-WCQYABFASA-N -1 3 370.417 0.759 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001581137859 1279438279 /nfs/dbraw/zinc/43/82/79/1279438279.db2.gz KAXQOSGWKXIVSQ-GFCCVEGCSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001581137859 1279438286 /nfs/dbraw/zinc/43/82/86/1279438286.db2.gz KAXQOSGWKXIVSQ-GFCCVEGCSA-N -1 3 363.385 0.779 20 30 FCEDHM Cc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)c(-c2nnn[n-]2)c1 ZINC001581213293 1279509524 /nfs/dbraw/zinc/50/95/24/1279509524.db2.gz KZMURPZPKDOOBE-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)c(-c2nn[n-]n2)c1 ZINC001581213293 1279509535 /nfs/dbraw/zinc/50/95/35/1279509535.db2.gz KZMURPZPKDOOBE-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)NCc1cncc(C#N)c1 ZINC001581219883 1279513658 /nfs/dbraw/zinc/51/36/58/1279513658.db2.gz SJCGLLSVFSCPHH-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)NCc1cncc(C#N)c1 ZINC001581219883 1279513666 /nfs/dbraw/zinc/51/36/66/1279513666.db2.gz SJCGLLSVFSCPHH-UHFFFAOYSA-N -1 3 355.383 0.920 20 30 FCEDHM Cc1nc(N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)ccc1-c1nn[n-]n1 ZINC001581468754 1280001809 /nfs/dbraw/zinc/00/18/09/1280001809.db2.gz BFFHJZONUPUNGA-LLVKDONJSA-N -1 3 370.417 0.177 20 30 FCEDHM Cc1nc(N2CCC(NC(=O)CSCC#N)CC2)ccc1-c1nnn[n-]1 ZINC001581471546 1280009487 /nfs/dbraw/zinc/00/94/87/1280009487.db2.gz WLNUJDKOEDKNLG-UHFFFAOYSA-N -1 3 372.458 0.912 20 30 FCEDHM Cc1nc(N2CCC(NC(=O)CSCC#N)CC2)ccc1-c1nn[n-]n1 ZINC001581471546 1280009494 /nfs/dbraw/zinc/00/94/94/1280009494.db2.gz WLNUJDKOEDKNLG-UHFFFAOYSA-N -1 3 372.458 0.912 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1nccnc1C#N ZINC001603506062 1287394563 /nfs/dbraw/zinc/39/45/63/1287394563.db2.gz ZKWYSFVHWZJZJZ-VIFPVBQESA-N -1 3 352.362 0.429 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1nccnc1C#N ZINC001603506062 1287394565 /nfs/dbraw/zinc/39/45/65/1287394565.db2.gz ZKWYSFVHWZJZJZ-VIFPVBQESA-N -1 3 352.362 0.429 20 30 FCEDHM Cc1nc(NCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1C#N ZINC001581521723 1280074833 /nfs/dbraw/zinc/07/48/33/1280074833.db2.gz LSURZXKYDRMKLN-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1nc(NCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1C#N ZINC001581521723 1280074838 /nfs/dbraw/zinc/07/48/38/1280074838.db2.gz LSURZXKYDRMKLN-UHFFFAOYSA-N -1 3 351.374 0.954 20 30 FCEDHM Cc1nn(C)c(N2CCN(Cc3cc(-c4nnn[n-]4)ccn3)CC2)c1C#N ZINC001581593456 1280191653 /nfs/dbraw/zinc/19/16/53/1280191653.db2.gz DKIULXKAIXALSX-UHFFFAOYSA-N -1 3 364.417 0.498 20 30 FCEDHM Cc1nn(C)c(N2CCN(Cc3cc(-c4nn[n-]n4)ccn3)CC2)c1C#N ZINC001581593456 1280191655 /nfs/dbraw/zinc/19/16/55/1280191655.db2.gz DKIULXKAIXALSX-UHFFFAOYSA-N -1 3 364.417 0.498 20 30 FCEDHM Cc1nsc(N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)c1-c1nnn[n-]1 ZINC001581684081 1280390004 /nfs/dbraw/zinc/39/00/04/1280390004.db2.gz KGUFRFSUMUPBDJ-IEBDPFPHSA-N -1 3 358.431 0.686 20 30 FCEDHM Cn1c(C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1-c1nnn[n-]1 ZINC001581749967 1280456369 /nfs/dbraw/zinc/45/63/69/1280456369.db2.gz UWZVBPKIUYVWRZ-UHFFFAOYSA-N -1 3 363.385 0.434 20 30 FCEDHM Cn1c(C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1-c1nn[n-]n1 ZINC001581749967 1280456370 /nfs/dbraw/zinc/45/63/70/1280456370.db2.gz UWZVBPKIUYVWRZ-UHFFFAOYSA-N -1 3 363.385 0.434 20 30 FCEDHM N#C[C@@]1(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCCOC1 ZINC001581857288 1280608232 /nfs/dbraw/zinc/60/82/32/1280608232.db2.gz WSGSLJTWFJFWCH-INIZCTEOSA-N -1 3 365.357 0.706 20 30 FCEDHM N#C[C@@]1(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCCOC1 ZINC001581857288 1280608241 /nfs/dbraw/zinc/60/82/41/1280608241.db2.gz WSGSLJTWFJFWCH-INIZCTEOSA-N -1 3 365.357 0.706 20 30 FCEDHM N#CCC1(O)CN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC001581857904 1280608685 /nfs/dbraw/zinc/60/86/85/1280608685.db2.gz JREAMKWYXUEGEQ-UHFFFAOYSA-N -1 3 373.442 0.706 20 30 FCEDHM N#CCC1(O)CN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC001581857904 1280608694 /nfs/dbraw/zinc/60/86/94/1280608694.db2.gz JREAMKWYXUEGEQ-UHFFFAOYSA-N -1 3 373.442 0.706 20 30 FCEDHM N#CCSCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001581858646 1280610584 /nfs/dbraw/zinc/61/05/84/1280610584.db2.gz PBFNWCJIODQJJR-LBPRGKRZSA-N -1 3 374.430 0.076 20 30 FCEDHM N#CCSCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001581858646 1280610587 /nfs/dbraw/zinc/61/05/87/1280610587.db2.gz PBFNWCJIODQJJR-LBPRGKRZSA-N -1 3 374.430 0.076 20 30 FCEDHM N#Cc1c(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)nc2n1CCOC2 ZINC001581861008 1280612392 /nfs/dbraw/zinc/61/23/92/1280612392.db2.gz DULYHVKTUHNPFO-UHFFFAOYSA-N -1 3 354.305 0.856 20 30 FCEDHM N#Cc1c(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)nc2n1CCOC2 ZINC001581861008 1280612406 /nfs/dbraw/zinc/61/24/06/1280612406.db2.gz DULYHVKTUHNPFO-UHFFFAOYSA-N -1 3 354.305 0.856 20 30 FCEDHM N#Cc1c(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)n[nH]c1C1CC1 ZINC001581860818 1280614488 /nfs/dbraw/zinc/61/44/88/1280614488.db2.gz UWEHHZBPSWCJKQ-UHFFFAOYSA-N -1 3 350.346 0.784 20 30 FCEDHM N#Cc1c(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)n[nH]c1C1CC1 ZINC001581860818 1280614495 /nfs/dbraw/zinc/61/44/95/1280614495.db2.gz UWEHHZBPSWCJKQ-UHFFFAOYSA-N -1 3 350.346 0.784 20 30 FCEDHM N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)c[nH]1 ZINC001581864000 1280616016 /nfs/dbraw/zinc/61/60/16/1280616016.db2.gz AUHGAMVHGVDTOR-STQMWFEESA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)c[nH]1 ZINC001581864000 1280616025 /nfs/dbraw/zinc/61/60/25/1280616025.db2.gz AUHGAMVHGVDTOR-STQMWFEESA-N -1 3 361.369 0.565 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c[nH]1 ZINC001581864903 1280618848 /nfs/dbraw/zinc/61/88/48/1280618848.db2.gz VAOYYTYOLVFSPJ-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c[nH]1 ZINC001581864903 1280618860 /nfs/dbraw/zinc/61/88/60/1280618860.db2.gz VAOYYTYOLVFSPJ-PHIMTYICSA-N -1 3 365.357 0.085 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)[nH]1 ZINC001581867524 1280622496 /nfs/dbraw/zinc/62/24/96/1280622496.db2.gz LUJJNBNHXGFYRW-GFCCVEGCSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)[nH]1 ZINC001581867524 1280622502 /nfs/dbraw/zinc/62/25/02/1280622502.db2.gz LUJJNBNHXGFYRW-GFCCVEGCSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nc2)C2CC2)[nH]1 ZINC001581867694 1280622935 /nfs/dbraw/zinc/62/29/35/1280622935.db2.gz ROUVBRGIGOIRNC-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nc2)C2CC2)[nH]1 ZINC001581867694 1280622939 /nfs/dbraw/zinc/62/29/39/1280622939.db2.gz ROUVBRGIGOIRNC-UHFFFAOYSA-N -1 3 363.385 0.860 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)[nH]1 ZINC001581869057 1280624528 /nfs/dbraw/zinc/62/45/28/1280624528.db2.gz GOIINKCEBXOBIN-PHIMTYICSA-N -1 3 367.348 0.973 20 30 FCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)[nH]1 ZINC001581869057 1280624535 /nfs/dbraw/zinc/62/45/35/1280624535.db2.gz GOIINKCEBXOBIN-PHIMTYICSA-N -1 3 367.348 0.973 20 30 FCEDHM N#Cc1ccc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)[nH]1 ZINC001581867942 1280624622 /nfs/dbraw/zinc/62/46/22/1280624622.db2.gz CDHUVSWOXPDXSS-UHFFFAOYSA-N -1 3 365.357 0.087 20 30 FCEDHM 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C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588360225 1282478920 /nfs/dbraw/zinc/47/89/20/1282478920.db2.gz LQMVXLPWNLMNGT-AVGNSLFASA-N -1 3 355.402 0.668 20 30 FCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588360225 1282478925 /nfs/dbraw/zinc/47/89/25/1282478925.db2.gz LQMVXLPWNLMNGT-AVGNSLFASA-N -1 3 355.402 0.668 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588361087 1282479941 /nfs/dbraw/zinc/47/99/41/1282479941.db2.gz DIRZQVYOIUFHRB-CYBMUJFWSA-N -1 3 371.445 0.941 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588361087 1282479950 /nfs/dbraw/zinc/47/99/50/1282479950.db2.gz DIRZQVYOIUFHRB-CYBMUJFWSA-N -1 3 371.445 0.941 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588360747 1282480197 /nfs/dbraw/zinc/48/01/97/1282480197.db2.gz USUBBDCLVLERBJ-STQMWFEESA-N -1 3 355.402 0.703 20 30 FCEDHM C#CCOCCC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588360747 1282480199 /nfs/dbraw/zinc/48/01/99/1282480199.db2.gz USUBBDCLVLERBJ-STQMWFEESA-N -1 3 355.402 0.703 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588361107 1282481120 /nfs/dbraw/zinc/48/11/20/1282481120.db2.gz DSQJYUOPWGLLAZ-DZGCQCFKSA-N -1 3 369.429 0.775 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588361107 1282481128 /nfs/dbraw/zinc/48/11/28/1282481128.db2.gz DSQJYUOPWGLLAZ-DZGCQCFKSA-N -1 3 369.429 0.775 20 30 FCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588361344 1282482340 /nfs/dbraw/zinc/48/23/40/1282482340.db2.gz KFWNLYWQBYZGMN-LBPRGKRZSA-N -1 3 358.377 0.741 20 30 FCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588361344 1282482344 /nfs/dbraw/zinc/48/23/44/1282482344.db2.gz KFWNLYWQBYZGMN-LBPRGKRZSA-N -1 3 358.377 0.741 20 30 FCEDHM C#CCOCCC(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001588361164 1282482955 /nfs/dbraw/zinc/48/29/55/1282482955.db2.gz GBGCDKROGLIDFR-UHFFFAOYSA-N -1 3 369.429 0.634 20 30 FCEDHM C#CCOCCC(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001588361164 1282482958 /nfs/dbraw/zinc/48/29/58/1282482958.db2.gz GBGCDKROGLIDFR-UHFFFAOYSA-N -1 3 369.429 0.634 20 30 FCEDHM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001588361913 1282484632 /nfs/dbraw/zinc/48/46/32/1282484632.db2.gz UKLNVPRZEVFOSE-UHFFFAOYSA-N -1 3 355.402 0.752 20 30 FCEDHM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001588361913 1282484637 /nfs/dbraw/zinc/48/46/37/1282484637.db2.gz UKLNVPRZEVFOSE-UHFFFAOYSA-N -1 3 355.402 0.752 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588361921 1282485153 /nfs/dbraw/zinc/48/51/53/1282485153.db2.gz UNUVYQYJKYXHLQ-OAHLLOKOSA-N -1 3 355.402 0.608 20 30 FCEDHM C#CCOCCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588361921 1282485160 /nfs/dbraw/zinc/48/51/60/1282485160.db2.gz UNUVYQYJKYXHLQ-OAHLLOKOSA-N -1 3 355.402 0.608 20 30 FCEDHM C#CCOCCC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588361836 1282485298 /nfs/dbraw/zinc/48/52/98/1282485298.db2.gz TYYHCXMRQKETKR-UHFFFAOYSA-N -1 3 359.346 0.343 20 30 FCEDHM C#CCOCCC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588361836 1282485304 /nfs/dbraw/zinc/48/53/04/1282485304.db2.gz TYYHCXMRQKETKR-UHFFFAOYSA-N -1 3 359.346 0.343 20 30 FCEDHM C#CCOCCC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1 ZINC001588361799 1282485320 /nfs/dbraw/zinc/48/53/20/1282485320.db2.gz SNARUEXFDQODOS-CQSZACIVSA-N -1 3 369.429 0.777 20 30 FCEDHM C#CCOCCC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1 ZINC001588361799 1282485323 /nfs/dbraw/zinc/48/53/23/1282485323.db2.gz SNARUEXFDQODOS-CQSZACIVSA-N -1 3 369.429 0.777 20 30 FCEDHM C#CCOCCC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588362626 1282486525 /nfs/dbraw/zinc/48/65/25/1282486525.db2.gz MEMOILZIMRRWPL-CQSZACIVSA-N -1 3 372.404 0.736 20 30 FCEDHM C#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)cn1 ZINC001588364971 1282490527 /nfs/dbraw/zinc/49/05/27/1282490527.db2.gz PQYPXQTZIOOOPV-UHFFFAOYSA-N -1 3 374.408 0.909 20 30 FCEDHM C#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)cn1 ZINC001588364971 1282490533 /nfs/dbraw/zinc/49/05/33/1282490533.db2.gz PQYPXQTZIOOOPV-UHFFFAOYSA-N -1 3 374.408 0.909 20 30 FCEDHM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001588364242 1282490969 /nfs/dbraw/zinc/49/09/69/1282490969.db2.gz AXCRIYKFRLSPAP-HNNXBMFYSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001588364242 1282490975 /nfs/dbraw/zinc/49/09/75/1282490975.db2.gz AXCRIYKFRLSPAP-HNNXBMFYSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001588364760 1282491359 /nfs/dbraw/zinc/49/13/59/1282491359.db2.gz LWYJAOIVVRITHO-CQSZACIVSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001588364760 1282491376 /nfs/dbraw/zinc/49/13/76/1282491376.db2.gz LWYJAOIVVRITHO-CQSZACIVSA-N -1 3 360.381 0.965 20 30 FCEDHM C#Cc1ccc(C(=O)NCCNc2snc(C)c2-c2nnn[n-]2)nc1 ZINC001588370243 1282493217 /nfs/dbraw/zinc/49/32/17/1282493217.db2.gz VKNVUYYVHKSMGD-UHFFFAOYSA-N -1 3 354.399 0.850 20 30 FCEDHM C#Cc1ccc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC001588367844 1282493708 /nfs/dbraw/zinc/49/37/08/1282493708.db2.gz OCVAVXGAGJVICS-UHFFFAOYSA-N -1 3 365.422 0.919 20 30 FCEDHM C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001588380095 1282494699 /nfs/dbraw/zinc/49/46/99/1282494699.db2.gz SZXVZEORAFPVDQ-ZSHCYNCHSA-N -1 3 372.392 0.503 20 30 FCEDHM C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001588380095 1282494702 /nfs/dbraw/zinc/49/47/02/1282494702.db2.gz SZXVZEORAFPVDQ-ZSHCYNCHSA-N -1 3 372.392 0.503 20 30 FCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588403951 1282500326 /nfs/dbraw/zinc/50/03/26/1282500326.db2.gz ALBAEMFCKYJKCY-AWEZNQCLSA-N -1 3 372.385 0.819 20 30 FCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588403951 1282500339 /nfs/dbraw/zinc/50/03/39/1282500339.db2.gz ALBAEMFCKYJKCY-AWEZNQCLSA-N -1 3 372.385 0.819 20 30 FCEDHM C=C(C)CCC(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588410913 1282502883 /nfs/dbraw/zinc/50/28/83/1282502883.db2.gz ZRRUYLUGFMSEDK-UHFFFAOYSA-N -1 3 363.397 0.990 20 30 FCEDHM C=C(C)CCC(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588410913 1282502891 /nfs/dbraw/zinc/50/28/91/1282502891.db2.gz ZRRUYLUGFMSEDK-UHFFFAOYSA-N -1 3 363.397 0.990 20 30 FCEDHM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001588416054 1282505237 /nfs/dbraw/zinc/50/52/37/1282505237.db2.gz RZSDVONQTNGAMW-KGLIPLIRSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001588416054 1282505245 /nfs/dbraw/zinc/50/52/45/1282505245.db2.gz RZSDVONQTNGAMW-KGLIPLIRSA-N -1 3 357.418 0.674 20 30 FCEDHM C=C(C)CCN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001588419630 1282505290 /nfs/dbraw/zinc/50/52/90/1282505290.db2.gz QSYGCWNQKICECN-UHFFFAOYSA-N -1 3 357.418 0.688 20 30 FCEDHM C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001588415476 1282506150 /nfs/dbraw/zinc/50/61/50/1282506150.db2.gz LIKCHNJJGWDBII-RISCZKNCSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001588415476 1282506162 /nfs/dbraw/zinc/50/61/62/1282506162.db2.gz LIKCHNJJGWDBII-RISCZKNCSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C(Cl)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588447333 1282507785 /nfs/dbraw/zinc/50/77/85/1282507785.db2.gz DIYBEJYXHKEHSG-UHFFFAOYSA-N -1 3 357.779 0.441 20 30 FCEDHM C=C(Cl)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588447333 1282507790 /nfs/dbraw/zinc/50/77/90/1282507790.db2.gz DIYBEJYXHKEHSG-UHFFFAOYSA-N -1 3 357.779 0.441 20 30 FCEDHM C=C(CCC(=O)OC)C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001588443971 1282508597 /nfs/dbraw/zinc/50/85/97/1282508597.db2.gz CPANENCXEFABCA-UHFFFAOYSA-N -1 3 371.401 0.420 20 30 FCEDHM C=C(CCC(=O)OC)C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001588443971 1282508607 /nfs/dbraw/zinc/50/86/07/1282508607.db2.gz CPANENCXEFABCA-UHFFFAOYSA-N -1 3 371.401 0.420 20 30 FCEDHM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588476633 1282516454 /nfs/dbraw/zinc/51/64/54/1282516454.db2.gz XDQIATKIMMPYPK-SFHVURJKSA-N -1 3 371.445 0.840 20 30 FCEDHM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588476633 1282516462 /nfs/dbraw/zinc/51/64/62/1282516462.db2.gz XDQIATKIMMPYPK-SFHVURJKSA-N -1 3 371.445 0.840 20 30 FCEDHM C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588484000 1282519118 /nfs/dbraw/zinc/51/91/18/1282519118.db2.gz WHEAJMNXRUTFPT-UHFFFAOYSA-N -1 3 373.417 0.100 20 30 FCEDHM C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588484000 1282519123 /nfs/dbraw/zinc/51/91/23/1282519123.db2.gz WHEAJMNXRUTFPT-UHFFFAOYSA-N -1 3 373.417 0.100 20 30 FCEDHM C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588492998 1282523119 /nfs/dbraw/zinc/52/31/19/1282523119.db2.gz YQLFUXUHFJNSPE-MGPLVRAMSA-N -1 3 361.406 0.004 20 30 FCEDHM C=C[C@](C)(CC)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588492998 1282523127 /nfs/dbraw/zinc/52/31/27/1282523127.db2.gz YQLFUXUHFJNSPE-MGPLVRAMSA-N -1 3 361.406 0.004 20 30 FCEDHM C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588493118 1282523722 /nfs/dbraw/zinc/52/37/22/1282523722.db2.gz BAOUTQYLNFWZLK-MRXNPFEDSA-N -1 3 373.417 0.100 20 30 FCEDHM C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588493118 1282523734 /nfs/dbraw/zinc/52/37/34/1282523734.db2.gz BAOUTQYLNFWZLK-MRXNPFEDSA-N -1 3 373.417 0.100 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588500046 1282531131 /nfs/dbraw/zinc/53/11/31/1282531131.db2.gz PXQUWQAFXYVOTJ-VCMHEYGDSA-N -1 3 357.418 0.990 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588500046 1282531142 /nfs/dbraw/zinc/53/11/42/1282531142.db2.gz PXQUWQAFXYVOTJ-VCMHEYGDSA-N -1 3 357.418 0.990 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588499875 1282533017 /nfs/dbraw/zinc/53/30/17/1282533017.db2.gz NZAGAPZGPXLYKL-KRWDZBQOSA-N -1 3 359.434 0.792 20 30 FCEDHM C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588499875 1282533027 /nfs/dbraw/zinc/53/30/27/1282533027.db2.gz NZAGAPZGPXLYKL-KRWDZBQOSA-N -1 3 359.434 0.792 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001588502963 1282540760 /nfs/dbraw/zinc/54/07/60/1282540760.db2.gz VFEUELJXPZJAGC-GDZNZVCISA-N -1 3 355.402 0.378 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001588502963 1282540772 /nfs/dbraw/zinc/54/07/72/1282540772.db2.gz VFEUELJXPZJAGC-GDZNZVCISA-N -1 3 355.402 0.378 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001588503785 1282543269 /nfs/dbraw/zinc/54/32/69/1282543269.db2.gz FPJNKXBMFLPZRP-BZNIZROVSA-N -1 3 362.459 0.946 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588503785 1282543279 /nfs/dbraw/zinc/54/32/79/1282543279.db2.gz FPJNKXBMFLPZRP-BZNIZROVSA-N -1 3 362.459 0.946 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588504589 1282544405 /nfs/dbraw/zinc/54/44/05/1282544405.db2.gz LFDGQPDGWCVFMV-UGSOOPFHSA-N -1 3 371.445 0.921 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588504589 1282544410 /nfs/dbraw/zinc/54/44/10/1282544410.db2.gz LFDGQPDGWCVFMV-UGSOOPFHSA-N -1 3 371.445 0.921 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588505450 1282546314 /nfs/dbraw/zinc/54/63/14/1282546314.db2.gz RDKOBSMAFONGCY-INIZCTEOSA-N -1 3 357.418 0.958 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588505450 1282546326 /nfs/dbraw/zinc/54/63/26/1282546326.db2.gz RDKOBSMAFONGCY-INIZCTEOSA-N -1 3 357.418 0.958 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588505921 1282549255 /nfs/dbraw/zinc/54/92/55/1282549255.db2.gz ZPLLOKWCOMHIEI-MRXNPFEDSA-N -1 3 357.418 0.958 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588505921 1282549259 /nfs/dbraw/zinc/54/92/59/1282549259.db2.gz ZPLLOKWCOMHIEI-MRXNPFEDSA-N -1 3 357.418 0.958 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588507896 1282549992 /nfs/dbraw/zinc/54/99/92/1282549992.db2.gz MATUJMBPRMEAIW-BWACUDIHSA-N -1 3 357.418 0.956 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588507896 1282550000 /nfs/dbraw/zinc/55/00/00/1282550000.db2.gz MATUJMBPRMEAIW-BWACUDIHSA-N -1 3 357.418 0.956 20 30 FCEDHM C=C[C@H](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588515795 1282554833 /nfs/dbraw/zinc/55/48/33/1282554833.db2.gz HYVYKQQQLOWGGV-NWDGAFQWSA-N -1 3 357.418 0.937 20 30 FCEDHM 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C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC(=O)N1C ZINC001590285571 1283415544 /nfs/dbraw/zinc/41/55/44/1283415544.db2.gz SFHZZUKRGZIEQS-RISCZKNCSA-N -1 3 353.386 0.238 20 30 FCEDHM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590293232 1283425479 /nfs/dbraw/zinc/42/54/79/1283425479.db2.gz VVETZKHEKPEPEO-PWSUYJOCSA-N -1 3 358.431 0.777 20 30 FCEDHM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590293232 1283425483 /nfs/dbraw/zinc/42/54/83/1283425483.db2.gz VVETZKHEKPEPEO-PWSUYJOCSA-N -1 3 358.431 0.777 20 30 FCEDHM CCN(CCC#N)C(=O)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001590691336 1283732623 /nfs/dbraw/zinc/73/26/23/1283732623.db2.gz XADGHJZYVYYCQQ-UHFFFAOYSA-N -1 3 358.358 0.551 20 30 FCEDHM CCN(CCC#N)C(=O)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001590691336 1283732631 /nfs/dbraw/zinc/73/26/31/1283732631.db2.gz XADGHJZYVYYCQQ-UHFFFAOYSA-N -1 3 358.358 0.551 20 30 FCEDHM CCN(CCC#N)C(=O)CN1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590691305 1283733661 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-1 3 353.386 0.327 20 30 FCEDHM CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001590972096 1284033697 /nfs/dbraw/zinc/03/36/97/1284033697.db2.gz KSAOJSNKMKALFZ-CQSZACIVSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C(=O)C#CC1CC1)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001590972096 1284033706 /nfs/dbraw/zinc/03/37/06/1284033706.db2.gz KSAOJSNKMKALFZ-CQSZACIVSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C(=O)C#CC1CC1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001590972357 1284034102 /nfs/dbraw/zinc/03/41/02/1284034102.db2.gz RIECRTSRUPPDJO-ZDUSSCGKSA-N -1 3 355.377 0.851 20 30 FCEDHM CN(C(=O)C#CC1CC1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001590972357 1284034110 /nfs/dbraw/zinc/03/41/10/1284034110.db2.gz RIECRTSRUPPDJO-ZDUSSCGKSA-N -1 3 355.377 0.851 20 30 FCEDHM CN(C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001590973387 1284037603 /nfs/dbraw/zinc/03/76/03/1284037603.db2.gz VWYFLEGQCCLGBR-MELADBBJSA-N -1 3 353.386 0.271 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590990737 1284046013 /nfs/dbraw/zinc/04/60/13/1284046013.db2.gz KMWXPCJYLJPSMV-CYBMUJFWSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590990737 1284046020 /nfs/dbraw/zinc/04/60/20/1284046020.db2.gz KMWXPCJYLJPSMV-CYBMUJFWSA-N -1 3 363.385 0.812 20 30 FCEDHM CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001591037485 1284097577 /nfs/dbraw/zinc/09/75/77/1284097577.db2.gz ITZPGYQQLDAELS-QAPCUYQASA-N -1 3 369.429 0.640 20 30 FCEDHM CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001591037485 1284097584 /nfs/dbraw/zinc/09/75/84/1284097584.db2.gz ITZPGYQQLDAELS-QAPCUYQASA-N -1 3 369.429 0.640 20 30 FCEDHM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001591056110 1284116327 /nfs/dbraw/zinc/11/63/27/1284116327.db2.gz LTTZVDWUDGOOJB-AWEZNQCLSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591056110 1284116331 /nfs/dbraw/zinc/11/63/31/1284116331.db2.gz LTTZVDWUDGOOJB-AWEZNQCLSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)C#CC1CC1 ZINC001591057576 1284119302 /nfs/dbraw/zinc/11/93/02/1284119302.db2.gz GJUKLCHWTQYROH-CYBMUJFWSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)C#CC1CC1 ZINC001591057576 1284119306 /nfs/dbraw/zinc/11/93/06/1284119306.db2.gz GJUKLCHWTQYROH-CYBMUJFWSA-N -1 3 367.413 0.671 20 30 FCEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001591132267 1284203410 /nfs/dbraw/zinc/20/34/10/1284203410.db2.gz KWWYJBGPAFCBNF-INIZCTEOSA-N -1 3 357.349 0.289 20 30 FCEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001591132267 1284203419 /nfs/dbraw/zinc/20/34/19/1284203419.db2.gz KWWYJBGPAFCBNF-INIZCTEOSA-N -1 3 357.349 0.289 20 30 FCEDHM COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591283207 1284441662 /nfs/dbraw/zinc/44/16/62/1284441662.db2.gz HEOUSTBKRIRURZ-MCIONIFRSA-N -1 3 354.370 0.617 20 30 FCEDHM COC(=O)c1ccc(NCCNc2ncccc2-c2nnn[n-]2)c(C#N)n1 ZINC001591295934 1284450796 /nfs/dbraw/zinc/45/07/96/1284450796.db2.gz JHKZWEBASKIIJU-UHFFFAOYSA-N -1 3 365.357 0.839 20 30 FCEDHM COC(=O)c1ccc(NCCNc2ncccc2-c2nn[n-]n2)c(C#N)n1 ZINC001591295934 1284450797 /nfs/dbraw/zinc/45/07/97/1284450797.db2.gz JHKZWEBASKIIJU-UHFFFAOYSA-N -1 3 365.357 0.839 20 30 FCEDHM COC(=O)c1ccccc1NC(=O)Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001591304308 1284453691 /nfs/dbraw/zinc/45/36/91/1284453691.db2.gz RGAGUIZLMJITLU-UHFFFAOYSA-N -1 3 366.341 0.669 20 30 FCEDHM COC(=O)c1ccccc1NC(=O)Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001591304308 1284453697 /nfs/dbraw/zinc/45/36/97/1284453697.db2.gz RGAGUIZLMJITLU-UHFFFAOYSA-N -1 3 366.341 0.669 20 30 FCEDHM COCCCNC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591416552 1284566417 /nfs/dbraw/zinc/56/64/17/1284566417.db2.gz VIVQFWMIYKENJT-IUODEOHRSA-N -1 3 370.413 0.907 20 30 FCEDHM COCCN(CCNC(=O)C#CC1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001591424172 1284573722 /nfs/dbraw/zinc/57/37/22/1284573722.db2.gz NRPTVOGPOZQVOY-UHFFFAOYSA-N -1 3 372.404 0.988 20 30 FCEDHM COCCN(CCNC(=O)C#CC1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001591424172 1284573729 /nfs/dbraw/zinc/57/37/29/1284573729.db2.gz NRPTVOGPOZQVOY-UHFFFAOYSA-N -1 3 372.404 0.988 20 30 FCEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC001591482088 1284659441 /nfs/dbraw/zinc/65/94/41/1284659441.db2.gz YFTMJUCVJBYYMT-LBPRGKRZSA-N -1 3 355.402 0.841 20 30 FCEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC001591482088 1284659448 /nfs/dbraw/zinc/65/94/48/1284659448.db2.gz YFTMJUCVJBYYMT-LBPRGKRZSA-N -1 3 355.402 0.841 20 30 FCEDHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCSC[C@@H]1C#N ZINC001591504563 1284686077 /nfs/dbraw/zinc/68/60/77/1284686077.db2.gz AFHBWVDUCWNJAD-JTQLQIEISA-N -1 3 366.428 0.505 20 30 FCEDHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCSC[C@@H]1C#N ZINC001591504563 1284686082 /nfs/dbraw/zinc/68/60/82/1284686082.db2.gz AFHBWVDUCWNJAD-JTQLQIEISA-N -1 3 366.428 0.505 20 30 FCEDHM COc1cc(CN=Nc2ccc(S(N)(=O)=O)cn2)ccc1-c1nnn[n-]1 ZINC001591522385 1284708953 /nfs/dbraw/zinc/70/89/53/1284708953.db2.gz GYLZKSXRFXSZAI-UHFFFAOYSA-N -1 3 374.386 0.364 20 30 FCEDHM COc1cc(CN=Nc2ccc(S(N)(=O)=O)cn2)ccc1-c1nn[n-]n1 ZINC001591522385 1284708964 /nfs/dbraw/zinc/70/89/64/1284708964.db2.gz GYLZKSXRFXSZAI-UHFFFAOYSA-N -1 3 374.386 0.364 20 30 FCEDHM COc1cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1-c1nnn[n-]1 ZINC001591527291 1284714308 /nfs/dbraw/zinc/71/43/08/1284714308.db2.gz BSTLFPSAXFTWNA-SECBINFHSA-N -1 3 353.346 0.216 20 30 FCEDHM COc1cc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1-c1nn[n-]n1 ZINC001591527291 1284714317 /nfs/dbraw/zinc/71/43/17/1284714317.db2.gz BSTLFPSAXFTWNA-SECBINFHSA-N -1 3 353.346 0.216 20 30 FCEDHM COc1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001591543813 1284723369 /nfs/dbraw/zinc/72/33/69/1284723369.db2.gz ITYKXWZVJNNTCG-GFCCVEGCSA-N -1 3 352.358 0.930 20 30 FCEDHM COc1ccccc1CNC(=O)Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001591650304 1284781630 /nfs/dbraw/zinc/78/16/30/1284781630.db2.gz ITGPYYYNYPVBGV-UHFFFAOYSA-N -1 3 352.358 0.568 20 30 FCEDHM COc1ccccc1CNC(=O)Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001591650304 1284781642 /nfs/dbraw/zinc/78/16/42/1284781642.db2.gz ITGPYYYNYPVBGV-UHFFFAOYSA-N -1 3 352.358 0.568 20 30 FCEDHM C[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001591721223 1284852895 /nfs/dbraw/zinc/85/28/95/1284852895.db2.gz OTDYVTMCWGFNSO-DTWKUNHWSA-N -1 3 359.777 0.901 20 30 FCEDHM C[C@@H](C#N)NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001591721223 1284852903 /nfs/dbraw/zinc/85/29/03/1284852903.db2.gz OTDYVTMCWGFNSO-DTWKUNHWSA-N -1 3 359.777 0.901 20 30 FCEDHM Cc1c(C(=O)NCCNC(=O)C2N=CC=CC2=O)cccc1-c1nn[n-]n1 ZINC001591808370 1284920978 /nfs/dbraw/zinc/92/09/78/1284920978.db2.gz XMZZXDWJDUOMAO-VKAVYKQESA-N -1 3 367.369 0.431 20 30 FCEDHM CN(C[C@@H](O)CN(C)c1cccc(F)c1-c1nnn[n-]1)C(=O)C#CC1CC1 ZINC001604720396 1287755326 /nfs/dbraw/zinc/75/53/26/1287755326.db2.gz QORFSXFPQVQGGQ-ZDUSSCGKSA-N -1 3 372.404 0.675 20 30 FCEDHM CN(C[C@@H](O)CN(C)c1cccc(F)c1-c1nn[n-]n1)C(=O)C#CC1CC1 ZINC001604720396 1287755332 /nfs/dbraw/zinc/75/53/32/1287755332.db2.gz QORFSXFPQVQGGQ-ZDUSSCGKSA-N -1 3 372.404 0.675 20 30 FCEDHM Cc1nc(CN(C)C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC001592359578 1285276675 /nfs/dbraw/zinc/27/66/75/1285276675.db2.gz JBAODVOINGRWLF-CYBMUJFWSA-N -1 3 352.358 0.899 20 30 FCEDHM Cc1nc(N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001592374984 1285285386 /nfs/dbraw/zinc/28/53/86/1285285386.db2.gz OAWGNJCGNAUOBN-GASCZTMLSA-N -1 3 363.425 0.878 20 30 FCEDHM Cc1nc(N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001592374984 1285285395 /nfs/dbraw/zinc/28/53/95/1285285395.db2.gz OAWGNJCGNAUOBN-GASCZTMLSA-N -1 3 363.425 0.878 20 30 FCEDHM Cc1nc(NC[C@@H](C)CNC(=O)CSCC#N)ccc1-c1nnn[n-]1 ZINC001592383896 1285294946 /nfs/dbraw/zinc/29/49/46/1285294946.db2.gz KVZSYLMNFGTODH-SNVBAGLBSA-N -1 3 360.447 0.991 20 30 FCEDHM Cc1nc(NC[C@@H](C)CNC(=O)CSCC#N)ccc1-c1nn[n-]n1 ZINC001592383896 1285294950 /nfs/dbraw/zinc/29/49/50/1285294950.db2.gz KVZSYLMNFGTODH-SNVBAGLBSA-N -1 3 360.447 0.991 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3ccc(-c4nnn[n-]4)c(N)n3)CC2)c1C#N ZINC001592443190 1285380969 /nfs/dbraw/zinc/38/09/69/1285380969.db2.gz SLSZZIXBWHWOMY-UHFFFAOYSA-N -1 3 365.405 0.084 20 30 FCEDHM Cc1nn(C)c(N2CCN(c3ccc(-c4nn[n-]n4)c(N)n3)CC2)c1C#N ZINC001592443190 1285380979 /nfs/dbraw/zinc/38/09/79/1285380979.db2.gz SLSZZIXBWHWOMY-UHFFFAOYSA-N -1 3 365.405 0.084 20 30 FCEDHM Cc1nsc(N2CCN(c3cnc(C#N)cn3)CC2)c1-c1nnn[n-]1 ZINC001592476558 1285417524 /nfs/dbraw/zinc/41/75/24/1285417524.db2.gz USZSSPJHSWCKAA-UHFFFAOYSA-N -1 3 354.403 0.620 20 30 FCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC001592560716 1285473818 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946955012 /nfs/dbraw/zinc/95/50/12/946955012.db2.gz VJJXXQGBTUBIKK-AWEZNQCLSA-N -1 3 373.417 0.507 20 30 FCEDHM C=C(C)[C@H](CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573293398 946955023 /nfs/dbraw/zinc/95/50/23/946955023.db2.gz VJJXXQGBTUBIKK-AWEZNQCLSA-N -1 3 373.417 0.507 20 30 FCEDHM CC(C)N(CCN(C)C(=O)[C@H](C)C#N)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573560858 946957384 /nfs/dbraw/zinc/95/73/84/946957384.db2.gz HOESPFXJTPSAQU-LLVKDONJSA-N -1 3 358.406 0.663 20 30 FCEDHM CC(C)N(CCN(C)C(=O)[C@H](C)C#N)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573560858 946957388 /nfs/dbraw/zinc/95/73/88/946957388.db2.gz HOESPFXJTPSAQU-LLVKDONJSA-N -1 3 358.406 0.663 20 30 FCEDHM C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573293644 946963086 /nfs/dbraw/zinc/96/30/86/946963086.db2.gz FDNJFAJCUANRME-ZDUSSCGKSA-N -1 3 373.417 0.508 20 30 FCEDHM C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573293644 946963090 /nfs/dbraw/zinc/96/30/90/946963090.db2.gz 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947579038 /nfs/dbraw/zinc/57/90/38/947579038.db2.gz KJIKNPYNFFHMIW-ZDUSSCGKSA-N -1 3 357.418 0.939 20 30 FCEDHM C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573347955 947579043 /nfs/dbraw/zinc/57/90/43/947579043.db2.gz KJIKNPYNFFHMIW-ZDUSSCGKSA-N -1 3 357.418 0.939 20 30 FCEDHM C[C@H](C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)n1cnc(C#N)n1 ZINC001573614629 947588397 /nfs/dbraw/zinc/58/83/97/947588397.db2.gz NRPJYDFUYHZXCP-SNVBAGLBSA-N -1 3 364.373 0.214 20 30 FCEDHM C[C@H](C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)n1cnc(C#N)n1 ZINC001573614629 947588400 /nfs/dbraw/zinc/58/84/00/947588400.db2.gz NRPJYDFUYHZXCP-SNVBAGLBSA-N -1 3 364.373 0.214 20 30 FCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001573350237 947592524 /nfs/dbraw/zinc/59/25/24/947592524.db2.gz ADYPUPKQRDVWGK-OLZOCXBDSA-N -1 3 358.406 0.706 20 30 FCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001573350237 947592530 /nfs/dbraw/zinc/59/25/30/947592530.db2.gz ADYPUPKQRDVWGK-OLZOCXBDSA-N -1 3 358.406 0.706 20 30 FCEDHM CC#CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573358347 947660994 /nfs/dbraw/zinc/66/09/94/947660994.db2.gz IQLIULHKBUERDO-ATCWAGBWSA-N -1 3 367.413 0.575 20 30 FCEDHM CC#CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573358347 947660999 /nfs/dbraw/zinc/66/09/99/947660999.db2.gz IQLIULHKBUERDO-ATCWAGBWSA-N -1 3 367.413 0.575 20 30 FCEDHM CC#CCCCC(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573359337 947685655 /nfs/dbraw/zinc/68/56/55/947685655.db2.gz ZGXQROWGNIWPJU-ZDUSSCGKSA-N -1 3 357.418 0.653 20 30 FCEDHM CC#CCCCC(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573359337 947685661 /nfs/dbraw/zinc/68/56/61/947685661.db2.gz ZGXQROWGNIWPJU-ZDUSSCGKSA-N -1 3 357.418 0.653 20 30 FCEDHM Cn1cc(CN2CCO[C@@H](C#N)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360959 948126618 /nfs/dbraw/zinc/12/66/18/948126618.db2.gz DXNRNNJNZFKCER-HNNXBMFYSA-N -1 3 350.386 0.992 20 30 FCEDHM Cn1cc(CN2CCO[C@@H](C#N)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360959 948126628 /nfs/dbraw/zinc/12/66/28/948126628.db2.gz DXNRNNJNZFKCER-HNNXBMFYSA-N -1 3 350.386 0.992 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001570951249 949734112 /nfs/dbraw/zinc/73/41/12/949734112.db2.gz LBHPSCLUXNVUMS-VIFPVBQESA-N -1 3 350.346 0.183 20 30 FCEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001570951249 949734130 /nfs/dbraw/zinc/73/41/30/949734130.db2.gz LBHPSCLUXNVUMS-VIFPVBQESA-N -1 3 350.346 0.183 20 30 FCEDHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNc1ncccc1C#N ZINC001574966657 949855571 /nfs/dbraw/zinc/85/55/71/949855571.db2.gz AZBTYCXUWZHGKG-SNVBAGLBSA-N -1 3 351.374 0.939 20 30 FCEDHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNc1ncccc1C#N ZINC001574966657 949855592 /nfs/dbraw/zinc/85/55/92/949855592.db2.gz AZBTYCXUWZHGKG-SNVBAGLBSA-N -1 3 351.374 0.939 20 30 FCEDHM CC(C)C[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143471 949894324 /nfs/dbraw/zinc/89/43/24/949894324.db2.gz HWYWQHGEBDPHAM-CMPLNLGQSA-N -1 3 358.406 0.615 20 30 FCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)Nc1ccccn1 ZINC001570960789 950021485 /nfs/dbraw/zinc/02/14/85/950021485.db2.gz ZRPHXHFUBYMTOO-UHFFFAOYSA-N -1 3 353.371 0.841 20 30 FCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)Nc1ccccn1 ZINC001570960789 950021506 /nfs/dbraw/zinc/02/15/06/950021506.db2.gz ZRPHXHFUBYMTOO-UHFFFAOYSA-N -1 3 353.371 0.841 20 30 FCEDHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)c1ncccc1C#N ZINC001574976252 950062675 /nfs/dbraw/zinc/06/26/75/950062675.db2.gz OPNRFSJAHXMIQF-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)c1ncccc1C#N ZINC001574976252 950062697 /nfs/dbraw/zinc/06/26/97/950062697.db2.gz OPNRFSJAHXMIQF-SNVBAGLBSA-N -1 3 351.374 0.716 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574738228 950165874 /nfs/dbraw/zinc/16/58/74/950165874.db2.gz CXFCYLYXLCFADN-VIFPVBQESA-N -1 3 367.373 0.285 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574738228 950165890 /nfs/dbraw/zinc/16/58/90/950165890.db2.gz CXFCYLYXLCFADN-VIFPVBQESA-N -1 3 367.373 0.285 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1cncc(C#N)n1 ZINC001574739182 950186194 /nfs/dbraw/zinc/18/61/94/950186194.db2.gz MIYSDBANCRVUOU-VIFPVBQESA-N -1 3 352.362 0.429 20 30 FCEDHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1cncc(C#N)n1 ZINC001574739182 950186204 /nfs/dbraw/zinc/18/62/04/950186204.db2.gz MIYSDBANCRVUOU-VIFPVBQESA-N -1 3 352.362 0.429 20 30 FCEDHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1ccc(C#N)cn1 ZINC001574983400 950218422 /nfs/dbraw/zinc/21/84/22/950218422.db2.gz OLBWDORENNQGSO-SNVBAGLBSA-N -1 3 351.374 0.939 20 30 FCEDHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1ccc(C#N)cn1 ZINC001574983400 950218435 /nfs/dbraw/zinc/21/84/35/950218435.db2.gz OLBWDORENNQGSO-SNVBAGLBSA-N -1 3 351.374 0.939 20 30 FCEDHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)c1ccc(C#N)nn1 ZINC001574991492 950408984 /nfs/dbraw/zinc/40/89/84/950408984.db2.gz MLRSCKILNQUQAE-SECBINFHSA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)c1ccc(C#N)nn1 ZINC001574991492 950408999 /nfs/dbraw/zinc/40/89/99/950408999.db2.gz MLRSCKILNQUQAE-SECBINFHSA-N -1 3 352.362 0.111 20 30 FCEDHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNc1ccc(C#N)nn1 ZINC001575008419 950744836 /nfs/dbraw/zinc/74/48/36/950744836.db2.gz FEIDBPIDMYQULQ-VIFPVBQESA-N -1 3 352.362 0.334 20 30 FCEDHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNc1ccc(C#N)nn1 ZINC001575008419 950744852 /nfs/dbraw/zinc/74/48/52/950744852.db2.gz FEIDBPIDMYQULQ-VIFPVBQESA-N -1 3 352.362 0.334 20 30 FCEDHM C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575927628 950747391 /nfs/dbraw/zinc/74/73/91/950747391.db2.gz QXKCSYCSWHPENQ-SKDRFNHKSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575927628 950747404 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FCEDHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001571008183 951199263 /nfs/dbraw/zinc/19/92/63/951199263.db2.gz AHWNUIFHILBJSO-LBPRGKRZSA-N -1 3 364.373 0.207 20 30 FCEDHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001571008183 951199271 /nfs/dbraw/zinc/19/92/71/951199271.db2.gz AHWNUIFHILBJSO-LBPRGKRZSA-N -1 3 364.373 0.207 20 30 FCEDHM N#Cc1ccc(NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571009976 951216369 /nfs/dbraw/zinc/21/63/69/951216369.db2.gz OWXPRWNEYMAWMM-UHFFFAOYSA-N -1 3 364.373 0.477 20 30 FCEDHM N#Cc1ccc(NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571009976 951216381 /nfs/dbraw/zinc/21/63/81/951216381.db2.gz OWXPRWNEYMAWMM-UHFFFAOYSA-N -1 3 364.373 0.477 20 30 FCEDHM C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571011046 951223176 /nfs/dbraw/zinc/22/31/76/951223176.db2.gz XXPOXIIYSIWBRP-KOLCDFICSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571011046 951223188 /nfs/dbraw/zinc/22/31/88/951223188.db2.gz XXPOXIIYSIWBRP-KOLCDFICSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571011048 951224224 /nfs/dbraw/zinc/22/42/24/951224224.db2.gz XXPOXIIYSIWBRP-ONGXEEELSA-N -1 3 364.373 0.572 20 30 FCEDHM C[C@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571011048 951224232 /nfs/dbraw/zinc/22/42/32/951224232.db2.gz XXPOXIIYSIWBRP-ONGXEEELSA-N -1 3 364.373 0.572 20 30 FCEDHM N#Cc1nc(N)n(Cc2cccc(CN3CCOCC3)c2)c1-c1nnn[n-]1 ZINC001571017225 951329772 /nfs/dbraw/zinc/32/97/72/951329772.db2.gz PEQOKDYJQFZEKB-UHFFFAOYSA-N -1 3 365.401 0.398 20 30 FCEDHM N#Cc1nc(N)n(Cc2cccc(CN3CCOCC3)c2)c1-c1nn[n-]n1 ZINC001571017225 951329782 /nfs/dbraw/zinc/32/97/82/951329782.db2.gz PEQOKDYJQFZEKB-UHFFFAOYSA-N -1 3 365.401 0.398 20 30 FCEDHM COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571055981 951866084 /nfs/dbraw/zinc/86/60/84/951866084.db2.gz 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20 30 FCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588503207 1282539906 /nfs/dbraw/zinc/53/99/06/1282539906.db2.gz XFBVMVGNHUNNQH-GUYCJALGSA-N -1 3 357.418 0.896 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588503473 1282540297 /nfs/dbraw/zinc/54/02/97/1282540297.db2.gz YUTMMDIWEOJGCR-YVEFUNNKSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588503473 1282540304 /nfs/dbraw/zinc/54/03/04/1282540304.db2.gz YUTMMDIWEOJGCR-YVEFUNNKSA-N -1 3 373.417 0.243 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588503691 1282544219 /nfs/dbraw/zinc/54/42/19/1282544219.db2.gz DBDRYGOEGBYMRV-UGSOOPFHSA-N -1 3 371.445 0.840 20 30 FCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588503691 1282544231 /nfs/dbraw/zinc/54/42/31/1282544231.db2.gz DBDRYGOEGBYMRV-UGSOOPFHSA-N -1 3 371.445 0.840 20 30 FCEDHM 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359.390 0.118 20 30 FCEDHM C=CCN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001588627765 1282602140 /nfs/dbraw/zinc/60/21/40/1282602140.db2.gz JKNMEWNBYIDDLT-LSDHHAIUSA-N -1 3 363.443 0.575 20 30 FCEDHM C=CCN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001588627765 1282602147 /nfs/dbraw/zinc/60/21/47/1282602147.db2.gz JKNMEWNBYIDDLT-LSDHHAIUSA-N -1 3 363.443 0.575 20 30 FCEDHM C=CCN(CC=C)C(=O)CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001588631872 1282602209 /nfs/dbraw/zinc/60/22/09/1282602209.db2.gz NMWWLSCKTYATCB-UHFFFAOYSA-N -1 3 368.445 0.584 20 30 FCEDHM C=CCN(CC=C)C(=O)CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001588631872 1282602214 /nfs/dbraw/zinc/60/22/14/1282602214.db2.gz NMWWLSCKTYATCB-UHFFFAOYSA-N -1 3 368.445 0.584 20 30 FCEDHM C=CCN1C(=O)c2ccc(C(=O)n3ncc(-c4nnn[n-]4)c3N)cc2C1=O ZINC001588654320 1282604777 /nfs/dbraw/zinc/60/47/77/1282604777.db2.gz DQBHVZMTWDXKMK-UHFFFAOYSA-N -1 3 364.325 0.116 20 30 FCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(CO)n1CCOC 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