smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000592110260 677678881 /nfs/dbraw/zinc/67/88/81/677678881.db2.gz BFQWRWUTLOGHKS-SNVBAGLBSA-N -1 1 380.249 1.833 20 30 GDEDMM C#CC[C@@H](COC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000859429796 677679393 /nfs/dbraw/zinc/67/93/93/677679393.db2.gz IUFQHEHFRKYSRJ-ZDUSSCGKSA-N -1 1 392.474 1.294 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nn[n-]n2)cn1 ZINC001573287466 946837575 /nfs/dbraw/zinc/83/75/75/946837575.db2.gz IECXHSKSQANYHI-KBPBESRZSA-N -1 1 392.448 1.111 20 30 GDEDMM C#CCO[C@@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573287578 946839778 /nfs/dbraw/zinc/83/97/78/946839778.db2.gz NRXDIYALVWBQNE-LBPRGKRZSA-N -1 1 389.485 1.368 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573289176 946883733 /nfs/dbraw/zinc/88/37/33/946883733.db2.gz XBEDHLRCVYQVKE-VXGBXAGGSA-N -1 1 377.412 1.042 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573289176 946883742 /nfs/dbraw/zinc/88/37/42/946883742.db2.gz XBEDHLRCVYQVKE-VXGBXAGGSA-N -1 1 377.412 1.042 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573289455 946886400 /nfs/dbraw/zinc/88/64/00/946886400.db2.gz ZDTGPOLCPRCDRC-CZUORRHYSA-N -1 1 388.435 1.425 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573289455 946886412 /nfs/dbraw/zinc/88/64/12/946886412.db2.gz ZDTGPOLCPRCDRC-CZUORRHYSA-N -1 1 388.435 1.425 20 30 GDEDMM C#Cc1cncc(C(=O)N(C)CCCNc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001573289670 946889249 /nfs/dbraw/zinc/88/92/49/946889249.db2.gz AXBBACRNHCLMFS-UHFFFAOYSA-N -1 1 391.439 1.170 20 30 GDEDMM C#Cc1cncc(C(=O)N(C)CCCNc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001573289670 946889270 /nfs/dbraw/zinc/88/92/70/946889270.db2.gz AXBBACRNHCLMFS-UHFFFAOYSA-N -1 1 391.439 1.170 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573566306 947023987 /nfs/dbraw/zinc/02/39/87/947023987.db2.gz BATXLEQSLOGJJR-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573566306 947023999 /nfs/dbraw/zinc/02/39/99/947023999.db2.gz BATXLEQSLOGJJR-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573567391 947044148 /nfs/dbraw/zinc/04/41/48/947044148.db2.gz MRSZEYLHGLDLAQ-AEJSXWLSSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573567391 947044156 /nfs/dbraw/zinc/04/41/56/947044156.db2.gz MRSZEYLHGLDLAQ-AEJSXWLSSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573569655 947076847 /nfs/dbraw/zinc/07/68/47/947076847.db2.gz CZEPGYBKKWUNAZ-DUVNUKRYSA-N -1 1 389.423 1.223 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573569655 947076855 /nfs/dbraw/zinc/07/68/55/947076855.db2.gz CZEPGYBKKWUNAZ-DUVNUKRYSA-N -1 1 389.423 1.223 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001573570059 947081905 /nfs/dbraw/zinc/08/19/05/947081905.db2.gz JJZJRYPCGHSSJB-BBBLOLIVSA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001573570059 947081917 /nfs/dbraw/zinc/08/19/17/947081917.db2.gz JJZJRYPCGHSSJB-BBBLOLIVSA-N -1 1 392.876 1.421 20 30 GDEDMM C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573300207 947107623 /nfs/dbraw/zinc/10/76/23/947107623.db2.gz VVFWZCCILHEGFR-CQSZACIVSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C1CC(C)(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573300207 947107630 /nfs/dbraw/zinc/10/76/30/947107630.db2.gz VVFWZCCILHEGFR-CQSZACIVSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C[C@H](C(=O)NCCN(CCC)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573301229 947132166 /nfs/dbraw/zinc/13/21/66/947132166.db2.gz UWPMLCLWUYLCHT-INIZCTEOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@H](C(=O)NCCN(CCC)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573301229 947132173 /nfs/dbraw/zinc/13/21/73/947132173.db2.gz UWPMLCLWUYLCHT-INIZCTEOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573301277 947135075 /nfs/dbraw/zinc/13/50/75/947135075.db2.gz WKAHUTJCUMUBFQ-VNQPRFMTSA-N -1 1 390.451 1.355 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001573577381 947165507 /nfs/dbraw/zinc/16/55/07/947165507.db2.gz OTSKWXJYYGNRAA-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001573577381 947165515 /nfs/dbraw/zinc/16/55/15/947165515.db2.gz OTSKWXJYYGNRAA-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573309364 947198093 /nfs/dbraw/zinc/19/80/93/947198093.db2.gz HQEGEBKIMJGEPD-GIHMMQTOSA-N -1 1 383.865 1.363 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573309364 947198097 /nfs/dbraw/zinc/19/80/97/947198097.db2.gz HQEGEBKIMJGEPD-GIHMMQTOSA-N -1 1 383.865 1.363 20 30 GDEDMM C=C[C@H](CC)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573314753 947238382 /nfs/dbraw/zinc/23/83/82/947238382.db2.gz GJYAZDMBKISGJI-HIFRSBDPSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C[C@H](CC)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573314753 947238391 /nfs/dbraw/zinc/23/83/91/947238391.db2.gz GJYAZDMBKISGJI-HIFRSBDPSA-N -1 1 382.472 1.734 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001573586772 947294061 /nfs/dbraw/zinc/29/40/61/947294061.db2.gz SROXGBKGNVIWKS-OLBFVZFUSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001573586772 947294072 /nfs/dbraw/zinc/29/40/72/947294072.db2.gz SROXGBKGNVIWKS-OLBFVZFUSA-N -1 1 392.876 1.611 20 30 GDEDMM C=CC[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573319559 947330275 /nfs/dbraw/zinc/33/02/75/947330275.db2.gz PDSUSSFQSBEBBU-HNNXBMFYSA-N -1 1 378.440 1.887 20 30 GDEDMM C=CC[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573319559 947330287 /nfs/dbraw/zinc/33/02/87/947330287.db2.gz PDSUSSFQSBEBBU-HNNXBMFYSA-N -1 1 378.440 1.887 20 30 GDEDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000825966217 947388842 /nfs/dbraw/zinc/38/88/42/947388842.db2.gz SZPSGPWXFUDXAW-UHFFFAOYSA-N -1 1 391.222 1.900 20 30 GDEDMM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573336145 947501902 /nfs/dbraw/zinc/50/19/02/947501902.db2.gz JLEDGAJDYXXFCZ-QWHCGFSZSA-N -1 1 384.444 1.089 20 30 GDEDMM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573336145 947501915 /nfs/dbraw/zinc/50/19/15/947501915.db2.gz JLEDGAJDYXXFCZ-QWHCGFSZSA-N -1 1 384.444 1.089 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573336214 947503548 /nfs/dbraw/zinc/50/35/48/947503548.db2.gz LFIWTJGTURBFAX-JQWIXIFHSA-N -1 1 379.490 1.554 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573336673 947509197 /nfs/dbraw/zinc/50/91/97/947509197.db2.gz PWRXPWXXRQKEIG-KGLIPLIRSA-N -1 1 386.460 1.065 20 30 GDEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573347744 947576471 /nfs/dbraw/zinc/57/64/71/947576471.db2.gz HABHXKBISFZCGL-ZIAGYGMSSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCOCCCC(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573348776 947588708 /nfs/dbraw/zinc/58/87/08/947588708.db2.gz WCDKAZGWRPTNNH-UHFFFAOYSA-N -1 1 391.501 1.699 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573350300 947593559 /nfs/dbraw/zinc/59/35/59/947593559.db2.gz CLESWQCETJMJLM-MNSOJDNVSA-N -1 1 398.471 1.429 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573350300 947593563 /nfs/dbraw/zinc/59/35/63/947593563.db2.gz CLESWQCETJMJLM-MNSOJDNVSA-N -1 1 398.471 1.429 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573351439 947614892 /nfs/dbraw/zinc/61/48/92/947614892.db2.gz NEPZRZDVRWDQSJ-ZJUUUORDSA-N -1 1 397.892 1.510 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573351439 947614899 /nfs/dbraw/zinc/61/48/99/947614899.db2.gz NEPZRZDVRWDQSJ-ZJUUUORDSA-N -1 1 397.892 1.510 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573351900 947623046 /nfs/dbraw/zinc/62/30/46/947623046.db2.gz XIIHSSLHRVAIFF-HIFRSBDPSA-N -1 1 398.471 1.479 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573351900 947623052 /nfs/dbraw/zinc/62/30/52/947623052.db2.gz XIIHSSLHRVAIFF-HIFRSBDPSA-N -1 1 398.471 1.479 20 30 GDEDMM CC#CCCCC(=O)NC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573357935 947655114 /nfs/dbraw/zinc/65/51/14/947655114.db2.gz CWVQHDUBMYTLHP-AWEZNQCLSA-N -1 1 382.472 1.498 20 30 GDEDMM CC#CCCCC(=O)NC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573357935 947655122 /nfs/dbraw/zinc/65/51/22/947655122.db2.gz CWVQHDUBMYTLHP-AWEZNQCLSA-N -1 1 382.472 1.498 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCC(C)(C)C#N ZINC000826327990 947955080 /nfs/dbraw/zinc/95/50/80/947955080.db2.gz BQCBMSNNDXGHMC-UHFFFAOYSA-N -1 1 382.428 1.942 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCC(C)(C)C#N ZINC000826327990 947955089 /nfs/dbraw/zinc/95/50/89/947955089.db2.gz BQCBMSNNDXGHMC-UHFFFAOYSA-N -1 1 382.428 1.942 20 30 GDEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)C(C)(C)CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001573754553 948743177 /nfs/dbraw/zinc/74/31/77/948743177.db2.gz HPVHLJDOBTXZSU-MRVPVSSYSA-N -1 1 383.441 1.815 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178419 949888993 /nfs/dbraw/zinc/88/89/93/949888993.db2.gz BFMVAGVSJOVVFG-XHDPSFHLSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178419 949889018 /nfs/dbraw/zinc/88/90/18/949889018.db2.gz BFMVAGVSJOVVFG-XHDPSFHLSA-N -1 1 392.427 1.209 20 30 GDEDMM CC1CCN(C(=O)C2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)CC1 ZINC001576184423 950129017 /nfs/dbraw/zinc/12/90/17/950129017.db2.gz VOMJHPFNUAZKJG-UHFFFAOYSA-N -1 1 381.444 1.003 20 30 GDEDMM CC1CCN(C(=O)C2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)CC1 ZINC001576184423 950129033 /nfs/dbraw/zinc/12/90/33/950129033.db2.gz VOMJHPFNUAZKJG-UHFFFAOYSA-N -1 1 381.444 1.003 20 30 GDEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574982407 950163871 /nfs/dbraw/zinc/16/38/71/950163871.db2.gz CBVPRPHXEVGMPJ-LURJTMIESA-N -1 1 377.821 1.407 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001573853143 950316149 /nfs/dbraw/zinc/31/61/49/950316149.db2.gz MBAIOUKAXIMMIE-AAEUAGOBSA-N -1 1 397.443 1.364 20 30 GDEDMM CC1CCN(c2ccc(CNc3cnc(C#N)c(-c4nn[n-]n4)n3)cn2)CC1 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/nfs/dbraw/zinc/85/24/96/952852496.db2.gz ATTDNUNTHNXZGY-GFCCVEGCSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(N(CC2CC2)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571179261 952852506 /nfs/dbraw/zinc/85/25/06/952852506.db2.gz ATTDNUNTHNXZGY-GFCCVEGCSA-N -1 1 381.444 1.024 20 30 GDEDMM N#Cc1nc(N2CCc3ccc(Br)cc3C2)cnc1-c1nnn[n-]1 ZINC001571218934 953121129 /nfs/dbraw/zinc/12/11/29/953121129.db2.gz SNQJPIJBYSBLGR-UHFFFAOYSA-N -1 1 383.213 1.854 20 30 GDEDMM N#Cc1nc(N2CCc3ccc(Br)cc3C2)cnc1-c1nn[n-]n1 ZINC001571218934 953121131 /nfs/dbraw/zinc/12/11/31/953121131.db2.gz SNQJPIJBYSBLGR-UHFFFAOYSA-N -1 1 383.213 1.854 20 30 GDEDMM N#Cc1ccccc1OCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594632436 956352794 /nfs/dbraw/zinc/35/27/94/956352794.db2.gz YQAGSEOSEUVDPA-BXUZGUMPSA-N -1 1 399.325 1.060 20 30 GDEDMM O=C([O-])COc1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1[N+](=O)[O-] ZINC000731557580 978297695 /nfs/dbraw/zinc/29/76/95/978297695.db2.gz RYFJXEKYEQUANK-UHFFFAOYSA-N -1 1 391.287 1.839 20 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CC1(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC[NH+](Cc2ccccc2)CC1 ZINC001575614614 950542212 /nfs/dbraw/zinc/54/22/12/950542212.db2.gz KCAPWLQISJFENM-UHFFFAOYSA-N -1 1 391.439 1.702 20 30 GDEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574754088 950560482 /nfs/dbraw/zinc/56/04/82/950560482.db2.gz XKJGTJOETUBELU-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574754088 950560495 /nfs/dbraw/zinc/56/04/95/950560495.db2.gz XKJGTJOETUBELU-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM CN(CCc1nccc(C(F)(F)F)n1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001571120104 952498989 /nfs/dbraw/zinc/49/89/89/952498989.db2.gz HWAIASNMPZVFEX-UHFFFAOYSA-N -1 1 376.306 1.016 20 30 GDEDMM CN(CCc1ccc(Br)cc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001571255467 953349846 /nfs/dbraw/zinc/34/98/46/953349846.db2.gz KYLWVLVZVYAVEP-UHFFFAOYSA-N -1 1 385.229 1.970 20 30 GDEDMM CN(CCc1ccc(Br)cc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001571255467 953349849 /nfs/dbraw/zinc/34/98/49/953349849.db2.gz KYLWVLVZVYAVEP-UHFFFAOYSA-N -1 1 385.229 1.970 20 30 GDEDMM COC(=O)C1CC2(C1)CN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C[C@H]2C(=O)[O-] ZINC001574047827 962136682 /nfs/dbraw/zinc/13/66/82/962136682.db2.gz NXJPPJYDGUWDKU-VYAKWRIJSA-N -1 1 397.431 1.249 20 30 GDEDMM CN1CCN(c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c3cnccc32)CC1 ZINC001604228433 972729469 /nfs/dbraw/zinc/72/94/69/972729469.db2.gz WNKRRPLDECNSTP-FQEVSTJZSA-N -1 1 381.436 1.930 20 30 GDEDMM CCOC(=O)CON=C(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccn[nH]1 ZINC001603797078 974266531 /nfs/dbraw/zinc/26/65/31/974266531.db2.gz XHFIEGIAZMGACF-GFCCVEGCSA-N -1 1 382.417 1.089 20 30 GDEDMM N#Cc1cncc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])c1 ZINC000565984417 974592887 /nfs/dbraw/zinc/59/28/87/974592887.db2.gz XJVHCYAIJALBMP-UHFFFAOYSA-N -1 1 388.405 1.289 20 30 GDEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC001592408419 977988823 /nfs/dbraw/zinc/98/88/23/977988823.db2.gz CJKFRWKJGJRTCX-AWEZNQCLSA-N -1 1 375.429 1.777 20 30 GDEDMM C=CCn1c([C@H]2CCCN2C2CCOCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588897402 984509795 /nfs/dbraw/zinc/50/97/95/984509795.db2.gz KOJDHZKRKLRSTO-GDBMZVCRSA-N -1 1 375.473 1.691 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N(CC#N)CCC(=O)[O-])[nH]n2)C1 ZINC001589992088 988900810 /nfs/dbraw/zinc/90/08/10/988900810.db2.gz ONOBKVYHERKOAN-GFCCVEGCSA-N -1 1 391.428 1.575 20 30 GDEDMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055586847 530709950 /nfs/dbraw/zinc/70/99/50/530709950.db2.gz YFXRAJYSWXPBPD-UHFFFAOYSA-N -1 1 385.854 1.921 20 30 GDEDMM C[C@H]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1 ZINC000349479650 531231583 /nfs/dbraw/zinc/23/15/83/531231583.db2.gz VAGQPNIVZNDXOX-STQMWFEESA-N -1 1 386.499 1.145 20 30 GDEDMM N#C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000290950396 531267330 /nfs/dbraw/zinc/26/73/30/531267330.db2.gz XDGIROOBCBSVAD-SECBINFHSA-N -1 1 378.237 1.023 20 30 GDEDMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1C ZINC000435751475 531269719 /nfs/dbraw/zinc/26/97/19/531269719.db2.gz GHRSBNLCNHUEHK-UHFFFAOYSA-N -1 1 379.463 1.884 20 30 GDEDMM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1)C1CCC1 ZINC000349538404 531308348 /nfs/dbraw/zinc/30/83/48/531308348.db2.gz GORGJGKYCRAKTK-GFCCVEGCSA-N -1 1 386.499 1.193 20 30 GDEDMM N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCCC2)c1 ZINC000349560902 531333671 /nfs/dbraw/zinc/33/36/71/531333671.db2.gz CGIHGJRSNFUXCW-UHFFFAOYSA-N -1 1 386.499 1.195 20 30 GDEDMM N#Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)NC2CC=CC2)n1 ZINC000349569343 531343571 /nfs/dbraw/zinc/34/35/71/531343571.db2.gz VOKHEVUEZSXQCX-UHFFFAOYSA-N -1 1 384.483 1.113 20 30 GDEDMM N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC=CCC2)c1 ZINC000349592150 531367995 /nfs/dbraw/zinc/36/79/95/531367995.db2.gz NBBBVLZKLOPVRT-CQSZACIVSA-N -1 1 384.483 1.113 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C(C)(C)C#N)c(F)c1 ZINC000450996417 531528566 /nfs/dbraw/zinc/52/85/66/531528566.db2.gz DCHQFOPGWCOESV-UHFFFAOYSA-N -1 1 377.463 1.900 20 30 GDEDMM CCc1nc(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)n[nH]1 ZINC000451598540 531644055 /nfs/dbraw/zinc/64/40/55/531644055.db2.gz OSHHWEJYPFQYTB-UHFFFAOYSA-N -1 1 388.222 1.619 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)cc1Br ZINC000296130982 531659249 /nfs/dbraw/zinc/65/92/49/531659249.db2.gz JCTQKYNJROZETM-WPRPVWTQSA-N -1 1 377.235 1.899 20 30 GDEDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000416592945 531695189 /nfs/dbraw/zinc/69/51/89/531695189.db2.gz PDGGWJJLVRRMIN-UHFFFAOYSA-N -1 1 390.234 1.359 20 30 GDEDMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461379 531704248 /nfs/dbraw/zinc/70/42/48/531704248.db2.gz UFTMBPMLNORFPT-UHFFFAOYSA-N -1 1 379.463 1.804 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](CO)O2)cc1Br ZINC000296985129 531745036 /nfs/dbraw/zinc/74/50/36/531745036.db2.gz ITLGRPWTEIDAIH-ZJUUUORDSA-N -1 1 393.234 1.278 20 30 GDEDMM C#CCCNC(=O)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000735375918 598855099 /nfs/dbraw/zinc/85/50/99/598855099.db2.gz TYRFWGZVLBMNIU-UHFFFAOYSA-N -1 1 391.391 1.440 20 30 GDEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000737201820 598918421 /nfs/dbraw/zinc/91/84/21/598918421.db2.gz WPFJJAKYWNEYTO-UHFFFAOYSA-N -1 1 388.391 1.899 20 30 GDEDMM C=CCc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1OC ZINC000735442565 598999529 /nfs/dbraw/zinc/99/95/29/598999529.db2.gz GYMKHLPDKZWRPY-UHFFFAOYSA-N -1 1 380.408 1.937 20 30 GDEDMM C=CCc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1OC ZINC000735442565 598999531 /nfs/dbraw/zinc/99/95/31/598999531.db2.gz GYMKHLPDKZWRPY-UHFFFAOYSA-N -1 1 380.408 1.937 20 30 GDEDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736239108 599134158 /nfs/dbraw/zinc/13/41/58/599134158.db2.gz VZXXKYCBVRWDNB-MLZJXEJWSA-N -1 1 397.439 1.738 20 30 GDEDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736239108 599134160 /nfs/dbraw/zinc/13/41/60/599134160.db2.gz VZXXKYCBVRWDNB-MLZJXEJWSA-N -1 1 397.439 1.738 20 30 GDEDMM C[C@@H](COC(=O)c1ccc(C#N)nc1)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736038508 599496092 /nfs/dbraw/zinc/49/60/92/599496092.db2.gz VQJKRMLWCYZCOU-NSHDSACASA-N -1 1 393.363 1.178 20 30 GDEDMM C[C@@H](COC(=O)c1ccc(C#N)nc1)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736038508 599496094 /nfs/dbraw/zinc/49/60/94/599496094.db2.gz VQJKRMLWCYZCOU-NSHDSACASA-N -1 1 393.363 1.178 20 30 GDEDMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000737548246 599604708 /nfs/dbraw/zinc/60/47/08/599604708.db2.gz PBPPNXMPRRIHRU-UHFFFAOYSA-N -1 1 379.315 1.816 20 30 GDEDMM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000739075565 599799181 /nfs/dbraw/zinc/79/91/81/599799181.db2.gz TUAPJZXMXMXYMH-SECBINFHSA-N -1 1 392.324 1.061 20 30 GDEDMM Cc1nc2c(cnn2C)c(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000833001637 601315893 /nfs/dbraw/zinc/31/58/93/601315893.db2.gz NOHCWYZCYPDQQZ-KRWDZBQOSA-N -1 1 391.435 1.491 20 30 GDEDMM N#Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000826385111 607610483 /nfs/dbraw/zinc/61/04/83/607610483.db2.gz XPJWIGHHQFMVCT-UHFFFAOYSA-N -1 1 376.348 1.495 20 30 GDEDMM Cc1ccc(C#N)cc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826281423 607671006 /nfs/dbraw/zinc/67/10/06/607671006.db2.gz QSMVFQREYJKUFR-UHFFFAOYSA-N -1 1 386.349 1.723 20 30 GDEDMM N#Cc1cnc2ccc(Cl)cc2c1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822842600 606442380 /nfs/dbraw/zinc/44/23/80/606442380.db2.gz PSDXWLFXMZLZCW-UHFFFAOYSA-N -1 1 394.830 1.712 20 30 GDEDMM N#Cc1cnc2ccc(Cl)cc2c1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822842600 606442381 /nfs/dbraw/zinc/44/23/81/606442381.db2.gz PSDXWLFXMZLZCW-UHFFFAOYSA-N -1 1 394.830 1.712 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000820804082 606807354 /nfs/dbraw/zinc/80/73/54/606807354.db2.gz MJANVSYZALPOBY-NSHDSACASA-N -1 1 392.383 1.152 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000820804082 606807355 /nfs/dbraw/zinc/80/73/55/606807355.db2.gz MJANVSYZALPOBY-NSHDSACASA-N -1 1 392.383 1.152 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000820804683 606807481 /nfs/dbraw/zinc/80/74/81/606807481.db2.gz XLUPIAHBXBNXQN-LLVKDONJSA-N -1 1 392.383 1.152 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000820804683 606807482 /nfs/dbraw/zinc/80/74/82/606807482.db2.gz XLUPIAHBXBNXQN-LLVKDONJSA-N -1 1 392.383 1.152 20 30 GDEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2C(C)(C)C#N)c1 ZINC000821666880 607160842 /nfs/dbraw/zinc/16/08/42/607160842.db2.gz KRPMJHABHREQOQ-UHFFFAOYSA-N -1 1 378.392 1.664 20 30 GDEDMM N#Cc1ccc(-c2cccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)s1 ZINC000822823643 607218968 /nfs/dbraw/zinc/21/89/68/607218968.db2.gz VYQRSRSDLDRKTF-UHFFFAOYSA-N -1 1 391.420 1.375 20 30 GDEDMM C[C@@H](C#N)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000824034692 608358886 /nfs/dbraw/zinc/35/88/86/608358886.db2.gz MWMQJPCUUOGEBS-NSHDSACASA-N -1 1 392.379 1.268 20 30 GDEDMM N#Cc1ncn(CCC(=O)Nc2cccc(Br)c2)c1-c1nn[n-]n1 ZINC000826388138 609186803 /nfs/dbraw/zinc/18/68/03/609186803.db2.gz JVRYZIYRYJRZGJ-UHFFFAOYSA-N -1 1 387.201 1.726 20 30 GDEDMM COC(=O)[C@H]([N-]S(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1Cl ZINC000544104309 650435184 /nfs/dbraw/zinc/43/51/84/650435184.db2.gz HHHJAPDXIYSCAT-GFCCVEGCSA-N -1 1 380.253 1.887 20 30 GDEDMM N#CCN1CCC[C@H](CNC(=O)c2ccc(I)c([O-])c2)C1 ZINC000544869288 650447452 /nfs/dbraw/zinc/44/74/52/650447452.db2.gz KECXCDBYPUORCQ-LLVKDONJSA-N -1 1 399.232 1.962 20 30 GDEDMM N#CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000563735075 650739014 /nfs/dbraw/zinc/73/90/14/650739014.db2.gz XLUUCNMFXYEFDT-UHFFFAOYSA-N -1 1 383.455 1.183 20 30 GDEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)[C@@H]1CCCO1 ZINC000773060447 654579744 /nfs/dbraw/zinc/57/97/44/654579744.db2.gz YYUBRAFBXQDURC-IUCAKERBSA-N -1 1 392.227 1.288 20 30 GDEDMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830200841 654936347 /nfs/dbraw/zinc/93/63/47/654936347.db2.gz XLXQLETVKFQGER-UHFFFAOYSA-N -1 1 392.250 1.607 20 30 GDEDMM C#CCN(CC#CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000830707792 654955661 /nfs/dbraw/zinc/95/56/61/654955661.db2.gz JJFGAPFDGPKTKB-UHFFFAOYSA-N -1 1 386.470 1.625 20 30 GDEDMM Cn1ncc2c1nc(NN=Cc1cc(O)cc(Br)c1[O-])[nH]c2=O ZINC000755716143 654997971 /nfs/dbraw/zinc/99/79/71/654997971.db2.gz CHZQAQGUMFLFAA-UHFFFAOYSA-N -1 1 379.174 1.689 20 30 GDEDMM Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1ccc(C(N)=O)nn1 ZINC000756830848 655028410 /nfs/dbraw/zinc/02/84/10/655028410.db2.gz DEPZRAZJCAEWPB-UHFFFAOYSA-N -1 1 375.186 1.415 20 30 GDEDMM C#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000811185530 655190475 /nfs/dbraw/zinc/19/04/75/655190475.db2.gz NOTUBEJNZOHCPP-CHWSQXEVSA-N -1 1 391.276 1.569 20 30 GDEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cn1nc(CC#N)n(C)c1=S ZINC000848501742 655494524 /nfs/dbraw/zinc/49/45/24/655494524.db2.gz DXOWCKUSIIBKAE-NXEZZACHSA-N -1 1 376.408 1.506 20 30 GDEDMM C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000848941388 655502748 /nfs/dbraw/zinc/50/27/48/655502748.db2.gz NPQFCIZQRWCHDE-UHFFFAOYSA-N -1 1 382.467 1.081 20 30 GDEDMM C#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000848957672 655505974 /nfs/dbraw/zinc/50/59/74/655505974.db2.gz CXKZJSBOSQAYAC-UHFFFAOYSA-N -1 1 385.511 1.421 20 30 GDEDMM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000848964728 655511825 /nfs/dbraw/zinc/51/18/25/655511825.db2.gz CGUDVLBICCOVBL-NSHDSACASA-N -1 1 379.891 1.116 20 30 GDEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000859427086 655783381 /nfs/dbraw/zinc/78/33/81/655783381.db2.gz RGWMTMBPGXKOAY-JTQLQIEISA-N -1 1 377.216 1.674 20 30 GDEDMM O=C(COC(F)(F)F)[N-][C@H](CNC(=O)COC(F)(F)F)C(F)(F)F ZINC000934822941 657379084 /nfs/dbraw/zinc/37/90/84/657379084.db2.gz DFVXLNATALXWBI-SCSAIBSYSA-N -1 1 380.163 1.223 20 30 GDEDMM C[C@](CNC(=O)COC(F)(F)F)([N-]C(=O)COC(F)(F)F)C(F)(F)F ZINC000905287665 659440131 /nfs/dbraw/zinc/44/01/31/659440131.db2.gz HDDUXVUDGWIGED-SSDOTTSWSA-N -1 1 394.190 1.613 20 30 GDEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCCN1CCOCC1 ZINC000915941070 660181564 /nfs/dbraw/zinc/18/15/64/660181564.db2.gz NQHVCKPRTCKZQR-UHFFFAOYSA-N -1 1 387.303 1.285 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001571312482 946494300 /nfs/dbraw/zinc/49/43/00/946494300.db2.gz FJXMPNWQBVHFEV-UHFFFAOYSA-N -1 1 392.427 1.272 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001571312482 946494309 /nfs/dbraw/zinc/49/43/09/946494309.db2.gz FJXMPNWQBVHFEV-UHFFFAOYSA-N -1 1 392.427 1.272 20 30 GDEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571312795 946502360 /nfs/dbraw/zinc/50/23/60/946502360.db2.gz KJRZIOUBESMMNG-AAEUAGOBSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 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XUSSGFFNSNQJFG-UHFFFAOYSA-N -1 1 382.472 1.525 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001573289170 946883444 /nfs/dbraw/zinc/88/34/44/946883444.db2.gz XBEDHLRCVYQVKE-NEPJUHHUSA-N -1 1 377.412 1.042 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001573289170 946883455 /nfs/dbraw/zinc/88/34/55/946883455.db2.gz XBEDHLRCVYQVKE-NEPJUHHUSA-N -1 1 377.412 1.042 20 30 GDEDMM C#Cc1ccccc1CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573289654 946888780 /nfs/dbraw/zinc/88/87/80/946888780.db2.gz AKWNMITXZRJAHZ-ZDUSSCGKSA-N -1 1 376.424 1.187 20 30 GDEDMM C#Cc1ccccc1CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573289654 946888790 /nfs/dbraw/zinc/88/87/90/946888790.db2.gz AKWNMITXZRJAHZ-ZDUSSCGKSA-N -1 1 376.424 1.187 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573289646 946888867 /nfs/dbraw/zinc/88/88/67/946888867.db2.gz AKICTVTUPAEAEW-CJNGLKHVSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573289646 946888880 /nfs/dbraw/zinc/88/88/80/946888880.db2.gz AKICTVTUPAEAEW-CJNGLKHVSA-N -1 1 388.435 1.282 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)OCC ZINC001573292856 946940685 /nfs/dbraw/zinc/94/06/85/946940685.db2.gz FLDBVZYBGOPUQH-AWEZNQCLSA-N -1 1 386.460 1.113 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)OCC ZINC001573292856 946940688 /nfs/dbraw/zinc/94/06/88/946940688.db2.gz FLDBVZYBGOPUQH-AWEZNQCLSA-N -1 1 386.460 1.113 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)OCC ZINC001573292981 946945404 /nfs/dbraw/zinc/94/54/04/946945404.db2.gz ICRRKAVOIHQZHD-ZFWWWQNUSA-N -1 1 386.460 1.113 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)OCC ZINC001573292981 946945410 /nfs/dbraw/zinc/94/54/10/946945410.db2.gz ICRRKAVOIHQZHD-ZFWWWQNUSA-N -1 1 386.460 1.113 20 30 GDEDMM C[C@H](C#N)C(=O)N(C)C1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573560820 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MNVMJQVDDFSWIN-ZENOOKHLSA-N -1 1 386.460 1.191 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573294947 947003733 /nfs/dbraw/zinc/00/37/33/947003733.db2.gz MNVMJQVDDFSWIN-ZENOOKHLSA-N -1 1 386.460 1.191 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573295874 947032163 /nfs/dbraw/zinc/03/21/63/947032163.db2.gz VEALRXSVBVJEPR-KEYYUXOJSA-N -1 1 398.471 1.113 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573295874 947032173 /nfs/dbraw/zinc/03/21/73/947032173.db2.gz VEALRXSVBVJEPR-KEYYUXOJSA-N -1 1 398.471 1.113 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573567540 947046660 /nfs/dbraw/zinc/04/66/60/947046660.db2.gz OENARTZSMVRKHR-BDAKNGLRSA-N -1 1 380.865 1.929 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573567540 947046675 /nfs/dbraw/zinc/04/66/75/947046675.db2.gz OENARTZSMVRKHR-BDAKNGLRSA-N -1 1 380.865 1.929 20 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C=C[C@@H](C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573299036 947086366 /nfs/dbraw/zinc/08/63/66/947086366.db2.gz BYFNBEUTHNUQRA-UKRRQHHQSA-N -1 1 378.440 1.933 20 30 GDEDMM C=C[C@@H](C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573299036 947086380 /nfs/dbraw/zinc/08/63/80/947086380.db2.gz BYFNBEUTHNUQRA-UKRRQHHQSA-N -1 1 378.440 1.933 20 30 GDEDMM C=C1CC(C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCOCC2)C1 ZINC001573299547 947097184 /nfs/dbraw/zinc/09/71/84/947097184.db2.gz UJBKTYKKICBLKU-UHFFFAOYSA-N -1 1 384.444 1.090 20 30 GDEDMM C=C1CC(C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCOCC2)C1 ZINC001573299547 947097197 /nfs/dbraw/zinc/09/71/97/947097197.db2.gz UJBKTYKKICBLKU-UHFFFAOYSA-N -1 1 384.444 1.090 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC001573573464 947122548 /nfs/dbraw/zinc/12/25/48/947122548.db2.gz NMEWDDZCYXQQAO-OLBFVZFUSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC001573573464 947122553 /nfs/dbraw/zinc/12/25/53/947122553.db2.gz NMEWDDZCYXQQAO-OLBFVZFUSA-N -1 1 392.876 1.754 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001573301161 947130322 /nfs/dbraw/zinc/13/03/22/947130322.db2.gz SMDQGIJMPZBVBQ-MELADBBJSA-N -1 1 382.472 1.908 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001573301161 947130329 /nfs/dbraw/zinc/13/03/29/947130329.db2.gz SMDQGIJMPZBVBQ-MELADBBJSA-N -1 1 382.472 1.908 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001573576793 947155760 /nfs/dbraw/zinc/15/57/60/947155760.db2.gz JTNLFSRBISEKRH-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001573576793 947155764 /nfs/dbraw/zinc/15/57/64/947155764.db2.gz JTNLFSRBISEKRH-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1(C)C ZINC001573577978 947178406 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-1 1 390.451 1.712 20 30 GDEDMM C=CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573320080 947344094 /nfs/dbraw/zinc/34/40/94/947344094.db2.gz UEMFBWXPETUUSC-JKSUJKDBSA-N -1 1 390.451 1.712 20 30 GDEDMM C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573327629 947392987 /nfs/dbraw/zinc/39/29/87/947392987.db2.gz HXPMGCHGJLHPNU-QGZVFWFLSA-N -1 1 390.451 1.843 20 30 GDEDMM C=CCCC(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573327629 947392998 /nfs/dbraw/zinc/39/29/98/947392998.db2.gz HXPMGCHGJLHPNU-QGZVFWFLSA-N -1 1 390.451 1.843 20 30 GDEDMM C=CCCC(=O)N1CCC(N(CC2CC2)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573329511 947421634 /nfs/dbraw/zinc/42/16/34/947421634.db2.gz KNQQWCCLUHLRHG-UHFFFAOYSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCC(=O)N1CCC(N(CC2CC2)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573329511 947421642 /nfs/dbraw/zinc/42/16/42/947421642.db2.gz KNQQWCCLUHLRHG-UHFFFAOYSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCOCC(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573335738 947488014 /nfs/dbraw/zinc/48/80/14/947488014.db2.gz CTKDTDMLKGNBOY-UHFFFAOYSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCCOCC(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573335738 947488021 /nfs/dbraw/zinc/48/80/21/947488021.db2.gz CTKDTDMLKGNBOY-UHFFFAOYSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573336193 947504330 /nfs/dbraw/zinc/50/43/30/947504330.db2.gz KXHAFWGXQKYXKF-KBPBESRZSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573336193 947504331 /nfs/dbraw/zinc/50/43/31/947504331.db2.gz KXHAFWGXQKYXKF-KBPBESRZSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573336618 947509742 /nfs/dbraw/zinc/50/97/42/947509742.db2.gz PQPGEERYZGOAAD-UONOGXRCSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573336618 947509752 /nfs/dbraw/zinc/50/97/52/947509752.db2.gz PQPGEERYZGOAAD-UONOGXRCSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCOCC(=O)N1CC[C@H]2[C@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573343147 947551659 /nfs/dbraw/zinc/55/16/59/947551659.db2.gz KJZFFCGOBQAYFQ-OLZOCXBDSA-N -1 1 389.485 1.261 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573347644 947575086 /nfs/dbraw/zinc/57/50/86/947575086.db2.gz FYHSBFVSHBSSHZ-CQSZACIVSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573347644 947575091 /nfs/dbraw/zinc/57/50/91/947575091.db2.gz FYHSBFVSHBSSHZ-CQSZACIVSA-N -1 1 386.460 1.290 20 30 GDEDMM CC#CCCCC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573358143 947656416 /nfs/dbraw/zinc/65/64/16/947656416.db2.gz BJJTXKOKUFKGGP-INIZCTEOSA-N -1 1 382.472 1.808 20 30 GDEDMM CC#CCCCC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573358143 947656422 /nfs/dbraw/zinc/65/64/22/947656422.db2.gz BJJTXKOKUFKGGP-INIZCTEOSA-N -1 1 382.472 1.808 20 30 GDEDMM Cc1onc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344546 948008924 /nfs/dbraw/zinc/00/89/24/948008924.db2.gz KRDHLMRWUBJITF-MRXNPFEDSA-N -1 1 392.423 1.115 20 30 GDEDMM Cc1onc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344546 948008930 /nfs/dbraw/zinc/00/89/30/948008930.db2.gz KRDHLMRWUBJITF-MRXNPFEDSA-N -1 1 392.423 1.115 20 30 GDEDMM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575509474 949112599 /nfs/dbraw/zinc/11/25/99/949112599.db2.gz CODADAWJXIZDAD-LLVKDONJSA-N -1 1 391.395 1.682 20 30 GDEDMM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575514888 949176132 /nfs/dbraw/zinc/17/61/32/949176132.db2.gz ZJCRSTUPTSWPCZ-LLVKDONJSA-N -1 1 391.395 1.682 20 30 GDEDMM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575514888 949176148 /nfs/dbraw/zinc/17/61/48/949176148.db2.gz ZJCRSTUPTSWPCZ-LLVKDONJSA-N -1 1 391.395 1.682 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171566 949770358 /nfs/dbraw/zinc/77/03/58/949770358.db2.gz RTQQNPVBMUFYTC-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171566 949770367 /nfs/dbraw/zinc/77/03/67/949770367.db2.gz RTQQNPVBMUFYTC-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574984159 950261429 /nfs/dbraw/zinc/26/14/29/950261429.db2.gz WEVGNLHYTBBEHO-SSDOTTSWSA-N -1 1 391.848 1.431 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574984159 950261454 /nfs/dbraw/zinc/26/14/54/950261454.db2.gz WEVGNLHYTBBEHO-SSDOTTSWSA-N -1 1 391.848 1.431 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC[C@@H]21 ZINC001573851845 950296945 /nfs/dbraw/zinc/29/69/45/950296945.db2.gz AGEANKOCYXJHMW-AAEUAGOBSA-N -1 1 397.443 1.364 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC[C@@H]21 ZINC001573851845 950296956 /nfs/dbraw/zinc/29/69/56/950296956.db2.gz AGEANKOCYXJHMW-AAEUAGOBSA-N -1 1 397.443 1.364 20 30 GDEDMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574162433 950380433 /nfs/dbraw/zinc/38/04/33/950380433.db2.gz ALGLUCGDUHBCER-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574162433 950380452 /nfs/dbraw/zinc/38/04/52/950380452.db2.gz ALGLUCGDUHBCER-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)OC(=O)NC1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCC1 ZINC001573861061 950436221 /nfs/dbraw/zinc/43/62/21/950436221.db2.gz QXYNAPHBZHNAKV-UHFFFAOYSA-N -1 1 385.432 1.778 20 30 GDEDMM CC(C)(C)OC(=O)NCC12CC(C1)CN2c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001573861115 950442397 /nfs/dbraw/zinc/44/23/97/950442397.db2.gz UIJYXLILTSYHNH-UHFFFAOYSA-N -1 1 383.416 1.022 20 30 GDEDMM C[C@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCCN1C(=O)c1ccccc1 ZINC001575614806 950553564 /nfs/dbraw/zinc/55/35/64/950553564.db2.gz QMHYRQGRIHUPRP-GOSISDBHSA-N -1 1 391.395 1.095 20 30 GDEDMM CC1(C)[C@H](NC(=O)C#CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575623187 950649604 /nfs/dbraw/zinc/64/96/04/950649604.db2.gz IYVZYOUDKINCMU-XYPHTWIQSA-N -1 1 392.467 1.180 20 30 GDEDMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)C#CC1CC1 ZINC001575936832 950927155 /nfs/dbraw/zinc/92/71/55/950927155.db2.gz IORFJIAEVIAZJG-WCBMZHEXSA-N -1 1 377.861 1.791 20 30 GDEDMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)C#CC1CC1 ZINC001575936832 950927168 /nfs/dbraw/zinc/92/71/68/950927168.db2.gz IORFJIAEVIAZJG-WCBMZHEXSA-N -1 1 377.861 1.791 20 30 GDEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575017405 950994300 /nfs/dbraw/zinc/99/43/00/950994300.db2.gz FEMGXVNUCIZENW-LURJTMIESA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575017405 950994307 /nfs/dbraw/zinc/99/43/07/950994307.db2.gz FEMGXVNUCIZENW-LURJTMIESA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575020120 951050438 /nfs/dbraw/zinc/05/04/38/951050438.db2.gz YPUAAWAEQPYYNV-SSDOTTSWSA-N -1 1 391.848 1.654 20 30 GDEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575020120 951050448 /nfs/dbraw/zinc/05/04/48/951050448.db2.gz YPUAAWAEQPYYNV-SSDOTTSWSA-N -1 1 391.848 1.654 20 30 GDEDMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575166295 952324847 /nfs/dbraw/zinc/32/48/47/952324847.db2.gz UUZDPFNHHWFWDC-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575166295 952324854 /nfs/dbraw/zinc/32/48/54/952324854.db2.gz UUZDPFNHHWFWDC-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM COC(=O)CC[C@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001571129677 952576394 /nfs/dbraw/zinc/57/63/94/952576394.db2.gz HPIOQZWGEJFOOS-CYBMUJFWSA-N -1 1 378.396 1.505 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001571135804 952609204 /nfs/dbraw/zinc/60/92/04/952609204.db2.gz FAXIRVFAAWYROS-CHWSQXEVSA-N -1 1 378.400 1.010 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001571135804 952609206 /nfs/dbraw/zinc/60/92/06/952609206.db2.gz FAXIRVFAAWYROS-CHWSQXEVSA-N -1 1 378.400 1.010 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571172544 952808279 /nfs/dbraw/zinc/80/82/79/952808279.db2.gz WVKFAUYYPLLQRW-RKDXNWHRSA-N -1 1 380.865 1.929 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571172544 952808283 /nfs/dbraw/zinc/80/82/83/952808283.db2.gz WVKFAUYYPLLQRW-RKDXNWHRSA-N -1 1 380.865 1.929 20 30 GDEDMM COc1ccc(OC)c([C@H](O)[C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001571194621 952965596 /nfs/dbraw/zinc/96/55/96/952965596.db2.gz PAHTXJKJBNRAAG-XXFAHNHDSA-N -1 1 382.384 1.080 20 30 GDEDMM COc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cc1C#N ZINC001571220176 953129580 /nfs/dbraw/zinc/12/95/80/953129580.db2.gz YICHIXCRZUAUHD-UHFFFAOYSA-N -1 1 383.393 1.822 20 30 GDEDMM CCc1nc(NCC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001571232332 953186667 /nfs/dbraw/zinc/18/66/67/953186667.db2.gz DVJBPNHCDRTFSV-STQMWFEESA-N -1 1 383.460 1.562 20 30 GDEDMM CCc1nc(NCC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001571232332 953186669 /nfs/dbraw/zinc/18/66/69/953186669.db2.gz DVJBPNHCDRTFSV-STQMWFEESA-N -1 1 383.460 1.562 20 30 GDEDMM C#CCN(CC(=O)[O-])C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001588417554 958176067 /nfs/dbraw/zinc/17/60/67/958176067.db2.gz VOIVIBSIZWOZQK-LBPRGKRZSA-N -1 1 376.413 1.294 20 30 GDEDMM C[C@](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)(C(=O)[O-])C1CC1 ZINC001593232119 994381853 /nfs/dbraw/zinc/38/18/53/994381853.db2.gz UCOFGVUSMFYPRL-RDTXWAMCSA-N -1 1 376.482 1.300 20 30 GDEDMM COC(=O)c1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1C(=O)[O-] ZINC001598950290 998137296 /nfs/dbraw/zinc/13/72/96/998137296.db2.gz RSTNMBTUFVBQDX-UHFFFAOYSA-N -1 1 375.362 1.547 20 30 GDEDMM CNS(=O)(=O)c1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1OC ZINC000029389535 530595098 /nfs/dbraw/zinc/59/50/98/530595098.db2.gz IAMASHUVRJPSJI-UHFFFAOYSA-N -1 1 379.320 1.377 20 30 GDEDMM C=CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000349534067 531302892 /nfs/dbraw/zinc/30/28/92/531302892.db2.gz SFSRECAFNNTGGF-UHFFFAOYSA-N -1 1 387.527 1.540 20 30 GDEDMM CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1S(N)(=O)=O ZINC000475789556 531303524 /nfs/dbraw/zinc/30/35/24/531303524.db2.gz SINULMBXDCQRBL-UHFFFAOYSA-N -1 1 379.463 1.763 20 30 GDEDMM N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CCCC2)n1 ZINC000349573786 531348719 /nfs/dbraw/zinc/34/87/19/531348719.db2.gz YBLKPUARLFRUIV-UHFFFAOYSA-N -1 1 386.499 1.195 20 30 GDEDMM C[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1 ZINC000349594645 531370554 /nfs/dbraw/zinc/37/05/54/531370554.db2.gz VVNMFTUBMBLYIB-CYBMUJFWSA-N -1 1 386.499 1.147 20 30 GDEDMM CC[C@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000349611148 531399819 /nfs/dbraw/zinc/39/98/19/531399819.db2.gz SBUZBVXKULXBFC-AWEZNQCLSA-N -1 1 386.499 1.289 20 30 GDEDMM CC#CC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C(=O)[O-] ZINC000543786311 531482571 /nfs/dbraw/zinc/48/25/71/531482571.db2.gz QHUDYCGXDTVEIX-SNVBAGLBSA-N -1 1 382.182 1.872 20 30 GDEDMM CCC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nn[n-]n1 ZINC000450118384 531486243 /nfs/dbraw/zinc/48/62/43/531486243.db2.gz ALPTYIZCEYABRK-LBPRGKRZSA-N -1 1 379.218 1.870 20 30 GDEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ncn(C)n1 ZINC000295098859 531521676 /nfs/dbraw/zinc/52/16/76/531521676.db2.gz GUBMJDXYDCYBDM-ZETCQYMHSA-N -1 1 388.222 1.628 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(=O)NC2)cc1Br ZINC000451205277 531564454 /nfs/dbraw/zinc/56/44/54/531564454.db2.gz BGJPWWWHMWHOFG-MRVPVSSYSA-N -1 1 376.207 1.017 20 30 GDEDMM COC[C@](C)(O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451646488 531655637 /nfs/dbraw/zinc/65/56/37/531655637.db2.gz FPZUSTJHBQBISU-CYBMUJFWSA-N -1 1 395.250 1.526 20 30 GDEDMM CCCNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289120050 532316114 /nfs/dbraw/zinc/31/61/14/532316114.db2.gz KNIANGXQVZDYME-UHFFFAOYSA-N -1 1 378.223 1.264 20 30 GDEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC000737502835 599132877 /nfs/dbraw/zinc/13/28/77/599132877.db2.gz BYZZDOYVDSYYAW-UHFFFAOYSA-N -1 1 386.375 1.985 20 30 GDEDMM CCCNC(=O)Nc1ccc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000736487402 598285041 /nfs/dbraw/zinc/28/50/41/598285041.db2.gz GBZRLSUYBPJXOJ-UHFFFAOYSA-N -1 1 394.399 1.174 20 30 GDEDMM CN(CCCNC(=S)NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000821600693 599338827 /nfs/dbraw/zinc/33/88/27/599338827.db2.gz YYWZTWCSBGXEKQ-UHFFFAOYSA-N -1 1 384.469 1.784 20 30 GDEDMM CN(CCCNC(=S)NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000821600693 599338831 /nfs/dbraw/zinc/33/88/31/599338831.db2.gz YYWZTWCSBGXEKQ-UHFFFAOYSA-N -1 1 384.469 1.784 20 30 GDEDMM C#CCN(CC#CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819697316 599362405 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C#Cc1ccc(C(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001573287539 946841058 /nfs/dbraw/zinc/84/10/58/946841058.db2.gz DABUICJUVURZOL-UHFFFAOYSA-N -1 1 389.423 1.140 20 30 GDEDMM C#Cc1ccc(C(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001573287539 946841079 /nfs/dbraw/zinc/84/10/79/946841079.db2.gz DABUICJUVURZOL-UHFFFAOYSA-N -1 1 389.423 1.140 20 30 GDEDMM C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573288900 946879615 /nfs/dbraw/zinc/87/96/15/946879615.db2.gz VFBGQPXUVZFKGE-MRXNPFEDSA-N -1 1 388.435 1.379 20 30 GDEDMM C#Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573288900 946879630 /nfs/dbraw/zinc/87/96/30/946879630.db2.gz VFBGQPXUVZFKGE-MRXNPFEDSA-N -1 1 388.435 1.379 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H](CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565522 947009533 /nfs/dbraw/zinc/00/95/33/947009533.db2.gz RPGUKLAWWSOPEM-BDAKNGLRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573565719 947014627 /nfs/dbraw/zinc/01/46/27/947014627.db2.gz UXRICCDUBVHVCX-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565719 947014639 /nfs/dbraw/zinc/01/46/39/947014639.db2.gz UXRICCDUBVHVCX-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C=C1CC(C)(C(=O)NCCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001573296313 947043740 /nfs/dbraw/zinc/04/37/40/947043740.db2.gz MYCRQMYTUAWXCE-UHFFFAOYSA-N -1 1 382.472 1.797 20 30 GDEDMM C=C1CC(C)(C(=O)NCCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573296313 947043746 /nfs/dbraw/zinc/04/37/46/947043746.db2.gz MYCRQMYTUAWXCE-UHFFFAOYSA-N -1 1 382.472 1.797 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573567392 947044255 /nfs/dbraw/zinc/04/42/55/947044255.db2.gz MRSZEYLHGLDLAQ-BBBLOLIVSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573567392 947044266 /nfs/dbraw/zinc/04/42/66/947044266.db2.gz MRSZEYLHGLDLAQ-BBBLOLIVSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@](C)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573570038 947081601 /nfs/dbraw/zinc/08/16/01/947081601.db2.gz ISNXZYCLKAVNQU-JKYUHCHBSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001573571745 947101733 /nfs/dbraw/zinc/10/17/33/947101733.db2.gz ALGDYPHOINQGGX-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001573571745 947101740 /nfs/dbraw/zinc/10/17/40/947101740.db2.gz ALGDYPHOINQGGX-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C[C@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573301288 947135548 /nfs/dbraw/zinc/13/55/48/947135548.db2.gz WOYJSGKKUATZGG-BCLQGDPASA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573301288 947135555 /nfs/dbraw/zinc/13/55/55/947135555.db2.gz WOYJSGKKUATZGG-BCLQGDPASA-N -1 1 390.451 1.933 20 30 GDEDMM C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573304585 947138550 /nfs/dbraw/zinc/13/85/50/947138550.db2.gz CJXISXWWVWEQCN-OKILXGFUSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573304585 947138555 /nfs/dbraw/zinc/13/85/55/947138555.db2.gz CJXISXWWVWEQCN-OKILXGFUSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573304871 947145730 /nfs/dbraw/zinc/14/57/30/947145730.db2.gz IOLOHEKYOJHERV-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573304871 947145737 /nfs/dbraw/zinc/14/57/37/947145737.db2.gz IOLOHEKYOJHERV-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573307053 947176798 /nfs/dbraw/zinc/17/67/98/947176798.db2.gz OHJCBQOGGDTUDZ-RBUKOAKNSA-N -1 1 384.488 1.982 20 30 GDEDMM C[C@@H](C#N)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CCCCCC1 ZINC001573583080 947198605 /nfs/dbraw/zinc/19/86/05/947198605.db2.gz IRYVXKZWKJLIFV-ZDUSSCGKSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@@H](C#N)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CCCCCC1 ZINC001573583080 947198613 /nfs/dbraw/zinc/19/86/13/947198613.db2.gz IRYVXKZWKJLIFV-ZDUSSCGKSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@H](C#N)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CCCCCC1 ZINC001573583101 947199780 /nfs/dbraw/zinc/19/97/80/947199780.db2.gz JLGUZRXETOODCP-CYBMUJFWSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@H](C#N)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CCCCCC1 ZINC001573583101 947199787 /nfs/dbraw/zinc/19/97/87/947199787.db2.gz JLGUZRXETOODCP-CYBMUJFWSA-N -1 1 383.460 1.462 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573309460 947200003 /nfs/dbraw/zinc/20/00/03/947200003.db2.gz JDRBXMRTIUEUMB-ZDUSSCGKSA-N -1 1 383.865 1.364 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573309460 947200015 /nfs/dbraw/zinc/20/00/15/947200015.db2.gz JDRBXMRTIUEUMB-ZDUSSCGKSA-N -1 1 383.865 1.364 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573583878 947212015 /nfs/dbraw/zinc/21/20/15/947212015.db2.gz PYHXUAIWGMMGPJ-DTWKUNHWSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573314337 947230122 /nfs/dbraw/zinc/23/01/22/947230122.db2.gz BBEAHPDRVYNSMU-AWEZNQCLSA-N -1 1 382.472 1.902 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573314337 947230134 /nfs/dbraw/zinc/23/01/34/947230134.db2.gz BBEAHPDRVYNSMU-AWEZNQCLSA-N -1 1 382.472 1.902 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001573585303 947252607 /nfs/dbraw/zinc/25/26/07/947252607.db2.gz NPKGKLHOUGWHHP-LERXQTSPSA-N -1 1 375.396 1.010 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001573585303 947252617 /nfs/dbraw/zinc/25/26/17/947252617.db2.gz NPKGKLHOUGWHHP-LERXQTSPSA-N -1 1 375.396 1.010 20 30 GDEDMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585734 947266662 /nfs/dbraw/zinc/26/66/62/947266662.db2.gz VQRIYFBCEQGUMA-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585734 947266671 /nfs/dbraw/zinc/26/66/71/947266671.db2.gz VQRIYFBCEQGUMA-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C=C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573316969 947288407 /nfs/dbraw/zinc/28/84/07/947288407.db2.gz KANQBWRUJQKMDZ-GJZGRUSLSA-N -1 1 392.467 1.697 20 30 GDEDMM C=C[C@H](CC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573317761 947300353 /nfs/dbraw/zinc/30/03/53/947300353.db2.gz PGWPDCUGUWLADC-ZIAGYGMSSA-N -1 1 378.440 1.933 20 30 GDEDMM C=C[C@H](CC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573317761 947300362 /nfs/dbraw/zinc/30/03/62/947300362.db2.gz PGWPDCUGUWLADC-ZIAGYGMSSA-N -1 1 378.440 1.933 20 30 GDEDMM C=CC[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318352 947306754 /nfs/dbraw/zinc/30/67/54/947306754.db2.gz AUVOKXPWKMVOEV-UKRRQHHQSA-N -1 1 378.440 1.355 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573318872 947315095 /nfs/dbraw/zinc/31/50/95/947315095.db2.gz GKPDVOBZMHFYAT-UHFFFAOYSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573318872 947315111 /nfs/dbraw/zinc/31/51/11/947315111.db2.gz GKPDVOBZMHFYAT-UHFFFAOYSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC(CC=C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573326550 947374544 /nfs/dbraw/zinc/37/45/44/947374544.db2.gz QJZJDJLZIYWXRU-CZUORRHYSA-N -1 1 396.499 1.922 20 30 GDEDMM C=CCC(CC=C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573326550 947374553 /nfs/dbraw/zinc/37/45/53/947374553.db2.gz QJZJDJLZIYWXRU-CZUORRHYSA-N -1 1 396.499 1.922 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@H](O)CNc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573326620 947378415 /nfs/dbraw/zinc/37/84/15/947378415.db2.gz RTSLEUBJHSQZMP-GFCCVEGCSA-N -1 1 391.501 1.609 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573326784 947378537 /nfs/dbraw/zinc/37/85/37/947378537.db2.gz VGXRZEXBCCIDAY-CYBMUJFWSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573326784 947378548 /nfs/dbraw/zinc/37/85/48/947378548.db2.gz VGXRZEXBCCIDAY-CYBMUJFWSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573326978 947384157 /nfs/dbraw/zinc/38/41/57/947384157.db2.gz ZKLUHBSOKRZWOL-ZDUSSCGKSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573326978 947384165 /nfs/dbraw/zinc/38/41/65/947384165.db2.gz ZKLUHBSOKRZWOL-ZDUSSCGKSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573336623 947509243 /nfs/dbraw/zinc/50/92/43/947509243.db2.gz PSMXFKUOIZQZDI-CHWSQXEVSA-N -1 1 391.501 1.698 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573336727 947509669 /nfs/dbraw/zinc/50/96/69/947509669.db2.gz QNSZSZWDODZYEL-OCCSQVGLSA-N -1 1 386.460 1.287 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573336727 947509672 /nfs/dbraw/zinc/50/96/72/947509672.db2.gz QNSZSZWDODZYEL-OCCSQVGLSA-N -1 1 386.460 1.287 20 30 GDEDMM C=CCCOCC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573337148 947513944 /nfs/dbraw/zinc/51/39/44/947513944.db2.gz VFIPBJFMQNZKOX-CQSZACIVSA-N -1 1 386.460 1.067 20 30 GDEDMM C=CCCOCC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573337148 947513949 /nfs/dbraw/zinc/51/39/49/947513949.db2.gz VFIPBJFMQNZKOX-CQSZACIVSA-N -1 1 386.460 1.067 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001573348586 947586480 /nfs/dbraw/zinc/58/64/80/947586480.db2.gz SCURRLHFAIVRSK-UONOGXRCSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001573348586 947586485 /nfs/dbraw/zinc/58/64/85/947586485.db2.gz SCURRLHFAIVRSK-UONOGXRCSA-N -1 1 386.460 1.431 20 30 GDEDMM CC#CCCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573359121 947678826 /nfs/dbraw/zinc/67/88/26/947678826.db2.gz VRFVCETYRPIYLJ-GJZGRUSLSA-N -1 1 380.456 1.690 20 30 GDEDMM CC#CCCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573359121 947678831 /nfs/dbraw/zinc/67/88/31/947678831.db2.gz VRFVCETYRPIYLJ-GJZGRUSLSA-N -1 1 380.456 1.690 20 30 GDEDMM Cc1onc(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826346081 948035608 /nfs/dbraw/zinc/03/56/08/948035608.db2.gz BWHSKFMAAGJRLP-UHFFFAOYSA-N -1 1 390.325 1.892 20 30 GDEDMM Cc1onc(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826346081 948035618 /nfs/dbraw/zinc/03/56/18/948035618.db2.gz BWHSKFMAAGJRLP-UHFFFAOYSA-N -1 1 390.325 1.892 20 30 GDEDMM COc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C(=O)[O-] ZINC000368623088 971551818 /nfs/dbraw/zinc/55/18/18/971551818.db2.gz HUHOYBUYCXMLID-UHFFFAOYSA-N -1 1 399.388 1.647 20 30 GDEDMM C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191867 950212330 /nfs/dbraw/zinc/21/23/30/950212330.db2.gz KOTJCRIGXCNIMF-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191867 950212346 /nfs/dbraw/zinc/21/23/46/950212346.db2.gz KOTJCRIGXCNIMF-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1(C)C ZINC001573853956 950332345 /nfs/dbraw/zinc/33/23/45/950332345.db2.gz VGLNQZMLFNCXSU-NSHDSACASA-N -1 1 385.432 1.728 20 30 GDEDMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)C#CC1CC1 ZINC001575936833 950925745 /nfs/dbraw/zinc/92/57/45/950925745.db2.gz IORFJIAEVIAZJG-WPRPVWTQSA-N -1 1 377.861 1.791 20 30 GDEDMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)C#CC1CC1 ZINC001575936833 950925760 /nfs/dbraw/zinc/92/57/60/950925760.db2.gz IORFJIAEVIAZJG-WPRPVWTQSA-N -1 1 377.861 1.791 20 30 GDEDMM 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C=CCNC(=O)[C@@H](C)S(=O)(=O)c1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000285030235 532021860 /nfs/dbraw/zinc/02/18/60/532021860.db2.gz FVMNREACYSKIIF-SNVBAGLBSA-N -1 1 384.845 1.502 20 30 GDEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccn(CCC#N)n1 ZINC000737200994 599259641 /nfs/dbraw/zinc/25/96/41/599259641.db2.gz PEXXSYSAXFQMOI-UHFFFAOYSA-N -1 1 381.400 1.266 20 30 GDEDMM C=C(C)COc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000735401993 598475808 /nfs/dbraw/zinc/47/58/08/598475808.db2.gz CYNJCZWUVKSOGS-UHFFFAOYSA-N -1 1 397.443 1.881 20 30 GDEDMM C=C(C)COc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000735401993 598475810 /nfs/dbraw/zinc/47/58/10/598475810.db2.gz CYNJCZWUVKSOGS-UHFFFAOYSA-N -1 1 397.443 1.881 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(C#N)cn1 ZINC000737488857 598805111 /nfs/dbraw/zinc/80/51/11/598805111.db2.gz YSNROQOOGNMZQH-UHFFFAOYSA-N -1 1 388.395 1.364 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(C#N)cn1 ZINC000737488857 598805112 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GDEDMM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819921812 599336946 /nfs/dbraw/zinc/33/69/46/599336946.db2.gz AUMVMHLFPPEXNX-UHFFFAOYSA-N -1 1 389.441 1.983 20 30 GDEDMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736652391 600616433 /nfs/dbraw/zinc/61/64/33/600616433.db2.gz GWMSEOQODUMFOQ-DIFFPNOSSA-N -1 1 392.371 1.922 20 30 GDEDMM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824641354 607586423 /nfs/dbraw/zinc/58/64/23/607586423.db2.gz UYFOFKBQQDXPHO-JTQLQIEISA-N -1 1 399.392 1.686 20 30 GDEDMM C=C(C)COCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823878441 607672892 /nfs/dbraw/zinc/67/28/92/607672892.db2.gz ZFUDOTPBQIGWDF-UHFFFAOYSA-N -1 1 391.375 1.757 20 30 GDEDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000833742167 605634742 /nfs/dbraw/zinc/63/47/42/605634742.db2.gz GUKKZVDAAKXAET-OAHLLOKOSA-N -1 1 381.436 1.673 20 30 GDEDMM O=S(=O)(NC1CC1)c1ccc(N=NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC000823567636 606371226 /nfs/dbraw/zinc/37/12/26/606371226.db2.gz UROXHBITPIGMAR-UHFFFAOYSA-N -1 1 390.454 1.210 20 30 GDEDMM CNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821637609 606388889 /nfs/dbraw/zinc/38/88/89/606388889.db2.gz MWFWHDSGJKFKQT-XBXARRHUSA-N -1 1 375.435 1.732 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000820803525 606808648 /nfs/dbraw/zinc/80/86/48/606808648.db2.gz BNNZTOBJFZMGTE-SNVBAGLBSA-N -1 1 382.819 1.292 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000820803525 606808649 /nfs/dbraw/zinc/80/86/49/606808649.db2.gz BNNZTOBJFZMGTE-SNVBAGLBSA-N -1 1 382.819 1.292 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2cccc(COC3CCOCC3)c2)nc1-c1nn[nH]n1 ZINC000822815365 607145800 /nfs/dbraw/zinc/14/58/00/607145800.db2.gz PUQHWIDUICVTGZ-UHFFFAOYSA-N -1 1 394.395 1.409 20 30 GDEDMM COc1ccc(-c2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)n[nH]2)cc1 ZINC000821728618 607145913 /nfs/dbraw/zinc/14/59/13/607145913.db2.gz XNBDEFKQPIKWHR-UHFFFAOYSA-N -1 1 376.340 1.112 20 30 GDEDMM N#Cc1[n-]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc1-c1nn[nH]n1 ZINC000826382622 608011755 /nfs/dbraw/zinc/01/17/55/608011755.db2.gz NJOUGFLKZUJLHH-UHFFFAOYSA-N -1 1 378.312 1.032 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2csc(Cc3cccc(F)c3)n2)nc1-c1nn[nH]n1 ZINC000826382527 609147365 /nfs/dbraw/zinc/14/73/65/609147365.db2.gz IGFKWELYKPUYNR-UHFFFAOYSA-N -1 1 395.383 1.900 20 30 GDEDMM Cc1onc(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826343871 609468834 /nfs/dbraw/zinc/46/88/34/609468834.db2.gz PFNCITWOZSSIDN-UHFFFAOYSA-N -1 1 375.392 1.893 20 30 GDEDMM Cc1onc(CC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC000826343871 609468836 /nfs/dbraw/zinc/46/88/36/609468836.db2.gz PFNCITWOZSSIDN-UHFFFAOYSA-N -1 1 375.392 1.893 20 30 GDEDMM Cc1oc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826342225 609632763 /nfs/dbraw/zinc/63/27/63/609632763.db2.gz BLNLSIDJJNCINY-OAHLLOKOSA-N -1 1 396.363 1.164 20 30 GDEDMM CCC[C@H](C#N)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000536414507 650270601 /nfs/dbraw/zinc/27/06/01/650270601.db2.gz OAVWASPMXOBIGH-CYBMUJFWSA-N -1 1 389.499 1.817 20 30 GDEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncc(Cl)c(C)c1C#N ZINC000438890214 646225827 /nfs/dbraw/zinc/22/58/27/646225827.db2.gz LDWRUQLCIIBZOY-UHFFFAOYSA-N -1 1 387.874 1.776 20 30 GDEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc(C#N)c1C ZINC000513631797 648437550 /nfs/dbraw/zinc/43/75/50/648437550.db2.gz HVBYWYYDCZNAIW-UHFFFAOYSA-N -1 1 380.451 1.046 20 30 GDEDMM COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000593634781 652227990 /nfs/dbraw/zinc/22/79/90/652227990.db2.gz ODJGVBLXGCTTKB-JTQLQIEISA-N -1 1 397.197 1.639 20 30 GDEDMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000594476314 652303506 /nfs/dbraw/zinc/30/35/06/652303506.db2.gz LHADZVKKWSREBL-UHFFFAOYSA-N -1 1 399.274 1.541 20 30 GDEDMM CC[C@@H](CC#N)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000594530449 652310290 /nfs/dbraw/zinc/31/02/90/652310290.db2.gz SALZCAXZGNHSRI-NSHDSACASA-N -1 1 383.455 1.181 20 30 GDEDMM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000594635406 652338414 /nfs/dbraw/zinc/33/84/14/652338414.db2.gz WBLIGWRRFGGGCF-ZDUSSCGKSA-N -1 1 393.437 1.297 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C#N)CCCCC2)c(F)c1 ZINC000594869608 652383264 /nfs/dbraw/zinc/38/32/64/652383264.db2.gz NZQYZDSWKKRZBF-UHFFFAOYSA-N -1 1 389.474 1.950 20 30 GDEDMM O=C(CCNC(=O)C1N=CC=CC1=O)Nc1nc(Br)ccc1[O-] ZINC000790042365 655039426 /nfs/dbraw/zinc/03/94/26/655039426.db2.gz HXVFDCLFHWKZCZ-OWBHPGMISA-N -1 1 381.186 1.405 20 30 GDEDMM O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(Cl)ccc1[O-] ZINC000790055043 655040207 /nfs/dbraw/zinc/04/02/07/655040207.db2.gz BDACOSWAFSCBNS-UHFFFAOYSA-N -1 1 380.813 1.508 20 30 GDEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795911543 655195513 /nfs/dbraw/zinc/19/55/13/655195513.db2.gz LIYRKAZQEXHPER-QMMMGPOBSA-N -1 1 397.222 1.959 20 30 GDEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)[C@@H]1CCCO1 ZINC000795931144 655196526 /nfs/dbraw/zinc/19/65/26/655196526.db2.gz JWHSQBWWGFXRIQ-OLZOCXBDSA-N -1 1 375.805 1.725 20 30 GDEDMM Cn1c(Cl)nc(Cl)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814864400 655275449 /nfs/dbraw/zinc/27/54/49/655275449.db2.gz CFWATHLFUCYQNO-UHFFFAOYSA-N -1 1 378.197 1.948 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)OC ZINC000841540228 655341549 /nfs/dbraw/zinc/34/15/49/655341549.db2.gz KBQMBNRFGKOGIY-SNVBAGLBSA-N -1 1 382.182 1.571 20 30 GDEDMM C=CCn1cc(C[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)nn1 ZINC000819893374 655398263 /nfs/dbraw/zinc/39/82/63/655398263.db2.gz VUGLJZKCWQEBNG-UHFFFAOYSA-N -1 1 390.874 1.753 20 30 GDEDMM N#Cc1ncn(Cc2nc(-c3cccc(Br)c3)no2)c1-c1nn[n-]n1 ZINC000826388081 655497616 /nfs/dbraw/zinc/49/76/16/655497616.db2.gz HVYJMCXJVWCWMK-UHFFFAOYSA-N -1 1 398.184 1.796 20 30 GDEDMM C#CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(CCC)n[nH]2)cc1 ZINC000848942899 655503341 /nfs/dbraw/zinc/50/33/41/655503341.db2.gz DDWCQSNSIDGRDE-UHFFFAOYSA-N -1 1 382.467 1.075 20 30 GDEDMM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C)C(C)(C)C ZINC000848962494 655510172 /nfs/dbraw/zinc/51/01/72/655510172.db2.gz ZQVDMGOJDIRTHN-CYBMUJFWSA-N -1 1 390.531 1.126 20 30 GDEDMM C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000848967234 655513882 /nfs/dbraw/zinc/51/38/82/655513882.db2.gz TYCAKCFSAKBDKG-UHFFFAOYSA-N -1 1 388.515 1.142 20 30 GDEDMM C=C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000851855301 655600041 /nfs/dbraw/zinc/60/00/41/655600041.db2.gz IOVWWIDSNLNHGU-SSDOTTSWSA-N -1 1 382.207 1.200 20 30 GDEDMM C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000903629907 659364598 /nfs/dbraw/zinc/36/45/98/659364598.db2.gz CKEKUPAZPANWAS-NSHDSACASA-N -1 1 377.388 1.830 20 30 GDEDMM C#CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000903640613 659366467 /nfs/dbraw/zinc/36/64/67/659366467.db2.gz PNWMNDVDHUGKTI-UHFFFAOYSA-N -1 1 377.463 1.026 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907160988 659685620 /nfs/dbraw/zinc/68/56/20/659685620.db2.gz WZBAYHSQQFMRCL-GFCCVEGCSA-N -1 1 376.400 1.940 20 30 GDEDMM CC(C)(C)OC(=O)NCC[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001571260124 945407589 /nfs/dbraw/zinc/40/75/89/945407589.db2.gz WDYGVEGNIYLURD-NSHDSACASA-N -1 1 385.432 1.269 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)c[nH]1 ZINC001571295159 946154841 /nfs/dbraw/zinc/15/48/41/946154841.db2.gz VBHVMSLHPFEPIS-OCAPTIKFSA-N -1 1 389.832 1.549 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)c[nH]1 ZINC001571295159 946154851 /nfs/dbraw/zinc/15/48/51/946154851.db2.gz VBHVMSLHPFEPIS-OCAPTIKFSA-N -1 1 389.832 1.549 20 30 GDEDMM O=C(C#Cc1ccccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822912230 946217481 /nfs/dbraw/zinc/21/74/81/946217481.db2.gz RUEWWXGOEGUSFC-UHFFFAOYSA-N -1 1 389.419 1.432 20 30 GDEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571312483 946493310 /nfs/dbraw/zinc/49/33/10/946493310.db2.gz FLNNJIIXKDGMEH-UHFFFAOYSA-N -1 1 392.427 1.352 20 30 GDEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571312483 946493318 /nfs/dbraw/zinc/49/33/18/946493318.db2.gz FLNNJIIXKDGMEH-UHFFFAOYSA-N -1 1 392.427 1.352 20 30 GDEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571312932 946506472 /nfs/dbraw/zinc/50/64/72/946506472.db2.gz MGDKXRBJLBCHOA-NSHDSACASA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571312932 946506479 /nfs/dbraw/zinc/50/64/79/946506479.db2.gz MGDKXRBJLBCHOA-NSHDSACASA-N -1 1 392.427 1.209 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571313108 946513405 /nfs/dbraw/zinc/51/34/05/946513405.db2.gz NXGDVZQXEGGARI-WCQYABFASA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571313108 946513407 /nfs/dbraw/zinc/51/34/07/946513407.db2.gz NXGDVZQXEGGARI-WCQYABFASA-N -1 1 392.427 1.257 20 30 GDEDMM C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573281168 946672878 /nfs/dbraw/zinc/67/28/78/946672878.db2.gz VQOJSTFLOXNSHV-ZDUSSCGKSA-N -1 1 389.423 1.543 20 30 GDEDMM C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573281168 946672883 /nfs/dbraw/zinc/67/28/83/946672883.db2.gz VQOJSTFLOXNSHV-ZDUSSCGKSA-N -1 1 389.423 1.543 20 30 GDEDMM C#CCCCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573282151 946686266 /nfs/dbraw/zinc/68/62/66/946686266.db2.gz GOQYKOKLRRGHPF-HUUCEWRRSA-N -1 1 382.472 1.429 20 30 GDEDMM C#CCCCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573282151 946686271 /nfs/dbraw/zinc/68/62/71/946686271.db2.gz GOQYKOKLRRGHPF-HUUCEWRRSA-N -1 1 382.472 1.429 20 30 GDEDMM C#CCCCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573283693 946722859 /nfs/dbraw/zinc/72/28/59/946722859.db2.gz XAHDEIKCSPZWBX-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573283693 946722865 /nfs/dbraw/zinc/72/28/65/946722865.db2.gz XAHDEIKCSPZWBX-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573283905 946729703 /nfs/dbraw/zinc/72/97/03/946729703.db2.gz NREGBHHWHKLVPC-CABCVRRESA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573283905 946729711 /nfs/dbraw/zinc/72/97/11/946729711.db2.gz NREGBHHWHKLVPC-CABCVRRESA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCC1(C(=O)NCCN(CC)c2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573284365 946745102 /nfs/dbraw/zinc/74/51/02/946745102.db2.gz AERUUDOKMGBRRZ-UHFFFAOYSA-N -1 1 382.472 1.573 20 30 GDEDMM C#CCC1(C(=O)NCCN(CC)c2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573284365 946745110 /nfs/dbraw/zinc/74/51/10/946745110.db2.gz AERUUDOKMGBRRZ-UHFFFAOYSA-N -1 1 382.472 1.573 20 30 GDEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285869 946790397 /nfs/dbraw/zinc/79/03/97/946790397.db2.gz PTISWLXVSHRHIS-OLZOCXBDSA-N -1 1 389.485 1.097 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)nc1 ZINC001573287258 946832815 /nfs/dbraw/zinc/83/28/15/946832815.db2.gz GXDJBYAOUDAEDH-GXTWGEPZSA-N -1 1 389.423 1.138 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)nc1 ZINC001573287258 946832826 /nfs/dbraw/zinc/83/28/26/946832826.db2.gz GXDJBYAOUDAEDH-GXTWGEPZSA-N -1 1 389.423 1.138 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C(C)C)cc1 ZINC001573288140 946858189 /nfs/dbraw/zinc/85/81/89/946858189.db2.gz OOERBQRVGKIRGW-UHFFFAOYSA-N -1 1 390.451 1.673 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C(C)C)cc1 ZINC001573288140 946858201 /nfs/dbraw/zinc/85/82/01/946858201.db2.gz OOERBQRVGKIRGW-UHFFFAOYSA-N -1 1 390.451 1.673 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573293324 946953832 /nfs/dbraw/zinc/95/38/32/946953832.db2.gz SMAKFNCDZZXGDU-QGZVFWFLSA-N -1 1 391.501 1.291 20 30 GDEDMM C[C@@H](C#N)C(=O)N(CCNc1cncc(-c2nnn[n-]2)n1)CCc1ccccc1 ZINC001573562273 946971964 /nfs/dbraw/zinc/97/19/64/946971964.db2.gz RQPXIKFNJYPCHB-AWEZNQCLSA-N -1 1 391.439 1.300 20 30 GDEDMM C[C@@H](C#N)C(=O)N(CCNc1cncc(-c2nn[n-]n2)n1)CCc1ccccc1 ZINC001573562273 946971970 /nfs/dbraw/zinc/97/19/70/946971970.db2.gz RQPXIKFNJYPCHB-AWEZNQCLSA-N -1 1 391.439 1.300 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573565206 947001370 /nfs/dbraw/zinc/00/13/70/947001370.db2.gz OUJWLJWHMAVPTH-HLTSFMKQSA-N -1 1 378.849 1.316 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573565206 947001380 /nfs/dbraw/zinc/00/13/80/947001380.db2.gz OUJWLJWHMAVPTH-HLTSFMKQSA-N -1 1 378.849 1.316 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@](C)(CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565219 947005813 /nfs/dbraw/zinc/00/58/13/947005813.db2.gz OYPNTTXXGZREEU-XLKFXECMSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573568029 947063352 /nfs/dbraw/zinc/06/33/52/947063352.db2.gz WNTPGXQKFXZIFE-DTWKUNHWSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573568029 947063359 /nfs/dbraw/zinc/06/33/59/947063359.db2.gz WNTPGXQKFXZIFE-DTWKUNHWSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@](C)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573570041 947080531 /nfs/dbraw/zinc/08/05/31/947080531.db2.gz ISNXZYCLKAVNQU-WJWGPLDTSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@]2(C)C1 ZINC001573570149 947084969 /nfs/dbraw/zinc/08/49/69/947084969.db2.gz LFHDWVVVRYXWFO-KOSWAMCASA-N -1 1 392.876 1.421 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573305730 947160775 /nfs/dbraw/zinc/16/07/75/947160775.db2.gz UKBMQQZVMDPDSJ-KGLIPLIRSA-N -1 1 382.472 1.829 20 30 GDEDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825435241 947190546 /nfs/dbraw/zinc/19/05/46/947190546.db2.gz QZVQETFKZXSSOE-UHFFFAOYSA-N -1 1 396.411 1.001 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584231 947217371 /nfs/dbraw/zinc/21/73/71/947217371.db2.gz RRFXWDOSCQNGPH-BLLLJJGKSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584231 947217393 /nfs/dbraw/zinc/21/73/93/947217393.db2.gz RRFXWDOSCQNGPH-BLLLJJGKSA-N -1 1 389.423 1.036 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573310633 947226826 /nfs/dbraw/zinc/22/68/26/947226826.db2.gz YQNIJKISPWPORD-BFUOFWGJSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573310633 947226837 /nfs/dbraw/zinc/22/68/37/947226837.db2.gz YQNIJKISPWPORD-BFUOFWGJSA-N -1 1 384.488 1.980 20 30 GDEDMM 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Cc1[nH]nc(C(=O)OCCc2c(C(=O)[O-])[nH]n(-c3ccc(C#N)cc3)c2=O)c1C ZINC000738248344 600203204 /nfs/dbraw/zinc/20/32/04/600203204.db2.gz BEVOJUBEIGRMLW-UHFFFAOYSA-N -1 1 395.375 1.475 20 30 GDEDMM Cc1cc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n2ncnc2n1 ZINC000832891570 601310381 /nfs/dbraw/zinc/31/03/81/601310381.db2.gz ZGBQIMRVRAKDHS-KRWDZBQOSA-N -1 1 377.408 1.252 20 30 GDEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833068007 602113436 /nfs/dbraw/zinc/11/34/36/602113436.db2.gz LBEIXCBEWLRBMF-UHFFFAOYSA-N -1 1 377.334 1.731 20 30 GDEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833960483 606012996 /nfs/dbraw/zinc/01/29/96/606012996.db2.gz JIGSZEQYJWZUQW-JTQLQIEISA-N -1 1 383.320 1.299 20 30 GDEDMM N#Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000822823185 606524699 /nfs/dbraw/zinc/52/46/99/606524699.db2.gz MLVCRPXAOLTUQW-UHFFFAOYSA-N -1 1 396.436 1.628 20 30 GDEDMM CC1CC(C#N)(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820642307 606902002 /nfs/dbraw/zinc/90/20/02/606902002.db2.gz HVOMANNHLOPDMY-UHFFFAOYSA-N -1 1 382.428 1.321 20 30 GDEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCCN2C(=O)c3ccccc3C2=O)o1 ZINC000824142005 607887424 /nfs/dbraw/zinc/88/74/24/607887424.db2.gz QUGXOTOYIHOTBO-UHFFFAOYSA-N -1 1 394.395 1.846 20 30 GDEDMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000824114380 608199204 /nfs/dbraw/zinc/19/92/04/608199204.db2.gz QTTABKJOPJQDBX-UHFFFAOYSA-N -1 1 380.368 1.669 20 30 GDEDMM C[C@@H](C#N)CN(C)c1cc(N(C)C[C@H](C)C#N)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824033817 608367223 /nfs/dbraw/zinc/36/72/23/608367223.db2.gz BRSDXSUBCUDQNZ-NEPJUHHUSA-N -1 1 383.416 1.967 20 30 GDEDMM C[C@@H](C#N)CN(C)c1cc(N(C)C[C@H](C)C#N)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824033817 608367224 /nfs/dbraw/zinc/36/72/24/608367224.db2.gz BRSDXSUBCUDQNZ-NEPJUHHUSA-N -1 1 383.416 1.967 20 30 GDEDMM C[C@@H](C#N)CN(C)c1cc(-c2nnn[n-]2)c([N+](=O)[O-])c(N(C)C[C@@H](C)C#N)c1 ZINC000824033819 608367417 /nfs/dbraw/zinc/36/74/17/608367417.db2.gz BRSDXSUBCUDQNZ-RYUDHWBXSA-N -1 1 383.416 1.967 20 30 GDEDMM C[C@@H](C#N)CN(C)c1cc(-c2nn[n-]n2)c([N+](=O)[O-])c(N(C)C[C@@H](C)C#N)c1 ZINC000824033819 608367419 /nfs/dbraw/zinc/36/74/19/608367419.db2.gz BRSDXSUBCUDQNZ-RYUDHWBXSA-N -1 1 383.416 1.967 20 30 GDEDMM N#Cc1ccc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nn1 ZINC000826385222 608397255 /nfs/dbraw/zinc/39/72/55/608397255.db2.gz BYHLJNAZOLYMRW-UHFFFAOYSA-N -1 1 390.367 1.103 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000826382815 609174535 /nfs/dbraw/zinc/17/45/35/609174535.db2.gz WHSBVLGJSFGLFL-UHFFFAOYSA-N -1 1 398.437 1.341 20 30 GDEDMM CC(C)(C)c1ccc(S(=O)(=O)CCn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000824136244 609185896 /nfs/dbraw/zinc/18/58/96/609185896.db2.gz NTNISGKUQSTNEZ-UHFFFAOYSA-N -1 1 385.453 1.706 20 30 GDEDMM Cc1nn(Cc2ccc(C#N)cc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334781 609308007 /nfs/dbraw/zinc/30/80/07/609308007.db2.gz JCYCMZNUKOYFPA-UHFFFAOYSA-N -1 1 386.213 1.723 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)c(OC)c1 ZINC000536393027 650270084 /nfs/dbraw/zinc/27/00/84/650270084.db2.gz LMMFUUURAQWSAJ-GFCCVEGCSA-N -1 1 389.499 1.627 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)c(F)c1 ZINC000547872755 650517752 /nfs/dbraw/zinc/51/77/52/650517752.db2.gz OFLRIVHMCWMUPU-UHFFFAOYSA-N -1 1 387.389 1.441 20 30 GDEDMM CCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1S(=O)(=O)N(C)C ZINC000462079928 647507399 /nfs/dbraw/zinc/50/73/99/647507399.db2.gz HYQPFLIQYXVPAF-GFCCVEGCSA-N -1 1 375.472 1.379 20 30 GDEDMM C=CCNC(=O)[C@H](C)S(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000506943598 648232356 /nfs/dbraw/zinc/23/23/56/648232356.db2.gz GVRFAJXSGVVVGD-QMMMGPOBSA-N -1 1 387.259 1.493 20 30 GDEDMM C=CCNC(=O)[C@H](C)S(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000506943598 648232376 /nfs/dbraw/zinc/23/23/76/648232376.db2.gz GVRFAJXSGVVVGD-QMMMGPOBSA-N -1 1 387.259 1.493 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)cc1Br ZINC000593635077 652228510 /nfs/dbraw/zinc/22/85/10/652228510.db2.gz HSJJHIWZZKZRLK-ZDUSSCGKSA-N -1 1 393.234 1.280 20 30 GDEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ncc(C2OCCO2)s1 ZINC000773059597 654579639 /nfs/dbraw/zinc/57/96/39/654579639.db2.gz UUUZRYRYOYGKDO-UHFFFAOYSA-N -1 1 384.395 1.409 20 30 GDEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000774789751 654639966 /nfs/dbraw/zinc/63/99/66/654639966.db2.gz UPRFUHOGBQJWGM-VIFPVBQESA-N -1 1 379.232 1.820 20 30 GDEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000777439343 654719435 /nfs/dbraw/zinc/71/94/35/654719435.db2.gz RLSUDSZFADJUES-UHFFFAOYSA-N -1 1 375.428 1.074 20 30 GDEDMM CCOc1c(Br)cc(C=Nn2c(=O)cn[n-]c2=S)cc1OC ZINC000766474518 655267499 /nfs/dbraw/zinc/26/74/99/655267499.db2.gz NZFMPQVRLOERBR-UHFFFAOYSA-N -1 1 385.243 1.979 20 30 GDEDMM C#CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(=O)OC ZINC000841540222 655341542 /nfs/dbraw/zinc/34/15/42/655341542.db2.gz KBQMBNRFGKOGIY-JTQLQIEISA-N -1 1 382.182 1.571 20 30 GDEDMM N#Cc1cc(Br)ccc1N1CC(C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000843864602 655402211 /nfs/dbraw/zinc/40/22/11/655402211.db2.gz YZWLZSHWCYHQIO-NSHDSACASA-N -1 1 380.242 1.841 20 30 GDEDMM C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000848959912 655507522 /nfs/dbraw/zinc/50/75/22/655507522.db2.gz VNGNORVCGDMENQ-UHFFFAOYSA-N -1 1 379.891 1.152 20 30 GDEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000848961741 655509272 /nfs/dbraw/zinc/50/92/72/655509272.db2.gz MKZGGUOBTWCTAO-UHFFFAOYSA-N -1 1 388.515 1.094 20 30 GDEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OCC ZINC000867588463 656089002 /nfs/dbraw/zinc/08/90/02/656089002.db2.gz DOMWTCCLYNDCQT-MRVPVSSYSA-N -1 1 389.783 1.792 20 30 GDEDMM Cc1cc(Br)c([O-])c(CN2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 ZINC000897294392 658840503 /nfs/dbraw/zinc/84/05/03/658840503.db2.gz ONBBATJXZJLLEH-IUODEOHRSA-N -1 1 385.283 1.833 20 30 GDEDMM C=CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000819751347 945281622 /nfs/dbraw/zinc/28/16/22/945281622.db2.gz TWBXFSLCPPOOTN-OAHLLOKOSA-N -1 1 384.396 1.939 20 30 GDEDMM C=CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000819751347 945281633 /nfs/dbraw/zinc/28/16/33/945281633.db2.gz TWBXFSLCPPOOTN-OAHLLOKOSA-N -1 1 384.396 1.939 20 30 GDEDMM CC(C)(C)OC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001571259581 945391687 /nfs/dbraw/zinc/39/16/87/945391687.db2.gz OWVPBHMJNZCLKC-UHFFFAOYSA-N -1 1 385.432 1.412 20 30 GDEDMM CC(C)(C)OC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001571259581 945391698 /nfs/dbraw/zinc/39/16/98/945391698.db2.gz OWVPBHMJNZCLKC-UHFFFAOYSA-N -1 1 385.432 1.412 20 30 GDEDMM N#Cc1c[nH]c(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571295644 946169067 /nfs/dbraw/zinc/16/90/67/946169067.db2.gz ANVLRFHTVVWEEB-UHFFFAOYSA-N -1 1 390.411 1.010 20 30 GDEDMM N#Cc1c[nH]c(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571295644 946169074 /nfs/dbraw/zinc/16/90/74/946169074.db2.gz ANVLRFHTVVWEEB-UHFFFAOYSA-N -1 1 390.411 1.010 20 30 GDEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312519 946494370 /nfs/dbraw/zinc/49/43/70/946494370.db2.gz GPPNNCZBOUQXBC-NWDGAFQWSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312519 946494380 /nfs/dbraw/zinc/49/43/80/946494380.db2.gz GPPNNCZBOUQXBC-NWDGAFQWSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571312930 946505040 /nfs/dbraw/zinc/50/50/40/946505040.db2.gz MGDKXRBJLBCHOA-LLVKDONJSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001571312930 946505048 /nfs/dbraw/zinc/50/50/48/946505048.db2.gz MGDKXRBJLBCHOA-LLVKDONJSA-N -1 1 392.427 1.209 20 30 GDEDMM C#CCN(C(=O)CC(C)C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573281950 946681470 /nfs/dbraw/zinc/68/14/70/946681470.db2.gz DBSDGCWAHXSMPO-UHFFFAOYSA-N -1 1 382.472 1.442 20 30 GDEDMM C#CCN(C(=O)CC(C)C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573281950 946681475 /nfs/dbraw/zinc/68/14/75/946681475.db2.gz DBSDGCWAHXSMPO-UHFFFAOYSA-N -1 1 382.472 1.442 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573283661 946723122 /nfs/dbraw/zinc/72/31/22/946723122.db2.gz MABVMEMJSAZIHO-JZYVYDRUSA-N -1 1 377.861 1.331 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573283661 946723130 /nfs/dbraw/zinc/72/31/30/946723130.db2.gz MABVMEMJSAZIHO-JZYVYDRUSA-N -1 1 377.861 1.331 20 30 GDEDMM C#CCCCC(=O)N(CCC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573284529 946750554 /nfs/dbraw/zinc/75/05/54/946750554.db2.gz FTZJAVBADWMPOV-UHFFFAOYSA-N -1 1 382.472 1.668 20 30 GDEDMM C#CCCCC(=O)N(CCC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573284529 946750567 /nfs/dbraw/zinc/75/05/67/946750567.db2.gz FTZJAVBADWMPOV-UHFFFAOYSA-N -1 1 382.472 1.668 20 30 GDEDMM C#CCC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001573284898 946759461 /nfs/dbraw/zinc/75/94/61/946759461.db2.gz NWQRBWXTEFOKGR-CQSZACIVSA-N -1 1 380.456 1.325 20 30 GDEDMM C#CCC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001573284898 946759465 /nfs/dbraw/zinc/75/94/65/946759465.db2.gz NWQRBWXTEFOKGR-CQSZACIVSA-N -1 1 380.456 1.325 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285039 946764385 /nfs/dbraw/zinc/76/43/85/946764385.db2.gz CDXRMBJIRAKIRN-STQMWFEESA-N -1 1 389.485 1.320 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573285780 946787690 /nfs/dbraw/zinc/78/76/90/946787690.db2.gz NIYZBFZRAFTOHA-LBPRGKRZSA-N -1 1 389.485 1.320 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C(C)(C)C)cn1 ZINC001573287149 946830345 /nfs/dbraw/zinc/83/03/45/946830345.db2.gz GCQFXKPGCDMLHL-HNNXBMFYSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C(C)(C)C)cn1 ZINC001573287149 946830369 /nfs/dbraw/zinc/83/03/69/946830369.db2.gz 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ZYKQODQOGKETEK-SNVBAGLBSA-N -1 1 391.334 1.430 20 30 GDEDMM N#Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1F ZINC000826385810 607612134 /nfs/dbraw/zinc/61/21/34/607612134.db2.gz BSIHFHFTVUBCCO-UHFFFAOYSA-N -1 1 390.312 1.553 20 30 GDEDMM C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)cc2C1=O ZINC000833377231 605154117 /nfs/dbraw/zinc/15/41/17/605154117.db2.gz SHMWKBIOHUSEBI-CYBMUJFWSA-N -1 1 385.420 1.090 20 30 GDEDMM CCOc1cccc2c1OCC(C(=O)Nc1nc(-c3nn[nH]n3)c(C#N)[n-]1)=C2 ZINC000821430711 606658238 /nfs/dbraw/zinc/65/82/38/606658238.db2.gz FGUYGZHRGPACRO-UHFFFAOYSA-N -1 1 378.352 1.275 20 30 GDEDMM C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000819729529 606836970 /nfs/dbraw/zinc/83/69/70/606836970.db2.gz IMXBJRGMSNANAX-LLVKDONJSA-N -1 1 379.380 1.683 20 30 GDEDMM CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2[nH]nc3cc(C(=O)[O-])ccc32)o1 ZINC000824353234 608228085 /nfs/dbraw/zinc/22/80/85/608228085.db2.gz ZGRYMGGXLNIXIC-UHFFFAOYSA-N -1 1 381.356 1.999 20 30 GDEDMM N#Cc1ccc(F)c(CS(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826385428 608341499 /nfs/dbraw/zinc/34/14/99/608341499.db2.gz MAWIEJCEBHWGGB-UHFFFAOYSA-N -1 1 377.332 1.925 20 30 GDEDMM N#Cc1ccc(F)c(CS(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826385428 608341500 /nfs/dbraw/zinc/34/15/00/608341500.db2.gz MAWIEJCEBHWGGB-UHFFFAOYSA-N -1 1 377.332 1.925 20 30 GDEDMM N#Cc1ccc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1Br ZINC000590683699 652140165 /nfs/dbraw/zinc/14/01/65/652140165.db2.gz GTTHTKPJSNKUNG-LLVKDONJSA-N -1 1 391.229 1.619 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC(=O)N2)cc1Br ZINC000590756348 652145860 /nfs/dbraw/zinc/14/58/60/652145860.db2.gz XUCARXKFVDRFAH-SECBINFHSA-N -1 1 390.234 1.407 20 30 GDEDMM N#C[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(Br)cc1 ZINC000733254644 654503760 /nfs/dbraw/zinc/50/37/60/654503760.db2.gz ZWYDNRDNRWSESW-GFCCVEGCSA-N -1 1 377.198 1.070 20 30 GDEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000774784434 654639305 /nfs/dbraw/zinc/63/93/05/654639305.db2.gz NVLJJEXSVGMZGT-QMMMGPOBSA-N -1 1 382.232 1.292 20 30 GDEDMM CS(=O)(=O)[C@@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000741460524 654689163 /nfs/dbraw/zinc/68/91/63/654689163.db2.gz QNQRUCCWSLSGIY-CQSZACIVSA-N -1 1 389.455 1.357 20 30 GDEDMM CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800139810 654874811 /nfs/dbraw/zinc/87/48/11/654874811.db2.gz WWABSWGVHMJQDU-NSHDSACASA-N -1 1 384.424 1.103 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000832242129 655021906 /nfs/dbraw/zinc/02/19/06/655021906.db2.gz UKVGZKUQVWWDRT-SFYZADRCSA-N -1 1 380.216 1.451 20 30 GDEDMM NC(=O)c1ccc([N-]N=C2C(=O)Nc3c2cc(F)cc3Br)nn1 ZINC000756840295 655028651 /nfs/dbraw/zinc/02/86/51/655028651.db2.gz YUYGDQQTAPPAIT-UHFFFAOYSA-N -1 1 379.149 1.245 20 30 GDEDMM Cc1nn(C)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1Br ZINC000790291644 655044438 /nfs/dbraw/zinc/04/44/38/655044438.db2.gz YZGQYDMDSTUULM-UHFFFAOYSA-N -1 1 382.243 1.564 20 30 GDEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795618773 655183737 /nfs/dbraw/zinc/18/37/37/655183737.db2.gz DZIBOOPPRLKXSJ-LBPRGKRZSA-N -1 1 392.231 1.954 20 30 GDEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795977462 655199083 /nfs/dbraw/zinc/19/90/83/655199083.db2.gz SQDXOMOWHSCXAY-MRVPVSSYSA-N -1 1 395.206 1.549 20 30 GDEDMM CC(=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1csc(C(=O)[O-])c1 ZINC000814687310 655273515 /nfs/dbraw/zinc/27/35/15/655273515.db2.gz SOTFCTDALGBBCI-UHFFFAOYSA-N -1 1 384.395 1.838 20 30 GDEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000848961920 655509519 /nfs/dbraw/zinc/50/95/19/655509519.db2.gz UPTVRHNGVHIPNV-UHFFFAOYSA-N -1 1 399.416 1.127 20 30 GDEDMM Cc1nc(S(=O)(=O)[N-][C@@H]2Cc3ccc(C#N)cc3C2)c(Br)n1C ZINC000867863017 656126746 /nfs/dbraw/zinc/12/67/46/656126746.db2.gz WETLIWMJCSKREO-CYBMUJFWSA-N -1 1 395.282 1.808 20 30 GDEDMM COC(=O)CCN(CC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000871343271 656265786 /nfs/dbraw/zinc/26/57/86/656265786.db2.gz FJVSMFUOKHBMLZ-UHFFFAOYSA-N -1 1 388.161 1.526 20 30 GDEDMM Cn1ncc(S(=O)(=O)[N-]CCOC(F)(F)C(F)(F)F)c1C(F)(F)F ZINC000872560989 656357229 /nfs/dbraw/zinc/35/72/29/656357229.db2.gz NSDACRNFIDXLOW-UHFFFAOYSA-N -1 1 391.240 1.889 20 30 GDEDMM COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901769475 659235021 /nfs/dbraw/zinc/23/50/21/659235021.db2.gz JYDMSCYYIYXXPF-GFCCVEGCSA-N -1 1 379.360 1.520 20 30 GDEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001571294597 946139409 /nfs/dbraw/zinc/13/94/09/946139409.db2.gz JYRPCKNYODYNST-QMMMGPOBSA-N -1 1 389.832 1.503 20 30 GDEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001571294597 946139412 /nfs/dbraw/zinc/13/94/12/946139412.db2.gz JYRPCKNYODYNST-QMMMGPOBSA-N -1 1 389.832 1.503 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)c1 ZINC001571294637 946141492 /nfs/dbraw/zinc/14/14/92/946141492.db2.gz KMDLNJJCZAQMRG-UHFFFAOYSA-N -1 1 389.832 1.139 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)c1 ZINC001571294637 946141495 /nfs/dbraw/zinc/14/14/95/946141495.db2.gz KMDLNJJCZAQMRG-UHFFFAOYSA-N -1 1 389.832 1.139 20 30 GDEDMM CCOc1cc2c(cc1OCC)CN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001571310210 946465714 /nfs/dbraw/zinc/46/57/14/946465714.db2.gz YJUMFNPQRXSABW-UHFFFAOYSA-N -1 1 392.423 1.888 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571312801 946502224 /nfs/dbraw/zinc/50/22/24/946502224.db2.gz KJRZIOUBESMMNG-YPMHNXCESA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571312801 946502233 /nfs/dbraw/zinc/50/22/33/946502233.db2.gz KJRZIOUBESMMNG-YPMHNXCESA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571313431 946523798 /nfs/dbraw/zinc/52/37/98/946523798.db2.gz QZCRZNLCPGVKBT-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571313431 946523806 /nfs/dbraw/zinc/52/38/06/946523806.db2.gz QZCRZNLCPGVKBT-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317816 946621514 /nfs/dbraw/zinc/62/15/14/946621514.db2.gz WHLUORQSVMHLIE-UTLUCORTSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317816 946621521 /nfs/dbraw/zinc/62/15/21/946621521.db2.gz WHLUORQSVMHLIE-UTLUCORTSA-N -1 1 392.876 1.706 20 30 GDEDMM CC(C)COc1ncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1Cl ZINC000824272172 946641759 /nfs/dbraw/zinc/64/17/59/946641759.db2.gz VHHPEDSMLHDDDY-UHFFFAOYSA-N -1 1 387.791 1.797 20 30 GDEDMM C#CCN(C(=O)c1cc[nH]c1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573282694 946695923 /nfs/dbraw/zinc/69/59/23/946695923.db2.gz LOWQPNHFGOQHGA-UHFFFAOYSA-N -1 1 391.439 1.038 20 30 GDEDMM C#CCN(C(=O)c1cc[nH]c1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573282694 946695926 /nfs/dbraw/zinc/69/59/26/946695926.db2.gz LOWQPNHFGOQHGA-UHFFFAOYSA-N -1 1 391.439 1.038 20 30 GDEDMM C#CCN(C(=O)[C@H](C)CCC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573283620 946719659 /nfs/dbraw/zinc/71/96/59/946719659.db2.gz UIPNZDNPSYCWMO-CQSZACIVSA-N -1 1 382.472 1.524 20 30 GDEDMM C#CCN(C(=O)[C@H](C)CCC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573283620 946719670 /nfs/dbraw/zinc/71/96/70/946719670.db2.gz UIPNZDNPSYCWMO-CQSZACIVSA-N -1 1 382.472 1.524 20 30 GDEDMM C#CCCCC(=O)N[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCCC[C@@H]1C ZINC001573285499 946780494 /nfs/dbraw/zinc/78/04/94/946780494.db2.gz YVPDAIKEOCEAQD-LIRRHRJNSA-N -1 1 382.472 1.937 20 30 GDEDMM C#CCCCC(=O)N[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCCC[C@@H]1C ZINC001573285499 946780500 /nfs/dbraw/zinc/78/05/00/946780500.db2.gz YVPDAIKEOCEAQD-LIRRHRJNSA-N -1 1 382.472 1.937 20 30 GDEDMM C=C(C)[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)OCC ZINC001573292857 946940026 /nfs/dbraw/zinc/94/00/26/946940026.db2.gz FLDBVZYBGOPUQH-CQSZACIVSA-N -1 1 386.460 1.113 20 30 GDEDMM C=C(C)[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)OCC ZINC001573292857 946940034 /nfs/dbraw/zinc/94/00/34/946940034.db2.gz FLDBVZYBGOPUQH-CQSZACIVSA-N -1 1 386.460 1.113 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1cnc(-c2nnn[n-]2)cn1)CCc1ccccc1 ZINC001573560449 946951753 /nfs/dbraw/zinc/95/17/53/946951753.db2.gz CQSJBHUYDSAKGQ-CQSZACIVSA-N -1 1 391.439 1.300 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1cnc(-c2nn[n-]n2)cn1)CCc1ccccc1 ZINC001573560449 946951760 /nfs/dbraw/zinc/95/17/60/946951760.db2.gz CQSJBHUYDSAKGQ-CQSZACIVSA-N -1 1 391.439 1.300 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293354 946956283 /nfs/dbraw/zinc/95/62/83/946956283.db2.gz TWJSDXPIJMXVAU-PIMMBPRGSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293354 946956288 /nfs/dbraw/zinc/95/62/88/946956288.db2.gz TWJSDXPIJMXVAU-PIMMBPRGSA-N -1 1 386.460 1.335 20 30 GDEDMM 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C#CCCCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573283126 946708279 /nfs/dbraw/zinc/70/82/79/946708279.db2.gz FIPIMBZOPOJZNY-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573283126 946708292 /nfs/dbraw/zinc/70/82/92/946708292.db2.gz FIPIMBZOPOJZNY-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573284247 946740230 /nfs/dbraw/zinc/74/02/30/946740230.db2.gz WJPXTXDCBCZXEA-HUUCEWRRSA-N -1 1 382.472 1.169 20 30 GDEDMM C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573284938 946762706 /nfs/dbraw/zinc/76/27/06/946762706.db2.gz OVJWLKXGLPMGII-LIRRHRJNSA-N -1 1 380.456 1.501 20 30 GDEDMM C#CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573284938 946762716 /nfs/dbraw/zinc/76/27/16/946762716.db2.gz OVJWLKXGLPMGII-LIRRHRJNSA-N -1 1 380.456 1.501 20 30 GDEDMM C#CCCCC(=O)N1CCC(CC)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573285383 946775270 /nfs/dbraw/zinc/77/52/70/946775270.db2.gz WYNMMTDBRNFLMJ-UHFFFAOYSA-N -1 1 382.472 1.952 20 30 GDEDMM C#CCCCC(=O)N1CCC(CC)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573285383 946775279 /nfs/dbraw/zinc/77/52/79/946775279.db2.gz WYNMMTDBRNFLMJ-UHFFFAOYSA-N -1 1 382.472 1.952 20 30 GDEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285868 946789269 /nfs/dbraw/zinc/78/92/69/946789269.db2.gz PTISWLXVSHRHIS-CHWSQXEVSA-N -1 1 389.485 1.097 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C)nc1 ZINC001573286894 946820128 /nfs/dbraw/zinc/82/01/28/946820128.db2.gz CASBMPFVIWVKBB-HNNXBMFYSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)nc1 ZINC001573286894 946820138 /nfs/dbraw/zinc/82/01/38/946820138.db2.gz CASBMPFVIWVKBB-HNNXBMFYSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573288466 946867082 /nfs/dbraw/zinc/86/70/82/946867082.db2.gz QSTSPPSCKAXXKX-OAHLLOKOSA-N -1 1 388.435 1.284 20 30 GDEDMM C#Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573288466 946867091 /nfs/dbraw/zinc/86/70/91/946867091.db2.gz QSTSPPSCKAXXKX-OAHLLOKOSA-N -1 1 388.435 1.284 20 30 GDEDMM C#CCOCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573288711 946875398 /nfs/dbraw/zinc/87/53/98/946875398.db2.gz YAYMIHRUKNKGBC-UHFFFAOYSA-N -1 1 383.865 1.277 20 30 GDEDMM C#CCOCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573288711 946875414 /nfs/dbraw/zinc/87/54/14/946875414.db2.gz YAYMIHRUKNKGBC-UHFFFAOYSA-N -1 1 383.865 1.277 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001573290223 946900594 /nfs/dbraw/zinc/90/05/94/946900594.db2.gz HDCFZQNVKJNTKE-HDJSIYSDSA-N -1 1 389.423 1.186 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001573290223 946900599 /nfs/dbraw/zinc/90/05/99/946900599.db2.gz HDCFZQNVKJNTKE-HDJSIYSDSA-N -1 1 389.423 1.186 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573290642 946910832 /nfs/dbraw/zinc/91/08/32/946910832.db2.gz NMOZOMDVXRXCPB-KGLIPLIRSA-N -1 1 390.451 1.576 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573290642 946910836 /nfs/dbraw/zinc/91/08/36/946910836.db2.gz NMOZOMDVXRXCPB-KGLIPLIRSA-N -1 1 390.451 1.576 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573560814 946958582 /nfs/dbraw/zinc/95/85/82/946958582.db2.gz GJAUTIYHHPESAE-SFYZADRCSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573560814 946958584 /nfs/dbraw/zinc/95/85/84/946958584.db2.gz GJAUTIYHHPESAE-SFYZADRCSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573564129 946989165 /nfs/dbraw/zinc/98/91/65/946989165.db2.gz GIJVWLKYGJPMEW-CHWSQXEVSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573564129 946989175 /nfs/dbraw/zinc/98/91/75/946989175.db2.gz GIJVWLKYGJPMEW-CHWSQXEVSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573567297 947040375 /nfs/dbraw/zinc/04/03/75/947040375.db2.gz LNNRSETXJVNWIC-UGSOOPFHSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573567297 947040388 /nfs/dbraw/zinc/04/03/88/947040388.db2.gz LNNRSETXJVNWIC-UGSOOPFHSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@](C)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573570040 947081160 /nfs/dbraw/zinc/08/11/60/947081160.db2.gz ISNXZYCLKAVNQU-UOWDBTKRSA-N -1 1 380.865 1.833 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573300098 947105211 /nfs/dbraw/zinc/10/52/11/947105211.db2.gz ILJPKYYHXMBGGT-CABCVRRESA-N -1 1 376.424 1.639 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573300098 947105217 /nfs/dbraw/zinc/10/52/17/947105217.db2.gz ILJPKYYHXMBGGT-CABCVRRESA-N -1 1 376.424 1.639 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1(C)C ZINC001573577980 947178656 /nfs/dbraw/zinc/17/86/56/947178656.db2.gz WSAJERXVBHRLQT-SFYZADRCSA-N -1 1 380.865 1.467 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573582754 947196173 /nfs/dbraw/zinc/19/61/73/947196173.db2.gz GVVWFCCPTHMMEY-IWSPIJDZSA-N -1 1 380.865 1.325 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573584125 947213221 /nfs/dbraw/zinc/21/32/21/947213221.db2.gz QONSSYOCNIUUGU-QMMMGPOBSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573584125 947213227 /nfs/dbraw/zinc/21/32/27/947213227.db2.gz QONSSYOCNIUUGU-QMMMGPOBSA-N -1 1 380.865 1.469 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573310033 947216332 /nfs/dbraw/zinc/21/63/32/947216332.db2.gz RMCCAYMVFJEVNH-FZKQIMNGSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573310033 947216348 /nfs/dbraw/zinc/21/63/48/947216348.db2.gz RMCCAYMVFJEVNH-FZKQIMNGSA-N -1 1 388.476 1.235 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584232 947216911 /nfs/dbraw/zinc/21/69/11/947216911.db2.gz RRFXWDOSCQNGPH-LRDDRELGSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584232 947216916 /nfs/dbraw/zinc/21/69/16/947216916.db2.gz RRFXWDOSCQNGPH-LRDDRELGSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@@H](C#N)C(=O)NCCC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573584526 947225176 /nfs/dbraw/zinc/22/51/76/947225176.db2.gz XLOJVZQNCRLZTD-QMMMGPOBSA-N -1 1 380.865 1.835 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573314716 947236009 /nfs/dbraw/zinc/23/60/09/947236009.db2.gz FLBUJOVLFODHSE-QLFBSQMISA-N -1 1 382.472 1.686 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573314716 947236024 /nfs/dbraw/zinc/23/60/24/947236024.db2.gz FLBUJOVLFODHSE-QLFBSQMISA-N -1 1 382.472 1.686 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573584927 947239170 /nfs/dbraw/zinc/23/91/70/947239170.db2.gz HMCQADMWDHJMMQ-LBPRGKRZSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573584927 947239185 /nfs/dbraw/zinc/23/91/85/947239185.db2.gz HMCQADMWDHJMMQ-LBPRGKRZSA-N -1 1 377.412 1.069 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573315468 947251970 /nfs/dbraw/zinc/25/19/70/947251970.db2.gz MNDIMPSMVIICIZ-AWEZNQCLSA-N -1 1 384.488 1.912 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573585533 947260362 /nfs/dbraw/zinc/26/03/62/947260362.db2.gz RRJXMUNXJKPUCV-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573585533 947260372 /nfs/dbraw/zinc/26/03/72/947260372.db2.gz RRJXMUNXJKPUCV-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCO[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573318986 947323489 /nfs/dbraw/zinc/32/34/89/947323489.db2.gz IJNRLEGSPDKRME-GFCCVEGCSA-N -1 1 391.501 1.873 20 30 GDEDMM C=CC[C@H](C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573320003 947341064 /nfs/dbraw/zinc/34/10/64/947341064.db2.gz TVJBPUYQLWYSSD-INIZCTEOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CC[C@H](C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573320003 947341074 /nfs/dbraw/zinc/34/10/74/947341074.db2.gz TVJBPUYQLWYSSD-INIZCTEOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573326441 947374155 /nfs/dbraw/zinc/37/41/55/947374155.db2.gz PALAVJHUTCMOHJ-UKRRQHHQSA-N -1 1 382.472 1.932 20 30 GDEDMM C=CCC(CC=C)C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573326441 947374165 /nfs/dbraw/zinc/37/41/65/947374165.db2.gz PALAVJHUTCMOHJ-UKRRQHHQSA-N -1 1 382.472 1.932 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573326976 947384722 /nfs/dbraw/zinc/38/47/22/947384722.db2.gz ZKLUHBSOKRZWOL-CYBMUJFWSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573326976 947384734 /nfs/dbraw/zinc/38/47/34/947384734.db2.gz ZKLUHBSOKRZWOL-CYBMUJFWSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573336985 947510924 /nfs/dbraw/zinc/51/09/24/947510924.db2.gz SJAYVTVKHQVIFY-KGLIPLIRSA-N -1 1 386.460 1.255 20 30 GDEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573336985 947510940 /nfs/dbraw/zinc/51/09/40/947510940.db2.gz SJAYVTVKHQVIFY-KGLIPLIRSA-N -1 1 386.460 1.255 20 30 GDEDMM C=CCOCC(=O)N1CC[C@@H]2[C@@H](CCN2c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573343148 947551490 /nfs/dbraw/zinc/55/14/90/947551490.db2.gz KJZFFCGOBQAYFQ-QWHCGFSZSA-N -1 1 389.485 1.261 20 30 GDEDMM C=CCOCC(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573343418 947557572 /nfs/dbraw/zinc/55/75/72/947557572.db2.gz PDDBSCIBCJHQPN-VHSXEESVSA-N -1 1 397.892 1.876 20 30 GDEDMM C=CCOCC(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573343418 947557579 /nfs/dbraw/zinc/55/75/79/947557579.db2.gz PDDBSCIBCJHQPN-VHSXEESVSA-N -1 1 397.892 1.876 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573351895 947623913 /nfs/dbraw/zinc/62/39/13/947623913.db2.gz XHNUEDIOEHMJBI-LZWOXQAQSA-N -1 1 398.471 1.431 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573351895 947623921 /nfs/dbraw/zinc/62/39/21/947623921.db2.gz XHNUEDIOEHMJBI-LZWOXQAQSA-N -1 1 398.471 1.431 20 30 GDEDMM CC#CCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573358303 947661009 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1.316 20 30 GDEDMM Cc1onc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826346268 948037407 /nfs/dbraw/zinc/03/74/07/948037407.db2.gz IBEXOPSBXURFAV-UHFFFAOYSA-N -1 1 392.423 1.363 20 30 GDEDMM Cc1onc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826346268 948037415 /nfs/dbraw/zinc/03/74/15/948037415.db2.gz IBEXOPSBXURFAV-UHFFFAOYSA-N -1 1 392.423 1.363 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000826383320 948182277 /nfs/dbraw/zinc/18/22/77/948182277.db2.gz VGAFAEJODXLRHA-UHFFFAOYSA-N -1 1 391.420 1.621 20 30 GDEDMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001573822796 949803914 /nfs/dbraw/zinc/80/39/14/949803914.db2.gz MXUNGNUINDCXJH-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001573822796 949803940 /nfs/dbraw/zinc/80/39/40/949803940.db2.gz MXUNGNUINDCXJH-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 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GDEDMM N#Cc1ccc2ncc(CN[C@@H]3CCN([C@@H](C(=O)[O-])c4ccccc4)C3=O)n2c1 ZINC001611299597 970982273 /nfs/dbraw/zinc/98/22/73/970982273.db2.gz KCMPQXHLWIHBIH-IEBWSBKVSA-N -1 1 389.415 1.722 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571292192 946089736 /nfs/dbraw/zinc/08/97/36/946089736.db2.gz VFMVQACOVYGKLC-DUVNUKRYSA-N -1 1 389.423 1.223 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571292192 946089745 /nfs/dbraw/zinc/08/97/45/946089745.db2.gz VFMVQACOVYGKLC-DUVNUKRYSA-N -1 1 389.423 1.223 20 30 GDEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571312503 946493674 /nfs/dbraw/zinc/49/36/74/946493674.db2.gz GGCQWJQIZRKDGZ-KLPPZKSPSA-N -1 1 392.427 1.039 20 30 GDEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571312503 946493682 /nfs/dbraw/zinc/49/36/82/946493682.db2.gz GGCQWJQIZRKDGZ-KLPPZKSPSA-N -1 1 392.427 1.039 20 30 GDEDMM 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946769039 /nfs/dbraw/zinc/76/90/39/946769039.db2.gz SOBLOKOUACFMMK-UHFFFAOYSA-N -1 1 382.472 1.450 20 30 GDEDMM C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285414 946777632 /nfs/dbraw/zinc/77/76/32/946777632.db2.gz HQTBCYDWHAHALP-PXAZEXFGSA-N -1 1 389.485 1.320 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(CC)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573287108 946829183 /nfs/dbraw/zinc/82/91/83/946829183.db2.gz FGPIJGJXFMLKLE-UHFFFAOYSA-N -1 1 376.424 1.284 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(CC)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573287108 946829194 /nfs/dbraw/zinc/82/91/94/946829194.db2.gz FGPIJGJXFMLKLE-UHFFFAOYSA-N -1 1 376.424 1.284 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)nc1 ZINC001573288322 946863222 /nfs/dbraw/zinc/86/32/22/946863222.db2.gz JQJFPGWTRBSUBA-TZMCWYRMSA-N -1 1 389.423 1.057 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)nc1 ZINC001573288322 946863231 /nfs/dbraw/zinc/86/32/31/946863231.db2.gz JQJFPGWTRBSUBA-TZMCWYRMSA-N 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C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573293300 946954344 /nfs/dbraw/zinc/95/43/44/946954344.db2.gz RPJKKMVVMRYOLT-QMMMGPOBSA-N -1 1 385.881 1.468 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001573293373 946956305 /nfs/dbraw/zinc/95/63/05/946956305.db2.gz UJROZQUUJVSGMW-CQSZACIVSA-N -1 1 386.460 1.067 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1nccnc1-c1nnn[n-]1)CCc1ccccc1 ZINC001573561456 946965006 /nfs/dbraw/zinc/96/50/06/946965006.db2.gz KYMQKGKDIYJBRY-CQSZACIVSA-N -1 1 391.439 1.300 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1nccnc1-c1nn[n-]n1)CCc1ccccc1 ZINC001573561456 946965016 /nfs/dbraw/zinc/96/50/16/946965016.db2.gz KYMQKGKDIYJBRY-CQSZACIVSA-N -1 1 391.439 1.300 20 30 GDEDMM C=C(C)CCC(=O)NC[C@@]1(C)CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573293951 946972403 /nfs/dbraw/zinc/97/24/03/946972403.db2.gz PGGMLUKMSGJLSD-KRWDZBQOSA-N -1 1 391.501 1.699 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573294565 946992586 /nfs/dbraw/zinc/99/25/86/946992586.db2.gz IBSKOSMMVUGGKO-KEYYUXOJSA-N -1 1 398.471 1.431 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573294565 946992591 /nfs/dbraw/zinc/99/25/91/946992591.db2.gz IBSKOSMMVUGGKO-KEYYUXOJSA-N -1 1 398.471 1.431 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(C)c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573564468 946994592 /nfs/dbraw/zinc/99/45/92/946994592.db2.gz JANKFUQCIZGIKD-QMMMGPOBSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(C)c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573564468 946994598 /nfs/dbraw/zinc/99/45/98/946994598.db2.gz JANKFUQCIZGIKD-QMMMGPOBSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@@H]1C)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573565965 947017661 /nfs/dbraw/zinc/01/76/61/947017661.db2.gz XRWGLHJMXCNVPP-OLZOCXBDSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@@H]1C)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573565965 947017670 /nfs/dbraw/zinc/01/76/70/947017670.db2.gz XRWGLHJMXCNVPP-OLZOCXBDSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573566296 947023481 /nfs/dbraw/zinc/02/34/81/947023481.db2.gz AUEFYMHGPSLWNE-OPRDCNLKSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573566296 947023482 /nfs/dbraw/zinc/02/34/82/947023482.db2.gz AUEFYMHGPSLWNE-OPRDCNLKSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573567584 947048792 /nfs/dbraw/zinc/04/87/92/947048792.db2.gz PBGOCTKCHFZFFK-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567584 947048801 /nfs/dbraw/zinc/04/88/01/947048801.db2.gz PBGOCTKCHFZFFK-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C=C(C)CCC(=O)N1C[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@@]2(C)C1 ZINC001573298121 947068605 /nfs/dbraw/zinc/06/86/05/947068605.db2.gz AXPJDDCIIOQPPE-VLIAUNLRSA-N -1 1 396.499 1.860 20 30 GDEDMM C=C(C)CCC(=O)N1C[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@@]2(C)C1 ZINC001573298121 947068611 /nfs/dbraw/zinc/06/86/11/947068611.db2.gz AXPJDDCIIOQPPE-VLIAUNLRSA-N -1 1 396.499 1.860 20 30 GDEDMM C=C1CC(C)(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)C1 ZINC001573298569 947077788 /nfs/dbraw/zinc/07/77/88/947077788.db2.gz PUWFKFIUJYADPD-KGLIPLIRSA-N -1 1 382.472 1.331 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573582216 947189836 /nfs/dbraw/zinc/18/98/36/947189836.db2.gz CBSOZOFQABXTRF-DTWKUNHWSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573584428 947221348 /nfs/dbraw/zinc/22/13/48/947221348.db2.gz VSUWCJILPREFOB-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573584428 947221361 /nfs/dbraw/zinc/22/13/61/947221361.db2.gz VSUWCJILPREFOB-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001573584989 947240991 /nfs/dbraw/zinc/24/09/91/947240991.db2.gz BSFISZZVTFOIMX-UTEYVOQOSA-N -1 1 392.876 1.611 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573316686 947280354 /nfs/dbraw/zinc/28/03/54/947280354.db2.gz YNQSBGKJQKMPHZ-AWEZNQCLSA-N -1 1 384.488 1.982 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573316686 947280362 /nfs/dbraw/zinc/28/03/62/947280362.db2.gz YNQSBGKJQKMPHZ-AWEZNQCLSA-N -1 1 384.488 1.982 20 30 GDEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573325860 947361777 /nfs/dbraw/zinc/36/17/77/947361777.db2.gz HKJYMKGZHQELAM-ZDUSSCGKSA-N -1 1 386.460 1.072 20 30 GDEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573325860 947361787 /nfs/dbraw/zinc/36/17/87/947361787.db2.gz HKJYMKGZHQELAM-ZDUSSCGKSA-N -1 1 386.460 1.072 20 30 GDEDMM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 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CDWHOZHDPUFOHD-YCPHGPKFSA-N -1 1 398.471 1.174 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573348510 947584982 /nfs/dbraw/zinc/58/49/82/947584982.db2.gz RIHHUHHYDLHPFS-CQSZACIVSA-N -1 1 386.460 1.067 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573348510 947584995 /nfs/dbraw/zinc/58/49/95/947584995.db2.gz RIHHUHHYDLHPFS-CQSZACIVSA-N -1 1 386.460 1.067 20 30 GDEDMM Cc1onc(CC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nnn[n-]1 ZINC000826347969 948062922 /nfs/dbraw/zinc/06/29/22/948062922.db2.gz OAEPHPKKGWDJKY-UHFFFAOYSA-N -1 1 389.379 1.284 20 30 GDEDMM Cc1onc(CC(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1-c1nn[n-]n1 ZINC000826347969 948062932 /nfs/dbraw/zinc/06/29/32/948062932.db2.gz OAEPHPKKGWDJKY-UHFFFAOYSA-N -1 1 389.379 1.284 20 30 GDEDMM N#Cc1ncn(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826388261 948193710 /nfs/dbraw/zinc/19/37/10/948193710.db2.gz PGCPDFAFPIGVTM-UHFFFAOYSA-N -1 1 394.729 1.828 20 30 GDEDMM 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N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000593545541 531843691 /nfs/dbraw/zinc/84/36/91/531843691.db2.gz GKCNFAAUUZHPTP-LLVKDONJSA-N -1 1 375.230 1.783 20 30 GDEDMM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C(=O)OCC)cs1 ZINC000735416247 598996639 /nfs/dbraw/zinc/99/66/39/598996639.db2.gz FSPVJEWUNFAOLP-UHFFFAOYSA-N -1 1 385.409 1.728 20 30 GDEDMM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C(=O)OCC)cs1 ZINC000735416247 598996641 /nfs/dbraw/zinc/99/66/41/598996641.db2.gz FSPVJEWUNFAOLP-UHFFFAOYSA-N -1 1 385.409 1.728 20 30 GDEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC ZINC000736309441 599005946 /nfs/dbraw/zinc/00/59/46/599005946.db2.gz OGFSAHKKJNXEKZ-CQSZACIVSA-N -1 1 393.407 1.881 20 30 GDEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC ZINC000736309441 599005948 /nfs/dbraw/zinc/00/59/48/599005948.db2.gz OGFSAHKKJNXEKZ-CQSZACIVSA-N -1 1 393.407 1.881 20 30 GDEDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736157806 599140548 /nfs/dbraw/zinc/14/05/48/599140548.db2.gz MWQZJNAZBZNAAI-VIFPVBQESA-N -1 1 397.782 1.971 20 30 GDEDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736157806 599140549 /nfs/dbraw/zinc/14/05/49/599140549.db2.gz MWQZJNAZBZNAAI-VIFPVBQESA-N -1 1 397.782 1.971 20 30 GDEDMM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737104224 599152391 /nfs/dbraw/zinc/15/23/91/599152391.db2.gz UUVVYYOYYFGJKS-GFCCVEGCSA-N -1 1 393.363 1.240 20 30 GDEDMM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737101403 599152700 /nfs/dbraw/zinc/15/27/00/599152700.db2.gz FYUVGECCLIRHSY-LLVKDONJSA-N -1 1 397.782 1.885 20 30 GDEDMM N#Cc1[n-]c(NC(=O)CNc2cccc(C(F)(F)F)c2)nc1-c1nn[nH]n1 ZINC000737706041 598258985 /nfs/dbraw/zinc/25/89/85/598258985.db2.gz UOQMGXVFZALBBL-UHFFFAOYSA-N -1 1 377.290 1.531 20 30 GDEDMM CCN(CCC#N)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736534612 598720648 /nfs/dbraw/zinc/72/06/48/598720648.db2.gz LJNBBCGUNIGHQW-UHFFFAOYSA-N -1 1 385.815 1.597 20 30 GDEDMM N#Cc1nc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccc1Cl ZINC000737728704 598745232 /nfs/dbraw/zinc/74/52/32/598745232.db2.gz UEONKUPTYOKXST-UHFFFAOYSA-N -1 1 397.830 1.979 20 30 GDEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 ZINC000833619792 604963025 /nfs/dbraw/zinc/96/30/25/604963025.db2.gz CXUPOPNGCGACEZ-CJNGLKHVSA-N -1 1 377.408 1.332 20 30 GDEDMM CCCN(C(=O)CCNC(O)=C1N=CC=CC1=O)C1CCN(C(=O)[O-])CC1 ZINC000826862294 605882297 /nfs/dbraw/zinc/88/22/97/605882297.db2.gz DYJLIXHMTIWCQO-WUKNDPDISA-N -1 1 378.429 1.284 20 30 GDEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820842877 606158189 /nfs/dbraw/zinc/15/81/89/606158189.db2.gz QOFWJGDUNFOWTI-LBPRGKRZSA-N -1 1 381.400 1.603 20 30 GDEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820842877 606158192 /nfs/dbraw/zinc/15/81/92/606158192.db2.gz QOFWJGDUNFOWTI-LBPRGKRZSA-N -1 1 381.400 1.603 20 30 GDEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000822609607 606167312 /nfs/dbraw/zinc/16/73/12/606167312.db2.gz RVEMQBGEXJAWIK-UHFFFAOYSA-N -1 1 393.411 1.547 20 30 GDEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000822609607 606167314 /nfs/dbraw/zinc/16/73/14/606167314.db2.gz RVEMQBGEXJAWIK-UHFFFAOYSA-N -1 1 393.411 1.547 20 30 GDEDMM Cc1cc(F)cc2c1ncc(C#N)c2NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822204254 606441934 /nfs/dbraw/zinc/44/19/34/606441934.db2.gz JNQSLUZNDAGUQT-UHFFFAOYSA-N -1 1 392.402 1.506 20 30 GDEDMM Cc1cc(F)cc2c1ncc(C#N)c2NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822204254 606441935 /nfs/dbraw/zinc/44/19/35/606441935.db2.gz JNQSLUZNDAGUQT-UHFFFAOYSA-N -1 1 392.402 1.506 20 30 GDEDMM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000819730041 606837049 /nfs/dbraw/zinc/83/70/49/606837049.db2.gz QPAMLPQDKZPOSI-LBPRGKRZSA-N -1 1 393.407 1.992 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000820777531 606855013 /nfs/dbraw/zinc/85/50/13/606855013.db2.gz SACQGKDOQRZJON-ZDUSSCGKSA-N -1 1 381.444 1.168 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000820777531 606855015 /nfs/dbraw/zinc/85/50/15/606855015.db2.gz SACQGKDOQRZJON-ZDUSSCGKSA-N -1 1 381.444 1.168 20 30 GDEDMM COc1ccc(-c2cncc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2)cc1 ZINC000821732321 606907720 /nfs/dbraw/zinc/90/77/20/606907720.db2.gz MZZQEBRIJXZHEX-UHFFFAOYSA-N -1 1 387.363 1.784 20 30 GDEDMM C=CCCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823899580 607937750 /nfs/dbraw/zinc/93/77/50/607937750.db2.gz YRCJLSQGMKBIER-UHFFFAOYSA-N -1 1 391.375 1.757 20 30 GDEDMM Cc1oc(NC(=O)COC(=O)c2ccc(CC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826342356 607978594 /nfs/dbraw/zinc/97/85/94/607978594.db2.gz HKNUBTZJBQMWID-UHFFFAOYSA-N -1 1 380.364 1.938 20 30 GDEDMM C[C@H](C#N)Oc1ccccc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824035271 609164184 /nfs/dbraw/zinc/16/41/84/609164184.db2.gz VNHFGPIVCDLLLM-SNVBAGLBSA-N -1 1 396.415 1.217 20 30 GDEDMM C[C@H](C#N)Oc1ccccc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824035271 609164185 /nfs/dbraw/zinc/16/41/85/609164185.db2.gz VNHFGPIVCDLLLM-SNVBAGLBSA-N -1 1 396.415 1.217 20 30 GDEDMM C#CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000823837394 609309407 /nfs/dbraw/zinc/30/94/07/609309407.db2.gz CXRSJAASYHBLNO-AWEZNQCLSA-N -1 1 393.455 1.511 20 30 GDEDMM C#CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000823837394 609309408 /nfs/dbraw/zinc/30/94/08/609309408.db2.gz CXRSJAASYHBLNO-AWEZNQCLSA-N -1 1 393.455 1.511 20 30 GDEDMM C=C(C)CC[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000916079915 660184390 /nfs/dbraw/zinc/18/43/90/660184390.db2.gz UVKTXFOIKPMFFU-UHFFFAOYSA-N -1 1 375.248 1.745 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)N2CCCC2)cc1Br ZINC000331346171 645504424 /nfs/dbraw/zinc/50/44/24/645504424.db2.gz VXJCCBMYNQSVGI-UHFFFAOYSA-N -1 1 390.234 1.361 20 30 GDEDMM N#CCN1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000486377198 647936824 /nfs/dbraw/zinc/93/68/24/647936824.db2.gz JXBBTCMKRGBIRT-UHFFFAOYSA-N -1 1 375.226 1.984 20 30 GDEDMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F ZINC000586748768 652090697 /nfs/dbraw/zinc/09/06/97/652090697.db2.gz LXFFFUSXSUTIOS-UHFFFAOYSA-N -1 1 383.426 1.601 20 30 GDEDMM C=CCOCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000657148256 654131665 /nfs/dbraw/zinc/13/16/65/654131665.db2.gz BBVPEHJKNYHTSY-UHFFFAOYSA-N -1 1 394.490 1.848 20 30 GDEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@@H]1CCCO1 ZINC000773058380 654579268 /nfs/dbraw/zinc/57/92/68/654579268.db2.gz UMNKRLOBDSZMEF-ZJUUUORDSA-N -1 1 379.663 1.957 20 30 GDEDMM Cn1ncc(Br)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000782243005 654826799 /nfs/dbraw/zinc/82/67/99/654826799.db2.gz PTQUFNVQBXCTOA-UHFFFAOYSA-N -1 1 388.203 1.403 20 30 GDEDMM O=c1nc(NN=Cc2cc3c(c(Br)c2)OCO3)nc2[nH][n-]cc1-2 ZINC000731155058 654944020 /nfs/dbraw/zinc/94/40/20/654944020.db2.gz QEURKDHTGHVMNJ-UHFFFAOYSA-N -1 1 377.158 1.369 20 30 GDEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805089272 655023476 /nfs/dbraw/zinc/02/34/76/655023476.db2.gz ZXXVWOHCBMIHDP-GHMZBOCLSA-N -1 1 378.292 1.751 20 30 GDEDMM N#C[C@H]1CNC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000834490186 655070157 /nfs/dbraw/zinc/07/01/57/655070157.db2.gz SKSGFQZQRCTREU-GXTWGEPZSA-N -1 1 376.463 1.390 20 30 GDEDMM N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000834490195 655070372 /nfs/dbraw/zinc/07/03/72/655070372.db2.gz SKSGFQZQRCTREU-TZMCWYRMSA-N -1 1 376.463 1.390 20 30 GDEDMM C#CCC[C@H](O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000811494563 655198286 /nfs/dbraw/zinc/19/82/86/655198286.db2.gz XJWRCYNMNZPHHF-JTQLQIEISA-N -1 1 379.265 1.162 20 30 GDEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CC2)c(F)cc1Br ZINC000797463360 655244150 /nfs/dbraw/zinc/24/41/50/655244150.db2.gz KDPQLGUZEZRQDH-UHFFFAOYSA-N -1 1 391.218 1.957 20 30 GDEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000848969487 655516066 /nfs/dbraw/zinc/51/60/66/655516066.db2.gz OUPAWEVJCKUJRD-UHFFFAOYSA-N -1 1 391.490 1.416 20 30 GDEDMM N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(Cl)n2)C1 ZINC000852904355 655626602 /nfs/dbraw/zinc/62/66/02/655626602.db2.gz JRUCNMFQLCPMRX-UHFFFAOYSA-N -1 1 392.890 1.042 20 30 GDEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000859427998 655783658 /nfs/dbraw/zinc/78/36/58/655783658.db2.gz TXAIWTWLKLSSRS-MRVPVSSYSA-N -1 1 380.216 1.145 20 30 GDEDMM N#Cc1cc(CS(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000915742306 660177815 /nfs/dbraw/zinc/17/78/15/660177815.db2.gz PMAAVZAMXULKMN-JTQLQIEISA-N -1 1 395.428 1.840 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312521 946494157 /nfs/dbraw/zinc/49/41/57/946494157.db2.gz GPPNNCZBOUQXBC-VXGBXAGGSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312521 946494166 /nfs/dbraw/zinc/49/41/66/946494166.db2.gz GPPNNCZBOUQXBC-VXGBXAGGSA-N 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C#CCCCCCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573282752 946696779 /nfs/dbraw/zinc/69/67/79/946696779.db2.gz NXDYFLQPICGVAC-AWEZNQCLSA-N -1 1 382.472 1.498 20 30 GDEDMM C#CCCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001573282804 946700000 /nfs/dbraw/zinc/70/00/00/946700000.db2.gz OCMZCIOCIWLJFL-LSDHHAIUSA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001573282804 946700011 /nfs/dbraw/zinc/70/00/11/946700011.db2.gz OCMZCIOCIWLJFL-LSDHHAIUSA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCN(C(=O)CCC(=C)C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573283968 946733125 /nfs/dbraw/zinc/73/31/25/946733125.db2.gz YEGKKDNKCSZZQW-UHFFFAOYSA-N -1 1 380.456 1.444 20 30 GDEDMM C#CCN(C(=O)CCC(=C)C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573283968 946733132 /nfs/dbraw/zinc/73/31/32/946733132.db2.gz YEGKKDNKCSZZQW-UHFFFAOYSA-N -1 1 380.456 1.444 20 30 GDEDMM C#CCCCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573284182 946737844 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C#CCN(C(C)C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000903641540 659366351 /nfs/dbraw/zinc/36/63/51/659366351.db2.gz ZVBJNCTVKRSYJU-UHFFFAOYSA-N -1 1 393.918 1.540 20 30 GDEDMM N#Cc1cc(CS(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cs1 ZINC000915742307 660177859 /nfs/dbraw/zinc/17/78/59/660177859.db2.gz PMAAVZAMXULKMN-SNVBAGLBSA-N -1 1 395.428 1.840 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571292193 946090880 /nfs/dbraw/zinc/09/08/80/946090880.db2.gz VFMVQACOVYGKLC-IVMMDQJWSA-N -1 1 389.423 1.223 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571292193 946090889 /nfs/dbraw/zinc/09/08/89/946090889.db2.gz VFMVQACOVYGKLC-IVMMDQJWSA-N -1 1 389.423 1.223 20 30 GDEDMM N#Cc1ccc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)[nH]1 ZINC001571294982 946149881 /nfs/dbraw/zinc/14/98/81/946149881.db2.gz RNVHAQPADWULKJ-UHFFFAOYSA-N -1 1 389.832 1.139 20 30 GDEDMM N#Cc1ccc(CS(=O)(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571295280 946159929 /nfs/dbraw/zinc/15/99/29/946159929.db2.gz VXNQPQPHRJMQFE-UHFFFAOYSA-N -1 1 390.375 1.636 20 30 GDEDMM N#Cc1ccc(CS(=O)(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571295280 946159930 /nfs/dbraw/zinc/15/99/30/946159930.db2.gz VXNQPQPHRJMQFE-UHFFFAOYSA-N -1 1 390.375 1.636 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)c1 ZINC001571296293 946189683 /nfs/dbraw/zinc/18/96/83/946189683.db2.gz TXDITDONMLRSGY-KGLIPLIRSA-N -1 1 390.411 1.010 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)c1 ZINC001571296293 946189689 /nfs/dbraw/zinc/18/96/89/946189689.db2.gz TXDITDONMLRSGY-KGLIPLIRSA-N -1 1 390.411 1.010 20 30 GDEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312520 946492886 /nfs/dbraw/zinc/49/28/86/946492886.db2.gz GPPNNCZBOUQXBC-RYUDHWBXSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312520 946492894 /nfs/dbraw/zinc/49/28/94/946492894.db2.gz GPPNNCZBOUQXBC-RYUDHWBXSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571312584 946497002 /nfs/dbraw/zinc/49/70/02/946497002.db2.gz IAGVIFVHSKNGEQ-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571312584 946497008 /nfs/dbraw/zinc/49/70/08/946497008.db2.gz IAGVIFVHSKNGEQ-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317814 946621103 /nfs/dbraw/zinc/62/11/03/946621103.db2.gz WHLUORQSVMHLIE-KXUCPTDWSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317814 946621108 /nfs/dbraw/zinc/62/11/08/946621108.db2.gz WHLUORQSVMHLIE-KXUCPTDWSA-N -1 1 392.876 1.706 20 30 GDEDMM C#CCCCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573281737 946680226 /nfs/dbraw/zinc/68/02/26/946680226.db2.gz BDFRNHSOVCGXQD-HUUCEWRRSA-N -1 1 382.472 1.169 20 30 GDEDMM C#CCN(C(=O)CCCCC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573282446 946690421 /nfs/dbraw/zinc/69/04/21/946690421.db2.gz JCKHZVSUNQQTEM-UHFFFAOYSA-N -1 1 382.472 1.668 20 30 GDEDMM C#CCN(C(=O)CCCCC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573282446 946690428 /nfs/dbraw/zinc/69/04/28/946690428.db2.gz JCKHZVSUNQQTEM-UHFFFAOYSA-N -1 1 382.472 1.668 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001573282799 946697965 /nfs/dbraw/zinc/69/79/65/946697965.db2.gz OCMZCIOCIWLJFL-GJZGRUSLSA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001573282799 946697969 /nfs/dbraw/zinc/69/79/69/946697969.db2.gz OCMZCIOCIWLJFL-GJZGRUSLSA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573282959 946702063 /nfs/dbraw/zinc/70/20/63/946702063.db2.gz PDKKMJQSXIFCCY-HNNXBMFYSA-N -1 1 382.472 1.634 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573282959 946702070 /nfs/dbraw/zinc/70/20/70/946702070.db2.gz PDKKMJQSXIFCCY-HNNXBMFYSA-N -1 1 382.472 1.634 20 30 GDEDMM C#CCCCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573283850 946727585 /nfs/dbraw/zinc/72/75/85/946727585.db2.gz YYGBCDRZMOBUCG-LIRRHRJNSA-N -1 1 380.456 1.325 20 30 GDEDMM C#CCCCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573283850 946727597 /nfs/dbraw/zinc/72/75/97/946727597.db2.gz YYGBCDRZMOBUCG-LIRRHRJNSA-N -1 1 380.456 1.325 20 30 GDEDMM C#CCCCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573285258 946772714 /nfs/dbraw/zinc/77/27/14/946772714.db2.gz UNAMVQJNDNEYPS-DZGCQCFKSA-N -1 1 382.472 1.665 20 30 GDEDMM C#CCCCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573285258 946772717 /nfs/dbraw/zinc/77/27/17/946772717.db2.gz UNAMVQJNDNEYPS-DZGCQCFKSA-N -1 1 382.472 1.665 20 30 GDEDMM C#CCC1(C(=O)N[C@@H](C)CN(C)c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573285266 946774151 /nfs/dbraw/zinc/77/41/51/946774151.db2.gz UVNTWTQDZQCNGD-AWEZNQCLSA-N -1 1 382.472 1.571 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573290197 946898327 /nfs/dbraw/zinc/89/83/27/946898327.db2.gz GOPPSTYDUSADNI-ZDUSSCGKSA-N -1 1 376.424 1.140 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573290197 946898333 /nfs/dbraw/zinc/89/83/33/946898333.db2.gz GOPPSTYDUSADNI-ZDUSSCGKSA-N -1 1 376.424 1.140 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573290194 946898944 /nfs/dbraw/zinc/89/89/44/946898944.db2.gz GOPPSTYDUSADNI-CYBMUJFWSA-N -1 1 376.424 1.140 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573290194 946898959 /nfs/dbraw/zinc/89/89/59/946898959.db2.gz GOPPSTYDUSADNI-CYBMUJFWSA-N -1 1 376.424 1.140 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573290508 946905156 /nfs/dbraw/zinc/90/51/56/946905156.db2.gz KVISJELDBQBNKD-MRXNPFEDSA-N -1 1 390.451 1.496 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573290508 946905162 /nfs/dbraw/zinc/90/51/62/946905162.db2.gz KVISJELDBQBNKD-MRXNPFEDSA-N -1 1 390.451 1.496 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573292869 946942183 /nfs/dbraw/zinc/94/21/83/946942183.db2.gz FSPKTKOXIMHXAR-BPLDGKMQSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573292869 946942189 /nfs/dbraw/zinc/94/21/89/946942189.db2.gz FSPKTKOXIMHXAR-BPLDGKMQSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C(C)[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573293355 946955836 /nfs/dbraw/zinc/95/58/36/946955836.db2.gz TWJSDXPIJMXVAU-SSDMNJCBSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C(C)[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573293355 946955845 /nfs/dbraw/zinc/95/58/45/946955845.db2.gz TWJSDXPIJMXVAU-SSDMNJCBSA-N -1 1 386.460 1.335 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573566017 947021098 /nfs/dbraw/zinc/02/10/98/947021098.db2.gz ZDKRFOZRGOIFAV-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573566017 947021112 /nfs/dbraw/zinc/02/11/12/947021112.db2.gz ZDKRFOZRGOIFAV-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567314 947044452 /nfs/dbraw/zinc/04/44/52/947044452.db2.gz LXUKAFOXDMNHPG-BBBLOLIVSA-N -1 1 392.876 1.706 20 30 GDEDMM C=C1CCC(C(=O)NCC2=CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573296737 947055100 /nfs/dbraw/zinc/05/51/00/947055100.db2.gz ZDAZYBRPTBRXOS-UHFFFAOYSA-N -1 1 380.456 1.656 20 30 GDEDMM C=C1CCC(C(=O)NCC2=CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573296737 947055116 /nfs/dbraw/zinc/05/51/16/947055116.db2.gz ZDAZYBRPTBRXOS-UHFFFAOYSA-N -1 1 380.456 1.656 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H](C)C1 ZINC001573570264 947087047 /nfs/dbraw/zinc/08/70/47/947087047.db2.gz MOJNLOYWDKWFKS-DJLDLDEBSA-N -1 1 380.865 1.643 20 30 GDEDMM C=C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573300102 947104873 /nfs/dbraw/zinc/10/48/73/947104873.db2.gz ILJPKYYHXMBGGT-HUUCEWRRSA-N -1 1 376.424 1.639 20 30 GDEDMM C=C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573300102 947104877 /nfs/dbraw/zinc/10/48/77/947104877.db2.gz ILJPKYYHXMBGGT-HUUCEWRRSA-N -1 1 376.424 1.639 20 30 GDEDMM C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573300733 947119121 /nfs/dbraw/zinc/11/91/21/947119121.db2.gz TWJSDXPIJMXVAU-YDHLFZDLSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573300733 947119125 /nfs/dbraw/zinc/11/91/25/947119125.db2.gz TWJSDXPIJMXVAU-YDHLFZDLSA-N -1 1 386.460 1.335 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1(C)C ZINC001573577056 947159208 /nfs/dbraw/zinc/15/92/08/947159208.db2.gz LOUACILJSNEIAR-HTQZYQBOSA-N -1 1 380.865 1.467 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1(C)C ZINC001573577056 947159220 /nfs/dbraw/zinc/15/92/20/947159220.db2.gz LOUACILJSNEIAR-HTQZYQBOSA-N -1 1 380.865 1.467 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1(C)C ZINC001573577981 947179271 /nfs/dbraw/zinc/17/92/71/947179271.db2.gz WSAJERXVBHRLQT-YUMQZZPRSA-N -1 1 380.865 1.467 20 30 GDEDMM CCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825407075 947179377 /nfs/dbraw/zinc/17/93/77/947179377.db2.gz XXVIGFUSWBBURO-UHFFFAOYSA-N -1 1 393.411 1.056 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573584480 947224389 /nfs/dbraw/zinc/22/43/89/947224389.db2.gz WUCKPMSVACSSSD-HIFRSBDPSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573584480 947224399 /nfs/dbraw/zinc/22/43/99/947224399.db2.gz WUCKPMSVACSSSD-HIFRSBDPSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573585285 947251724 /nfs/dbraw/zinc/25/17/24/947251724.db2.gz NJJBFGBIEBUDKG-RYUDHWBXSA-N -1 1 377.412 1.028 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573586178 947279972 /nfs/dbraw/zinc/27/99/72/947279972.db2.gz LHRKCCONFONGHP-HXFLIBJXSA-N -1 1 378.849 1.362 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573586178 947279982 /nfs/dbraw/zinc/27/99/82/947279982.db2.gz LHRKCCONFONGHP-HXFLIBJXSA-N -1 1 378.849 1.362 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573318996 947321725 /nfs/dbraw/zinc/32/17/25/947321725.db2.gz ISONWUCMFDQVJU-KGLIPLIRSA-N -1 1 384.488 1.577 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573319836 947335680 /nfs/dbraw/zinc/33/56/80/947335680.db2.gz RZCQBBNJXLIYIP-CYBMUJFWSA-N -1 1 384.488 1.859 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CC[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573319836 947335692 /nfs/dbraw/zinc/33/56/92/947335692.db2.gz RZCQBBNJXLIYIP-CYBMUJFWSA-N -1 1 384.488 1.859 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573320762 947352719 /nfs/dbraw/zinc/35/27/19/947352719.db2.gz ZFNWYNNJYAMCQO-ZIAGYGMSSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573320762 947352731 /nfs/dbraw/zinc/35/27/31/947352731.db2.gz ZFNWYNNJYAMCQO-ZIAGYGMSSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573326380 947372262 /nfs/dbraw/zinc/37/22/62/947372262.db2.gz OMHOALGVHXBWAT-DZGCQCFKSA-N -1 1 382.472 1.899 20 30 GDEDMM CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825965651 947386502 /nfs/dbraw/zinc/38/65/02/947386502.db2.gz ACFTXBCAGXNJIQ-UHFFFAOYSA-N -1 1 388.338 1.195 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573336667 947509440 /nfs/dbraw/zinc/50/94/40/947509440.db2.gz PSMXFKUOIZQZDI-QWHCGFSZSA-N -1 1 391.501 1.698 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337519 947517917 /nfs/dbraw/zinc/51/79/17/947517917.db2.gz XWCVCBXIRSJOPK-SCLBCKFNSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337519 947517927 /nfs/dbraw/zinc/51/79/27/947517927.db2.gz XWCVCBXIRSJOPK-SCLBCKFNSA-N -1 1 386.460 1.288 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358597 947666014 /nfs/dbraw/zinc/66/60/14/947666014.db2.gz FOPAHUDZGAHNAT-LSDHHAIUSA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358597 947666019 /nfs/dbraw/zinc/66/60/19/947666019.db2.gz FOPAHUDZGAHNAT-LSDHHAIUSA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 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ZINC000823872698 607905931 /nfs/dbraw/zinc/90/59/31/607905931.db2.gz CQKQIBDDNOLFIL-ZIAGYGMSSA-N -1 1 386.460 1.065 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000825000575 607991746 /nfs/dbraw/zinc/99/17/46/607991746.db2.gz SQUDTYFUHAQEBL-CYBMUJFWSA-N -1 1 389.423 1.074 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000825000575 607991747 /nfs/dbraw/zinc/99/17/47/607991747.db2.gz SQUDTYFUHAQEBL-CYBMUJFWSA-N -1 1 389.423 1.074 20 30 GDEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826382994 608397533 /nfs/dbraw/zinc/39/75/33/608397533.db2.gz FGLZIOCFKRGVDQ-UHFFFAOYSA-N -1 1 387.411 1.341 20 30 GDEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826382994 608397535 /nfs/dbraw/zinc/39/75/35/608397535.db2.gz FGLZIOCFKRGVDQ-UHFFFAOYSA-N -1 1 387.411 1.341 20 30 GDEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)nn(CC(=O)OC(C)C)c2C)o1 ZINC000826323325 608535025 /nfs/dbraw/zinc/53/50/25/608535025.db2.gz ZUEYTZNKNNFUBV-UHFFFAOYSA-N -1 1 387.404 1.374 20 30 GDEDMM COc1ccc(C#N)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826186881 609156739 /nfs/dbraw/zinc/15/67/39/609156739.db2.gz NXIHBHQADUFUQH-UHFFFAOYSA-N -1 1 396.415 1.149 20 30 GDEDMM COc1ccc(C#N)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826186881 609156743 /nfs/dbraw/zinc/15/67/43/609156743.db2.gz NXIHBHQADUFUQH-UHFFFAOYSA-N -1 1 396.415 1.149 20 30 GDEDMM N#Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826384758 609291322 /nfs/dbraw/zinc/29/13/22/609291322.db2.gz IIFOIFNNIKRWIB-UHFFFAOYSA-N -1 1 375.327 1.710 20 30 GDEDMM C=CC[C@H](CO)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888681 609357378 /nfs/dbraw/zinc/35/73/78/609357378.db2.gz TVXPUJAGNXGKIU-NSHDSACASA-N -1 1 386.391 1.498 20 30 GDEDMM C=C(C)CN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823873677 609367565 /nfs/dbraw/zinc/36/75/65/609367565.db2.gz OZPYYHOKQZLMPK-UHFFFAOYSA-N -1 1 384.375 1.165 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](N2CCOCC2)C(F)(F)F)c(F)c1 ZINC000551993834 650616196 /nfs/dbraw/zinc/61/61/96/650616196.db2.gz DKCZACPCKAYIHH-CYBMUJFWSA-N -1 1 381.351 1.239 20 30 GDEDMM CN1CCN(C)[C@H](CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000329778028 645329367 /nfs/dbraw/zinc/32/93/67/645329367.db2.gz KWNIXTDZRSPZNJ-LLVKDONJSA-N -1 1 380.905 1.852 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)c(F)c1 ZINC000509256047 648277284 /nfs/dbraw/zinc/27/72/84/648277284.db2.gz PYXGSIPCJQWCGB-UHFFFAOYSA-N -1 1 387.458 1.797 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc(Br)c2)o1 ZINC000581935444 651980259 /nfs/dbraw/zinc/98/02/59/651980259.db2.gz GTEBLQVDWNSRJJ-UHFFFAOYSA-N -1 1 384.211 1.831 20 30 GDEDMM CCC(F)(F)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 ZINC000600760799 652551856 /nfs/dbraw/zinc/55/18/56/652551856.db2.gz LPCSOYYOGJNOAB-UHFFFAOYSA-N -1 1 393.437 1.345 20 30 GDEDMM Cc1cc(Br)cn2c(C=NNc3nc4[nH][n-]cc-4c(=O)n3)cnc12 ZINC000783843077 654871540 /nfs/dbraw/zinc/87/15/40/654871540.db2.gz SPJJNRMYCFJUCF-UHFFFAOYSA-N -1 1 387.201 1.597 20 30 GDEDMM C#CCSCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000830652772 654952798 /nfs/dbraw/zinc/95/27/98/654952798.db2.gz DIVRFULYERRTKI-UHFFFAOYSA-N -1 1 394.515 1.622 20 30 GDEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1 ZINC000831139051 654973574 /nfs/dbraw/zinc/97/35/74/654973574.db2.gz AEMNIPDJCYJGMD-STQMWFEESA-N -1 1 387.230 1.919 20 30 GDEDMM N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000834480511 655069822 /nfs/dbraw/zinc/06/98/22/655069822.db2.gz RDOFDRIIVRKLLG-XCBNKYQSSA-N -1 1 389.047 1.759 20 30 GDEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809825926 655139020 /nfs/dbraw/zinc/13/90/20/655139020.db2.gz PWPUPPJGUNRWGL-UHFFFAOYSA-N -1 1 390.824 1.901 20 30 GDEDMM C#C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000839796786 655265509 /nfs/dbraw/zinc/26/55/09/655265509.db2.gz HXUZZRVADVJDPX-SNVBAGLBSA-N -1 1 377.249 1.132 20 30 GDEDMM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000798486390 655268717 /nfs/dbraw/zinc/26/87/17/655268717.db2.gz QWVFOYJEWRNFRX-JTQLQIEISA-N -1 1 377.216 1.410 20 30 GDEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(C(F)(F)F)[nH]n2)cc1 ZINC000799479499 655292123 /nfs/dbraw/zinc/29/21/23/655292123.db2.gz UOJKZRSCQLLTCV-UHFFFAOYSA-N -1 1 377.304 1.790 20 30 GDEDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(=O)O1 ZINC000841519926 655335756 /nfs/dbraw/zinc/33/57/56/655335756.db2.gz FKMLEQLNUNKTPV-QUBYGPBYSA-N -1 1 377.191 1.442 20 30 GDEDMM N#Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C=CCC2)c1 ZINC000852906408 655627250 /nfs/dbraw/zinc/62/72/50/655627250.db2.gz XMJKKCCGAFFGPG-CQSZACIVSA-N -1 1 384.483 1.113 20 30 GDEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OCC ZINC000882644667 657174733 /nfs/dbraw/zinc/17/47/33/657174733.db2.gz NTIAXSZQUGPQAX-SNVBAGLBSA-N -1 1 394.291 1.667 20 30 GDEDMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000882782914 657230685 /nfs/dbraw/zinc/23/06/85/657230685.db2.gz IXBMAWZGPALRMY-RXMQYKEDSA-N -1 1 391.240 1.276 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H](O)C2CC2)cc1Br ZINC000908315132 659897477 /nfs/dbraw/zinc/89/74/77/659897477.db2.gz XTLCJPWUCDSULJ-LBPRGKRZSA-N -1 1 377.235 1.899 20 30 GDEDMM [O-]c1ccc(C=NNC(=S)NCCN2CCOCC2)cc1Br ZINC000915926603 660181333 /nfs/dbraw/zinc/18/13/33/660181333.db2.gz WWZHVBUFGZGLQV-UHFFFAOYSA-N -1 1 387.303 1.285 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)[nH]1 ZINC001571294210 946128151 /nfs/dbraw/zinc/12/81/51/946128151.db2.gz BBFWOVNQFDJWDF-MRVPVSSYSA-N -1 1 389.832 1.185 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)[nH]1 ZINC001571294210 946128156 /nfs/dbraw/zinc/12/81/56/946128156.db2.gz BBFWOVNQFDJWDF-MRVPVSSYSA-N -1 1 389.832 1.185 20 30 GDEDMM N#CCCN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC1CC1 ZINC000822806769 946192464 /nfs/dbraw/zinc/19/24/64/946192464.db2.gz SWPXXDCGPQXDJQ-UHFFFAOYSA-N -1 1 391.439 1.617 20 30 GDEDMM N#CCCN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC1CC1 ZINC000822806769 946192472 /nfs/dbraw/zinc/19/24/72/946192472.db2.gz SWPXXDCGPQXDJQ-UHFFFAOYSA-N -1 1 391.439 1.617 20 30 GDEDMM CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571312603 946495315 /nfs/dbraw/zinc/49/53/15/946495315.db2.gz INGCGDLLLAAWSV-RISCZKNCSA-N -1 1 392.427 1.209 20 30 GDEDMM CC[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571312603 946495322 /nfs/dbraw/zinc/49/53/22/946495322.db2.gz INGCGDLLLAAWSV-RISCZKNCSA-N -1 1 392.427 1.209 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001571313953 946537559 /nfs/dbraw/zinc/53/75/59/946537559.db2.gz YAVRKIDCTIZYRC-SMDDNHRTSA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571313953 946537572 /nfs/dbraw/zinc/53/75/72/946537572.db2.gz YAVRKIDCTIZYRC-SMDDNHRTSA-N -1 1 392.427 1.257 20 30 GDEDMM C#CCCCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573281678 946678870 /nfs/dbraw/zinc/67/88/70/946678870.db2.gz AMMFPXCKEQMNOO-OAHLLOKOSA-N -1 1 382.472 1.716 20 30 GDEDMM C#CCCCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573281678 946678873 /nfs/dbraw/zinc/67/88/73/946678873.db2.gz AMMFPXCKEQMNOO-OAHLLOKOSA-N -1 1 382.472 1.716 20 30 GDEDMM C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573282173 946686534 /nfs/dbraw/zinc/68/65/34/946686534.db2.gz GRJMTCOVJKMPOE-GASCZTMLSA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573282173 946686539 /nfs/dbraw/zinc/68/65/39/946686539.db2.gz GRJMTCOVJKMPOE-GASCZTMLSA-N -1 1 380.456 1.420 20 30 GDEDMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824491624 946740703 /nfs/dbraw/zinc/74/07/03/946740703.db2.gz VXJSTRHQFOLCDG-ZDUSSCGKSA-N -1 1 399.418 1.874 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573291183 946914483 /nfs/dbraw/zinc/91/44/83/946914483.db2.gz YFTYPZGSUZIDBI-ZDUSSCGKSA-N -1 1 390.451 1.353 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573291183 946914490 /nfs/dbraw/zinc/91/44/90/946914490.db2.gz YFTYPZGSUZIDBI-ZDUSSCGKSA-N -1 1 390.451 1.353 20 30 GDEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1 ZINC001573291669 946921164 /nfs/dbraw/zinc/92/11/64/946921164.db2.gz HITWOMOJWVCUJM-DOMZBBRYSA-N -1 1 389.423 1.138 20 30 GDEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1 ZINC001573291669 946921178 /nfs/dbraw/zinc/92/11/78/946921178.db2.gz HITWOMOJWVCUJM-DOMZBBRYSA-N -1 1 389.423 1.138 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)OCC ZINC001573293509 946961051 /nfs/dbraw/zinc/96/10/51/946961051.db2.gz YOANVOLEAHKAOM-HIFRSBDPSA-N -1 1 386.460 1.431 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)OCC ZINC001573293509 946961057 /nfs/dbraw/zinc/96/10/57/946961057.db2.gz 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CC(C)N(CCN(C)c1snc(Cl)c1-c1nn[n-]n1)C(=O)[C@@H](C)C#N ZINC001573562350 946975659 /nfs/dbraw/zinc/97/56/59/946975659.db2.gz SPSBXNDHCGSMRF-VIFPVBQESA-N -1 1 382.881 1.809 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1nccnc1-c1nnn[n-]1)Cc1ccccc1 ZINC001573562745 946978754 /nfs/dbraw/zinc/97/87/54/946978754.db2.gz XDLDJVFNDCXRKJ-CYBMUJFWSA-N -1 1 377.412 1.257 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1nccnc1-c1nn[n-]n1)Cc1ccccc1 ZINC001573562745 946978774 /nfs/dbraw/zinc/97/87/74/946978774.db2.gz XDLDJVFNDCXRKJ-CYBMUJFWSA-N -1 1 377.412 1.257 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573569685 947075989 /nfs/dbraw/zinc/07/59/89/947075989.db2.gz DRCNMQDEJXOURW-KOSWAMCASA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573569685 947075998 /nfs/dbraw/zinc/07/59/98/947075998.db2.gz DRCNMQDEJXOURW-KOSWAMCASA-N -1 1 392.876 1.421 20 30 GDEDMM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573300485 947114049 /nfs/dbraw/zinc/11/40/49/947114049.db2.gz KQORPQFXKQSKPK-NSHDSACASA-N -1 1 379.490 1.099 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001573572946 947117764 /nfs/dbraw/zinc/11/77/64/947117764.db2.gz KWKFMUBOHHWTHQ-BDAKNGLRSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)CC2 ZINC001573574114 947127871 /nfs/dbraw/zinc/12/78/71/947127871.db2.gz QUAJRHWWILZPMN-DTWKUNHWSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)CC2 ZINC001573574114 947127879 /nfs/dbraw/zinc/12/78/79/947127879.db2.gz QUAJRHWWILZPMN-DTWKUNHWSA-N -1 1 392.876 1.611 20 30 GDEDMM C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573305047 947148623 /nfs/dbraw/zinc/14/86/23/947148623.db2.gz LKBGHXCPXKITAR-STQMWFEESA-N -1 1 382.472 1.611 20 30 GDEDMM C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573305047 947148628 /nfs/dbraw/zinc/14/86/28/947148628.db2.gz LKBGHXCPXKITAR-STQMWFEESA-N -1 1 382.472 1.611 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573306733 947173807 /nfs/dbraw/zinc/17/38/07/947173807.db2.gz MAHRCKTVSRLSOD-CQSZACIVSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573306733 947173814 /nfs/dbraw/zinc/17/38/14/947173814.db2.gz MAHRCKTVSRLSOD-CQSZACIVSA-N -1 1 384.488 1.980 20 30 GDEDMM C[C@H](C#N)C(=O)NCCC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573584525 947225464 /nfs/dbraw/zinc/22/54/64/947225464.db2.gz XLOJVZQNCRLZTD-MRVPVSSYSA-N -1 1 380.865 1.835 20 30 GDEDMM C=CC[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573318412 947308433 /nfs/dbraw/zinc/30/84/33/947308433.db2.gz BIADHKJYFJNINI-HNNXBMFYSA-N -1 1 378.440 1.569 20 30 GDEDMM C=CC[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318412 947308448 /nfs/dbraw/zinc/30/84/48/947308448.db2.gz BIADHKJYFJNINI-HNNXBMFYSA-N -1 1 378.440 1.569 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573320174 947342856 /nfs/dbraw/zinc/34/28/56/947342856.db2.gz VCNPPXJJNWHGIT-AWEZNQCLSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573320174 947342871 /nfs/dbraw/zinc/34/28/71/947342871.db2.gz VCNPPXJJNWHGIT-AWEZNQCLSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573347643 947575135 /nfs/dbraw/zinc/57/51/35/947575135.db2.gz FYHSBFVSHBSSHZ-AWEZNQCLSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCOCCCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573347643 947575139 /nfs/dbraw/zinc/57/51/39/947575139.db2.gz FYHSBFVSHBSSHZ-AWEZNQCLSA-N -1 1 386.460 1.290 20 30 GDEDMM COc1ccc([C@@H](NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)C(C)C)cc1 ZINC000826188931 947576763 /nfs/dbraw/zinc/57/67/63/947576763.db2.gz JWZCGYKHTQMHDO-INIZCTEOSA-N -1 1 380.412 1.457 20 30 GDEDMM COc1ccc([C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)C(C)C)cc1 ZINC000826189579 947579559 /nfs/dbraw/zinc/57/95/59/947579559.db2.gz YRHWXMPUQJZACC-MRXNPFEDSA-N -1 1 380.412 1.457 20 30 GDEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573359329 947683905 /nfs/dbraw/zinc/68/39/05/947683905.db2.gz ZEKGNWKEVYRYOD-SNVBAGLBSA-N -1 1 379.877 1.865 20 30 GDEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1-c1ccccc1Cl ZINC000826260942 947755861 /nfs/dbraw/zinc/75/58/61/947755861.db2.gz KNXJOJFJQQSHLC-UHFFFAOYSA-N -1 1 394.786 1.861 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000826328689 947957608 /nfs/dbraw/zinc/95/76/08/947957608.db2.gz ZHXHRZMEZQXLNS-IBGZPJMESA-N -1 1 395.471 1.903 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000826328689 947957614 /nfs/dbraw/zinc/95/76/14/947957614.db2.gz ZHXHRZMEZQXLNS-IBGZPJMESA-N -1 1 395.471 1.903 20 30 GDEDMM Cc1onc(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826346229 948038457 /nfs/dbraw/zinc/03/84/57/948038457.db2.gz HAQUHBZLXTVCLN-UHFFFAOYSA-N -1 1 390.325 1.892 20 30 GDEDMM Cc1onc(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826346229 948038466 /nfs/dbraw/zinc/03/84/66/948038466.db2.gz HAQUHBZLXTVCLN-UHFFFAOYSA-N -1 1 390.325 1.892 20 30 GDEDMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575516954 949222120 /nfs/dbraw/zinc/22/21/20/949222120.db2.gz SDDFJCKSGQZTFH-LBPRGKRZSA-N -1 1 377.412 1.184 20 30 GDEDMM CC(C)(C)C#CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573793192 949292717 /nfs/dbraw/zinc/29/27/17/949292717.db2.gz NYZNHYUWPWBIHF-UHFFFAOYSA-N -1 1 382.472 1.937 20 30 GDEDMM CC(C)(C)C#CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573793192 949292736 /nfs/dbraw/zinc/29/27/36/949292736.db2.gz NYZNHYUWPWBIHF-UHFFFAOYSA-N -1 1 382.472 1.937 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193702 950311378 /nfs/dbraw/zinc/31/13/78/950311378.db2.gz WIEWUWCKXPUIND-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193702 950311394 /nfs/dbraw/zinc/31/13/94/950311394.db2.gz WIEWUWCKXPUIND-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575019057 951030564 /nfs/dbraw/zinc/03/05/64/951030564.db2.gz QHYABXFCECUMFK-SSDOTTSWSA-N -1 1 391.848 1.654 20 30 GDEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575019057 951030576 /nfs/dbraw/zinc/03/05/76/951030576.db2.gz QHYABXFCECUMFK-SSDOTTSWSA-N -1 1 391.848 1.654 20 30 GDEDMM COC(=O)CC[C@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001571130038 952578341 /nfs/dbraw/zinc/57/83/41/952578341.db2.gz NPPAXSSLMLLLFA-CYBMUJFWSA-N -1 1 378.396 1.505 20 30 GDEDMM COC(=O)CC[C@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001571130038 952578344 /nfs/dbraw/zinc/57/83/44/952578344.db2.gz NPPAXSSLMLLLFA-CYBMUJFWSA-N -1 1 378.396 1.505 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(F)c1 ZINC001574485840 961680037 /nfs/dbraw/zinc/68/00/37/961680037.db2.gz KMMZPYNWQYGHDG-NOEPWBJOSA-N -1 1 386.376 1.527 20 30 GDEDMM COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC001604542540 973537255 /nfs/dbraw/zinc/53/72/55/973537255.db2.gz XEOXJQCCKUBPHM-FOIQADDNSA-N -1 1 389.452 1.753 20 30 GDEDMM N#Cc1csc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC001605626917 973960999 /nfs/dbraw/zinc/96/09/99/973960999.db2.gz ROEWOWCHMCIBDH-WPRPVWTQSA-N -1 1 375.328 1.356 20 30 GDEDMM COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001604756305 973966602 /nfs/dbraw/zinc/96/66/02/973966602.db2.gz FLCJIDFTPXTSOJ-TZMCWYRMSA-N -1 1 385.342 1.663 20 30 GDEDMM COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001604756305 973966607 /nfs/dbraw/zinc/96/66/07/973966607.db2.gz FLCJIDFTPXTSOJ-TZMCWYRMSA-N -1 1 385.342 1.663 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1F ZINC000427135543 974050803 /nfs/dbraw/zinc/05/08/03/974050803.db2.gz JMMUMLSRMRWSJQ-UHFFFAOYSA-N -1 1 391.380 1.703 20 30 GDEDMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCC(C#N)(C(=O)[O-])CC1)OC2=O ZINC001589941723 988724418 /nfs/dbraw/zinc/72/44/18/988724418.db2.gz LMKVXWVTPYZLFF-CYBMUJFWSA-N -1 1 393.440 1.229 20 30 GDEDMM COc1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c(C(=O)[O-])cc1Br ZINC001599438146 997885559 /nfs/dbraw/zinc/88/55/59/997885559.db2.gz KXGPUWSVGDLJGX-RDDDGLTNSA-N -1 1 383.202 1.389 20 30 GDEDMM COc1ccc(CNS(C)(=O)=O)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000520412949 531227025 /nfs/dbraw/zinc/22/70/25/531227025.db2.gz GXSYZNHLBFGKSY-UHFFFAOYSA-N -1 1 389.499 1.426 20 30 GDEDMM CC[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1 ZINC000349486775 531240756 /nfs/dbraw/zinc/24/07/56/531240756.db2.gz CCYAHXHRJGVIKX-ZDUSSCGKSA-N -1 1 386.499 1.147 20 30 GDEDMM CC(C)C(C)(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000349573515 531349060 /nfs/dbraw/zinc/34/90/60/531349060.db2.gz XWWRCKLTFHSLCT-UHFFFAOYSA-N -1 1 388.515 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/nfs/dbraw/zinc/04/22/25/532042225.db2.gz VGTWBLJIJGGNSQ-UHFFFAOYSA-N -1 1 387.483 1.041 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2cccc(OCC(F)(F)F)n2)nc1-c1nn[nH]n1 ZINC000737704154 598892022 /nfs/dbraw/zinc/89/20/22/598892022.db2.gz DHLCUZYDKSGJRG-UHFFFAOYSA-N -1 1 379.262 1.050 20 30 GDEDMM C#CCCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000819693316 599192117 /nfs/dbraw/zinc/19/21/17/599192117.db2.gz PXNZXABGFOOTEO-UHFFFAOYSA-N -1 1 395.423 1.861 20 30 GDEDMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000534783225 597062908 /nfs/dbraw/zinc/06/29/08/597062908.db2.gz NKDPQAGVPFZRMU-UHFFFAOYSA-N -1 1 379.360 1.214 20 30 GDEDMM N#CCNC(=O)CSc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000737696134 598532312 /nfs/dbraw/zinc/53/23/12/598532312.db2.gz OIUQVAQRJXERRH-UHFFFAOYSA-N -1 1 381.421 1.742 20 30 GDEDMM N#CC1(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CCCCC1 ZINC000737678478 598721231 /nfs/dbraw/zinc/72/12/31/598721231.db2.gz IRQKLBOQUYQHBA-UHFFFAOYSA-N -1 1 377.408 1.524 20 30 GDEDMM Cc1c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cnn1-c1ccccc1Cl ZINC000737209711 598759229 /nfs/dbraw/zinc/75/92/29/598759229.db2.gz UFGFTPJDOZEMQU-UHFFFAOYSA-N -1 1 394.786 1.861 20 30 GDEDMM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000819913659 599313564 /nfs/dbraw/zinc/31/35/64/599313564.db2.gz AHDKOJNYTLPYPR-UHFFFAOYSA-N -1 1 393.411 1.490 20 30 GDEDMM O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823665372 599336256 /nfs/dbraw/zinc/33/62/56/599336256.db2.gz IHEJEORCVWFSFS-UHFFFAOYSA-N -1 1 386.169 1.814 20 30 GDEDMM O=c1c2cc(Br)ccc2ncn1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823665372 599336259 /nfs/dbraw/zinc/33/62/59/599336259.db2.gz IHEJEORCVWFSFS-UHFFFAOYSA-N -1 1 386.169 1.814 20 30 GDEDMM C=C(Cl)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735402309 599453137 /nfs/dbraw/zinc/45/31/37/599453137.db2.gz QGWPBCSZLDHAGR-UHFFFAOYSA-N -1 1 378.824 1.316 20 30 GDEDMM C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000736094995 599951456 /nfs/dbraw/zinc/95/14/56/599951456.db2.gz BXSNBQMJGLYVDB-UHFFFAOYSA-N -1 1 398.463 1.563 20 30 GDEDMM Cc1ncsc1C(=O)OCCc1c(C(=O)[O-])[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000738893038 600577028 /nfs/dbraw/zinc/57/70/28/600577028.db2.gz UVSUERWJFYRVNS-UHFFFAOYSA-N -1 1 398.400 1.900 20 30 GDEDMM CCOc1ccc(-c2nc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)co2)cc1 ZINC000821400610 607464949 /nfs/dbraw/zinc/46/49/49/607464949.db2.gz MJIMZUFUKSCWFK-UHFFFAOYSA-N -1 1 377.368 1.619 20 30 GDEDMM N#CCCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826381293 607609063 /nfs/dbraw/zinc/60/90/63/607609063.db2.gz FZOFQJWHUVTBTL-UHFFFAOYSA-N -1 1 387.400 1.505 20 30 GDEDMM N#CCCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826381293 607609064 /nfs/dbraw/zinc/60/90/64/607609064.db2.gz FZOFQJWHUVTBTL-UHFFFAOYSA-N -1 1 387.400 1.505 20 30 GDEDMM N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826380433 607661126 /nfs/dbraw/zinc/66/11/26/607661126.db2.gz AAAKRFZLRXJNBF-KWQFWETISA-N -1 1 386.359 1.856 20 30 GDEDMM N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000833974080 605839682 /nfs/dbraw/zinc/83/96/82/605839682.db2.gz SSVUTWAOJFJJSG-MRXNPFEDSA-N -1 1 392.375 1.783 20 30 GDEDMM N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000833974080 605839686 /nfs/dbraw/zinc/83/96/86/605839686.db2.gz SSVUTWAOJFJJSG-MRXNPFEDSA-N -1 1 392.375 1.783 20 30 GDEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820842875 606158477 /nfs/dbraw/zinc/15/84/77/606158477.db2.gz QOFWJGDUNFOWTI-GFCCVEGCSA-N -1 1 381.400 1.603 20 30 GDEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820842875 606158480 /nfs/dbraw/zinc/15/84/80/606158480.db2.gz QOFWJGDUNFOWTI-GFCCVEGCSA-N -1 1 381.400 1.603 20 30 GDEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000822542060 606280902 /nfs/dbraw/zinc/28/09/02/606280902.db2.gz UIPKUOCOMNJXOC-AWEZNQCLSA-N -1 1 394.439 1.524 20 30 GDEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000822542060 606280904 /nfs/dbraw/zinc/28/09/04/606280904.db2.gz UIPKUOCOMNJXOC-AWEZNQCLSA-N -1 1 394.439 1.524 20 30 GDEDMM Cc1cccc2c1ncc(C#N)c2N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822332061 606444155 /nfs/dbraw/zinc/44/41/55/606444155.db2.gz LVTDSYLCBLVHSY-UHFFFAOYSA-N -1 1 388.439 1.969 20 30 GDEDMM C=C[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000819730308 606800196 /nfs/dbraw/zinc/80/01/96/606800196.db2.gz VNQSQSYJSBMKPU-NSHDSACASA-N -1 1 384.400 1.521 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000820788749 606831435 /nfs/dbraw/zinc/83/14/35/606831435.db2.gz NMQLGKNYJVLYEK-CYBMUJFWSA-N -1 1 389.423 1.074 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000820788749 606831437 /nfs/dbraw/zinc/83/14/37/606831437.db2.gz NMQLGKNYJVLYEK-CYBMUJFWSA-N -1 1 389.423 1.074 20 30 GDEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC1(C#N)CCOCC1 ZINC000826232811 609156935 /nfs/dbraw/zinc/15/69/35/609156935.db2.gz JJPIAMJTMALIFY-UHFFFAOYSA-N -1 1 386.412 1.380 20 30 GDEDMM CCN(C[C@@H](C)C#N)C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825399268 609278964 /nfs/dbraw/zinc/27/89/64/609278964.db2.gz NVVDRZYYOXFJLB-LBPRGKRZSA-N -1 1 397.418 1.612 20 30 GDEDMM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888417 609365125 /nfs/dbraw/zinc/36/51/25/609365125.db2.gz MAKOYGWBEMVCHZ-SNVBAGLBSA-N -1 1 384.375 1.211 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc1-c1nn[nH]n1 ZINC000826382782 609435820 /nfs/dbraw/zinc/43/58/20/609435820.db2.gz UPCVWACCKOLKLR-UHFFFAOYSA-N -1 1 391.254 1.223 20 30 GDEDMM COC(=O)COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826138449 609448661 /nfs/dbraw/zinc/44/86/61/609448661.db2.gz VJIKXEGKLDLNNX-UHFFFAOYSA-N -1 1 385.384 1.976 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCC#N)c(OC)c1 ZINC000534138951 650218784 /nfs/dbraw/zinc/21/87/84/650218784.db2.gz WNYHVJXCABUMJX-UHFFFAOYSA-N 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ZINC000518869698 648613983 /nfs/dbraw/zinc/61/39/83/648613983.db2.gz JLDMBEXSKYZCDT-UHFFFAOYSA-N -1 1 376.467 1.958 20 30 GDEDMM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000573624090 651487236 /nfs/dbraw/zinc/48/72/36/651487236.db2.gz IBICYWQBTOFARA-UHFFFAOYSA-N -1 1 393.437 1.297 20 30 GDEDMM COCCN(CCC#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000589431586 652114279 /nfs/dbraw/zinc/11/42/79/652114279.db2.gz MKIMDDYHSSVUFZ-UHFFFAOYSA-N -1 1 394.280 1.660 20 30 GDEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594576274 652319409 /nfs/dbraw/zinc/31/94/09/652319409.db2.gz DDKAUFZWMKIVAR-AWEZNQCLSA-N -1 1 378.809 1.863 20 30 GDEDMM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000828395379 654865084 /nfs/dbraw/zinc/86/50/84/654865084.db2.gz MLBUGCSCURMPQQ-JTQLQIEISA-N -1 1 377.821 1.708 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)OCC2CC2)cc1Br ZINC000830348602 654941271 /nfs/dbraw/zinc/94/12/71/654941271.db2.gz JRZBDUHAWZSGFG-UHFFFAOYSA-N -1 1 391.218 1.691 20 30 GDEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ccc(C(N)=O)nn1 ZINC000756835782 655028470 /nfs/dbraw/zinc/02/84/70/655028470.db2.gz RDQGSFOVKOSHQC-UHFFFAOYSA-N -1 1 375.186 1.415 20 30 GDEDMM NS(=O)(=O)c1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000757562293 655040831 /nfs/dbraw/zinc/04/08/31/655040831.db2.gz YWUUTCPCDZKFFY-UHFFFAOYSA-N -1 1 386.227 1.954 20 30 GDEDMM COCCN1C(=S)[N-]C(=O)C(=C(C)Nc2sc(C)c(C)c2C#N)C1=O ZINC000814390301 655264701 /nfs/dbraw/zinc/26/47/01/655264701.db2.gz WNSQXGZTNQHUSN-FMIVXFBMSA-N -1 1 378.479 1.812 20 30 GDEDMM COc1ccc(Cn2cnc(-c3nn[n-]n3)c2C#N)c(Br)c1OC ZINC000826208330 655497114 /nfs/dbraw/zinc/49/71/14/655497114.db2.gz FOEBCQUNFLHWLG-UHFFFAOYSA-N -1 1 390.201 1.763 20 30 GDEDMM C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000848962839 655510715 /nfs/dbraw/zinc/51/07/15/655510715.db2.gz AGUYPDXVRJAMMG-CYBMUJFWSA-N -1 1 393.918 1.506 20 30 GDEDMM CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848964437 655511637 /nfs/dbraw/zinc/51/16/37/655511637.db2.gz REDUMZZCCZMZOK-UHFFFAOYSA-N -1 1 394.906 1.336 20 30 GDEDMM COC(=O)N(C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000849470778 655541627 /nfs/dbraw/zinc/54/16/27/655541627.db2.gz UOJVCRXHAUXEPZ-UHFFFAOYSA-N -1 1 394.222 1.436 20 30 GDEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)OCC ZINC000867588464 656088964 /nfs/dbraw/zinc/08/89/64/656088964.db2.gz DOMWTCCLYNDCQT-QMMMGPOBSA-N -1 1 389.783 1.792 20 30 GDEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)OCC ZINC000867592345 656090167 /nfs/dbraw/zinc/09/01/67/656090167.db2.gz ZBUBKJWKTPPQJV-AWEZNQCLSA-N -1 1 392.905 1.381 20 30 GDEDMM CSc1[nH]c(=O)c(C(=O)N(CCC#N)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC001571275117 945702354 /nfs/dbraw/zinc/70/23/54/945702354.db2.gz PRLLCGWFIPFPCD-UHFFFAOYSA-N -1 1 387.347 1.607 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571312360 946489365 /nfs/dbraw/zinc/48/93/65/946489365.db2.gz ALWWDQYNQZMXIA-AULYBMBSSA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571312360 946489374 /nfs/dbraw/zinc/48/93/74/946489374.db2.gz ALWWDQYNQZMXIA-AULYBMBSSA-N -1 1 392.427 1.257 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312424 946491168 /nfs/dbraw/zinc/49/11/68/946491168.db2.gz COWRYNZGAKGJGM-GFCCVEGCSA-N -1 1 392.427 1.129 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571312424 946491175 /nfs/dbraw/zinc/49/11/75/946491175.db2.gz COWRYNZGAKGJGM-GFCCVEGCSA-N -1 1 392.427 1.129 20 30 GDEDMM C#CCN(C(=O)[C@@H](C)CCC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573283617 946719628 /nfs/dbraw/zinc/71/96/28/946719628.db2.gz UIPNZDNPSYCWMO-AWEZNQCLSA-N -1 1 382.472 1.524 20 30 GDEDMM C#CCN(C(=O)[C@@H](C)CCC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573283617 946719640 /nfs/dbraw/zinc/71/96/40/946719640.db2.gz UIPNZDNPSYCWMO-AWEZNQCLSA-N -1 1 382.472 1.524 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573284300 946743368 /nfs/dbraw/zinc/74/33/68/946743368.db2.gz YJTBAJPVOPUJLX-HNNXBMFYSA-N -1 1 382.472 1.891 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573284300 946743377 /nfs/dbraw/zinc/74/33/77/946743377.db2.gz YJTBAJPVOPUJLX-HNNXBMFYSA-N -1 1 382.472 1.891 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C)nc1 ZINC001573286895 946820640 /nfs/dbraw/zinc/82/06/40/946820640.db2.gz CASBMPFVIWVKBB-OAHLLOKOSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)nc1 ZINC001573286895 946820651 /nfs/dbraw/zinc/82/06/51/946820651.db2.gz CASBMPFVIWVKBB-OAHLLOKOSA-N -1 1 391.439 1.290 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573287488 946839071 /nfs/dbraw/zinc/83/90/71/946839071.db2.gz CHPDKOLRJZNVHI-CYBMUJFWSA-N -1 1 392.423 1.147 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573287488 946839083 /nfs/dbraw/zinc/83/90/83/946839083.db2.gz CHPDKOLRJZNVHI-CYBMUJFWSA-N -1 1 392.423 1.147 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573289846 946894747 /nfs/dbraw/zinc/89/47/47/946894747.db2.gz DWHKQSCFBSBNOK-SAZUREKKSA-N -1 1 388.435 1.187 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573289846 946894756 /nfs/dbraw/zinc/89/47/56/946894756.db2.gz DWHKQSCFBSBNOK-SAZUREKKSA-N -1 1 388.435 1.187 20 30 GDEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001573292533 946936603 /nfs/dbraw/zinc/93/66/03/946936603.db2.gz XITRCDZNDOPWCV-JTQLQIEISA-N -1 1 382.453 1.628 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)OCC ZINC001573293547 946961072 /nfs/dbraw/zinc/96/10/72/946961072.db2.gz ZYNCEJRQKHXVBU-UKRRQHHQSA-N -1 1 386.460 1.065 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)OCC ZINC001573293547 946961078 /nfs/dbraw/zinc/96/10/78/946961078.db2.gz ZYNCEJRQKHXVBU-UKRRQHHQSA-N -1 1 386.460 1.065 20 30 GDEDMM CC(C)N(CCN(C)c1snc(Cl)c1-c1nnn[n-]1)C(=O)[C@H](C)C#N ZINC001573562349 946974347 /nfs/dbraw/zinc/97/43/47/946974347.db2.gz SPSBXNDHCGSMRF-SECBINFHSA-N -1 1 382.881 1.809 20 30 GDEDMM CC(C)N(CCN(C)c1snc(Cl)c1-c1nn[n-]n1)C(=O)[C@H](C)C#N ZINC001573562349 946974353 /nfs/dbraw/zinc/97/43/53/946974353.db2.gz SPSBXNDHCGSMRF-SECBINFHSA-N -1 1 382.881 1.809 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001573564826 946998551 /nfs/dbraw/zinc/99/85/51/946998551.db2.gz LNERMAYGLLQQMT-TZMCWYRMSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001573564826 946998565 /nfs/dbraw/zinc/99/85/65/946998565.db2.gz LNERMAYGLLQQMT-TZMCWYRMSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573567542 947047023 /nfs/dbraw/zinc/04/70/23/947047023.db2.gz OENARTZSMVRKHR-IUCAKERBSA-N -1 1 380.865 1.929 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573567542 947047029 /nfs/dbraw/zinc/04/70/29/947047029.db2.gz OENARTZSMVRKHR-IUCAKERBSA-N -1 1 380.865 1.929 20 30 GDEDMM C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)CC1 ZINC001573296657 947052044 /nfs/dbraw/zinc/05/20/44/947052044.db2.gz VOYIGASPFDIPFK-YWZLYKJASA-N -1 1 394.483 1.878 20 30 GDEDMM C=C1CCC(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)CC1 ZINC001573296657 947052060 /nfs/dbraw/zinc/05/20/60/947052060.db2.gz VOYIGASPFDIPFK-YWZLYKJASA-N -1 1 394.483 1.878 20 30 GDEDMM C=C[C@@H](C(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573299681 947099525 /nfs/dbraw/zinc/09/95/25/947099525.db2.gz GOXLHFDVBPHWAA-OAHLLOKOSA-N -1 1 378.440 1.569 20 30 GDEDMM C=C[C@@H](C(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573299681 947099532 /nfs/dbraw/zinc/09/95/32/947099532.db2.gz GOXLHFDVBPHWAA-OAHLLOKOSA-N -1 1 378.440 1.569 20 30 GDEDMM C=C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300193 947107650 /nfs/dbraw/zinc/10/76/50/947107650.db2.gz JAIFHHOTNXHWSU-JKSUJKDBSA-N -1 1 390.451 1.664 20 30 GDEDMM C=C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300193 947107653 /nfs/dbraw/zinc/10/76/53/947107653.db2.gz JAIFHHOTNXHWSU-JKSUJKDBSA-N -1 1 390.451 1.664 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573301250 947132111 /nfs/dbraw/zinc/13/21/11/947132111.db2.gz VNHLOJVRVBULRK-KDURUIRLSA-N -1 1 382.472 1.544 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573301250 947132116 /nfs/dbraw/zinc/13/21/16/947132116.db2.gz VNHLOJVRVBULRK-KDURUIRLSA-N -1 1 382.472 1.544 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573306890 947175594 /nfs/dbraw/zinc/17/55/94/947175594.db2.gz NVENMFDNZJJVMB-TYILLQQXSA-N -1 1 382.472 1.544 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573306890 947175602 /nfs/dbraw/zinc/17/56/02/947175602.db2.gz NVENMFDNZJJVMB-TYILLQQXSA-N -1 1 382.472 1.544 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573309344 947196637 /nfs/dbraw/zinc/19/66/37/947196637.db2.gz HFOXCEWBQDTUSX-RMLUDKJBSA-N -1 1 385.881 1.610 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573309344 947196642 /nfs/dbraw/zinc/19/66/42/947196642.db2.gz HFOXCEWBQDTUSX-RMLUDKJBSA-N -1 1 385.881 1.610 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573587398 947308010 /nfs/dbraw/zinc/30/80/10/947308010.db2.gz ZWUBKJVJSIMNHT-CIUDSAMLSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573587398 947308021 /nfs/dbraw/zinc/30/80/21/947308021.db2.gz ZWUBKJVJSIMNHT-CIUDSAMLSA-N -1 1 380.865 1.976 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573320350 947348729 /nfs/dbraw/zinc/34/87/29/947348729.db2.gz WLYIFZFQWNLKLJ-UONOGXRCSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573320350 947348733 /nfs/dbraw/zinc/34/87/33/947348733.db2.gz WLYIFZFQWNLKLJ-UONOGXRCSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CCCC(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573327937 947398444 /nfs/dbraw/zinc/39/84/44/947398444.db2.gz OMTNODXLPDJRHE-MRXNPFEDSA-N -1 1 390.451 1.670 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573329794 947426112 /nfs/dbraw/zinc/42/61/12/947426112.db2.gz PKDVACVFMNOLHJ-LSDHHAIUSA-N -1 1 382.472 1.973 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573329794 947426119 /nfs/dbraw/zinc/42/61/19/947426119.db2.gz PKDVACVFMNOLHJ-LSDHHAIUSA-N -1 1 382.472 1.973 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573336212 947503628 /nfs/dbraw/zinc/50/36/28/947503628.db2.gz LFIWTJGTURBFAX-CMPLNLGQSA-N -1 1 379.490 1.554 20 30 GDEDMM C=CCCOCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336590 947507945 /nfs/dbraw/zinc/50/79/45/947507945.db2.gz PNGNFDLZOQLDCO-AWEZNQCLSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCCOCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336590 947507954 /nfs/dbraw/zinc/50/79/54/947507954.db2.gz PNGNFDLZOQLDCO-AWEZNQCLSA-N -1 1 386.460 1.290 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573337081 947514407 /nfs/dbraw/zinc/51/44/07/947514407.db2.gz UBWSJYCEZHMFGC-ZIAGYGMSSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573337081 947514415 /nfs/dbraw/zinc/51/44/15/947514415.db2.gz UBWSJYCEZHMFGC-ZIAGYGMSSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573337052 947514426 /nfs/dbraw/zinc/51/44/26/947514426.db2.gz TUMKKNWHIKRYGG-KBPBESRZSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573337052 947514431 /nfs/dbraw/zinc/51/44/31/947514431.db2.gz TUMKKNWHIKRYGG-KBPBESRZSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCOCC(=O)NCCN(c1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573344190 947569599 /nfs/dbraw/zinc/56/95/99/947569599.db2.gz YUQRJBIMGPHORA-UHFFFAOYSA-N -1 1 383.865 1.264 20 30 GDEDMM C=CCOCC(=O)NCCN(c1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573344190 947569611 /nfs/dbraw/zinc/56/96/11/947569611.db2.gz YUQRJBIMGPHORA-UHFFFAOYSA-N -1 1 383.865 1.264 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573351536 947615123 /nfs/dbraw/zinc/61/51/23/947615123.db2.gz RPZIIJGPPCHSRE-AEJSXWLSSA-N -1 1 397.892 1.509 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573351536 947615128 /nfs/dbraw/zinc/61/51/28/947615128.db2.gz RPZIIJGPPCHSRE-AEJSXWLSSA-N -1 1 397.892 1.509 20 30 GDEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573359296 947683620 /nfs/dbraw/zinc/68/36/20/947683620.db2.gz YQOVIGIIUZYYJJ-QWRGUYRKSA-N -1 1 391.888 1.960 20 30 GDEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573359296 947683624 /nfs/dbraw/zinc/68/36/24/947683624.db2.gz YQOVIGIIUZYYJJ-QWRGUYRKSA-N -1 1 391.888 1.960 20 30 GDEDMM Cc1cc(N(CCC#N)C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)ccc1Cl ZINC000826269427 947777500 /nfs/dbraw/zinc/77/75/00/947777500.db2.gz LOICGQKCALTMCR-UHFFFAOYSA-N -1 1 395.814 1.844 20 30 GDEDMM Cc1cc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)n(-c2ccc(C)cc2)n1 ZINC000826281510 947807688 /nfs/dbraw/zinc/80/76/88/947807688.db2.gz VYDSDESDLKWXPS-UHFFFAOYSA-N -1 1 388.395 1.376 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826383005 948179401 /nfs/dbraw/zinc/17/94/01/948179401.db2.gz FXXIJUIHGVAKHW-UHFFFAOYSA-N -1 1 378.312 1.129 20 30 GDEDMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574162638 950392645 /nfs/dbraw/zinc/39/26/45/950392645.db2.gz GCYKQZSRKHBFJP-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM 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N#Cc1c[nH]c(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)c1 ZINC001571294856 946147587 /nfs/dbraw/zinc/14/75/87/946147587.db2.gz NTUXXEDVIOGALJ-QMMMGPOBSA-N -1 1 389.832 1.503 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)c1 ZINC001571294856 946147592 /nfs/dbraw/zinc/14/75/92/946147592.db2.gz NTUXXEDVIOGALJ-QMMMGPOBSA-N -1 1 389.832 1.503 20 30 GDEDMM CCc1nc(NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571312924 946505132 /nfs/dbraw/zinc/50/51/32/946505132.db2.gz MDYWSEYGQIFGDU-UHFFFAOYSA-N -1 1 392.427 1.039 20 30 GDEDMM CCc1nc(NCC2CC(NC(=O)c3c[nH]c(C#N)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571312924 946505139 /nfs/dbraw/zinc/50/51/39/946505139.db2.gz MDYWSEYGQIFGDU-UHFFFAOYSA-N -1 1 392.427 1.039 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573281674 946680001 /nfs/dbraw/zinc/68/00/01/946680001.db2.gz AMMFPXCKEQMNOO-HNNXBMFYSA-N -1 1 382.472 1.716 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573281674 946680007 /nfs/dbraw/zinc/68/00/07/946680007.db2.gz AMMFPXCKEQMNOO-HNNXBMFYSA-N -1 1 382.472 1.716 20 30 GDEDMM C#CCCCCCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573283075 946707334 /nfs/dbraw/zinc/70/73/34/946707334.db2.gz RLAGATAEYMJIPB-LSDHHAIUSA-N -1 1 382.472 1.359 20 30 GDEDMM C#CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573284170 946737744 /nfs/dbraw/zinc/73/77/44/946737744.db2.gz UAIVLCGRAHRZFF-LBPRGKRZSA-N -1 1 390.398 1.038 20 30 GDEDMM C#CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573284170 946737748 /nfs/dbraw/zinc/73/77/48/946737748.db2.gz UAIVLCGRAHRZFF-LBPRGKRZSA-N -1 1 390.398 1.038 20 30 GDEDMM C#CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573284169 946738831 /nfs/dbraw/zinc/73/88/31/946738831.db2.gz UAIVLCGRAHRZFF-GFCCVEGCSA-N -1 1 390.398 1.038 20 30 GDEDMM C#CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573284169 946738837 /nfs/dbraw/zinc/73/88/37/946738837.db2.gz UAIVLCGRAHRZFF-GFCCVEGCSA-N -1 1 390.398 1.038 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573565322 947005499 /nfs/dbraw/zinc/00/54/99/947005499.db2.gz QALVYUUBUMEFDC-LBPRGKRZSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565322 947005513 /nfs/dbraw/zinc/00/55/13/947005513.db2.gz QALVYUUBUMEFDC-LBPRGKRZSA-N -1 1 381.444 1.024 20 30 GDEDMM C=C1CCC(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CC1 ZINC001573295272 947012026 /nfs/dbraw/zinc/01/20/26/947012026.db2.gz CGOMTYCFQFJGSF-CVEARBPZSA-N -1 1 394.483 1.688 20 30 GDEDMM C=C1CCC(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CC1 ZINC001573295272 947012035 /nfs/dbraw/zinc/01/20/35/947012035.db2.gz CGOMTYCFQFJGSF-CVEARBPZSA-N -1 1 394.483 1.688 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573567586 947048737 /nfs/dbraw/zinc/04/87/37/947048737.db2.gz PBGOCTKCHFZFFK-SCLBCKFNSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567586 947048747 /nfs/dbraw/zinc/04/87/47/947048747.db2.gz PBGOCTKCHFZFFK-SCLBCKFNSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573568084 947066017 /nfs/dbraw/zinc/06/60/17/947066017.db2.gz XNXJTJVNYBHRPJ-BDAKNGLRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573568084 947066030 /nfs/dbraw/zinc/06/60/30/947066030.db2.gz XNXJTJVNYBHRPJ-BDAKNGLRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001573569844 947078496 /nfs/dbraw/zinc/07/84/96/947078496.db2.gz GHRQPFAHMKXJAM-CEFVDNRUSA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001573569844 947078507 /nfs/dbraw/zinc/07/85/07/947078507.db2.gz GHRQPFAHMKXJAM-CEFVDNRUSA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573570024 947080338 /nfs/dbraw/zinc/08/03/38/947080338.db2.gz IEMSIGMCSUTMBD-KXUCPTDWSA-N -1 1 392.876 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573570834 947094460 /nfs/dbraw/zinc/09/44/60/947094460.db2.gz UYHZQDSWZKEJQI-HLTSFMKQSA-N -1 1 378.849 1.031 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001573570834 947094473 /nfs/dbraw/zinc/09/44/73/947094473.db2.gz UYHZQDSWZKEJQI-HLTSFMKQSA-N -1 1 378.849 1.031 20 30 GDEDMM C=C[C@@H](C(=O)N(C)CCNc1nc(C)cc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573300704 947120024 /nfs/dbraw/zinc/12/00/24/947120024.db2.gz MSYLVWWUFRHPID-OAHLLOKOSA-N -1 1 378.440 1.805 20 30 GDEDMM C=C[C@@H](C(=O)N(C)CCNc1nc(C)cc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573300704 947120036 /nfs/dbraw/zinc/12/00/36/947120036.db2.gz MSYLVWWUFRHPID-OAHLLOKOSA-N -1 1 378.440 1.805 20 30 GDEDMM CCCCOC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825290628 947143464 /nfs/dbraw/zinc/14/34/64/947143464.db2.gz BVOKOZQOXWSHEC-UHFFFAOYSA-N -1 1 394.395 1.530 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573305166 947149569 /nfs/dbraw/zinc/14/95/69/947149569.db2.gz MXVOWMNKODPUEQ-AWEZNQCLSA-N -1 1 384.488 1.934 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573305166 947149575 /nfs/dbraw/zinc/14/95/75/947149575.db2.gz MXVOWMNKODPUEQ-AWEZNQCLSA-N -1 1 384.488 1.934 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1OC ZINC001573305470 947154217 /nfs/dbraw/zinc/15/42/17/947154217.db2.gz CIFKKKBRGHBINE-VXGBXAGGSA-N -1 1 391.501 1.554 20 30 GDEDMM C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573306667 947174284 /nfs/dbraw/zinc/17/42/84/947174284.db2.gz LZINRJHPBOMDNU-ZSOGYDGISA-N -1 1 382.472 1.366 20 30 GDEDMM C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573306667 947174288 /nfs/dbraw/zinc/17/42/88/947174288.db2.gz LZINRJHPBOMDNU-ZSOGYDGISA-N -1 1 382.472 1.366 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573307054 947176395 /nfs/dbraw/zinc/17/63/95/947176395.db2.gz OHJCBQOGGDTUDZ-RTBURBONSA-N -1 1 384.488 1.982 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573582617 947193979 /nfs/dbraw/zinc/19/39/79/947193979.db2.gz FQBVODINGVRBBN-IUCAKERBSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573582617 947193983 /nfs/dbraw/zinc/19/39/83/947193983.db2.gz FQBVODINGVRBBN-IUCAKERBSA-N -1 1 380.865 1.469 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573309491 947199666 /nfs/dbraw/zinc/19/96/66/947199666.db2.gz JLJKXLDHBNUDAK-RTHLEPHNSA-N -1 1 385.881 1.245 20 30 GDEDMM 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Cc1nn2c(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)nc2s1 ZINC000765580586 655243533 /nfs/dbraw/zinc/24/35/33/655243533.db2.gz KSYDPWDLYYQBSP-UHFFFAOYSA-N -1 1 380.411 1.628 20 30 GDEDMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C1N=CC=CC1=O ZINC000767082199 655283769 /nfs/dbraw/zinc/28/37/69/655283769.db2.gz YRKYINULNNJCGY-RAXLEYEMSA-N -1 1 391.236 1.193 20 30 GDEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(=O)O1 ZINC000841519925 655335722 /nfs/dbraw/zinc/33/57/22/655335722.db2.gz FKMLEQLNUNKTPV-LHLIQPBNSA-N -1 1 377.191 1.442 20 30 GDEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(Br)o1 ZINC000841574593 655350792 /nfs/dbraw/zinc/35/07/92/655350792.db2.gz DZUGTLWOVFNDES-UHFFFAOYSA-N -1 1 377.216 1.801 20 30 GDEDMM N#Cc1cc(Br)ccc1N1CC(C(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000843864601 655402199 /nfs/dbraw/zinc/40/21/99/655402199.db2.gz YZWLZSHWCYHQIO-LLVKDONJSA-N -1 1 380.242 1.841 20 30 GDEDMM CC(C)(C)C[C@H](O)[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000821247505 655424991 /nfs/dbraw/zinc/42/49/91/655424991.db2.gz HVVPJJLANBLPOX-NWDGAFQWSA-N -1 1 376.381 1.365 20 30 GDEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)[C@@H]1CCCO1 ZINC000848449870 655490952 /nfs/dbraw/zinc/49/09/52/655490952.db2.gz ZVDVMIDDYUSEAL-RYUDHWBXSA-N -1 1 375.805 1.725 20 30 GDEDMM Cc1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000826256565 655497294 /nfs/dbraw/zinc/49/72/94/655497294.db2.gz PPWJDKMWEFCUJV-UHFFFAOYSA-N -1 1 387.201 1.645 20 30 GDEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000848962100 655509691 /nfs/dbraw/zinc/50/96/91/655509691.db2.gz ZKBNEDHVQHDPLZ-UHFFFAOYSA-N -1 1 385.511 1.376 20 30 GDEDMM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000848965201 655512265 /nfs/dbraw/zinc/51/22/65/655512265.db2.gz KXEPHEOENZMLCH-JTQLQIEISA-N -1 1 399.416 1.173 20 30 GDEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC#CCO)c(F)cc1Br ZINC000867467138 656066585 /nfs/dbraw/zinc/06/65/85/656066585.db2.gz HJFNEOWCGAVFHW-UHFFFAOYSA-N -1 1 394.218 1.039 20 30 GDEDMM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001571274144 945695031 /nfs/dbraw/zinc/69/50/31/945695031.db2.gz CMZWJJOUGPTBPC-UHFFFAOYSA-N -1 1 387.310 1.150 20 30 GDEDMM Cc1ccc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)cc1 ZINC001571293693 946112916 /nfs/dbraw/zinc/11/29/16/946112916.db2.gz PLHJWSBQYYBGDG-UHFFFAOYSA-N -1 1 389.423 1.554 20 30 GDEDMM Cc1ccc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)cc1 ZINC001571293693 946112927 /nfs/dbraw/zinc/11/29/27/946112927.db2.gz PLHJWSBQYYBGDG-UHFFFAOYSA-N -1 1 389.423 1.554 20 30 GDEDMM N#Cc1ncc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)nc1-c1nn[n-]n1 ZINC001571294836 946146239 /nfs/dbraw/zinc/14/62/39/946146239.db2.gz NHGURSHDOXPJOH-UHFFFAOYSA-N -1 1 390.333 1.585 20 30 GDEDMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571312533 946493367 /nfs/dbraw/zinc/49/33/67/946493367.db2.gz HAXYNPMZEVOCIR-GFCCVEGCSA-N -1 1 392.427 1.136 20 30 GDEDMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571312533 946493379 /nfs/dbraw/zinc/49/33/79/946493379.db2.gz HAXYNPMZEVOCIR-GFCCVEGCSA-N -1 1 392.427 1.136 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571312944 946506351 /nfs/dbraw/zinc/50/63/51/946506351.db2.gz MKSQZRVKKOCPLD-OLZOCXBDSA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571312944 946506355 /nfs/dbraw/zinc/50/63/55/946506355.db2.gz MKSQZRVKKOCPLD-OLZOCXBDSA-N -1 1 392.427 1.257 20 30 GDEDMM C#C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001573279367 946639537 /nfs/dbraw/zinc/63/95/37/946639537.db2.gz GDTPMGDJSCAAKP-JTQLQIEISA-N -1 1 396.270 1.806 20 30 GDEDMM C#C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001573279367 946639543 /nfs/dbraw/zinc/63/95/43/946639543.db2.gz GDTPMGDJSCAAKP-JTQLQIEISA-N -1 1 396.270 1.806 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001573282796 946696973 /nfs/dbraw/zinc/69/69/73/946696973.db2.gz OCMZCIOCIWLJFL-CABCVRRESA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001573282796 946696982 /nfs/dbraw/zinc/69/69/82/946696982.db2.gz OCMZCIOCIWLJFL-CABCVRRESA-N -1 1 382.472 1.714 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573283614 946719880 /nfs/dbraw/zinc/71/98/80/946719880.db2.gz KWYXRDZZXACTDT-CABCVRRESA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573283614 946719890 /nfs/dbraw/zinc/71/98/90/946719890.db2.gz KWYXRDZZXACTDT-CABCVRRESA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCOCCC(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573286579 946812182 /nfs/dbraw/zinc/81/21/82/946812182.db2.gz FJHSNTBEVLUXPT-VIFPVBQESA-N -1 1 383.865 1.323 20 30 GDEDMM C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573288127 946857136 /nfs/dbraw/zinc/85/71/36/946857136.db2.gz OGUJTBNRCKDTQC-FZNQNYSPSA-N -1 1 388.435 1.567 20 30 GDEDMM C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573288127 946857155 /nfs/dbraw/zinc/85/71/55/946857155.db2.gz OGUJTBNRCKDTQC-FZNQNYSPSA-N -1 1 388.435 1.567 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573289999 946899112 /nfs/dbraw/zinc/89/91/12/946899112.db2.gz SPGBZYGIHVGJFX-HNNXBMFYSA-N -1 1 388.435 1.237 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573289999 946899122 /nfs/dbraw/zinc/89/91/22/946899122.db2.gz SPGBZYGIHVGJFX-HNNXBMFYSA-N -1 1 388.435 1.237 20 30 GDEDMM CC(C)N(CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)[C@H](C)C#N ZINC001573560390 946951261 /nfs/dbraw/zinc/95/12/61/946951261.db2.gz BSCJRHJTITXFOM-SECBINFHSA-N -1 1 382.881 1.809 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1)OCC ZINC001573293366 946956116 /nfs/dbraw/zinc/95/61/16/946956116.db2.gz UDQVXAAKSROQKZ-ZDUSSCGKSA-N -1 1 391.501 1.652 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 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/nfs/dbraw/zinc/01/84/43/947018443.db2.gz DMGIBEOHERLURS-ZFWWWQNUSA-N -1 1 382.472 1.877 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567839 947057020 /nfs/dbraw/zinc/05/70/20/947057020.db2.gz UBQXLXQUTBVQTF-RKDXNWHRSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@]2(C)C1 ZINC001573569845 947079707 /nfs/dbraw/zinc/07/97/07/947079707.db2.gz GHRQPFAHMKXJAM-KOSWAMCASA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@]2(C)C1 ZINC001573569845 947079719 /nfs/dbraw/zinc/07/97/19/947079719.db2.gz GHRQPFAHMKXJAM-KOSWAMCASA-N -1 1 392.876 1.421 20 30 GDEDMM C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)OCC ZINC001573299595 947097293 /nfs/dbraw/zinc/09/72/93/947097293.db2.gz KHSFJMXSFYLSKE-IPYPFGDCSA-N -1 1 386.460 1.111 20 30 GDEDMM C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)OCC ZINC001573299595 947097304 /nfs/dbraw/zinc/09/73/04/947097304.db2.gz KHSFJMXSFYLSKE-IPYPFGDCSA-N -1 1 386.460 1.111 20 30 GDEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001573572276 947110587 /nfs/dbraw/zinc/11/05/87/947110587.db2.gz GNFNHDPORXGBJT-ZBSJOJNVSA-N -1 1 392.876 1.976 20 30 GDEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001573572276 947110593 /nfs/dbraw/zinc/11/05/93/947110593.db2.gz GNFNHDPORXGBJT-ZBSJOJNVSA-N -1 1 392.876 1.976 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573305150 947150426 /nfs/dbraw/zinc/15/04/26/947150426.db2.gz AXUMPNHWDNCBSU-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573305150 947150436 /nfs/dbraw/zinc/15/04/36/947150436.db2.gz AXUMPNHWDNCBSU-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C[C@H](C#N)C(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001573577380 947165776 /nfs/dbraw/zinc/16/57/76/947165776.db2.gz OTSKWXJYYGNRAA-MRVPVSSYSA-N -1 1 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C=CCC(C)(C)C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573318328 947305624 /nfs/dbraw/zinc/30/56/24/947305624.db2.gz AMXGLHJKRJIFPT-CQSZACIVSA-N -1 1 384.488 1.722 20 30 GDEDMM C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573319400 947332363 /nfs/dbraw/zinc/33/23/63/947332363.db2.gz NDRBQHVEBIXEJS-UKRRQHHQSA-N -1 1 382.472 1.638 20 30 GDEDMM C=CC[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573320007 947341648 /nfs/dbraw/zinc/34/16/48/947341648.db2.gz TVNYRLRQXMJYMH-DZGCQCFKSA-N -1 1 378.440 1.355 20 30 GDEDMM C=CCC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)CCC1 ZINC001573325660 947362613 /nfs/dbraw/zinc/36/26/13/947362613.db2.gz FSSULCCSDWJXMM-KGLIPLIRSA-N -1 1 382.472 1.877 20 30 GDEDMM C=CCC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)CCC1 ZINC001573325660 947362625 /nfs/dbraw/zinc/36/26/25/947362625.db2.gz FSSULCCSDWJXMM-KGLIPLIRSA-N -1 1 382.472 1.877 20 30 GDEDMM C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCCC1 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OYWGXSQAVCWOKW-QGZVFWFLSA-N -1 1 390.451 1.803 20 30 GDEDMM CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C#N)C2(SC)CC2)cc1-c1nn[n-]n1 ZINC001571305641 946368882 /nfs/dbraw/zinc/36/88/82/946368882.db2.gz IFFKYZKOIMBAGR-SNVBAGLBSA-N -1 1 391.482 1.549 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC001571313419 946519537 /nfs/dbraw/zinc/51/95/37/946519537.db2.gz QUEWKQVIFXXPFE-RYUDHWBXSA-N -1 1 392.427 1.270 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC001571313419 946519544 /nfs/dbraw/zinc/51/95/44/946519544.db2.gz QUEWKQVIFXXPFE-RYUDHWBXSA-N -1 1 392.427 1.270 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571313435 946522292 /nfs/dbraw/zinc/52/22/92/946522292.db2.gz QZCRZNLCPGVKBT-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571313435 946522295 /nfs/dbraw/zinc/52/22/95/946522295.db2.gz QZCRZNLCPGVKBT-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001571313950 946538165 /nfs/dbraw/zinc/53/81/65/946538165.db2.gz YAVRKIDCTIZYRC-BXUZGUMPSA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571313950 946538174 /nfs/dbraw/zinc/53/81/74/946538174.db2.gz YAVRKIDCTIZYRC-BXUZGUMPSA-N -1 1 392.427 1.257 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573283070 946707069 /nfs/dbraw/zinc/70/70/69/946707069.db2.gz RLAGATAEYMJIPB-GJZGRUSLSA-N -1 1 382.472 1.359 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)nc1 ZINC001573287260 946833677 /nfs/dbraw/zinc/83/36/77/946833677.db2.gz GXDJBYAOUDAEDH-JSGCOSHPSA-N -1 1 389.423 1.138 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)nc1 ZINC001573287260 946833689 /nfs/dbraw/zinc/83/36/89/946833689.db2.gz GXDJBYAOUDAEDH-JSGCOSHPSA-N -1 1 389.423 1.138 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573289719 946892731 /nfs/dbraw/zinc/89/27/31/946892731.db2.gz PKWJLGIDPZRHMO-CQSZACIVSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573289719 946892745 /nfs/dbraw/zinc/89/27/45/946892745.db2.gz PKWJLGIDPZRHMO-CQSZACIVSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1CC ZINC001573290559 946908554 /nfs/dbraw/zinc/90/85/54/946908554.db2.gz ZFQUMYRNUMUQNH-QWHCGFSZSA-N -1 1 389.485 1.145 20 30 GDEDMM C#Cc1cncc(C(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001573292400 946933828 /nfs/dbraw/zinc/93/38/28/946933828.db2.gz VLBQBCZFXVXCCZ-UHFFFAOYSA-N -1 1 389.423 1.140 20 30 GDEDMM C#Cc1cncc(C(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001573292400 946933840 /nfs/dbraw/zinc/93/38/40/946933840.db2.gz VLBQBCZFXVXCCZ-UHFFFAOYSA-N -1 1 389.423 1.140 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1)OCC ZINC001573293365 946956095 /nfs/dbraw/zinc/95/60/95/946956095.db2.gz UDQVXAAKSROQKZ-CYBMUJFWSA-N -1 1 391.501 1.652 20 30 GDEDMM C[C@@H](C#N)C(=O)N(C)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573562514 946975419 /nfs/dbraw/zinc/97/54/19/946975419.db2.gz UOKKVHJMSJFKHM-IONNQARKSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@@H](C#N)C(=O)N(C)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573562514 946975429 /nfs/dbraw/zinc/97/54/29/946975429.db2.gz UOKKVHJMSJFKHM-IONNQARKSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@@H](CN(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565532 947009563 /nfs/dbraw/zinc/00/95/63/947009563.db2.gz RRVXBNPTNUVMHW-BDAKNGLRSA-N -1 1 380.865 1.421 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001573295867 947032762 /nfs/dbraw/zinc/03/27/62/947032762.db2.gz VDICPKDBFYQJQB-UFBFGSQYSA-N -1 1 379.218 1.944 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001573295867 947032773 /nfs/dbraw/zinc/03/27/73/947032773.db2.gz VDICPKDBFYQJQB-UFBFGSQYSA-N -1 1 379.218 1.944 20 30 GDEDMM C=C1CCC(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573295981 947034541 /nfs/dbraw/zinc/03/45/41/947034541.db2.gz ILWBELWGPQRYCD-OAHLLOKOSA-N -1 1 382.472 1.618 20 30 GDEDMM C=C(Cl)Cn1c(CC)nnc1N1CCc2[nH]c(=O)c(-c3nn[n-]n3)cc2C1 ZINC001573297696 947063092 /nfs/dbraw/zinc/06/30/92/947063092.db2.gz JVSOEFAYUXXZCE-UHFFFAOYSA-N -1 1 387.835 1.436 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC[C@@H]2C1 ZINC001573569616 947072537 /nfs/dbraw/zinc/07/25/37/947072537.db2.gz CONHXQVVQQKSQH-AEJSXWLSSA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC[C@@H]2C1 ZINC001573569616 947072552 /nfs/dbraw/zinc/07/25/52/947072552.db2.gz CONHXQVVQQKSQH-AEJSXWLSSA-N -1 1 392.876 1.421 20 30 GDEDMM C=C[C@H](C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573299037 947084827 /nfs/dbraw/zinc/08/48/27/947084827.db2.gz BYFNBEUTHNUQRA-ZFWWWQNUSA-N -1 1 378.440 1.933 20 30 GDEDMM C=C[C@H](C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573299037 947084840 /nfs/dbraw/zinc/08/48/40/947084840.db2.gz BYFNBEUTHNUQRA-ZFWWWQNUSA-N -1 1 378.440 1.933 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573572048 947109142 /nfs/dbraw/zinc/10/91/42/947109142.db2.gz DKCBJKDBVGBBEG-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573572048 947109148 /nfs/dbraw/zinc/10/91/48/947109148.db2.gz DKCBJKDBVGBBEG-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573572746 947114222 /nfs/dbraw/zinc/11/42/22/947114222.db2.gz JYSZIRCEQYBSFF-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573304661 947140545 /nfs/dbraw/zinc/14/05/45/947140545.db2.gz DWSRKEKCJPEMHP-KGLIPLIRSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573304661 947140551 /nfs/dbraw/zinc/14/05/51/947140551.db2.gz DWSRKEKCJPEMHP-KGLIPLIRSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573305213 947152484 /nfs/dbraw/zinc/15/24/84/947152484.db2.gz BPBCWBSCDQGKLY-RBUKOAKNSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573305213 947152492 /nfs/dbraw/zinc/15/24/92/947152492.db2.gz BPBCWBSCDQGKLY-RBUKOAKNSA-N -1 1 382.472 1.688 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573306071 947165188 /nfs/dbraw/zinc/16/51/88/947165188.db2.gz WXSKCGUGSNLMNC-MELADBBJSA-N -1 1 382.472 1.590 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573306071 947165198 /nfs/dbraw/zinc/16/51/98/947165198.db2.gz WXSKCGUGSNLMNC-MELADBBJSA-N -1 1 382.472 1.590 20 30 GDEDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000825434604 947188436 /nfs/dbraw/zinc/18/84/36/947188436.db2.gz BBYNRKPZPCDGAC-UHFFFAOYSA-N -1 1 396.411 1.001 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573309334 947195524 /nfs/dbraw/zinc/19/55/24/947195524.db2.gz GZSGYYKFARZDFS-MMPTUQATSA-N -1 1 377.474 1.265 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573582804 947195528 /nfs/dbraw/zinc/19/55/28/947195528.db2.gz HEYGBQPHXFSNSQ-LRDDRELGSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573582804 947195535 /nfs/dbraw/zinc/19/55/35/947195535.db2.gz HEYGBQPHXFSNSQ-LRDDRELGSA-N -1 1 389.423 1.036 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573309622 947204700 /nfs/dbraw/zinc/20/47/00/947204700.db2.gz LPNIESTZMIWMFE-FZKQIMNGSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573309622 947204708 /nfs/dbraw/zinc/20/47/08/947204708.db2.gz LPNIESTZMIWMFE-FZKQIMNGSA-N -1 1 388.476 1.235 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573584552 947226575 /nfs/dbraw/zinc/22/65/75/947226575.db2.gz XYSXHIBSXLTABM-DTWKUNHWSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573584552 947226584 /nfs/dbraw/zinc/22/65/84/947226584.db2.gz XYSXHIBSXLTABM-DTWKUNHWSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573584798 947236131 /nfs/dbraw/zinc/23/61/31/947236131.db2.gz FGHQNRCSBPASTA-LBPRGKRZSA-N -1 1 377.412 1.087 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573584798 947236144 /nfs/dbraw/zinc/23/61/44/947236144.db2.gz FGHQNRCSBPASTA-LBPRGKRZSA-N -1 1 377.412 1.087 20 30 GDEDMM C=CC1(CC(=O)N(C)CCCNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573315328 947247736 /nfs/dbraw/zinc/24/77/36/947247736.db2.gz LMPLVQPDUPHQGA-UHFFFAOYSA-N -1 1 384.488 1.866 20 30 GDEDMM C=C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573316081 947265414 /nfs/dbraw/zinc/26/54/14/947265414.db2.gz GITSEIXWHCXCBD-GDBMZVCRSA-N -1 1 390.451 1.712 20 30 GDEDMM C=C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573316081 947265430 /nfs/dbraw/zinc/26/54/30/947265430.db2.gz GITSEIXWHCXCBD-GDBMZVCRSA-N -1 1 390.451 1.712 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573585784 947267211 /nfs/dbraw/zinc/26/72/11/947267211.db2.gz WIFVGBGJZVOIAX-LBPRGKRZSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573585784 947267225 /nfs/dbraw/zinc/26/72/25/947267225.db2.gz WIFVGBGJZVOIAX-LBPRGKRZSA-N -1 1 377.412 1.069 20 30 GDEDMM C=CC[C@H](C(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318384 947305590 /nfs/dbraw/zinc/30/55/90/947305590.db2.gz AZTPDONNHOUULO-WLMCBFPDSA-N -1 1 390.451 1.523 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573319214 947327408 /nfs/dbraw/zinc/32/74/08/947327408.db2.gz LPMFQIXSKXCSCW-GOSISDBHSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573319214 947327420 /nfs/dbraw/zinc/32/74/20/947327420.db2.gz LPMFQIXSKXCSCW-GOSISDBHSA-N -1 1 386.460 1.024 20 30 GDEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CNc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573326628 947377773 /nfs/dbraw/zinc/37/77/73/947377773.db2.gz RTSLEUBJHSQZMP-LBPRGKRZSA-N -1 1 391.501 1.609 20 30 GDEDMM C[C@H](C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573660259 948021084 /nfs/dbraw/zinc/02/10/84/948021084.db2.gz ZCRJOXVBOLFIEK-LDYMZIIASA-N -1 1 391.317 1.311 20 30 GDEDMM C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575514889 949176421 /nfs/dbraw/zinc/17/64/21/949176421.db2.gz ZJCRSTUPTSWPCZ-NSHDSACASA-N -1 1 391.395 1.682 20 30 GDEDMM C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575514889 949176433 /nfs/dbraw/zinc/17/64/33/949176433.db2.gz ZJCRSTUPTSWPCZ-NSHDSACASA-N -1 1 391.395 1.682 20 30 GDEDMM C[C@H]1CCN(C(=O)C#CC(C)(C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177930 949863422 /nfs/dbraw/zinc/86/34/22/949863422.db2.gz DXDSCQSXGARLKK-UONOGXRCSA-N -1 1 382.472 1.025 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574983775 950239410 /nfs/dbraw/zinc/23/94/10/950239410.db2.gz RVRVXIRKESMXDQ-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574983775 950239424 /nfs/dbraw/zinc/23/94/24/950239424.db2.gz RVRVXIRKESMXDQ-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574984524 950277880 /nfs/dbraw/zinc/27/78/80/950277880.db2.gz YPAMFSXJNPUMEN-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574984524 950277905 /nfs/dbraw/zinc/27/79/05/950277905.db2.gz YPAMFSXJNPUMEN-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C[C@@H]2C1 ZINC001573856524 950389851 /nfs/dbraw/zinc/38/98/51/950389851.db2.gz BNVSYESDGSAINS-NEPJUHHUSA-N -1 1 397.443 1.222 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C[C@@H]2C1 ZINC001573856524 950389875 /nfs/dbraw/zinc/38/98/75/950389875.db2.gz BNVSYESDGSAINS-NEPJUHHUSA-N -1 1 397.443 1.222 20 30 GDEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574753388 950521720 /nfs/dbraw/zinc/52/17/20/950521720.db2.gz MBJVXRQHBRYJRZ-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574753388 950521738 /nfs/dbraw/zinc/52/17/38/950521738.db2.gz MBJVXRQHBRYJRZ-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM CCN(CC(=O)Nc1c(F)cccc1F)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001571256352 953370771 /nfs/dbraw/zinc/37/07/71/953370771.db2.gz VQVCNCFKMSCXDX-UHFFFAOYSA-N -1 1 385.338 1.272 20 30 GDEDMM CCN(CC(=O)Nc1c(F)cccc1F)c1cnc(-c2nn[n-]n2)c(C#N)n1 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/nfs/dbraw/zinc/49/52/72/946495272.db2.gz INGCGDLLLAAWSV-FZMZJTMJSA-N -1 1 392.427 1.209 20 30 GDEDMM CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571312602 946495281 /nfs/dbraw/zinc/49/52/81/946495281.db2.gz INGCGDLLLAAWSV-FZMZJTMJSA-N -1 1 392.427 1.209 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571313271 946518046 /nfs/dbraw/zinc/51/80/46/946518046.db2.gz PHMKPXMLNRAUEP-OLZOCXBDSA-N -1 1 392.427 1.318 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571313271 946518057 /nfs/dbraw/zinc/51/80/57/946518057.db2.gz PHMKPXMLNRAUEP-OLZOCXBDSA-N -1 1 392.427 1.318 20 30 GDEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(Cc3cccnc3)nn2)o1 ZINC000824142475 946601232 /nfs/dbraw/zinc/60/12/32/946601232.db2.gz UPHXAFFFCRTEKE-UHFFFAOYSA-N -1 1 393.415 1.633 20 30 GDEDMM C#CCCCC(=O)N[C@H](C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573282904 946702401 /nfs/dbraw/zinc/70/24/01/946702401.db2.gz CVPOJKWFWKBREQ-CQSZACIVSA-N -1 1 382.472 1.490 20 30 GDEDMM C#CCCCC(=O)N[C@H](C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573282904 946702407 /nfs/dbraw/zinc/70/24/07/946702407.db2.gz CVPOJKWFWKBREQ-CQSZACIVSA-N -1 1 382.472 1.490 20 30 GDEDMM C#CCCCCCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573283069 946707766 /nfs/dbraw/zinc/70/77/66/946707766.db2.gz RLAGATAEYMJIPB-CABCVRRESA-N -1 1 382.472 1.359 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573284224 946740803 /nfs/dbraw/zinc/74/08/03/946740803.db2.gz VSVKOJRGQGCHAA-LSDHHAIUSA-N -1 1 380.456 1.278 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573284224 946740815 /nfs/dbraw/zinc/74/08/15/946740815.db2.gz VSVKOJRGQGCHAA-LSDHHAIUSA-N -1 1 380.456 1.278 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573284571 946749330 /nfs/dbraw/zinc/74/93/30/946749330.db2.gz GKQMLWCDCQTADA-QLFBSQMISA-N -1 1 380.456 1.181 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573284571 946749337 /nfs/dbraw/zinc/74/93/37/946749337.db2.gz GKQMLWCDCQTADA-QLFBSQMISA-N -1 1 380.456 1.181 20 30 GDEDMM C#CCCCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573285261 946772591 /nfs/dbraw/zinc/77/25/91/946772591.db2.gz UNAMVQJNDNEYPS-ZFWWWQNUSA-N -1 1 382.472 1.665 20 30 GDEDMM C#CCCCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573285261 946772598 /nfs/dbraw/zinc/77/25/98/946772598.db2.gz UNAMVQJNDNEYPS-ZFWWWQNUSA-N -1 1 382.472 1.665 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573285401 946778513 /nfs/dbraw/zinc/77/85/13/946778513.db2.gz HHKYCESPZKZAHF-BDAKNGLRSA-N -1 1 383.865 1.322 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573285401 946778522 /nfs/dbraw/zinc/77/85/22/946778522.db2.gz HHKYCESPZKZAHF-BDAKNGLRSA-N -1 1 383.865 1.322 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573287102 946829467 /nfs/dbraw/zinc/82/94/67/946829467.db2.gz FCBYPERDGGMMBX-CVEARBPZSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573287102 946829480 /nfs/dbraw/zinc/82/94/80/946829480.db2.gz FCBYPERDGGMMBX-CVEARBPZSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573288094 946855305 /nfs/dbraw/zinc/85/53/05/946855305.db2.gz IIGRJRKEGISYDB-OAHLLOKOSA-N -1 1 388.435 1.237 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573288094 946855310 /nfs/dbraw/zinc/85/53/10/946855310.db2.gz IIGRJRKEGISYDB-OAHLLOKOSA-N -1 1 388.435 1.237 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573288592 946869386 /nfs/dbraw/zinc/86/93/86/946869386.db2.gz RYNDXDJJAMIRML-ZBFHGGJFSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573288592 946869396 /nfs/dbraw/zinc/86/93/96/946869396.db2.gz RYNDXDJJAMIRML-ZBFHGGJFSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573288897 946879447 /nfs/dbraw/zinc/87/94/47/946879447.db2.gz VFBGQPXUVZFKGE-INIZCTEOSA-N -1 1 388.435 1.379 20 30 GDEDMM C#Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573288897 946879461 /nfs/dbraw/zinc/87/94/61/946879461.db2.gz VFBGQPXUVZFKGE-INIZCTEOSA-N -1 1 388.435 1.379 20 30 GDEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001573290300 946903694 /nfs/dbraw/zinc/90/36/94/946903694.db2.gz VNQLHVCKYLRTBB-JTQLQIEISA-N -1 1 382.453 1.581 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573290730 946910258 /nfs/dbraw/zinc/91/02/58/946910258.db2.gz OHWBIIDHRVPUAC-UHFFFAOYSA-N -1 1 376.424 1.141 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573290730 946910265 /nfs/dbraw/zinc/91/02/65/946910265.db2.gz OHWBIIDHRVPUAC-UHFFFAOYSA-N -1 1 376.424 1.141 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573560815 946957786 /nfs/dbraw/zinc/95/77/86/946957786.db2.gz GJAUTIYHHPESAE-YUMQZZPRSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573560815 946957788 /nfs/dbraw/zinc/95/77/88/946957788.db2.gz GJAUTIYHHPESAE-YUMQZZPRSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@@H](C#N)C(=O)N(CCNc1nccnc1-c1nnn[n-]1)CCc1ccccc1 ZINC001573561455 946964656 /nfs/dbraw/zinc/96/46/56/946964656.db2.gz KYMQKGKDIYJBRY-AWEZNQCLSA-N -1 1 391.439 1.300 20 30 GDEDMM C[C@@H](C#N)C(=O)N(CCNc1nccnc1-c1nn[n-]n1)CCc1ccccc1 ZINC001573561455 946964663 /nfs/dbraw/zinc/96/46/63/946964663.db2.gz KYMQKGKDIYJBRY-AWEZNQCLSA-N -1 1 391.439 1.300 20 30 GDEDMM C=C(C)CCC(=O)NC[C@]1(C)CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573293952 946973279 /nfs/dbraw/zinc/97/32/79/946973279.db2.gz PGGMLUKMSGJLSD-QGZVFWFLSA-N -1 1 391.501 1.699 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573564069 946988619 /nfs/dbraw/zinc/98/86/19/946988619.db2.gz FGLJRMKKNMQLJI-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573564069 946988624 /nfs/dbraw/zinc/98/86/24/946988624.db2.gz FGLJRMKKNMQLJI-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573294937 947001288 /nfs/dbraw/zinc/00/12/88/947001288.db2.gz MKVPTZIVILMSPI-LZWOXQAQSA-N -1 1 398.471 1.287 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573294937 947001304 /nfs/dbraw/zinc/00/13/04/947001304.db2.gz MKVPTZIVILMSPI-LZWOXQAQSA-N -1 1 398.471 1.287 20 30 GDEDMM C=C1CCC(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)CC1 ZINC001573295267 947010822 /nfs/dbraw/zinc/01/08/22/947010822.db2.gz CFXBMRJXZUKZMK-QRWLVFNGSA-N -1 1 394.483 1.688 20 30 GDEDMM C=C1CCC(C(=O)N2CC[C@@H](C)C[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573295277 947011984 /nfs/dbraw/zinc/01/19/84/947011984.db2.gz CMAPBSVWQSVFOV-ZBFHGGJFSA-N -1 1 396.499 1.864 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573570795 947094843 /nfs/dbraw/zinc/09/48/43/947094843.db2.gz UGXFDXRDMLPWDV-XHNCKOQMSA-N -1 1 378.849 1.031 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573570795 947094853 /nfs/dbraw/zinc/09/48/53/947094853.db2.gz UGXFDXRDMLPWDV-XHNCKOQMSA-N -1 1 378.849 1.031 20 30 GDEDMM C=C[C@@H](C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573300590 947115750 /nfs/dbraw/zinc/11/57/50/947115750.db2.gz LNVUXRIKOZWBAF-OAHLLOKOSA-N -1 1 378.440 1.887 20 30 GDEDMM C=C[C@@H](C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573300590 947115757 /nfs/dbraw/zinc/11/57/57/947115757.db2.gz LNVUXRIKOZWBAF-OAHLLOKOSA-N -1 1 378.440 1.887 20 30 GDEDMM C=C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001573300767 947119279 /nfs/dbraw/zinc/11/92/79/947119279.db2.gz NGFBWYMCSOOHBI-CQSZACIVSA-N -1 1 376.424 1.687 20 30 GDEDMM C=C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573300767 947119285 /nfs/dbraw/zinc/11/92/85/947119285.db2.gz NGFBWYMCSOOHBI-CQSZACIVSA-N -1 1 376.424 1.687 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001573301160 947130009 /nfs/dbraw/zinc/13/00/09/947130009.db2.gz SMDQGIJMPZBVBQ-IHRRRGAJSA-N -1 1 382.472 1.908 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001573301160 947130013 /nfs/dbraw/zinc/13/00/13/947130013.db2.gz SMDQGIJMPZBVBQ-IHRRRGAJSA-N -1 1 382.472 1.908 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573581935 947184133 /nfs/dbraw/zinc/18/41/33/947184133.db2.gz APIJAHWVLBKMBV-UKRRQHHQSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573581935 947184135 /nfs/dbraw/zinc/18/41/35/947184135.db2.gz APIJAHWVLBKMBV-UKRRQHHQSA-N -1 1 391.439 1.346 20 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C=CC1(CC(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573315933 947260180 /nfs/dbraw/zinc/26/01/80/947260180.db2.gz QSJAVICXROJSBW-CYBMUJFWSA-N -1 1 386.460 1.072 20 30 GDEDMM C=CC1(CC(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573315933 947260192 /nfs/dbraw/zinc/26/01/92/947260192.db2.gz QSJAVICXROJSBW-CYBMUJFWSA-N -1 1 386.460 1.072 20 30 GDEDMM C=C[C@H](CC)CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573316280 947267877 /nfs/dbraw/zinc/26/78/77/947267877.db2.gz UXPPXUQCDHSVAO-CYBMUJFWSA-N -1 1 386.460 1.336 20 30 GDEDMM C=C[C@H](CC)CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573316280 947267885 /nfs/dbraw/zinc/26/78/85/947267885.db2.gz UXPPXUQCDHSVAO-CYBMUJFWSA-N -1 1 386.460 1.336 20 30 GDEDMM C=CCC(C)(C)C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573318876 947317410 /nfs/dbraw/zinc/31/74/10/947317410.db2.gz GNBDWKZGYYVRAT-UHFFFAOYSA-N -1 1 392.467 1.909 20 30 GDEDMM C=CCC(CC=C)C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573326150 947369296 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Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000822609419 606580018 /nfs/dbraw/zinc/58/00/18/606580018.db2.gz NOFYZKDVDUFJRN-ZFWWWQNUSA-N -1 1 377.412 1.904 20 30 GDEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000822609419 606580020 /nfs/dbraw/zinc/58/00/20/606580020.db2.gz NOFYZKDVDUFJRN-ZFWWWQNUSA-N -1 1 377.412 1.904 20 30 GDEDMM Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CC1 ZINC000822399900 606584260 /nfs/dbraw/zinc/58/42/60/606584260.db2.gz OUMCDIOOTXSFLJ-UHFFFAOYSA-N -1 1 378.400 1.020 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2cnc(Cc3ccccc3)s2)nc1-c1nn[nH]n1 ZINC000822815742 606694338 /nfs/dbraw/zinc/69/43/38/606694338.db2.gz ZWBHHKMJASTPDG-UHFFFAOYSA-N -1 1 377.393 1.761 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)cc1C#N ZINC000820804779 606778240 /nfs/dbraw/zinc/77/82/40/606778240.db2.gz ZETCQIMSWKHBJT-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)cc1C#N ZINC000820804779 606778241 /nfs/dbraw/zinc/77/82/41/606778241.db2.gz ZETCQIMSWKHBJT-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826387813 607896855 /nfs/dbraw/zinc/89/68/55/607896855.db2.gz SALXRWUHGBTDLV-UHFFFAOYSA-N -1 1 389.379 1.708 20 30 GDEDMM N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826387813 607896856 /nfs/dbraw/zinc/89/68/56/607896856.db2.gz SALXRWUHGBTDLV-UHFFFAOYSA-N -1 1 389.379 1.708 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2c[nH]c3cccc(Br)c23)nc1-c1nn[nH]n1 ZINC000826382423 608116281 /nfs/dbraw/zinc/11/62/81/608116281.db2.gz DJXPRCKDRAOKON-UHFFFAOYSA-N -1 1 398.184 1.958 20 30 GDEDMM C=CCOc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823932059 608554704 /nfs/dbraw/zinc/55/47/04/608554704.db2.gz MHVPBIKGTUMUBB-UHFFFAOYSA-N -1 1 382.428 1.442 20 30 GDEDMM C=CCOc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823932059 608554706 /nfs/dbraw/zinc/55/47/06/608554706.db2.gz MHVPBIKGTUMUBB-UHFFFAOYSA-N -1 1 382.428 1.442 20 30 GDEDMM Cc1oc(NC(=O)COC(=O)Cc2ccccc2CC#N)c(-c2nn[n-]n2)c1C ZINC000826342340 609244569 /nfs/dbraw/zinc/24/45/69/609244569.db2.gz GWHFYLGHXVZOCA-UHFFFAOYSA-N -1 1 394.391 1.867 20 30 GDEDMM CS[C@@H]1CN(C([O-])=Nc2cc(Br)cn(C)c2=O)C[C@H]1N(C)C ZINC000330717266 645402331 /nfs/dbraw/zinc/40/23/31/645402331.db2.gz UWKMJWWHHNMEOK-VXGBXAGGSA-N -1 1 389.319 1.671 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CN(c3ccc(Br)cc3)C2=O)o1 ZINC000490472989 647987419 /nfs/dbraw/zinc/98/74/19/647987419.db2.gz VJOAKBXPEUKJJX-GFCCVEGCSA-N -1 1 396.222 1.607 20 30 GDEDMM CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(F)F ZINC000581200190 651965155 /nfs/dbraw/zinc/96/51/55/651965155.db2.gz NMOIOKUAFOTVHV-JTQLQIEISA-N -1 1 381.426 1.201 20 30 GDEDMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000594476113 652303465 /nfs/dbraw/zinc/30/34/65/652303465.db2.gz CYMQDLPAXKZVDN-UHFFFAOYSA-N -1 1 399.274 1.541 20 30 GDEDMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]C[C@@H](C)C#N)c1 ZINC000770252705 654505396 /nfs/dbraw/zinc/50/53/96/654505396.db2.gz OBVRBXBRERYWPK-ZETCQYMHSA-N -1 1 379.207 1.813 20 30 GDEDMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000788479922 654994619 /nfs/dbraw/zinc/99/46/19/654994619.db2.gz CJAYXORIBPEILR-UHFFFAOYSA-N -1 1 384.215 1.425 20 30 GDEDMM Cc1nc(S(=O)(=O)[N-]CCNc2ccc(C#N)cn2)c(Br)n1C ZINC000804948429 655004930 /nfs/dbraw/zinc/00/49/30/655004930.db2.gz SZMOIKIYULDSNM-UHFFFAOYSA-N -1 1 399.274 1.148 20 30 GDEDMM COC(=O)c1ccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(Br)c1 ZINC000789018652 655011169 /nfs/dbraw/zinc/01/11/69/655011169.db2.gz ZORQDSYGADLJTC-UHFFFAOYSA-N -1 1 391.185 1.427 20 30 GDEDMM Cc1nc(S(=O)(=O)[N-][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1C ZINC000758643027 655067491 /nfs/dbraw/zinc/06/74/91/655067491.db2.gz GPSALCGEOQYNIR-RYUDHWBXSA-N -1 1 386.499 1.797 20 30 GDEDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)N(C)C ZINC000835472192 655105207 /nfs/dbraw/zinc/10/52/07/655105207.db2.gz XDLGHEQOQHHUHP-ZDUSSCGKSA-N -1 1 388.287 1.712 20 30 GDEDMM C#CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000761298038 655142287 /nfs/dbraw/zinc/14/22/87/655142287.db2.gz CEPKTPNXTQDNML-UHFFFAOYSA-N -1 1 388.511 1.929 20 30 GDEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Br)cc1N1CCOCC1 ZINC000766476879 655267766 /nfs/dbraw/zinc/26/77/66/655267766.db2.gz CWXYNXKIEFBIKL-UHFFFAOYSA-N -1 1 396.270 1.408 20 30 GDEDMM Cc1cc2c(c(Br)c1)OCC2=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000814843471 655275161 /nfs/dbraw/zinc/27/51/61/655275161.db2.gz VWGRDVLGAXMCNJ-UHFFFAOYSA-N -1 1 375.186 1.712 20 30 GDEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000841539808 655341302 /nfs/dbraw/zinc/34/13/02/655341302.db2.gz LISWZKWSQDJHCM-NSHDSACASA-N -1 1 394.232 1.623 20 30 GDEDMM Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000843461826 655395507 /nfs/dbraw/zinc/39/55/07/655395507.db2.gz XFWFCOPMVPGCSP-CMPLNLGQSA-N -1 1 376.360 1.098 20 30 GDEDMM O=C(N[C@H]1CCCN(O)C1=O)c1cc(I)ccc1[O-] ZINC000848136569 655482772 /nfs/dbraw/zinc/48/27/72/655482772.db2.gz YIZHDHPNFTZRQZ-VIFPVBQESA-N -1 1 376.150 1.107 20 30 GDEDMM C=CCSCCNC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848932334 655502215 /nfs/dbraw/zinc/50/22/15/655502215.db2.gz NQXAAWLIDAFOMQ-GHMZBOCLSA-N -1 1 381.420 1.080 20 30 GDEDMM C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000848942670 655503174 /nfs/dbraw/zinc/50/31/74/655503174.db2.gz RTRSNEJSHKRRRO-UHFFFAOYSA-N -1 1 382.467 1.129 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C(C)C ZINC000848960466 655507965 /nfs/dbraw/zinc/50/79/65/655507965.db2.gz BOHMEDBCMOKQFW-CQSZACIVSA-N -1 1 387.527 1.620 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(SC)cn1 ZINC000848961525 655509113 /nfs/dbraw/zinc/50/91/13/655509113.db2.gz ZRTWBTDLGNDYEY-LBPRGKRZSA-N -1 1 391.540 1.219 20 30 GDEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)C(=O)OCC ZINC000867588960 656089119 /nfs/dbraw/zinc/08/91/19/656089119.db2.gz KMDIBACINYDCNV-UONOGXRCSA-N -1 1 383.894 1.422 20 30 GDEDMM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000592110255 677678889 /nfs/dbraw/zinc/67/88/89/677678889.db2.gz BFQWRWUTLOGHKS-JTQLQIEISA-N -1 1 380.249 1.833 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001571294536 946138827 /nfs/dbraw/zinc/13/88/27/946138827.db2.gz IRVMTVZLHAJKLT-QMMMGPOBSA-N -1 1 389.832 1.185 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001571294536 946138834 /nfs/dbraw/zinc/13/88/34/946138834.db2.gz IRVMTVZLHAJKLT-QMMMGPOBSA-N -1 1 389.832 1.185 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)c1 ZINC001571296292 946188780 /nfs/dbraw/zinc/18/87/80/946188780.db2.gz TXDITDONMLRSGY-KBPBESRZSA-N -1 1 390.411 1.010 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)c1 ZINC001571296292 946188791 /nfs/dbraw/zinc/18/87/91/946188791.db2.gz TXDITDONMLRSGY-KBPBESRZSA-N -1 1 390.411 1.010 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)c1 ZINC001571296294 946189851 /nfs/dbraw/zinc/18/98/51/946189851.db2.gz TXDITDONMLRSGY-UONOGXRCSA-N -1 1 390.411 1.010 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)c1 ZINC001571296294 946189856 /nfs/dbraw/zinc/18/98/56/946189856.db2.gz TXDITDONMLRSGY-UONOGXRCSA-N -1 1 390.411 1.010 20 30 GDEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571312875 946506217 /nfs/dbraw/zinc/50/62/17/946506217.db2.gz LPWIQMINCMWVGB-NEPJUHHUSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571312875 946506226 /nfs/dbraw/zinc/50/62/26/946506226.db2.gz LPWIQMINCMWVGB-NEPJUHHUSA-N -1 1 392.427 1.067 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC001571313417 946519516 /nfs/dbraw/zinc/51/95/16/946519516.db2.gz QUEWKQVIFXXPFE-NWDGAFQWSA-N -1 1 392.427 1.270 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC001571313417 946519522 /nfs/dbraw/zinc/51/95/22/946519522.db2.gz QUEWKQVIFXXPFE-NWDGAFQWSA-N -1 1 392.427 1.270 20 30 GDEDMM CC(C)CC(=O)Nc1ccc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000824229443 946628587 /nfs/dbraw/zinc/62/85/87/946628587.db2.gz QQFKAPSRDPQXFK-UHFFFAOYSA-N -1 1 378.396 1.802 20 30 GDEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573285402 946778657 /nfs/dbraw/zinc/77/86/57/946778657.db2.gz HHKYCESPZKZAHF-DTWKUNHWSA-N -1 1 383.865 1.322 20 30 GDEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573285402 946778668 /nfs/dbraw/zinc/77/86/68/946778668.db2.gz HHKYCESPZKZAHF-DTWKUNHWSA-N -1 1 383.865 1.322 20 30 GDEDMM C#CCOCCC(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573287616 946843675 /nfs/dbraw/zinc/84/36/75/946843675.db2.gz OEBQYWFVZVQXFQ-ZDUSSCGKSA-N -1 1 389.485 1.322 20 30 GDEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)C)cc1 ZINC001573288434 946868321 /nfs/dbraw/zinc/86/83/21/946868321.db2.gz QHSUPTOQSKOPOM-OAHLLOKOSA-N -1 1 376.424 1.505 20 30 GDEDMM C#Cc1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)C)cc1 ZINC001573288434 946868334 /nfs/dbraw/zinc/86/83/34/946868334.db2.gz QHSUPTOQSKOPOM-OAHLLOKOSA-N -1 1 376.424 1.505 20 30 GDEDMM C#Cc1cncc(C(=O)NCC[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001573292534 946935579 /nfs/dbraw/zinc/93/55/79/946935579.db2.gz XITRCDZNDOPWCV-SNVBAGLBSA-N -1 1 382.453 1.628 20 30 GDEDMM C[C@@H](C#N)C(=O)N(C)[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573562641 946977441 /nfs/dbraw/zinc/97/74/41/946977441.db2.gz VGRBSIPKUMPOCD-IONNQARKSA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573564026 946988527 /nfs/dbraw/zinc/98/85/27/946988527.db2.gz DMFACIOMZKPLGF-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573564026 946988528 /nfs/dbraw/zinc/98/85/28/946988528.db2.gz DMFACIOMZKPLGF-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565669 947011050 /nfs/dbraw/zinc/01/10/50/947011050.db2.gz UAYJVUIURGQOIG-IUODEOHRSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565669 947011062 /nfs/dbraw/zinc/01/10/62/947011062.db2.gz UAYJVUIURGQOIG-IUODEOHRSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573566308 947023805 /nfs/dbraw/zinc/02/38/05/947023805.db2.gz BATXLEQSLOGJJR-SCLBCKFNSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573566308 947023816 /nfs/dbraw/zinc/02/38/16/947023816.db2.gz BATXLEQSLOGJJR-SCLBCKFNSA-N -1 1 381.444 1.025 20 30 GDEDMM C=C1CCC(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296074 947037138 /nfs/dbraw/zinc/03/71/38/947037138.db2.gz KBXQIAMCJOMPSO-HNNXBMFYSA-N -1 1 382.472 1.878 20 30 GDEDMM 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CCN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001571258727 945363335 /nfs/dbraw/zinc/36/33/35/945363335.db2.gz AFJOZNXXOGZDNK-NSHDSACASA-N -1 1 385.432 1.364 20 30 GDEDMM CCN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001571258727 945363349 /nfs/dbraw/zinc/36/33/49/945363349.db2.gz AFJOZNXXOGZDNK-NSHDSACASA-N -1 1 385.432 1.364 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571313385 946520126 /nfs/dbraw/zinc/52/01/26/946520126.db2.gz QKANMQSOWZSUSR-VXGBXAGGSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571313385 946520137 /nfs/dbraw/zinc/52/01/37/946520137.db2.gz QKANMQSOWZSUSR-VXGBXAGGSA-N -1 1 392.427 1.067 20 30 GDEDMM C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573281865 946681914 /nfs/dbraw/zinc/68/19/14/946681914.db2.gz BSHOBWCIRHRMNY-YCPHGPKFSA-N -1 1 394.483 1.639 20 30 GDEDMM 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946734464 /nfs/dbraw/zinc/73/44/64/946734464.db2.gz REEJWKJXUASQOK-OAHLLOKOSA-N -1 1 382.472 1.808 20 30 GDEDMM C#CCCCCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573284087 946734465 /nfs/dbraw/zinc/73/44/65/946734465.db2.gz REEJWKJXUASQOK-OAHLLOKOSA-N -1 1 382.472 1.808 20 30 GDEDMM C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573284079 946735956 /nfs/dbraw/zinc/73/59/56/946735956.db2.gz RBEBDMODEIYKIK-YWZLYKJASA-N -1 1 394.483 1.891 20 30 GDEDMM C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573284079 946735967 /nfs/dbraw/zinc/73/59/67/946735967.db2.gz RBEBDMODEIYKIK-YWZLYKJASA-N -1 1 394.483 1.891 20 30 GDEDMM C#CCCCC(=O)N(C)[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573284469 946747274 /nfs/dbraw/zinc/74/72/74/946747274.db2.gz DJYOYXJBWAGWJB-JTQLQIEISA-N -1 1 379.877 1.817 20 30 GDEDMM C#CCCCC(=O)N(C)[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573284469 946747281 /nfs/dbraw/zinc/74/72/81/946747281.db2.gz DJYOYXJBWAGWJB-JTQLQIEISA-N -1 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/nfs/dbraw/zinc/90/73/65/946907365.db2.gz LNRPCKMEMWRYHM-UHFFFAOYSA-N -1 1 390.451 1.213 20 30 GDEDMM C#Cc1ccccc1CC(=O)NCCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001573290563 946907374 /nfs/dbraw/zinc/90/73/74/946907374.db2.gz LNRPCKMEMWRYHM-UHFFFAOYSA-N -1 1 390.451 1.213 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573291148 946914660 /nfs/dbraw/zinc/91/46/60/946914660.db2.gz XHKGXFLWRFKYRT-MRXNPFEDSA-N -1 1 388.435 1.284 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573291148 946914667 /nfs/dbraw/zinc/91/46/67/946914667.db2.gz XHKGXFLWRFKYRT-MRXNPFEDSA-N -1 1 388.435 1.284 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573292877 946942630 /nfs/dbraw/zinc/94/26/30/946942630.db2.gz GBIHROPAKDOKIT-ZIAGYGMSSA-N -1 1 384.488 1.577 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573293025 946947379 /nfs/dbraw/zinc/94/73/79/946947379.db2.gz JXLZXSBKTBQOSD-OAHLLOKOSA-N -1 1 392.467 1.950 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573564131 946990167 /nfs/dbraw/zinc/99/01/67/946990167.db2.gz GIJVWLKYGJPMEW-QWHCGFSZSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573564131 946990172 /nfs/dbraw/zinc/99/01/72/946990172.db2.gz GIJVWLKYGJPMEW-QWHCGFSZSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C)(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573565736 947013264 /nfs/dbraw/zinc/01/32/64/947013264.db2.gz VGLACQRJVKSGFL-MRVPVSSYSA-N -1 1 380.865 1.929 20 30 GDEDMM C=C1CCC(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)CC1 ZINC001573295382 947016734 /nfs/dbraw/zinc/01/67/34/947016734.db2.gz DMGIBEOHERLURS-HIFRSBDPSA-N -1 1 382.472 1.877 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573567187 947038431 /nfs/dbraw/zinc/03/84/31/947038431.db2.gz JPOQAKITLUOPKQ-PSLIRLAXSA-N -1 1 392.876 1.565 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573567187 947038443 /nfs/dbraw/zinc/03/84/43/947038443.db2.gz JPOQAKITLUOPKQ-PSLIRLAXSA-N -1 1 392.876 1.565 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H](C)C1 ZINC001573570297 947085792 /nfs/dbraw/zinc/08/57/92/947085792.db2.gz MOJNLOYWDKWFKS-IWSPIJDZSA-N -1 1 380.865 1.643 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573571056 947099763 /nfs/dbraw/zinc/09/97/63/947099763.db2.gz YAFGFOXHGLUGEC-HRDYMLBCSA-N -1 1 378.849 1.173 20 30 GDEDMM C[C@H](C#N)C(=O)NC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001573571744 947101605 /nfs/dbraw/zinc/10/16/05/947101605.db2.gz ALGDYPHOINQGGX-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@H](C#N)C(=O)NC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001573571744 947101610 /nfs/dbraw/zinc/10/16/10/947101610.db2.gz ALGDYPHOINQGGX-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573300731 947119825 /nfs/dbraw/zinc/11/98/25/947119825.db2.gz TWJSDXPIJMXVAU-UMVBOHGHSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573300731 947119834 /nfs/dbraw/zinc/11/98/34/947119834.db2.gz TWJSDXPIJMXVAU-UMVBOHGHSA-N -1 1 386.460 1.335 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573301390 947136920 /nfs/dbraw/zinc/13/69/20/947136920.db2.gz ZUJRQZMCONLWGP-IUCAKERBSA-N -1 1 379.877 1.978 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573301390 947136926 /nfs/dbraw/zinc/13/69/26/947136926.db2.gz ZUJRQZMCONLWGP-IUCAKERBSA-N -1 1 379.877 1.978 20 30 GDEDMM C=C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001573301394 947137182 /nfs/dbraw/zinc/13/71/82/947137182.db2.gz ZWEJIYITUACIBV-MRXNPFEDSA-N -1 1 390.451 1.665 20 30 GDEDMM C=C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001573301394 947137189 /nfs/dbraw/zinc/13/71/89/947137189.db2.gz ZWEJIYITUACIBV-MRXNPFEDSA-N -1 1 390.451 1.665 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573305216 947152779 /nfs/dbraw/zinc/15/27/79/947152779.db2.gz NGJBQIYQMZPRBL-STQMWFEESA-N -1 1 386.460 1.287 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573305216 947152782 /nfs/dbraw/zinc/15/27/82/947152782.db2.gz NGJBQIYQMZPRBL-STQMWFEESA-N -1 1 386.460 1.287 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573309386 947198933 /nfs/dbraw/zinc/19/89/33/947198933.db2.gz IEQRWAYYEFLDPQ-JCGVRSQUSA-N -1 1 386.460 1.192 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573309386 947198936 /nfs/dbraw/zinc/19/89/36/947198936.db2.gz IEQRWAYYEFLDPQ-JCGVRSQUSA-N -1 1 386.460 1.192 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573584805 947234741 /nfs/dbraw/zinc/23/47/41/947234741.db2.gz FNQFGABXSNBKPK-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573584805 947234751 /nfs/dbraw/zinc/23/47/51/947234751.db2.gz FNQFGABXSNBKPK-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM CCOC(=O)c1sc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1C ZINC000825576687 947238110 /nfs/dbraw/zinc/23/81/10/947238110.db2.gz NTPVZMSFFSZHRS-UHFFFAOYSA-N -1 1 386.397 1.120 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573585286 947251602 /nfs/dbraw/zinc/25/16/02/947251602.db2.gz NJJBFGBIEBUDKG-VXGBXAGGSA-N -1 1 377.412 1.028 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573585661 947266705 /nfs/dbraw/zinc/26/67/05/947266705.db2.gz ULGWZUOYOYWZMO-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM CCOc1ccc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1OCC ZINC000825643584 947269424 /nfs/dbraw/zinc/26/94/24/947269424.db2.gz RBFUTQNQGDQIBF-UHFFFAOYSA-N -1 1 382.384 1.371 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573585842 947272101 /nfs/dbraw/zinc/27/21/01/947272101.db2.gz XONBHOOSZWAKDA-OWRWGESLSA-N -1 1 375.396 1.010 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573585842 947272111 /nfs/dbraw/zinc/27/21/11/947272111.db2.gz XONBHOOSZWAKDA-OWRWGESLSA-N -1 1 375.396 1.010 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573337622 947518852 /nfs/dbraw/zinc/51/88/52/947518852.db2.gz ZJKWSLUZAOIPSZ-JQWIXIFHSA-N -1 1 379.490 1.554 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573337656 947522039 /nfs/dbraw/zinc/52/20/39/947522039.db2.gz ZWDDUPCKNBTYPB-KGLIPLIRSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573337656 947522053 /nfs/dbraw/zinc/52/20/53/947522053.db2.gz ZWDDUPCKNBTYPB-KGLIPLIRSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573347627 947574564 /nfs/dbraw/zinc/57/45/64/947574564.db2.gz FSLDDELTLOEQEG-KGLIPLIRSA-N -1 1 386.460 1.146 20 30 GDEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573347627 947574578 /nfs/dbraw/zinc/57/45/78/947574578.db2.gz FSLDDELTLOEQEG-KGLIPLIRSA-N -1 1 386.460 1.146 20 30 GDEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573347737 947576043 /nfs/dbraw/zinc/57/60/43/947576043.db2.gz HABHXKBISFZCGL-KBPBESRZSA-N -1 1 386.460 1.113 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358589 947665934 /nfs/dbraw/zinc/66/59/34/947665934.db2.gz FOPAHUDZGAHNAT-CABCVRRESA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358589 947665940 /nfs/dbraw/zinc/66/59/40/947665940.db2.gz FOPAHUDZGAHNAT-CABCVRRESA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358595 947666767 /nfs/dbraw/zinc/66/67/67/947666767.db2.gz FOPAHUDZGAHNAT-HUUCEWRRSA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358595 947666775 /nfs/dbraw/zinc/66/67/75/947666775.db2.gz FOPAHUDZGAHNAT-HUUCEWRRSA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573358892 947673276 /nfs/dbraw/zinc/67/32/76/947673276.db2.gz LIXAPLLCRIKODB-SNVBAGLBSA-N -1 1 391.457 1.246 20 30 GDEDMM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573358892 947673279 /nfs/dbraw/zinc/67/32/79/947673279.db2.gz LIXAPLLCRIKODB-SNVBAGLBSA-N -1 1 391.457 1.246 20 30 GDEDMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574685410 948905830 /nfs/dbraw/zinc/90/58/30/948905830.db2.gz VLURIGOQSVFLIM-SSDOTTSWSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576180056 949932543 /nfs/dbraw/zinc/93/25/43/949932543.db2.gz GYSJJMGTQVLDSP-SMDDNHRTSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180056 949932557 /nfs/dbraw/zinc/93/25/57/949932557.db2.gz GYSJJMGTQVLDSP-SMDDNHRTSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191869 950214567 /nfs/dbraw/zinc/21/45/67/950214567.db2.gz KOTJCRIGXCNIMF-YPMHNXCESA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191869 950214587 /nfs/dbraw/zinc/21/45/87/950214587.db2.gz KOTJCRIGXCNIMF-YPMHNXCESA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192953 950277798 /nfs/dbraw/zinc/27/77/98/950277798.db2.gz RTLKPESWXWYLLI-NWDGAFQWSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192953 950277816 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C#Cc1ccccc1CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573289737 946892818 /nfs/dbraw/zinc/89/28/18/946892818.db2.gz CFCBIZYMKFHOCH-INIZCTEOSA-N -1 1 388.435 1.284 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573289919 946895535 /nfs/dbraw/zinc/89/55/35/946895535.db2.gz RJBRSKHDRRBNFH-CYBMUJFWSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573289919 946895548 /nfs/dbraw/zinc/89/55/48/946895548.db2.gz RJBRSKHDRRBNFH-CYBMUJFWSA-N -1 1 392.423 1.289 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001573290763 946910911 /nfs/dbraw/zinc/91/09/11/946910911.db2.gz OWAWPLACAISDET-CQSZACIVSA-N -1 1 390.451 1.578 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001573290763 946910918 /nfs/dbraw/zinc/91/09/18/946910918.db2.gz OWAWPLACAISDET-CQSZACIVSA-N -1 1 390.451 1.578 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)OCC ZINC001573292711 946937774 /nfs/dbraw/zinc/93/77/74/946937774.db2.gz ACELPBZATZGSOE-BPLDGKMQSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)OCC ZINC001573292711 946937781 /nfs/dbraw/zinc/93/77/81/946937781.db2.gz ACELPBZATZGSOE-BPLDGKMQSA-N -1 1 386.460 1.287 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573563571 946983556 /nfs/dbraw/zinc/98/35/56/946983556.db2.gz AQXLVKBKOLZIQA-QMMMGPOBSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573563571 946983566 /nfs/dbraw/zinc/98/35/66/946983566.db2.gz AQXLVKBKOLZIQA-QMMMGPOBSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573563578 946983789 /nfs/dbraw/zinc/98/37/89/946983789.db2.gz AYOXBJMGZBBJBF-CYBMUJFWSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573563578 946983798 /nfs/dbraw/zinc/98/37/98/946983798.db2.gz AYOXBJMGZBBJBF-CYBMUJFWSA-N -1 1 381.444 1.025 20 30 GDEDMM C=C1CCC(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296078 947038640 /nfs/dbraw/zinc/03/86/40/947038640.db2.gz KBXQIAMCJOMPSO-OAHLLOKOSA-N -1 1 382.472 1.878 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573296200 947042296 /nfs/dbraw/zinc/04/22/96/947042296.db2.gz ZUJDCSDSAJBGPR-YOEHRIQHSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573296200 947042310 /nfs/dbraw/zinc/04/23/10/947042310.db2.gz ZUJDCSDSAJBGPR-YOEHRIQHSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573297069 947059418 /nfs/dbraw/zinc/05/94/18/947059418.db2.gz CYUUDLHKUIFNFQ-DZGCQCFKSA-N -1 1 380.456 1.440 20 30 GDEDMM C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573297069 947059429 /nfs/dbraw/zinc/05/94/29/947059429.db2.gz CYUUDLHKUIFNFQ-DZGCQCFKSA-N -1 1 380.456 1.440 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001573568150 947067816 /nfs/dbraw/zinc/06/78/16/947067816.db2.gz YMKSEPFWHBNVGK-BJOHPYRUSA-N -1 1 392.876 1.565 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001573568153 947068661 /nfs/dbraw/zinc/06/86/61/947068661.db2.gz YMKSEPFWHBNVGK-VFZGTOFNSA-N -1 1 392.876 1.565 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573572749 947116027 /nfs/dbraw/zinc/11/60/27/947116027.db2.gz JYSZIRCEQYBSFF-RKDXNWHRSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309689 947207411 /nfs/dbraw/zinc/20/74/11/947207411.db2.gz MXIBILGUDGCMFE-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309689 947207419 /nfs/dbraw/zinc/20/74/19/947207419.db2.gz MXIBILGUDGCMFE-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573585078 947244591 /nfs/dbraw/zinc/24/45/91/947244591.db2.gz CENLPCNMDPVFPS-KZVJFYERSA-N -1 1 378.849 1.362 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573585078 947244601 /nfs/dbraw/zinc/24/46/01/947244601.db2.gz CENLPCNMDPVFPS-KZVJFYERSA-N -1 1 378.849 1.362 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573585128 947246180 /nfs/dbraw/zinc/24/61/80/947246180.db2.gz LBMNGSNZFBEWFO-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573585128 947246194 /nfs/dbraw/zinc/24/61/94/947246194.db2.gz LBMNGSNZFBEWFO-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573585690 947264798 /nfs/dbraw/zinc/26/47/98/947264798.db2.gz UWRDFHXDISJNJB-VXGBXAGGSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573585690 947264811 /nfs/dbraw/zinc/26/48/11/947264811.db2.gz UWRDFHXDISJNJB-VXGBXAGGSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573585663 947264903 /nfs/dbraw/zinc/26/49/03/947264903.db2.gz ULGWZUOYOYWZMO-LBPRGKRZSA-N -1 1 377.412 1.069 20 30 GDEDMM C=CCC(C)(C)C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573319359 947328661 /nfs/dbraw/zinc/32/86/61/947328661.db2.gz MKAWNJUGPXCTLE-KGLIPLIRSA-N -1 1 382.472 1.544 20 30 GDEDMM C=CCC(C)(C)C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573319359 947328676 /nfs/dbraw/zinc/32/86/76/947328676.db2.gz MKAWNJUGPXCTLE-KGLIPLIRSA-N -1 1 382.472 1.544 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573337057 947513526 /nfs/dbraw/zinc/51/35/26/947513526.db2.gz TUMKKNWHIKRYGG-ZIAGYGMSSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573337057 947513536 /nfs/dbraw/zinc/51/35/36/947513536.db2.gz TUMKKNWHIKRYGG-ZIAGYGMSSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573337034 947513736 /nfs/dbraw/zinc/51/37/36/947513736.db2.gz SXCZTWKZDFCXCS-DTWKUNHWSA-N -1 1 385.881 1.874 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337457 947519221 /nfs/dbraw/zinc/51/92/21/947519221.db2.gz XWCVCBXIRSJOPK-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337457 947519231 /nfs/dbraw/zinc/51/92/31/947519231.db2.gz XWCVCBXIRSJOPK-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCOCC(=O)N1CCC([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573342772 947545618 /nfs/dbraw/zinc/54/56/18/947545618.db2.gz CVIPNXMELQZYQO-NSHDSACASA-N -1 1 391.501 1.873 20 30 GDEDMM C=CCOCC(=O)N1CCC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573343826 947564604 /nfs/dbraw/zinc/56/46/04/947564604.db2.gz SYHVOQSEERIABW-DGCLKSJQSA-N -1 1 391.501 1.873 20 30 GDEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001573350599 947599814 /nfs/dbraw/zinc/59/98/14/947599814.db2.gz HGEVLOZQNQQDRG-CVEARBPZSA-N -1 1 396.455 1.309 20 30 GDEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001573350599 947599822 /nfs/dbraw/zinc/59/98/22/947599822.db2.gz HGEVLOZQNQQDRG-CVEARBPZSA-N -1 1 396.455 1.309 20 30 GDEDMM CC#CCCCC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573357890 947653089 /nfs/dbraw/zinc/65/30/89/947653089.db2.gz BAJQZIIKAFTLGF-UHFFFAOYSA-N -1 1 382.472 1.573 20 30 GDEDMM CC#CCCCC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573357890 947653095 /nfs/dbraw/zinc/65/30/95/947653095.db2.gz BAJQZIIKAFTLGF-UHFFFAOYSA-N -1 1 382.472 1.573 20 30 GDEDMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575513968 949154589 /nfs/dbraw/zinc/15/45/89/949154589.db2.gz ADEMFPBKWGDQSA-GFCCVEGCSA-N -1 1 377.412 1.184 20 30 GDEDMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575513968 949154608 /nfs/dbraw/zinc/15/46/08/949154608.db2.gz ADEMFPBKWGDQSA-GFCCVEGCSA-N -1 1 377.412 1.184 20 30 GDEDMM CC(C)(C)C#CC(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573792596 949255640 /nfs/dbraw/zinc/25/56/40/949255640.db2.gz BPHCLCDLRGCYLR-UHFFFAOYSA-N -1 1 390.451 1.935 20 30 GDEDMM CC(C)(C)C#CC(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573792596 949255661 /nfs/dbraw/zinc/25/56/61/949255661.db2.gz BPHCLCDLRGCYLR-UHFFFAOYSA-N -1 1 390.451 1.935 20 30 GDEDMM C[C@H]1CCN(C(=O)C#CC(C)(C)C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576177928 949865957 /nfs/dbraw/zinc/86/59/57/949865957.db2.gz DXDSCQSXGARLKK-KBPBESRZSA-N -1 1 382.472 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC2(C[C@@H]1C)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571181736 952864798 /nfs/dbraw/zinc/86/47/98/952864798.db2.gz XRKOWMRCXNTDAQ-STQMWFEESA-N -1 1 381.444 1.024 20 30 GDEDMM Cc1nsc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)c1-c1nn[n-]n1 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ZINC000007057020 530544054 /nfs/dbraw/zinc/54/40/54/530544054.db2.gz CBXYXSGOGUFWEG-UHFFFAOYSA-N -1 1 379.463 1.918 20 30 GDEDMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)o1 ZINC000162186762 530566541 /nfs/dbraw/zinc/56/65/41/530566541.db2.gz YKGQGLCYHQYEFH-NSHDSACASA-N -1 1 398.238 1.945 20 30 GDEDMM C[C@@H]1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1 ZINC000349472712 531219898 /nfs/dbraw/zinc/21/98/98/531219898.db2.gz HEJZIDNXJOJEOU-OLZOCXBDSA-N -1 1 386.499 1.145 20 30 GDEDMM CC(C)[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000349514812 531283320 /nfs/dbraw/zinc/28/33/20/531283320.db2.gz FMGPKAAJEXSSRO-ZDUSSCGKSA-N -1 1 388.515 1.391 20 30 GDEDMM C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1 ZINC000349594648 531370268 /nfs/dbraw/zinc/37/02/68/531370268.db2.gz VVNMFTUBMBLYIB-ZDUSSCGKSA-N -1 1 386.499 1.147 20 30 GDEDMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)CC#N ZINC000349611795 531400380 /nfs/dbraw/zinc/40/03/80/531400380.db2.gz HPJIUXCLNRVIGS-LLVKDONJSA-N -1 1 394.906 1.397 20 30 GDEDMM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295049264 531517936 /nfs/dbraw/zinc/51/79/36/531517936.db2.gz BADQNOAKNXESCK-VIFPVBQESA-N -1 1 381.223 1.136 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)c(F)c1 ZINC000451025874 531534248 /nfs/dbraw/zinc/53/42/48/531534248.db2.gz LRIMAPNQJLCAGQ-HNNXBMFYSA-N -1 1 389.474 1.948 20 30 GDEDMM COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451246042 531575105 /nfs/dbraw/zinc/57/51/05/531575105.db2.gz QKDJXALJPNIBKK-SECBINFHSA-N -1 1 395.250 1.790 20 30 GDEDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)S(C)(=O)=O ZINC000560296581 531633133 /nfs/dbraw/zinc/63/31/33/531633133.db2.gz NLFXJWSBAURYKN-ZETCQYMHSA-N -1 1 399.263 1.171 20 30 GDEDMM CC(=O)NCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295924576 531637525 /nfs/dbraw/zinc/63/75/25/531637525.db2.gz JULUJFMRWVSYNV-UHFFFAOYSA-N -1 1 378.223 1.264 20 30 GDEDMM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000595399686 531879790 /nfs/dbraw/zinc/87/97/90/531879790.db2.gz PDEXANJQFNXFJN-XWEPSHTISA-N -1 1 391.218 1.690 20 30 GDEDMM C#CCOc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000735387608 598963514 /nfs/dbraw/zinc/96/35/14/598963514.db2.gz BMFBNDPQMRJMFL-UHFFFAOYSA-N -1 1 396.432 1.631 20 30 GDEDMM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735415955 598993274 /nfs/dbraw/zinc/99/32/74/598993274.db2.gz BHOULJCALGGTND-UHFFFAOYSA-N -1 1 399.436 1.321 20 30 GDEDMM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735415955 598993277 /nfs/dbraw/zinc/99/32/77/598993277.db2.gz BHOULJCALGGTND-UHFFFAOYSA-N -1 1 399.436 1.321 20 30 GDEDMM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735831730 598270003 /nfs/dbraw/zinc/27/00/03/598270003.db2.gz UMPNQXHQWIOWLF-UHFFFAOYSA-N -1 1 397.464 1.980 20 30 GDEDMM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735831730 598270004 /nfs/dbraw/zinc/27/00/04/598270004.db2.gz UMPNQXHQWIOWLF-UHFFFAOYSA-N -1 1 397.464 1.980 20 30 GDEDMM CCc1nn(CCCOc2ccc(C#N)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706463 598642778 /nfs/dbraw/zinc/64/27/78/598642778.db2.gz WTVYVRWKKWPFRG-UHFFFAOYSA-N -1 1 379.424 1.889 20 30 GDEDMM N#CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccccc1 ZINC000737694155 598721266 /nfs/dbraw/zinc/72/12/66/598721266.db2.gz VRVSCCWPLQXXAP-UHFFFAOYSA-N -1 1 385.387 1.738 20 30 GDEDMM C=CCn1c(CCN2CCCCC2)nn(CN2CCO[C@H](C(=O)[O-])C2)c1=S ZINC000736117762 599955337 /nfs/dbraw/zinc/95/53/37/599955337.db2.gz MWEYHOXHNRLGNX-HNNXBMFYSA-N -1 1 395.529 1.371 20 30 GDEDMM CC(C)N1CCO[C@H](CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)C1 ZINC000736474731 600568359 /nfs/dbraw/zinc/56/83/59/600568359.db2.gz PXVWGHPRPFHQHA-WOJBJXKFSA-N -1 1 386.496 1.411 20 30 GDEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826385593 607606683 /nfs/dbraw/zinc/60/66/83/607606683.db2.gz SNOBTQYZURCOBW-KRWDZBQOSA-N -1 1 375.392 1.846 20 30 GDEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826385593 607606685 /nfs/dbraw/zinc/60/66/85/607606685.db2.gz SNOBTQYZURCOBW-KRWDZBQOSA-N -1 1 375.392 1.846 20 30 GDEDMM CC(C)CN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824255332 607607765 /nfs/dbraw/zinc/60/77/65/607607765.db2.gz FGYDSOPDMPNPRK-UHFFFAOYSA-N -1 1 379.402 1.335 20 30 GDEDMM CCOC(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C#N ZINC000825545104 607764220 /nfs/dbraw/zinc/76/42/20/607764220.db2.gz MGQXVORIHOWCOS-UHFFFAOYSA-N -1 1 396.371 1.684 20 30 GDEDMM CCOC(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C#N ZINC000825545104 607764221 /nfs/dbraw/zinc/76/42/21/607764221.db2.gz MGQXVORIHOWCOS-UHFFFAOYSA-N -1 1 396.371 1.684 20 30 GDEDMM N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822830216 606135060 /nfs/dbraw/zinc/13/50/60/606135060.db2.gz XMIPGEPWRXBOFO-GFCCVEGCSA-N -1 1 380.389 1.762 20 30 GDEDMM N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822830216 606135061 /nfs/dbraw/zinc/13/50/61/606135061.db2.gz XMIPGEPWRXBOFO-GFCCVEGCSA-N -1 1 380.389 1.762 20 30 GDEDMM CN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821613420 606731014 /nfs/dbraw/zinc/73/10/14/606731014.db2.gz MVGGCPXHHCGMKS-UHFFFAOYSA-N -1 1 399.392 1.467 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)ccc1C#N ZINC000820803486 607087296 /nfs/dbraw/zinc/08/72/96/607087296.db2.gz AUHDNYAVPYQFFZ-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)ccc1C#N ZINC000820803486 607087298 /nfs/dbraw/zinc/08/72/98/607087298.db2.gz AUHDNYAVPYQFFZ-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM N#C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000822801678 607215258 /nfs/dbraw/zinc/21/52/58/607215258.db2.gz MEXPTBSHKTWYOG-SECBINFHSA-N -1 1 378.183 1.146 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000826327604 607824474 /nfs/dbraw/zinc/82/44/74/607824474.db2.gz NMBUFHFSSQZVPE-LLVKDONJSA-N -1 1 393.455 1.610 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000826327604 607824475 /nfs/dbraw/zinc/82/44/75/607824475.db2.gz NMBUFHFSSQZVPE-LLVKDONJSA-N -1 1 393.455 1.610 20 30 GDEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1-c1ccc(F)cc1 ZINC000826260863 609267347 /nfs/dbraw/zinc/26/73/47/609267347.db2.gz HTCRYFZKRWPEQZ-UHFFFAOYSA-N -1 1 378.331 1.347 20 30 GDEDMM C[C@@](C#N)(NC(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824034135 609278225 /nfs/dbraw/zinc/27/82/25/609278225.db2.gz HIFMNFJMNYEOCZ-SFHVURJKSA-N -1 1 395.402 1.412 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)cc1Br ZINC000556295942 650701494 /nfs/dbraw/zinc/70/14/94/650701494.db2.gz SOTSAMSEXDDCML-SNVBAGLBSA-N -1 1 399.245 1.950 20 30 GDEDMM N#Cc1ccc(C(=O)NCC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000121603715 644681800 /nfs/dbraw/zinc/68/18/00/644681800.db2.gz UBRPFWOZMUYWLV-UHFFFAOYSA-N -1 1 375.182 1.790 20 30 GDEDMM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000568255970 650947513 /nfs/dbraw/zinc/94/75/13/650947513.db2.gz RRXDUBMSSKILNM-WDEREUQCSA-N -1 1 393.437 1.201 20 30 GDEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000463528409 647561105 /nfs/dbraw/zinc/56/11/05/647561105.db2.gz UGPWJLXYMRDPHG-UHFFFAOYSA-N -1 1 384.410 1.910 20 30 GDEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1F ZINC000477498667 647805489 /nfs/dbraw/zinc/80/54/89/647805489.db2.gz KRAABXKRNHPOAA-UHFFFAOYSA-N -1 1 384.410 1.932 20 30 GDEDMM C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nc2nc(C)c(Br)cc2[n-]1 ZINC000506943597 648232461 /nfs/dbraw/zinc/23/24/61/648232461.db2.gz GVRFAJXSGVVVGD-MRVPVSSYSA-N -1 1 387.259 1.493 20 30 GDEDMM C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nc2cc(Br)c(C)[n-]c-2n1 ZINC000506943597 648232472 /nfs/dbraw/zinc/23/24/72/648232472.db2.gz GVRFAJXSGVVVGD-MRVPVSSYSA-N -1 1 387.259 1.493 20 30 GDEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1S(N)(=O)=O ZINC000526997657 648704361 /nfs/dbraw/zinc/70/43/61/648704361.db2.gz QJFYDDSXJSWXHF-UHFFFAOYSA-N -1 1 381.435 1.209 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC23CC(C2)CO3)cc1Br ZINC000528527825 648719912 /nfs/dbraw/zinc/71/99/12/648719912.db2.gz IJUSKHXFQSMLDV-UHFFFAOYSA-N -1 1 375.219 1.917 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](CC#N)C2)c(F)c1 ZINC000594804673 652368441 /nfs/dbraw/zinc/36/84/41/652368441.db2.gz YHKWFPXZKDGDSO-LLVKDONJSA-N -1 1 375.447 1.512 20 30 GDEDMM CS(=O)(=O)c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248408 654801928 /nfs/dbraw/zinc/80/19/28/654801928.db2.gz NOPVZVKJGFQXGI-UHFFFAOYSA-N -1 1 383.407 1.311 20 30 GDEDMM C#CCN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000754044654 654963845 /nfs/dbraw/zinc/96/38/45/654963845.db2.gz WSKKQHQUAMWQEV-ZDUSSCGKSA-N -1 1 377.242 1.830 20 30 GDEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000832597496 655040141 /nfs/dbraw/zinc/04/01/41/655040141.db2.gz RJUHCXGUKMDPFZ-QMMMGPOBSA-N -1 1 382.232 1.434 20 30 GDEDMM C#C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000811185533 655190664 /nfs/dbraw/zinc/19/06/64/655190664.db2.gz NOTUBEJNZOHCPP-STQMWFEESA-N -1 1 391.276 1.569 20 30 GDEDMM Cc1nnsc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000814217582 655258766 /nfs/dbraw/zinc/25/87/66/655258766.db2.gz DNSUCYGUADZPEX-UHFFFAOYSA-N -1 1 375.439 1.883 20 30 GDEDMM CN(C)c1nc(C=Nn2c(=O)cn[n-]c2=S)c(Cl)n1-c1ccccc1 ZINC000766481828 655267809 /nfs/dbraw/zinc/26/78/09/655267809.db2.gz CDZIMSZRGXYZNL-UHFFFAOYSA-N -1 1 375.845 1.714 20 30 GDEDMM C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000840945371 655305255 /nfs/dbraw/zinc/30/52/55/655305255.db2.gz LPZNYQNEJBECHP-VLGSPTGOSA-N -1 1 383.495 1.655 20 30 GDEDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000841533013 655339702 /nfs/dbraw/zinc/33/97/02/655339702.db2.gz BHBVDBQCUKQAFR-LLVKDONJSA-N -1 1 391.218 1.690 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)C(=O)OC ZINC000841539833 655341554 /nfs/dbraw/zinc/34/15/54/655341554.db2.gz LWFASHSIEIOLAZ-GFCCVEGCSA-N -1 1 391.804 1.499 20 30 GDEDMM C#CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000841540897 655341776 /nfs/dbraw/zinc/34/17/76/655341776.db2.gz ONYYGEGESDTIBU-VIFPVBQESA-N -1 1 391.199 1.201 20 30 GDEDMM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848962769 655510572 /nfs/dbraw/zinc/51/05/72/655510572.db2.gz VITSFEVBWPCJFJ-LLVKDONJSA-N -1 1 394.906 1.288 20 30 GDEDMM C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848963239 655510914 /nfs/dbraw/zinc/51/09/14/655510914.db2.gz NHIIPOUXOJUXJM-LLVKDONJSA-N -1 1 379.891 1.198 20 30 GDEDMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(C#N)cc2)c(Br)n1C ZINC000849415698 655530292 /nfs/dbraw/zinc/53/02/92/655530292.db2.gz FFDBKMCBVKJKQE-UHFFFAOYSA-N -1 1 383.271 1.884 20 30 GDEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(C)C ZINC000915205674 660164090 /nfs/dbraw/zinc/16/40/90/660164090.db2.gz VQBQAKFSLLPGDT-SNVBAGLBSA-N -1 1 387.259 1.437 20 30 GDEDMM C=CCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823894550 946506035 /nfs/dbraw/zinc/50/60/35/946506035.db2.gz SVVUQDQNNAZIPZ-UONOGXRCSA-N -1 1 385.476 1.622 20 30 GDEDMM C=CCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823894550 946506044 /nfs/dbraw/zinc/50/60/44/946506044.db2.gz SVVUQDQNNAZIPZ-UONOGXRCSA-N -1 1 385.476 1.622 20 30 GDEDMM C#CCN(C(=O)c1cc(C)co1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573282279 946688665 /nfs/dbraw/zinc/68/86/65/946688665.db2.gz HWQLPWLCXKEAQT-UHFFFAOYSA-N -1 1 392.423 1.303 20 30 GDEDMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824491623 946741921 /nfs/dbraw/zinc/74/19/21/946741921.db2.gz VXJSTRHQFOLCDG-CYBMUJFWSA-N -1 1 399.418 1.874 20 30 GDEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285036 946765126 /nfs/dbraw/zinc/76/51/26/946765126.db2.gz CDXRMBJIRAKIRN-CHWSQXEVSA-N -1 1 389.485 1.320 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)CC(C)C)cc1 ZINC001573287436 946835693 /nfs/dbraw/zinc/83/56/93/946835693.db2.gz HLVQPFIBSXZLLC-MRXNPFEDSA-N -1 1 390.451 1.895 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)CC(C)C)cc1 ZINC001573287436 946835704 /nfs/dbraw/zinc/83/57/04/946835704.db2.gz HLVQPFIBSXZLLC-MRXNPFEDSA-N -1 1 390.451 1.895 20 30 GDEDMM C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573288168 946859236 /nfs/dbraw/zinc/85/92/36/946859236.db2.gz SEHMNZPZMKXXRC-MNOVXSKESA-N -1 1 377.474 1.367 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573289634 946889961 /nfs/dbraw/zinc/88/99/61/946889961.db2.gz OPGDRTSIVVCJOZ-ZDUSSCGKSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573289634 946889972 /nfs/dbraw/zinc/88/99/72/946889972.db2.gz OPGDRTSIVVCJOZ-ZDUSSCGKSA-N -1 1 392.423 1.289 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)OCC ZINC001573292870 946942069 /nfs/dbraw/zinc/94/20/69/946942069.db2.gz FSPKTKOXIMHXAR-YUELXQCFSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)OCC ZINC001573292870 946942078 /nfs/dbraw/zinc/94/20/78/946942078.db2.gz FSPKTKOXIMHXAR-YUELXQCFSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C(C)[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001573293372 946956262 /nfs/dbraw/zinc/95/62/62/946956262.db2.gz UJROZQUUJVSGMW-AWEZNQCLSA-N -1 1 386.460 1.067 20 30 GDEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573294216 946981348 /nfs/dbraw/zinc/98/13/48/946981348.db2.gz YPXHYRJAJZBSLY-LBPRGKRZSA-N -1 1 377.474 1.309 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573565309 947003869 /nfs/dbraw/zinc/00/38/69/947003869.db2.gz QAENEXAEIDFIHR-LBPRGKRZSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573565309 947003880 /nfs/dbraw/zinc/00/38/80/947003880.db2.gz QAENEXAEIDFIHR-LBPRGKRZSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573565237 947005168 /nfs/dbraw/zinc/00/51/68/947005168.db2.gz PFHIOEPPEGVPDD-XHNCKOQMSA-N -1 1 378.849 1.316 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573565237 947005182 /nfs/dbraw/zinc/00/51/82/947005182.db2.gz PFHIOEPPEGVPDD-XHNCKOQMSA-N -1 1 378.849 1.316 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573295435 947016546 /nfs/dbraw/zinc/01/65/46/947016546.db2.gz REJYLCMIWAGMPI-KEYYUXOJSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573295435 947016558 /nfs/dbraw/zinc/01/65/58/947016558.db2.gz REJYLCMIWAGMPI-KEYYUXOJSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573301316 947135520 /nfs/dbraw/zinc/13/55/20/947135520.db2.gz XYPFQSNWRMBABB-BPUTZDHNSA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573301316 947135529 /nfs/dbraw/zinc/13/55/29/947135529.db2.gz XYPFQSNWRMBABB-BPUTZDHNSA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@H](CC)CC(=O)NCCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573314338 947229614 /nfs/dbraw/zinc/22/96/14/947229614.db2.gz BBEAHPDRVYNSMU-CQSZACIVSA-N -1 1 382.472 1.902 20 30 GDEDMM C=C[C@H](CC)CC(=O)NCCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573314338 947229619 /nfs/dbraw/zinc/22/96/19/947229619.db2.gz BBEAHPDRVYNSMU-CQSZACIVSA-N -1 1 382.472 1.902 20 30 GDEDMM C=CC[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318348 947305887 /nfs/dbraw/zinc/30/58/87/947305887.db2.gz AUVOKXPWKMVOEV-DZGCQCFKSA-N -1 1 378.440 1.355 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573320755 947353145 /nfs/dbraw/zinc/35/31/45/947353145.db2.gz ZFNWYNNJYAMCQO-KBPBESRZSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573320755 947353162 /nfs/dbraw/zinc/35/31/62/947353162.db2.gz ZFNWYNNJYAMCQO-KBPBESRZSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CCCC(=O)N1CCC[C@@]2(CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573329552 947421428 /nfs/dbraw/zinc/42/14/28/947421428.db2.gz KUDWCZKXIXAQKG-LJQANCHMSA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCC[C@@]2(CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573329552 947421434 /nfs/dbraw/zinc/42/14/34/947421434.db2.gz KUDWCZKXIXAQKG-LJQANCHMSA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCC[C@]2(CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)C1 ZINC001573329551 947421699 /nfs/dbraw/zinc/42/16/99/947421699.db2.gz KUDWCZKXIXAQKG-IBGZPJMESA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCC[C@]2(CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)C1 ZINC001573329551 947421711 /nfs/dbraw/zinc/42/17/11/947421711.db2.gz KUDWCZKXIXAQKG-IBGZPJMESA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCC[C@](CO)(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573329517 947421760 /nfs/dbraw/zinc/42/17/60/947421760.db2.gz 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C=CCOCCCC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573347785 947577719 /nfs/dbraw/zinc/57/77/19/947577719.db2.gz HZAPWPJNMDEEHX-UHFFFAOYSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001573348582 947586742 /nfs/dbraw/zinc/58/67/42/947586742.db2.gz SCURRLHFAIVRSK-KBPBESRZSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001573348582 947586750 /nfs/dbraw/zinc/58/67/50/947586750.db2.gz SCURRLHFAIVRSK-KBPBESRZSA-N -1 1 386.460 1.431 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573350420 947597427 /nfs/dbraw/zinc/59/74/27/947597427.db2.gz DWHZDCCLXLVQPO-KQTLUZQSSA-N -1 1 398.471 1.144 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573350420 947597431 /nfs/dbraw/zinc/59/74/31/947597431.db2.gz DWHZDCCLXLVQPO-KQTLUZQSSA-N -1 1 398.471 1.144 20 30 GDEDMM N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 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MPDMCGLNOPDNGK-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC[C@H]21 ZINC001573851846 950296531 /nfs/dbraw/zinc/29/65/31/950296531.db2.gz AGEANKOCYXJHMW-DGCLKSJQSA-N -1 1 397.443 1.364 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC[C@H]21 ZINC001573851846 950296548 /nfs/dbraw/zinc/29/65/48/950296548.db2.gz AGEANKOCYXJHMW-DGCLKSJQSA-N -1 1 397.443 1.364 20 30 GDEDMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574159346 950300858 /nfs/dbraw/zinc/30/08/58/950300858.db2.gz FWBJTNLCOFLIGP-ZDUSSCGKSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574159346 950300881 /nfs/dbraw/zinc/30/08/81/950300881.db2.gz FWBJTNLCOFLIGP-ZDUSSCGKSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573860373 950423444 /nfs/dbraw/zinc/42/34/44/950423444.db2.gz IANNZIPHCLKDTE-QWRGUYRKSA-N -1 1 385.432 1.634 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/nfs/dbraw/zinc/96/87/56/946968756.db2.gz NYMXMPDUGAWGIJ-QMMMGPOBSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573565207 947001409 /nfs/dbraw/zinc/00/14/09/947001409.db2.gz OUJWLJWHMAVPTH-XHNCKOQMSA-N -1 1 378.849 1.316 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573565207 947001421 /nfs/dbraw/zinc/00/14/21/947001421.db2.gz OUJWLJWHMAVPTH-XHNCKOQMSA-N -1 1 378.849 1.316 20 30 GDEDMM C=C1CCC(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)CC1 ZINC001573295380 947016322 /nfs/dbraw/zinc/01/63/22/947016322.db2.gz DMGIBEOHERLURS-DZGCQCFKSA-N -1 1 382.472 1.877 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573566309 947024787 /nfs/dbraw/zinc/02/47/87/947024787.db2.gz BATXLEQSLOGJJR-UGSOOPFHSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573566309 947024798 /nfs/dbraw/zinc/02/47/98/947024798.db2.gz BATXLEQSLOGJJR-UGSOOPFHSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573566718 947028674 /nfs/dbraw/zinc/02/86/74/947028674.db2.gz GAKRXFXYHYHWKJ-AEJSXWLSSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573566718 947028679 /nfs/dbraw/zinc/02/86/79/947028679.db2.gz GAKRXFXYHYHWKJ-AEJSXWLSSA-N -1 1 392.876 1.706 20 30 GDEDMM C=C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573299529 947096000 /nfs/dbraw/zinc/09/60/00/947096000.db2.gz FPPYFXPCSQZXDK-CABCVRRESA-N -1 1 376.424 1.321 20 30 GDEDMM C=C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573299529 947096013 /nfs/dbraw/zinc/09/60/13/947096013.db2.gz FPPYFXPCSQZXDK-CABCVRRESA-N -1 1 376.424 1.321 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573304536 947139426 /nfs/dbraw/zinc/13/94/26/947139426.db2.gz BDQRWUDDLMLFNH-SFHVURJKSA-N -1 1 386.460 1.024 20 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C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573582501 947191427 /nfs/dbraw/zinc/19/14/27/947191427.db2.gz DXSBSOCEYUKGGI-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573582501 947191433 /nfs/dbraw/zinc/19/14/33/947191433.db2.gz DXSBSOCEYUKGGI-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573309238 947194422 /nfs/dbraw/zinc/19/44/22/947194422.db2.gz FPGUNEMHIBWOCB-SJKOYZFVSA-N -1 1 391.501 1.873 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310596 947224748 /nfs/dbraw/zinc/22/47/48/947224748.db2.gz YHPBLCYWVLGENJ-ACJLOTCBSA-N -1 1 386.460 1.146 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310596 947224758 /nfs/dbraw/zinc/22/47/58/947224758.db2.gz YHPBLCYWVLGENJ-ACJLOTCBSA-N -1 1 386.460 1.146 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573310602 947224946 /nfs/dbraw/zinc/22/49/46/947224946.db2.gz YHSNCWRWUGQMAQ-AWEZNQCLSA-N -1 1 385.881 1.734 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573310602 947224960 /nfs/dbraw/zinc/22/49/60/947224960.db2.gz YHSNCWRWUGQMAQ-AWEZNQCLSA-N -1 1 385.881 1.734 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573584554 947226317 /nfs/dbraw/zinc/22/63/17/947226317.db2.gz XYSXHIBSXLTABM-RKDXNWHRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573584554 947226329 /nfs/dbraw/zinc/22/63/29/947226329.db2.gz XYSXHIBSXLTABM-RKDXNWHRSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573314754 947237614 /nfs/dbraw/zinc/23/76/14/947237614.db2.gz GJYAZDMBKISGJI-UKRRQHHQSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573314754 947237628 /nfs/dbraw/zinc/23/76/28/947237628.db2.gz GJYAZDMBKISGJI-UKRRQHHQSA-N 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ZINC001573357893 947652832 /nfs/dbraw/zinc/65/28/32/947652832.db2.gz BDXCPDAZYATQGN-OAHLLOKOSA-N -1 1 382.472 1.668 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358700 947668251 /nfs/dbraw/zinc/66/82/51/947668251.db2.gz IFIXMYBNGOJRRT-LSDHHAIUSA-N -1 1 382.472 1.889 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358700 947668255 /nfs/dbraw/zinc/66/82/55/947668255.db2.gz IFIXMYBNGOJRRT-LSDHHAIUSA-N -1 1 382.472 1.889 20 30 GDEDMM Cc1onc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1-c1nnn[n-]1 ZINC000826344937 948015669 /nfs/dbraw/zinc/01/56/69/948015669.db2.gz XCICHRAULKTRKV-UHFFFAOYSA-N -1 1 396.386 1.065 20 30 GDEDMM Cc1onc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1-c1nn[n-]n1 ZINC000826344937 948015676 /nfs/dbraw/zinc/01/56/76/948015676.db2.gz XCICHRAULKTRKV-UHFFFAOYSA-N -1 1 396.386 1.065 20 30 GDEDMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574685411 948906185 /nfs/dbraw/zinc/90/61/85/948906185.db2.gz VLURIGOQSVFLIM-ZETCQYMHSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169342 949676074 /nfs/dbraw/zinc/67/60/74/949676074.db2.gz GTLJAOAHJJPQIN-SMDDNHRTSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169342 949676085 /nfs/dbraw/zinc/67/60/85/949676085.db2.gz GTLJAOAHJJPQIN-SMDDNHRTSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192955 950275612 /nfs/dbraw/zinc/27/56/12/950275612.db2.gz RTLKPESWXWYLLI-VXGBXAGGSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192955 950275634 /nfs/dbraw/zinc/27/56/34/950275634.db2.gz RTLKPESWXWYLLI-VXGBXAGGSA-N -1 1 392.427 1.067 20 30 GDEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001573853704 950331942 /nfs/dbraw/zinc/33/19/42/950331942.db2.gz TXYPTHBMKKFJFJ-PHIMTYICSA-N -1 1 383.416 1.116 20 30 GDEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001573853704 950331958 /nfs/dbraw/zinc/33/19/58/950331958.db2.gz TXYPTHBMKKFJFJ-PHIMTYICSA-N -1 1 383.416 1.116 20 30 GDEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001573860708 950430578 /nfs/dbraw/zinc/43/05/78/950430578.db2.gz MRSYUNJGOBPKNM-WDEREUQCSA-N -1 1 385.432 1.632 20 30 GDEDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001573860708 950430591 /nfs/dbraw/zinc/43/05/91/950430591.db2.gz MRSYUNJGOBPKNM-WDEREUQCSA-N -1 1 385.432 1.632 20 30 GDEDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001573860705 950432805 /nfs/dbraw/zinc/43/28/05/950432805.db2.gz MRSYUNJGOBPKNM-MNOVXSKESA-N -1 1 385.432 1.632 20 30 GDEDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001573860705 950432813 /nfs/dbraw/zinc/43/28/13/950432813.db2.gz MRSYUNJGOBPKNM-MNOVXSKESA-N -1 1 385.432 1.632 20 30 GDEDMM 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C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819745598 606171910 /nfs/dbraw/zinc/17/19/10/606171910.db2.gz LMTLSNDLRFYDOU-UHFFFAOYSA-N -1 1 383.372 1.729 20 30 GDEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819745598 606171911 /nfs/dbraw/zinc/17/19/11/606171911.db2.gz LMTLSNDLRFYDOU-UHFFFAOYSA-N -1 1 383.372 1.729 20 30 GDEDMM CNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821637610 606388789 /nfs/dbraw/zinc/38/87/89/606388789.db2.gz MWFWHDSGJKFKQT-YWEYNIOJSA-N -1 1 375.435 1.732 20 30 GDEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C#N)C1 ZINC000819933632 606640659 /nfs/dbraw/zinc/64/06/59/606640659.db2.gz XTOGNBKQFAIPSJ-JTQLQIEISA-N -1 1 389.441 1.513 20 30 GDEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C#N)C1 ZINC000819933632 606640660 /nfs/dbraw/zinc/64/06/60/606640660.db2.gz XTOGNBKQFAIPSJ-JTQLQIEISA-N -1 1 389.441 1.513 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C#N)ccc1F ZINC000820804387 606785318 /nfs/dbraw/zinc/78/53/18/606785318.db2.gz RQRXGFJVPGELBR-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C#N)ccc1F ZINC000820804387 606785320 /nfs/dbraw/zinc/78/53/20/606785320.db2.gz RQRXGFJVPGELBR-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM N#Cc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)c1 ZINC000822837163 607216191 /nfs/dbraw/zinc/21/61/91/607216191.db2.gz HWIZOVWSKWWROK-UHFFFAOYSA-N -1 1 387.363 1.761 20 30 GDEDMM COc1cccc(-c2nc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c(C)[nH]2)c1 ZINC000826214075 607928158 /nfs/dbraw/zinc/92/81/58/607928158.db2.gz ZBWZVGGMRNMNSR-UHFFFAOYSA-N -1 1 390.367 1.421 20 30 GDEDMM N#Cc1ccsc1C(=O)OCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000826387875 608116197 /nfs/dbraw/zinc/11/61/97/608116197.db2.gz WONLPTJVWPLSCG-UHFFFAOYSA-N -1 1 375.391 1.875 20 30 GDEDMM Cc1c(C#N)cccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826234013 609159742 /nfs/dbraw/zinc/15/97/42/609159742.db2.gz DRRRUHAVHKNEAA-UHFFFAOYSA-N -1 1 380.416 1.449 20 30 GDEDMM Cc1c(C#N)cccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826234013 609159744 /nfs/dbraw/zinc/15/97/44/609159744.db2.gz DRRRUHAVHKNEAA-UHFFFAOYSA-N -1 1 380.416 1.449 20 30 GDEDMM CCC[C@@H](C#N)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC ZINC000536414510 650270610 /nfs/dbraw/zinc/27/06/10/650270610.db2.gz OAVWASPMXOBIGH-ZDUSSCGKSA-N -1 1 389.499 1.817 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000916251140 660189591 /nfs/dbraw/zinc/18/95/91/660189591.db2.gz CPRCUJGDTGIMSV-SECBINFHSA-N -1 1 394.218 1.440 20 30 GDEDMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC#N)c(F)cc1Br ZINC000115579705 644643633 /nfs/dbraw/zinc/64/36/33/644643633.db2.gz MWZZIMGUECAHCQ-SSDOTTSWSA-N -1 1 379.207 1.955 20 30 GDEDMM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916644042 660197823 /nfs/dbraw/zinc/19/78/23/660197823.db2.gz QZSAQAYJWHLCAW-VIFPVBQESA-N -1 1 380.235 1.649 20 30 GDEDMM CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000464419611 647580906 /nfs/dbraw/zinc/58/09/06/647580906.db2.gz VTMDDANQKLBRTL-AWEZNQCLSA-N -1 1 377.463 1.804 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C#N)C(C)C)c(OC)c1 ZINC000469105087 647697155 /nfs/dbraw/zinc/69/71/55/647697155.db2.gz ZGTBDNSVVJJRFC-CYBMUJFWSA-N -1 1 389.499 1.673 20 30 GDEDMM COC[C@H](CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000594805860 652368728 /nfs/dbraw/zinc/36/87/28/652368728.db2.gz VXIWMCAQCVCEAF-JTQLQIEISA-N -1 1 395.250 1.790 20 30 GDEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000609629699 652852155 /nfs/dbraw/zinc/85/21/55/652852155.db2.gz SZQVBCQWKDXNAK-UHFFFAOYSA-N -1 1 385.854 1.968 20 30 GDEDMM CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000800139809 654874794 /nfs/dbraw/zinc/87/47/94/654874794.db2.gz WWABSWGVHMJQDU-LLVKDONJSA-N -1 1 384.424 1.103 20 30 GDEDMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000759004119 655075230 /nfs/dbraw/zinc/07/52/30/655075230.db2.gz PKKDWLLLVDNYFQ-UHFFFAOYSA-N -1 1 383.223 1.940 20 30 GDEDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(=O)O1 ZINC000841519924 655335701 /nfs/dbraw/zinc/33/57/01/655335701.db2.gz FKMLEQLNUNKTPV-LDWIPMOCSA-N -1 1 377.191 1.442 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC000848960189 655507629 /nfs/dbraw/zinc/50/76/29/655507629.db2.gz WTTMLLKIJAZGLP-LBPRGKRZSA-N -1 1 390.531 1.257 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000848960770 655508186 /nfs/dbraw/zinc/50/81/86/655508186.db2.gz IORJXTXJGFOWDN-GFCCVEGCSA-N -1 1 390.531 1.122 20 30 GDEDMM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1)C(C)C ZINC000848963424 655511012 /nfs/dbraw/zinc/51/10/12/655511012.db2.gz RAASQYVGXFNIOE-GFCCVEGCSA-N -1 1 393.918 1.444 20 30 GDEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000859427837 655783475 /nfs/dbraw/zinc/78/34/75/655783475.db2.gz OUFKENGXBHJUCL-SNVBAGLBSA-N -1 1 377.216 1.674 20 30 GDEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)OC)C(=O)OCC ZINC000867591800 656090054 /nfs/dbraw/zinc/09/00/54/656090054.db2.gz FRYKOBIREFASEQ-AVGNSLFASA-N -1 1 381.878 1.712 20 30 GDEDMM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000867704444 656104355 /nfs/dbraw/zinc/10/43/55/656104355.db2.gz LMYHSANCOZAZEZ-ZDUSSCGKSA-N -1 1 386.905 1.642 20 30 GDEDMM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F ZINC000882782915 657230525 /nfs/dbraw/zinc/23/05/25/657230525.db2.gz IXBMAWZGPALRMY-YFKPBYRVSA-N -1 1 391.240 1.276 20 30 GDEDMM N#C[C@@]12CN(C(=O)c3ccc(Br)cc3[O-])C[C@@H]1CS(=O)(=O)C2 ZINC000885314726 657452578 /nfs/dbraw/zinc/45/25/78/657452578.db2.gz FEXXIMQZUVKKPS-OTYXRUKQSA-N -1 1 385.239 1.165 20 30 GDEDMM Cc1ccc(C(=O)N2CCC(Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571293679 946112770 /nfs/dbraw/zinc/11/27/70/946112770.db2.gz OZPLVRRGLCRQRR-UHFFFAOYSA-N -1 1 389.423 1.554 20 30 GDEDMM C#CCCCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573283336 946713015 /nfs/dbraw/zinc/71/30/15/946713015.db2.gz HGSVUYRQJZUCRP-LSDHHAIUSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573283336 946713021 /nfs/dbraw/zinc/71/30/21/946713021.db2.gz HGSVUYRQJZUCRP-LSDHHAIUSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573284246 946740484 /nfs/dbraw/zinc/74/04/84/946740484.db2.gz WJPXTXDCBCZXEA-GJZGRUSLSA-N -1 1 382.472 1.169 20 30 GDEDMM C#CCCCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573284844 946759664 /nfs/dbraw/zinc/75/96/64/946759664.db2.gz NCISMIAAKSSEDC-HNNXBMFYSA-N -1 1 382.472 1.937 20 30 GDEDMM C#CCCCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573284844 946759671 /nfs/dbraw/zinc/75/96/71/946759671.db2.gz NCISMIAAKSSEDC-HNNXBMFYSA-N -1 1 382.472 1.937 20 30 GDEDMM C#CCN(CC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001602685900 971284039 /nfs/dbraw/zinc/28/40/39/971284039.db2.gz KGHOISHBXVGRNE-UHFFFAOYSA-N -1 1 376.432 1.197 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)CCCNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573288152 946858688 /nfs/dbraw/zinc/85/86/88/946858688.db2.gz PDWCZCJJVJHBFQ-GFCCVEGCSA-N -1 1 377.412 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)CCCNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573288152 946858702 /nfs/dbraw/zinc/85/87/02/946858702.db2.gz PDWCZCJJVJHBFQ-GFCCVEGCSA-N -1 1 377.412 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001573288215 946860693 /nfs/dbraw/zinc/86/06/93/946860693.db2.gz IOKZRNCSANPQGN-KRWDZBQOSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001573288215 946860702 /nfs/dbraw/zinc/86/07/02/946860702.db2.gz IOKZRNCSANPQGN-KRWDZBQOSA-N -1 1 388.435 1.601 20 30 GDEDMM C=C1CC(C)(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)C1 ZINC001573296009 947035933 /nfs/dbraw/zinc/03/59/33/947035933.db2.gz JKPHWQQKFHPZSE-ZDUSSCGKSA-N -1 1 388.497 1.602 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@H](C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573296404 947047119 /nfs/dbraw/zinc/04/71/19/947047119.db2.gz PJJHTHHJHKTYDE-CYBMUJFWSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@H](C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573296404 947047127 /nfs/dbraw/zinc/04/71/27/947047127.db2.gz PJJHTHHJHKTYDE-CYBMUJFWSA-N -1 1 382.472 1.734 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001573572274 947110201 /nfs/dbraw/zinc/11/02/01/947110201.db2.gz GNFNHDPORXGBJT-QXCOYKANSA-N -1 1 392.876 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001573572274 947110210 /nfs/dbraw/zinc/11/02/10/947110210.db2.gz GNFNHDPORXGBJT-QXCOYKANSA-N -1 1 392.876 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573574452 947130499 /nfs/dbraw/zinc/13/04/99/947130499.db2.gz RZNCJAVNDSBDFQ-UEJVZZJDSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573574452 947130502 /nfs/dbraw/zinc/13/05/02/947130502.db2.gz RZNCJAVNDSBDFQ-UEJVZZJDSA-N -1 1 380.865 1.976 20 30 GDEDMM C=C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573301244 947132562 /nfs/dbraw/zinc/13/25/62/947132562.db2.gz VKRPLAAVUJDSTN-INIZCTEOSA-N -1 1 392.467 1.911 20 30 GDEDMM C=C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573301244 947132569 /nfs/dbraw/zinc/13/25/69/947132569.db2.gz VKRPLAAVUJDSTN-INIZCTEOSA-N -1 1 392.467 1.911 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573306887 947176584 /nfs/dbraw/zinc/17/65/84/947176584.db2.gz NVENMFDNZJJVMB-BIENJYKASA-N -1 1 382.472 1.544 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573306887 947176587 /nfs/dbraw/zinc/17/65/87/947176587.db2.gz NVENMFDNZJJVMB-BIENJYKASA-N -1 1 382.472 1.544 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573309629 947205321 /nfs/dbraw/zinc/20/53/21/947205321.db2.gz LSPCWHWVNOCDCC-LXIYXOSZSA-N -1 1 386.460 1.071 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573309629 947205330 /nfs/dbraw/zinc/20/53/30/947205330.db2.gz LSPCWHWVNOCDCC-LXIYXOSZSA-N -1 1 386.460 1.071 20 30 GDEDMM CCOC(=O)c1cnn(CCOc2ccc(C#N)cc2OC)c1-c1nn[n-]n1 ZINC000825571220 947234221 /nfs/dbraw/zinc/23/42/21/947234221.db2.gz VPWLWDVXFCKSOD-UHFFFAOYSA-N -1 1 383.368 1.199 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001573584821 947234703 /nfs/dbraw/zinc/23/47/03/947234703.db2.gz FTTCHHCABUKDFK-JTQLQIEISA-N -1 1 381.375 1.184 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001573584821 947234714 /nfs/dbraw/zinc/23/47/14/947234714.db2.gz FTTCHHCABUKDFK-JTQLQIEISA-N -1 1 381.375 1.184 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573585267 947250981 /nfs/dbraw/zinc/25/09/81/947250981.db2.gz MVICBHSQNKBDST-DJLDLDEBSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573585267 947250990 /nfs/dbraw/zinc/25/09/90/947250990.db2.gz MVICBHSQNKBDST-DJLDLDEBSA-N -1 1 380.865 1.976 20 30 GDEDMM C=CC[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318350 947304689 /nfs/dbraw/zinc/30/46/89/947304689.db2.gz AUVOKXPWKMVOEV-HIFRSBDPSA-N -1 1 378.440 1.355 20 30 GDEDMM C=C[C@H](CC(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573320056 947340232 /nfs/dbraw/zinc/34/02/32/947340232.db2.gz XPIXMEUFROTWKH-HUUCEWRRSA-N -1 1 392.467 1.958 20 30 GDEDMM C=C[C@H](CC(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573320056 947340243 /nfs/dbraw/zinc/34/02/43/947340243.db2.gz XPIXMEUFROTWKH-HUUCEWRRSA-N -1 1 392.467 1.958 20 30 GDEDMM C=CCC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)CCCC1 ZINC001573329412 947421454 /nfs/dbraw/zinc/42/14/54/947421454.db2.gz JKLNRCXWMIHZDX-KGLIPLIRSA-N -1 1 382.472 1.877 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573336615 947508281 /nfs/dbraw/zinc/50/82/81/947508281.db2.gz PQPGEERYZGOAAD-KGLIPLIRSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573336615 947508292 /nfs/dbraw/zinc/50/82/92/947508292.db2.gz PQPGEERYZGOAAD-KGLIPLIRSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573336668 947509388 /nfs/dbraw/zinc/50/93/88/947509388.db2.gz PSMXFKUOIZQZDI-STQMWFEESA-N -1 1 391.501 1.698 20 30 GDEDMM C=CCOCC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573343123 947552783 /nfs/dbraw/zinc/55/27/83/947552783.db2.gz JQFFAMIXLPDREA-VXGBXAGGSA-N -1 1 377.474 1.531 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573348588 947586060 /nfs/dbraw/zinc/58/60/60/947586060.db2.gz SCURRLHFAIVRSK-ZIAGYGMSSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573348588 947586069 /nfs/dbraw/zinc/58/60/69/947586069.db2.gz SCURRLHFAIVRSK-ZIAGYGMSSA-N -1 1 386.460 1.431 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573351894 947624211 /nfs/dbraw/zinc/62/42/11/947624211.db2.gz XHNUEDIOEHMJBI-FMKPAKJESA-N -1 1 398.471 1.431 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573351894 947624216 /nfs/dbraw/zinc/62/42/16/947624216.db2.gz XHNUEDIOEHMJBI-FMKPAKJESA-N -1 1 398.471 1.431 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358698 947668709 /nfs/dbraw/zinc/66/87/09/947668709.db2.gz IFIXMYBNGOJRRT-GJZGRUSLSA-N -1 1 382.472 1.889 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358698 947668713 /nfs/dbraw/zinc/66/87/13/947668713.db2.gz IFIXMYBNGOJRRT-GJZGRUSLSA-N -1 1 382.472 1.889 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000826383177 948182302 /nfs/dbraw/zinc/18/23/02/948182302.db2.gz NYJSQITXSOLHKN-UHFFFAOYSA-N -1 1 378.425 1.449 20 30 GDEDMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574694676 949088486 /nfs/dbraw/zinc/08/84/86/949088486.db2.gz UKAGZZHQOHRVFP-SSDOTTSWSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574694676 949088502 /nfs/dbraw/zinc/08/85/02/949088502.db2.gz UKAGZZHQOHRVFP-SSDOTTSWSA-N -1 1 391.848 1.797 20 30 GDEDMM CC(C)n1ncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1Br ZINC001574469114 949470800 /nfs/dbraw/zinc/47/08/00/949470800.db2.gz WSFVDVJWJLSRRX-UHFFFAOYSA-N -1 1 391.193 1.254 20 30 GDEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574738274 950167236 /nfs/dbraw/zinc/16/72/36/950167236.db2.gz DJXCSXHGTAXELL-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574738274 950167245 /nfs/dbraw/zinc/16/72/45/950167245.db2.gz DJXCSXHGTAXELL-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190985 950180692 /nfs/dbraw/zinc/18/06/92/950180692.db2.gz FMQFDDZVSKDWHS-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190985 950180700 /nfs/dbraw/zinc/18/07/00/950180700.db2.gz FMQFDDZVSKDWHS-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574157422 950236154 /nfs/dbraw/zinc/23/61/54/950236154.db2.gz AYKNTBYBKQVKJN-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574157422 950236175 /nfs/dbraw/zinc/23/61/75/950236175.db2.gz AYKNTBYBKQVKJN-LBPRGKRZSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001573853980 950338001 /nfs/dbraw/zinc/33/80/01/950338001.db2.gz VPNMQIICFMNXAL-LLVKDONJSA-N -1 1 385.432 1.728 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001573853980 950338023 /nfs/dbraw/zinc/33/80/23/950338023.db2.gz VPNMQIICFMNXAL-LLVKDONJSA-N -1 1 385.432 1.728 20 30 GDEDMM CC(C)(C)OC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573860086 950417615 /nfs/dbraw/zinc/41/76/15/950417615.db2.gz DJMSZSNYGFOTNC-UHFFFAOYSA-N -1 1 399.459 1.660 20 30 GDEDMM CC(C)(C)OC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573860086 950417634 /nfs/dbraw/zinc/41/76/34/950417634.db2.gz DJMSZSNYGFOTNC-UHFFFAOYSA-N -1 1 399.459 1.660 20 30 GDEDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573860372 950421438 /nfs/dbraw/zinc/42/14/38/950421438.db2.gz IANNZIPHCLKDTE-MNOVXSKESA-N -1 1 385.432 1.634 20 30 GDEDMM CC(C)(C)OC(=O)NCC(F)(F)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001573861099 950441983 /nfs/dbraw/zinc/44/19/83/950441983.db2.gz STDMWNGXQOEUQI-UHFFFAOYSA-N -1 1 381.347 1.100 20 30 GDEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575020122 951049801 /nfs/dbraw/zinc/04/98/01/951049801.db2.gz YPUAAWAEQPYYNV-ZETCQYMHSA-N -1 1 391.848 1.654 20 30 GDEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575020122 951049817 /nfs/dbraw/zinc/04/98/17/951049817.db2.gz YPUAAWAEQPYYNV-ZETCQYMHSA-N -1 1 391.848 1.654 20 30 GDEDMM CC[C@@H](C)NC(=O)c1ccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001571124389 952537795 /nfs/dbraw/zinc/53/77/95/952537795.db2.gz HKTLILXTBGGSPR-LLVKDONJSA-N -1 1 377.412 1.669 20 30 GDEDMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1-c1nnn[n-]1 ZINC001571139052 952618539 /nfs/dbraw/zinc/61/85/39/952618539.db2.gz AYPLJBNLJQRQEF-OAHLLOKOSA-N -1 1 379.380 1.177 20 30 GDEDMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1-c1nn[n-]n1 ZINC001571139052 952618542 /nfs/dbraw/zinc/61/85/42/952618542.db2.gz AYPLJBNLJQRQEF-OAHLLOKOSA-N -1 1 379.380 1.177 20 30 GDEDMM N#Cc1[n-]c(NC(=O)C2(c3cccc(F)c3)CCOCC2)nc1-c1nn[nH]n1 ZINC001571194452 952962800 /nfs/dbraw/zinc/96/28/00/952962800.db2.gz NKGKTQSVMDVTLR-UHFFFAOYSA-N -1 1 382.359 1.287 20 30 GDEDMM N#Cc1cccc(NC(=O)CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001594628270 956328294 /nfs/dbraw/zinc/32/82/94/956328294.db2.gz HEWPYSXTVWJMTG-TZMCWYRMSA-N -1 1 398.341 1.093 20 30 GDEDMM Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594342659 958307125 /nfs/dbraw/zinc/30/71/25/958307125.db2.gz LVFJVTLUGWBUOR-CHWSQXEVSA-N -1 1 383.326 1.603 20 30 GDEDMM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1C#N ZINC001594344134 958315629 /nfs/dbraw/zinc/31/56/29/958315629.db2.gz IZYVYQOFBQLIIV-STQMWFEESA-N -1 1 383.326 1.603 20 30 GDEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC001592408372 977988505 /nfs/dbraw/zinc/98/85/05/977988505.db2.gz AGCHQEBKRAHRFA-ZDUSSCGKSA-N -1 1 383.412 1.152 20 30 GDEDMM C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001588463838 983492278 /nfs/dbraw/zinc/49/22/78/983492278.db2.gz OCFXNMAHUAFZCU-UHFFFAOYSA-N -1 1 388.848 1.895 20 30 GDEDMM C=CCNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001588845460 984362484 /nfs/dbraw/zinc/36/24/84/984362484.db2.gz PKCXXMZMDHFOTM-UHFFFAOYSA-N -1 1 375.406 1.805 20 30 GDEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)[O-])CC1 ZINC001589448608 986827879 /nfs/dbraw/zinc/82/78/79/986827879.db2.gz PNCQCRHSMVAZCL-CYBMUJFWSA-N -1 1 390.509 1.918 20 30 GDEDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC001589628368 987528757 /nfs/dbraw/zinc/52/87/57/987528757.db2.gz HCTVLOZDBRUUNR-UHFFFAOYSA-N -1 1 380.242 1.942 20 30 GDEDMM CN1CCN(CCN(CC(=O)[O-])C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC001598618243 993936073 /nfs/dbraw/zinc/93/60/73/993936073.db2.gz XOJUENWNRZRNGE-UHFFFAOYSA-N -1 1 398.507 1.531 20 30 GDEDMM COCCOc1ccc(C#N)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001599257633 998330721 /nfs/dbraw/zinc/33/07/21/998330721.db2.gz OQUKVJJZYBXLOL-AWEZNQCLSA-N -1 1 390.440 1.596 20 30 GDEDMM CC[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)C1 ZINC000349485763 531240091 /nfs/dbraw/zinc/24/00/91/531240091.db2.gz 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COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1S(N)(=O)=O ZINC000327253017 532081086 /nfs/dbraw/zinc/08/10/86/532081086.db2.gz ZAWGCGJKOZHOCA-UHFFFAOYSA-N -1 1 381.435 1.324 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)o1 ZINC000287937446 532252529 /nfs/dbraw/zinc/25/25/29/532252529.db2.gz VPWXQNLXOHABOL-LBPRGKRZSA-N -1 1 384.797 1.588 20 30 GDEDMM Cc1noc(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 ZINC000289240887 532319098 /nfs/dbraw/zinc/31/90/98/532319098.db2.gz WIRMSZFQYZILGC-UHFFFAOYSA-N -1 1 389.206 1.672 20 30 GDEDMM COC(=O)c1sc2ccccc2c1Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC000736955931 598363566 /nfs/dbraw/zinc/36/35/66/598363566.db2.gz CINWSFHIWPEBJR-UHFFFAOYSA-N -1 1 380.393 1.567 20 30 GDEDMM C#CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000735380946 598512596 /nfs/dbraw/zinc/51/25/96/598512596.db2.gz ORKNVIFLUXSZSP-UHFFFAOYSA-N -1 1 382.405 1.954 20 30 GDEDMM Cc1cc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n2ncnc2n1 ZINC000738405290 600563637 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C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573290205 946900800 /nfs/dbraw/zinc/90/08/00/946900800.db2.gz GTUOASAXDLOFOU-OAGGEKHMSA-N -1 1 386.419 1.178 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001573290762 946911042 /nfs/dbraw/zinc/91/10/42/946911042.db2.gz OWAWPLACAISDET-AWEZNQCLSA-N -1 1 390.451 1.578 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001573290762 946911045 /nfs/dbraw/zinc/91/10/45/946911045.db2.gz OWAWPLACAISDET-AWEZNQCLSA-N -1 1 390.451 1.578 20 30 GDEDMM C#Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)OC)nc2-c2nnn[n-]2)c1 ZINC001573291232 946918110 /nfs/dbraw/zinc/91/81/10/946918110.db2.gz ZAXNCSVQIQVEHI-UHFFFAOYSA-N -1 1 391.391 1.105 20 30 GDEDMM C#Cc1cccc(NC(=O)CN(C)c2ccc(C(=O)OC)nc2-c2nn[n-]n2)c1 ZINC001573291232 946918115 /nfs/dbraw/zinc/91/81/15/946918115.db2.gz ZAXNCSVQIQVEHI-UHFFFAOYSA-N -1 1 391.391 1.105 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N(C)CCNc1snc(C)c1-c1nn[n-]n1)OCC ZINC001573293096 946947008 /nfs/dbraw/zinc/94/70/08/946947008.db2.gz LYURCSCEGZZUEZ-GFCCVEGCSA-N -1 1 379.490 1.873 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300429 947111043 /nfs/dbraw/zinc/11/10/43/947111043.db2.gz JTNUSGBXXGLKCM-JYJNAYRXSA-N -1 1 390.451 1.994 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300429 947111048 /nfs/dbraw/zinc/11/10/48/947111048.db2.gz JTNUSGBXXGLKCM-JYJNAYRXSA-N -1 1 390.451 1.994 20 30 GDEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573572479 947115892 /nfs/dbraw/zinc/11/58/92/947115892.db2.gz IRNDRLVROLYNKW-GQDPBHBBSA-N -1 1 392.876 1.752 20 30 GDEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573572479 947115896 /nfs/dbraw/zinc/11/58/96/947115896.db2.gz IRNDRLVROLYNKW-GQDPBHBBSA-N -1 1 392.876 1.752 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)CC2 ZINC001573574117 947128343 /nfs/dbraw/zinc/12/83/43/947128343.db2.gz QUAJRHWWILZPMN-RKDXNWHRSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)CC2 ZINC001573574117 947128355 /nfs/dbraw/zinc/12/83/55/947128355.db2.gz QUAJRHWWILZPMN-RKDXNWHRSA-N -1 1 392.876 1.611 20 30 GDEDMM C=C[C@H](C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573301232 947132725 /nfs/dbraw/zinc/13/27/25/947132725.db2.gz UYKDHGFSZGCYDS-LFAOLKIESA-N -1 1 376.424 1.711 20 30 GDEDMM C=C[C@H](C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573301232 947132732 /nfs/dbraw/zinc/13/27/32/947132732.db2.gz UYKDHGFSZGCYDS-LFAOLKIESA-N -1 1 376.424 1.711 20 30 GDEDMM C=C[C@@H](C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573301231 947132950 /nfs/dbraw/zinc/13/29/50/947132950.db2.gz UYKDHGFSZGCYDS-IDTUSYRASA-N -1 1 376.424 1.711 20 30 GDEDMM C=C[C@@H](C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573301231 947132953 /nfs/dbraw/zinc/13/29/53/947132953.db2.gz UYKDHGFSZGCYDS-IDTUSYRASA-N -1 1 376.424 1.711 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573307052 947176616 /nfs/dbraw/zinc/17/66/16/947176616.db2.gz OHJCBQOGGDTUDZ-OALUTQOASA-N -1 1 384.488 1.982 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573309343 947195907 /nfs/dbraw/zinc/19/59/07/947195907.db2.gz HFOXCEWBQDTUSX-CLAHSXSESA-N -1 1 385.881 1.610 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573309343 947195916 /nfs/dbraw/zinc/19/59/16/947195916.db2.gz HFOXCEWBQDTUSX-CLAHSXSESA-N -1 1 385.881 1.610 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573309771 947210373 /nfs/dbraw/zinc/21/03/73/947210373.db2.gz OEZKDVOFWIYMFL-XWRVAKJBSA-N -1 1 397.892 1.245 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573309771 947210377 /nfs/dbraw/zinc/21/03/77/947210377.db2.gz OEZKDVOFWIYMFL-XWRVAKJBSA-N -1 1 397.892 1.245 20 30 GDEDMM C[C@H](C#N)C(=O)NCCC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573584225 947216278 /nfs/dbraw/zinc/21/62/78/947216278.db2.gz ROGJJHQNROUGKW-MRVPVSSYSA-N -1 1 380.865 1.835 20 30 GDEDMM C[C@H](C#N)C(=O)NCCC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573584225 947216286 /nfs/dbraw/zinc/21/62/86/947216286.db2.gz ROGJJHQNROUGKW-MRVPVSSYSA-N -1 1 380.865 1.835 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584234 947217420 /nfs/dbraw/zinc/21/74/20/947217420.db2.gz RRFXWDOSCQNGPH-WBMJQRKESA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584234 947217434 /nfs/dbraw/zinc/21/74/34/947217434.db2.gz RRFXWDOSCQNGPH-WBMJQRKESA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573584551 947226637 /nfs/dbraw/zinc/22/66/37/947226637.db2.gz XYSXHIBSXLTABM-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573584551 947226645 /nfs/dbraw/zinc/22/66/45/947226645.db2.gz XYSXHIBSXLTABM-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573314369 947232933 /nfs/dbraw/zinc/23/29/33/947232933.db2.gz BNLLHNYQXBZQJJ-TUVASFSCSA-N -1 1 382.472 1.366 20 30 GDEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573314369 947232942 /nfs/dbraw/zinc/23/29/42/947232942.db2.gz BNLLHNYQXBZQJJ-TUVASFSCSA-N -1 1 382.472 1.366 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315791 947261640 /nfs/dbraw/zinc/26/16/40/947261640.db2.gz PQOKIQDPVMWKGR-FZKQIMNGSA-N -1 1 386.460 1.024 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315791 947261648 /nfs/dbraw/zinc/26/16/48/947261648.db2.gz PQOKIQDPVMWKGR-FZKQIMNGSA-N -1 1 386.460 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573586076 947277451 /nfs/dbraw/zinc/27/74/51/947277451.db2.gz ZACSZFQHWGZDEW-BGZDPUMWSA-N -1 1 378.849 1.362 20 30 GDEDMM C=CC[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573319561 947330853 /nfs/dbraw/zinc/33/08/53/947330853.db2.gz PDSUSSFQSBEBBU-OAHLLOKOSA-N -1 1 378.440 1.887 20 30 GDEDMM C=CC[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573319561 947330860 /nfs/dbraw/zinc/33/08/60/947330860.db2.gz PDSUSSFQSBEBBU-OAHLLOKOSA-N -1 1 378.440 1.887 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573326085 947365723 /nfs/dbraw/zinc/36/57/23/947365723.db2.gz KGNBSIBWDSXBES-UKRRQHHQSA-N -1 1 382.472 1.899 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573326085 947365735 /nfs/dbraw/zinc/36/57/35/947365735.db2.gz KGNBSIBWDSXBES-UKRRQHHQSA-N -1 1 382.472 1.899 20 30 GDEDMM C=CCC1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001573326791 947377689 /nfs/dbraw/zinc/37/76/89/947377689.db2.gz VOODUHILECFAPX-UHFFFAOYSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCC1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001573326791 947377701 /nfs/dbraw/zinc/37/77/01/947377701.db2.gz VOODUHILECFAPX-UHFFFAOYSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001573329553 947421407 /nfs/dbraw/zinc/42/14/07/947421407.db2.gz KVHIVHFOGXJUJL-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573329553 947421413 /nfs/dbraw/zinc/42/14/13/947421413.db2.gz KVHIVHFOGXJUJL-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573335826 947489217 /nfs/dbraw/zinc/48/92/17/947489217.db2.gz FBJFXZZFLVQPMU-CYBMUJFWSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573335826 947489229 /nfs/dbraw/zinc/48/92/29/947489229.db2.gz FBJFXZZFLVQPMU-CYBMUJFWSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573336163 947499996 /nfs/dbraw/zinc/49/99/96/947499996.db2.gz JYSQBDGNCZOYSP-UONOGXRCSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573336163 947500003 /nfs/dbraw/zinc/50/00/03/947500003.db2.gz JYSQBDGNCZOYSP-UONOGXRCSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCOCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573336177 947503692 /nfs/dbraw/zinc/50/36/92/947503692.db2.gz KKMRUQYYCJEBMP-AWEZNQCLSA-N -1 1 386.460 1.433 20 30 GDEDMM C=CCCOCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573336177 947503701 /nfs/dbraw/zinc/50/37/01/947503701.db2.gz KKMRUQYYCJEBMP-AWEZNQCLSA-N -1 1 386.460 1.433 20 30 GDEDMM C=CCCOCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573336807 947511073 /nfs/dbraw/zinc/51/10/73/947511073.db2.gz RNTDVOHBENINCQ-CMPLNLGQSA-N -1 1 377.474 1.626 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573337073 947514201 /nfs/dbraw/zinc/51/42/01/947514201.db2.gz UBWSJYCEZHMFGC-KBPBESRZSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573337073 947514210 /nfs/dbraw/zinc/51/42/10/947514210.db2.gz UBWSJYCEZHMFGC-KBPBESRZSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCOCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573337020 947514777 /nfs/dbraw/zinc/51/47/77/947514777.db2.gz SQJUMBVHWDPYMG-AUUYWEPGSA-N -1 1 398.471 1.115 20 30 GDEDMM C=CCOCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](CC)C1 ZINC001573343428 947558182 /nfs/dbraw/zinc/55/81/82/947558182.db2.gz PGNYZWVIRIYDMW-CHWSQXEVSA-N -1 1 391.501 1.873 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573358052 947654684 /nfs/dbraw/zinc/65/46/84/947654684.db2.gz DPFGSRGOHYOLRT-GOEBONIOSA-N -1 1 380.456 1.278 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573358052 947654693 /nfs/dbraw/zinc/65/46/93/947654693.db2.gz DPFGSRGOHYOLRT-GOEBONIOSA-N -1 1 380.456 1.278 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573359135 947678109 /nfs/dbraw/zinc/67/81/09/947678109.db2.gz VSQSRFXPHQEKRN-JKSUJKDBSA-N -1 1 380.456 1.420 20 30 GDEDMM CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573359135 947678116 /nfs/dbraw/zinc/67/81/16/947678116.db2.gz VSQSRFXPHQEKRN-JKSUJKDBSA-N -1 1 380.456 1.420 20 30 GDEDMM Cc1cc(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c(C)n1CC(F)(F)F ZINC000826257144 947742383 /nfs/dbraw/zinc/74/23/83/947742383.db2.gz PKZQMLPSJJWRKV-UHFFFAOYSA-N -1 1 378.318 1.798 20 30 GDEDMM Cc1onc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344545 948009304 /nfs/dbraw/zinc/00/93/04/948009304.db2.gz KRDHLMRWUBJITF-INIZCTEOSA-N -1 1 392.423 1.115 20 30 GDEDMM Cc1onc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344545 948009310 /nfs/dbraw/zinc/00/93/10/948009310.db2.gz KRDHLMRWUBJITF-INIZCTEOSA-N -1 1 392.423 1.115 20 30 GDEDMM N#Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000826385624 948187541 /nfs/dbraw/zinc/18/75/41/948187541.db2.gz USENAWPWILRONL-INIZCTEOSA-N -1 1 389.375 1.486 20 30 GDEDMM N#Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000826385624 948187550 /nfs/dbraw/zinc/18/75/50/948187550.db2.gz USENAWPWILRONL-INIZCTEOSA-N -1 1 389.375 1.486 20 30 GDEDMM C[C@@H]1CCCN(C(=O)C#CC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166066 949578301 /nfs/dbraw/zinc/57/83/01/949578301.db2.gz LAQUTFKWLUVKML-HIFRSBDPSA-N -1 1 382.472 1.745 20 30 GDEDMM C[C@@H]1CCCN(C(=O)C#CC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166066 949578319 /nfs/dbraw/zinc/57/83/19/949578319.db2.gz LAQUTFKWLUVKML-HIFRSBDPSA-N -1 1 382.472 1.745 20 30 GDEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574738790 950175271 /nfs/dbraw/zinc/17/52/71/950175271.db2.gz HWDCJYLOKPKTKT-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573852919 950315620 /nfs/dbraw/zinc/31/56/20/950315620.db2.gz LFKOPHSPNPAIOF-LLVKDONJSA-N -1 1 385.432 1.587 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573852919 950315643 /nfs/dbraw/zinc/31/56/43/950315643.db2.gz LFKOPHSPNPAIOF-LLVKDONJSA-N -1 1 385.432 1.587 20 30 GDEDMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574162969 950412030 /nfs/dbraw/zinc/41/20/30/950412030.db2.gz OMFKORPKHKJPNC-CYBMUJFWSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574162969 950412041 /nfs/dbraw/zinc/41/20/41/950412041.db2.gz OMFKORPKHKJPNC-CYBMUJFWSA-N -1 1 380.416 1.113 20 30 GDEDMM N#Cc1ncc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001571155703 952698947 /nfs/dbraw/zinc/69/89/47/952698947.db2.gz XZWHXEFIMBHNBH-GOSISDBHSA-N -1 1 380.387 1.099 20 30 GDEDMM COc1ccc(OC)c([C@@H](O)[C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001571194619 952965547 /nfs/dbraw/zinc/96/55/47/952965547.db2.gz PAHTXJKJBNRAAG-FVMDXXJSSA-N -1 1 382.384 1.080 20 30 GDEDMM 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CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000282220349 531723463 /nfs/dbraw/zinc/72/34/63/531723463.db2.gz NUULEUPTDZXSBG-FUYOWACXSA-N -1 1 389.499 1.276 20 30 GDEDMM Cn1[n-]c(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nc1=O ZINC000329255090 532100064 /nfs/dbraw/zinc/10/00/64/532100064.db2.gz BHMSDZHYITVYGF-SNVBAGLBSA-N -1 1 395.261 1.766 20 30 GDEDMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C#N)c1C ZINC000736605703 598980496 /nfs/dbraw/zinc/98/04/96/598980496.db2.gz QHQRMSIJHNBCSU-UHFFFAOYSA-N -1 1 383.393 1.932 20 30 GDEDMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C#N)c1C ZINC000736605703 598980498 /nfs/dbraw/zinc/98/04/98/598980498.db2.gz QHQRMSIJHNBCSU-UHFFFAOYSA-N -1 1 383.393 1.932 20 30 GDEDMM N#Cc1[n-]c(NC(=O)CCc2ccccc2OC(F)(F)F)nc1-c1nn[nH]n1 ZINC000737704647 598471964 /nfs/dbraw/zinc/47/19/64/598471964.db2.gz ILAXRQDIBWRHLF-UHFFFAOYSA-N -1 1 392.301 1.931 20 30 GDEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737548385 598754766 /nfs/dbraw/zinc/75/47/66/598754766.db2.gz PKRMYSLWQSHNJN-CQSZACIVSA-N -1 1 392.423 1.371 20 30 GDEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737548385 598754767 /nfs/dbraw/zinc/75/47/67/598754767.db2.gz PKRMYSLWQSHNJN-CQSZACIVSA-N -1 1 392.423 1.371 20 30 GDEDMM N#CCCCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737686820 598778107 /nfs/dbraw/zinc/77/81/07/598778107.db2.gz DXCDVOLMRSULFD-UHFFFAOYSA-N -1 1 385.432 1.258 20 30 GDEDMM C[C@H](COC(=O)c1ccc(C#N)nc1)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736038507 599495978 /nfs/dbraw/zinc/49/59/78/599495978.db2.gz VQJKRMLWCYZCOU-LLVKDONJSA-N -1 1 393.363 1.178 20 30 GDEDMM C[C@H](COC(=O)c1ccc(C#N)nc1)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736038507 599495980 /nfs/dbraw/zinc/49/59/80/599495980.db2.gz VQJKRMLWCYZCOU-LLVKDONJSA-N -1 1 393.363 1.178 20 30 GDEDMM Cc1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n(CCC#N)n1 ZINC000738463769 600054292 /nfs/dbraw/zinc/05/42/92/600054292.db2.gz KWZMIHMKOKJFPE-UHFFFAOYSA-N -1 1 378.410 1.760 20 30 GDEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cnccn1 ZINC000823937266 607538887 /nfs/dbraw/zinc/53/88/87/607538887.db2.gz OVQPVTGPJDLTBE-UHFFFAOYSA-N -1 1 378.425 1.789 20 30 GDEDMM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cnccn1 ZINC000823937266 607538889 /nfs/dbraw/zinc/53/88/89/607538889.db2.gz OVQPVTGPJDLTBE-UHFFFAOYSA-N -1 1 378.425 1.789 20 30 GDEDMM N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826382014 607581209 /nfs/dbraw/zinc/58/12/09/607581209.db2.gz KWOGLGDPWJUYMP-UHFFFAOYSA-N -1 1 376.373 1.703 20 30 GDEDMM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000831091877 604076974 /nfs/dbraw/zinc/07/69/74/604076974.db2.gz MYZVOGUHKFWINU-VIFPVBQESA-N -1 1 378.186 1.653 20 30 GDEDMM COc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C#N ZINC000826203410 607678982 /nfs/dbraw/zinc/67/89/82/607678982.db2.gz MSDPEBAUYZXFML-UHFFFAOYSA-N -1 1 388.384 1.365 20 30 GDEDMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C#N ZINC000825545721 607760519 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C#CCN(C(=O)C[C@H]1C=CCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573282853 946699249 /nfs/dbraw/zinc/69/92/49/946699249.db2.gz MWJWYSSXCZCJER-HNNXBMFYSA-N -1 1 392.467 1.444 20 30 GDEDMM C#CCN(C(=O)C[C@H]1C=CCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573282853 946699255 /nfs/dbraw/zinc/69/92/55/946699255.db2.gz MWJWYSSXCZCJER-HNNXBMFYSA-N -1 1 392.467 1.444 20 30 GDEDMM C#CCCCCC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573283399 946715462 /nfs/dbraw/zinc/71/54/62/946715462.db2.gz SPWQJEMZXFVBFN-IBGZPJMESA-N -1 1 382.472 1.573 20 30 GDEDMM C#CCCCCC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573283399 946715464 /nfs/dbraw/zinc/71/54/64/946715464.db2.gz SPWQJEMZXFVBFN-IBGZPJMESA-N -1 1 382.472 1.573 20 30 GDEDMM C#CCCCC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573285097 946767655 /nfs/dbraw/zinc/76/76/55/946767655.db2.gz RQLIZNYSXRKKQR-UHFFFAOYSA-N -1 1 380.456 1.279 20 30 GDEDMM C#CCCCC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573285097 946767664 /nfs/dbraw/zinc/76/76/64/946767664.db2.gz RQLIZNYSXRKKQR-UHFFFAOYSA-N -1 1 380.456 1.279 20 30 GDEDMM C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573285416 946777705 /nfs/dbraw/zinc/77/77/05/946777705.db2.gz HQTBCYDWHAHALP-SJKOYZFVSA-N -1 1 389.485 1.320 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573288618 946874499 /nfs/dbraw/zinc/87/44/99/946874499.db2.gz SEXWYBJVVQNIPR-STQMWFEESA-N -1 1 376.424 1.647 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573288618 946874512 /nfs/dbraw/zinc/87/45/12/946874512.db2.gz SEXWYBJVVQNIPR-STQMWFEESA-N -1 1 376.424 1.647 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573293118 946949909 /nfs/dbraw/zinc/94/99/09/946949909.db2.gz MJCOWWTVGLTBEC-KGLIPLIRSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573293118 946949923 /nfs/dbraw/zinc/94/99/23/946949923.db2.gz MJCOWWTVGLTBEC-KGLIPLIRSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CCC(CC)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573293346 946956666 /nfs/dbraw/zinc/95/66/66/946956666.db2.gz TUIZCXAFELCCMZ-UHFFFAOYSA-N -1 1 384.488 1.864 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573293481 946957205 /nfs/dbraw/zinc/95/72/05/946957205.db2.gz XPENWSWXHXLHLM-CYBMUJFWSA-N -1 1 384.488 1.859 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573293481 946957215 /nfs/dbraw/zinc/95/72/15/946957215.db2.gz XPENWSWXHXLHLM-CYBMUJFWSA-N -1 1 384.488 1.859 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573293482 946957753 /nfs/dbraw/zinc/95/77/53/946957753.db2.gz XPENWSWXHXLHLM-ZDUSSCGKSA-N -1 1 384.488 1.859 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573293482 946957760 /nfs/dbraw/zinc/95/77/60/946957760.db2.gz XPENWSWXHXLHLM-ZDUSSCGKSA-N -1 1 384.488 1.859 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573565974 947019178 /nfs/dbraw/zinc/01/91/78/947019178.db2.gz YAOASLZALWREBC-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(C(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565974 947019185 /nfs/dbraw/zinc/01/91/85/947019185.db2.gz YAOASLZALWREBC-GFCCVEGCSA-N -1 1 383.460 1.493 20 30 GDEDMM C=C1CCC(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001573295684 947025290 /nfs/dbraw/zinc/02/52/90/947025290.db2.gz HMKOBCPRFDRUTI-UHFFFAOYSA-N -1 1 382.472 1.664 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573566294 947025616 /nfs/dbraw/zinc/02/56/16/947025616.db2.gz AUEFYMHGPSLWNE-BBBLOLIVSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573566294 947025628 /nfs/dbraw/zinc/02/56/28/947025628.db2.gz AUEFYMHGPSLWNE-BBBLOLIVSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573568028 947061605 /nfs/dbraw/zinc/06/16/05/947061605.db2.gz WNTPGXQKFXZIFE-BDAKNGLRSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573568028 947061614 /nfs/dbraw/zinc/06/16/14/947061614.db2.gz WNTPGXQKFXZIFE-BDAKNGLRSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573568087 947066348 /nfs/dbraw/zinc/06/63/48/947066348.db2.gz XNXJTJVNYBHRPJ-RKDXNWHRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573568087 947066356 /nfs/dbraw/zinc/06/63/56/947066356.db2.gz XNXJTJVNYBHRPJ-RKDXNWHRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573570068 947084837 /nfs/dbraw/zinc/08/48/37/947084837.db2.gz JRKKFFREACEKHI-HRDYMLBCSA-N -1 1 378.849 1.173 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573570068 947084849 /nfs/dbraw/zinc/08/48/49/947084849.db2.gz JRKKFFREACEKHI-HRDYMLBCSA-N -1 1 378.849 1.173 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@](C)(CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573570629 947091775 /nfs/dbraw/zinc/09/17/75/947091775.db2.gz RKLOKUDCECINAQ-UOWDBTKRSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@](C)(CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573570629 947091787 /nfs/dbraw/zinc/09/17/87/947091787.db2.gz RKLOKUDCECINAQ-UOWDBTKRSA-N -1 1 380.865 1.833 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573299533 947096035 /nfs/dbraw/zinc/09/60/35/947096035.db2.gz FPPYFXPCSQZXDK-GJZGRUSLSA-N -1 1 376.424 1.321 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573299533 947096047 /nfs/dbraw/zinc/09/60/47/947096047.db2.gz FPPYFXPCSQZXDK-GJZGRUSLSA-N -1 1 376.424 1.321 20 30 GDEDMM C=C[C@@H](C(=O)NCCN(CCC)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573301230 947132677 /nfs/dbraw/zinc/13/26/77/947132677.db2.gz UWPMLCLWUYLCHT-MRXNPFEDSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@@H](C(=O)NCCN(CCC)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573301230 947132683 /nfs/dbraw/zinc/13/26/83/947132683.db2.gz UWPMLCLWUYLCHT-MRXNPFEDSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573301367 947136344 /nfs/dbraw/zinc/13/63/44/947136344.db2.gz ZLXACJNXMZKFMB-CVEARBPZSA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573301367 947136348 /nfs/dbraw/zinc/13/63/48/947136348.db2.gz ZLXACJNXMZKFMB-CVEARBPZSA-N -1 1 390.451 1.933 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573305151 947150748 /nfs/dbraw/zinc/15/07/48/947150748.db2.gz AXUMPNHWDNCBSU-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573305151 947150760 /nfs/dbraw/zinc/15/07/60/947150760.db2.gz AXUMPNHWDNCBSU-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573307489 947181231 /nfs/dbraw/zinc/18/12/31/947181231.db2.gz SORJCERAVZIQIM-QZTJIDSGSA-N -1 1 386.460 1.024 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573307489 947181239 /nfs/dbraw/zinc/18/12/39/947181239.db2.gz SORJCERAVZIQIM-QZTJIDSGSA-N -1 1 386.460 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573581996 947186293 /nfs/dbraw/zinc/18/62/93/947186293.db2.gz BKCZWOQUZSEAFA-OPRDCNLKSA-N -1 1 394.892 1.715 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573309519 947202454 /nfs/dbraw/zinc/20/24/54/947202454.db2.gz JVXOYAGOGOHQTF-GOSISDBHSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573309519 947202462 /nfs/dbraw/zinc/20/24/62/947202462.db2.gz JVXOYAGOGOHQTF-GOSISDBHSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573309864 947210328 /nfs/dbraw/zinc/21/03/28/947210328.db2.gz PDCKQFPGBSPHIT-LXIYXOSZSA-N -1 1 386.460 1.192 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573309864 947210329 /nfs/dbraw/zinc/21/03/29/947210329.db2.gz PDCKQFPGBSPHIT-LXIYXOSZSA-N -1 1 386.460 1.192 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573584694 947229605 /nfs/dbraw/zinc/22/96/05/947229605.db2.gz BSCPWWVCLQZWHE-LBPRGKRZSA-N -1 1 377.412 1.087 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573584694 947229609 /nfs/dbraw/zinc/22/96/09/947229609.db2.gz BSCPWWVCLQZWHE-LBPRGKRZSA-N -1 1 377.412 1.087 20 30 GDEDMM C=CC1(CC(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573315934 947259920 /nfs/dbraw/zinc/25/99/20/947259920.db2.gz QSJAVICXROJSBW-ZDUSSCGKSA-N -1 1 386.460 1.072 20 30 GDEDMM C=CC1(CC(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573315934 947259929 /nfs/dbraw/zinc/25/99/29/947259929.db2.gz QSJAVICXROJSBW-ZDUSSCGKSA-N -1 1 386.460 1.072 20 30 GDEDMM C=CCC(CC=C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573319399 947331229 /nfs/dbraw/zinc/33/12/29/947331229.db2.gz NDRBQHVEBIXEJS-HIFRSBDPSA-N -1 1 382.472 1.638 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573336162 947500436 /nfs/dbraw/zinc/50/04/36/947500436.db2.gz JYSQBDGNCZOYSP-KGLIPLIRSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573336162 947500445 /nfs/dbraw/zinc/50/04/45/947500445.db2.gz JYSQBDGNCZOYSP-KGLIPLIRSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573336625 947508452 /nfs/dbraw/zinc/50/84/52/947508452.db2.gz PSMXFKUOIZQZDI-OLZOCXBDSA-N -1 1 391.501 1.698 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573336619 947508506 /nfs/dbraw/zinc/50/85/06/947508506.db2.gz PQPGEERYZGOAAD-ZIAGYGMSSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573336619 947508516 /nfs/dbraw/zinc/50/85/16/947508516.db2.gz PQPGEERYZGOAAD-ZIAGYGMSSA-N -1 1 386.460 1.207 20 30 GDEDMM C=CCOCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573343477 947559794 /nfs/dbraw/zinc/55/97/94/947559794.db2.gz PMVVNDQSSRGLPZ-OCCSQVGLSA-N -1 1 386.460 1.064 20 30 GDEDMM C=CCOCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573343477 947559798 /nfs/dbraw/zinc/55/97/98/947559798.db2.gz PMVVNDQSSRGLPZ-OCCSQVGLSA-N -1 1 386.460 1.064 20 30 GDEDMM CC#CCCCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573359184 947681840 /nfs/dbraw/zinc/68/18/40/947681840.db2.gz WYKKCHLLNFLZHN-HNAYVOBHSA-N -1 1 380.456 1.468 20 30 GDEDMM CC#CCCCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573359184 947681850 /nfs/dbraw/zinc/68/18/50/947681850.db2.gz WYKKCHLLNFLZHN-HNAYVOBHSA-N -1 1 380.456 1.468 20 30 GDEDMM Cc1ccc(N(CCC#N)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1C 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O=c1nc(NN=C2COc3cc(F)c(Br)cc32)nc2[nH][n-]cc1-2 ZINC000814843222 655275191 /nfs/dbraw/zinc/27/51/91/655275191.db2.gz OYEQBEMCJDMKIE-UHFFFAOYSA-N -1 1 379.149 1.542 20 30 GDEDMM C#CCCCS(=O)(=O)[N-]c1cc(N2CCOCC2)c(Br)cn1 ZINC000840949234 655305484 /nfs/dbraw/zinc/30/54/84/655305484.db2.gz SBDAWRBDKPQFTH-UHFFFAOYSA-N -1 1 388.287 1.836 20 30 GDEDMM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000848965388 655512461 /nfs/dbraw/zinc/51/24/61/655512461.db2.gz NSLQNUWXMSNLLW-LBPRGKRZSA-N -1 1 388.515 1.140 20 30 GDEDMM C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848968463 655515067 /nfs/dbraw/zinc/51/50/67/655515067.db2.gz UJZDQQJFCNEVPI-LLVKDONJSA-N -1 1 379.891 1.198 20 30 GDEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000848969273 655515849 /nfs/dbraw/zinc/51/58/49/655515849.db2.gz GKZUNLKBHSWOSJ-UHFFFAOYSA-N -1 1 387.527 1.585 20 30 GDEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000848969399 655515927 /nfs/dbraw/zinc/51/59/27/655515927.db2.gz LFJDSGPSOJYGMQ-UHFFFAOYSA-N -1 1 390.531 1.222 20 30 GDEDMM CN(C)S(=O)(=O)C[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000868256830 656146915 /nfs/dbraw/zinc/14/69/15/656146915.db2.gz DQLNSHBMAWDFCN-RXMQYKEDSA-N -1 1 380.257 1.513 20 30 GDEDMM N#CCN1CCC[C@H](CNC(=O)c2ccc(I)cc2[O-])C1 ZINC000878946734 656762657 /nfs/dbraw/zinc/76/26/57/656762657.db2.gz DDJNECJVVMMNOA-LLVKDONJSA-N -1 1 399.232 1.962 20 30 GDEDMM C#CCN(C(C)C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000903667492 659372390 /nfs/dbraw/zinc/37/23/90/659372390.db2.gz ZVVLFNJHZRDZAU-UHFFFAOYSA-N -1 1 391.490 1.416 20 30 GDEDMM C[C@@]1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCNC1=O ZINC000907811450 659834417 /nfs/dbraw/zinc/83/44/17/659834417.db2.gz KLYVMWAUWAWJGR-GFCCVEGCSA-N -1 1 376.207 1.017 20 30 GDEDMM C=CCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000819751078 945281827 /nfs/dbraw/zinc/28/18/27/945281827.db2.gz OQEGGFHALAWEPX-ZDUSSCGKSA-N -1 1 389.510 1.708 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ncc(C#N)s1 ZINC000822458859 946095662 /nfs/dbraw/zinc/09/56/62/946095662.db2.gz IFNVYXKWQMQZQK-UHFFFAOYSA-N -1 1 394.424 1.426 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ncc(C#N)s1 ZINC000822458859 946095670 /nfs/dbraw/zinc/09/56/70/946095670.db2.gz IFNVYXKWQMQZQK-UHFFFAOYSA-N -1 1 394.424 1.426 20 30 GDEDMM C#CCCCCC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573283333 946711835 /nfs/dbraw/zinc/71/18/35/946711835.db2.gz HGSVUYRQJZUCRP-CABCVRRESA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573283333 946711844 /nfs/dbraw/zinc/71/18/44/946711844.db2.gz HGSVUYRQJZUCRP-CABCVRRESA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573283334 946713330 /nfs/dbraw/zinc/71/33/30/946713330.db2.gz HGSVUYRQJZUCRP-GJZGRUSLSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573283334 946713337 /nfs/dbraw/zinc/71/33/37/946713337.db2.gz HGSVUYRQJZUCRP-GJZGRUSLSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573284596 946752519 /nfs/dbraw/zinc/75/25/19/946752519.db2.gz HAUVTCBGDFPIEV-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573284596 946752524 /nfs/dbraw/zinc/75/25/24/946752524.db2.gz HAUVTCBGDFPIEV-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM C#Cc1ccc(C(=O)NC2(CNc3nccnc3-c3nnn[n-]3)CCCC2)cn1 ZINC001573287128 946829898 /nfs/dbraw/zinc/82/98/98/946829898.db2.gz FXSCGDDFXQTFMM-UHFFFAOYSA-N -1 1 389.423 1.188 20 30 GDEDMM C#Cc1ccc(C(=O)NC2(CNc3nccnc3-c3nn[n-]n3)CCCC2)cn1 ZINC001573287128 946829910 /nfs/dbraw/zinc/82/99/10/946829910.db2.gz FXSCGDDFXQTFMM-UHFFFAOYSA-N -1 1 389.423 1.188 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573290643 946910632 /nfs/dbraw/zinc/91/06/32/946910632.db2.gz NMOZOMDVXRXCPB-UONOGXRCSA-N -1 1 390.451 1.576 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573290643 946910641 /nfs/dbraw/zinc/91/06/41/946910641.db2.gz NMOZOMDVXRXCPB-UONOGXRCSA-N -1 1 390.451 1.576 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573292789 946940958 /nfs/dbraw/zinc/94/09/58/946940958.db2.gz BZGOQROFWFENOP-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM CC(C)N(CCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)[C@H](C)C#N ZINC001573561486 946964610 /nfs/dbraw/zinc/96/46/10/946964610.db2.gz LEQVFRVBVFEQJF-SECBINFHSA-N -1 1 382.881 1.809 20 30 GDEDMM CC(C)N(CCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)[C@H](C)C#N ZINC001573561486 946964620 /nfs/dbraw/zinc/96/46/20/946964620.db2.gz LEQVFRVBVFEQJF-SECBINFHSA-N -1 1 382.881 1.809 20 30 GDEDMM C[C@@H](C#N)C(=O)N(C)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573562511 946974253 /nfs/dbraw/zinc/97/42/53/946974253.db2.gz UOKKVHJMSJFKHM-CBAPKCEASA-N -1 1 380.865 1.785 20 30 GDEDMM C[C@@H](C#N)C(=O)N(C)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573562511 946974261 /nfs/dbraw/zinc/97/42/61/946974261.db2.gz UOKKVHJMSJFKHM-CBAPKCEASA-N -1 1 380.865 1.785 20 30 GDEDMM C#CCOc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC001602702208 971329749 /nfs/dbraw/zinc/32/97/49/971329749.db2.gz LOPFAASCWKWPNJ-KGLIPLIRSA-N -1 1 398.337 1.435 20 30 GDEDMM C=C(C)CCC(=O)N[C@H]1CC12CCN(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001573300521 947112891 /nfs/dbraw/zinc/11/28/91/947112891.db2.gz QVDBYJMRJQVILX-HNNXBMFYSA-N -1 1 382.472 1.797 20 30 GDEDMM C=C(C)CCC(=O)N[C@H]1CC12CCN(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001573300521 947112896 /nfs/dbraw/zinc/11/28/96/947112896.db2.gz QVDBYJMRJQVILX-HNNXBMFYSA-N -1 1 382.472 1.797 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001573301162 947131109 /nfs/dbraw/zinc/13/11/09/947131109.db2.gz SMDQGIJMPZBVBQ-MJBXVCDLSA-N -1 1 382.472 1.908 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001573301162 947131115 /nfs/dbraw/zinc/13/11/15/947131115.db2.gz SMDQGIJMPZBVBQ-MJBXVCDLSA-N -1 1 382.472 1.908 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573305208 947152888 /nfs/dbraw/zinc/15/28/88/947152888.db2.gz BPBCWBSCDQGKLY-MOPGFXCFSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573305208 947152891 /nfs/dbraw/zinc/15/28/91/947152891.db2.gz BPBCWBSCDQGKLY-MOPGFXCFSA-N -1 1 382.472 1.688 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573305729 947160455 /nfs/dbraw/zinc/16/04/55/947160455.db2.gz UKBMQQZVMDPDSJ-KBPBESRZSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573306278 947169796 /nfs/dbraw/zinc/16/97/96/947169796.db2.gz JFVCUFXBZLKOLQ-KRWDZBQOSA-N -1 1 386.460 1.336 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573306278 947169803 /nfs/dbraw/zinc/16/98/03/947169803.db2.gz JFVCUFXBZLKOLQ-KRWDZBQOSA-N -1 1 386.460 1.336 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573309346 947195949 /nfs/dbraw/zinc/19/59/49/947195949.db2.gz HFOXCEWBQDTUSX-XLKFXECMSA-N -1 1 385.881 1.610 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573309346 947195955 /nfs/dbraw/zinc/19/59/55/947195955.db2.gz HFOXCEWBQDTUSX-XLKFXECMSA-N -1 1 385.881 1.610 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573583114 947201079 /nfs/dbraw/zinc/20/10/79/947201079.db2.gz JORJQNQNWJGIDZ-QMMMGPOBSA-N -1 1 380.865 1.469 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573314370 947231940 /nfs/dbraw/zinc/23/19/40/947231940.db2.gz BNLLHNYQXBZQJJ-ZQDZILKHSA-N -1 1 382.472 1.366 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573314370 947231950 /nfs/dbraw/zinc/23/19/50/947231950.db2.gz BNLLHNYQXBZQJJ-ZQDZILKHSA-N -1 1 382.472 1.366 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573584797 947236023 /nfs/dbraw/zinc/23/60/23/947236023.db2.gz FGHQNRCSBPASTA-GFCCVEGCSA-N -1 1 377.412 1.087 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573584797 947236038 /nfs/dbraw/zinc/23/60/38/947236038.db2.gz FGHQNRCSBPASTA-GFCCVEGCSA-N -1 1 377.412 1.087 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573585348 947255079 /nfs/dbraw/zinc/25/50/79/947255079.db2.gz PBTKCRPCPFGTBM-XHNCKOQMSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573585348 947255096 /nfs/dbraw/zinc/25/50/96/947255096.db2.gz PBTKCRPCPFGTBM-XHNCKOQMSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F 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/nfs/dbraw/zinc/48/02/79/598480279.db2.gz AYXDGJQUBRTHTJ-UHFFFAOYSA-N -1 1 386.375 1.985 20 30 GDEDMM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737727804 598745180 /nfs/dbraw/zinc/74/51/80/598745180.db2.gz BOXJKZLHYANPPC-UHFFFAOYSA-N -1 1 397.830 1.979 20 30 GDEDMM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737727804 598745182 /nfs/dbraw/zinc/74/51/82/598745182.db2.gz BOXJKZLHYANPPC-UHFFFAOYSA-N -1 1 397.830 1.979 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CC#N)C1CCCC1 ZINC000737487769 599552119 /nfs/dbraw/zinc/55/21/19/599552119.db2.gz MYGOOPZRXCMMRU-UHFFFAOYSA-N -1 1 393.455 1.754 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CC#N)C1CCCC1 ZINC000737487769 599552123 /nfs/dbraw/zinc/55/21/23/599552123.db2.gz MYGOOPZRXCMMRU-UHFFFAOYSA-N -1 1 393.455 1.754 20 30 GDEDMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000737689315 599850400 /nfs/dbraw/zinc/85/04/00/599850400.db2.gz VXFNXZFXNFLELP-UHFFFAOYSA-N -1 1 378.337 1.983 20 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/nfs/dbraw/zinc/63/40/90/607634090.db2.gz YYXDXPPMAHANJT-UHFFFAOYSA-N -1 1 393.245 1.641 20 30 GDEDMM Cc1cccc(N2CCN(CCC(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)CC2)c1 ZINC000830511071 604072927 /nfs/dbraw/zinc/07/29/27/604072927.db2.gz DOBYUHIIPUESMT-GOSISDBHSA-N -1 1 385.468 1.222 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(C#N)cc1F ZINC000820804710 606778960 /nfs/dbraw/zinc/77/89/60/606778960.db2.gz XVXCEPLMWUAAQJ-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(C#N)cc1F ZINC000820804710 606778961 /nfs/dbraw/zinc/77/89/61/606778961.db2.gz XVXCEPLMWUAAQJ-LBPRGKRZSA-N -1 1 379.403 1.378 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000822819666 607161791 /nfs/dbraw/zinc/16/17/91/607161791.db2.gz YSUBZJCTEQFDDT-UHFFFAOYSA-N -1 1 375.274 1.725 20 30 GDEDMM N#Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)cc1 ZINC000822832454 607208305 /nfs/dbraw/zinc/20/83/05/607208305.db2.gz AWNSNACTHWTIJA-UHFFFAOYSA-N -1 1 388.351 1.156 20 30 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946537254 /nfs/dbraw/zinc/53/72/54/946537254.db2.gz YCTSGEJCSHUVSG-UHFFFAOYSA-N -1 1 392.427 1.318 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001571313954 946537262 /nfs/dbraw/zinc/53/72/62/946537262.db2.gz YCTSGEJCSHUVSG-UHFFFAOYSA-N -1 1 392.427 1.318 20 30 GDEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573281959 946681435 /nfs/dbraw/zinc/68/14/35/946681435.db2.gz DIEQOHNUBNPCIG-BXUZGUMPSA-N -1 1 385.497 1.718 20 30 GDEDMM C#CCCCCC(=O)N(CC#C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573283950 946732562 /nfs/dbraw/zinc/73/25/62/946732562.db2.gz ONOVEMOYWNALMB-UHFFFAOYSA-N -1 1 392.467 1.281 20 30 GDEDMM C#CCCCCC(=O)N(CC#C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573283950 946732568 /nfs/dbraw/zinc/73/25/68/946732568.db2.gz ONOVEMOYWNALMB-UHFFFAOYSA-N -1 1 392.467 1.281 20 30 GDEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573284397 946744460 /nfs/dbraw/zinc/74/44/60/946744460.db2.gz ASUGPYAHPZZFRR-WDEREUQCSA-N 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C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573287103 946829589 /nfs/dbraw/zinc/82/95/89/946829589.db2.gz FCBYPERDGGMMBX-HOTGVXAUSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573287103 946829604 /nfs/dbraw/zinc/82/96/04/946829604.db2.gz FCBYPERDGGMMBX-HOTGVXAUSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573290001 946898680 /nfs/dbraw/zinc/89/86/80/946898680.db2.gz SPGBZYGIHVGJFX-OAHLLOKOSA-N -1 1 388.435 1.237 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573290001 946898691 /nfs/dbraw/zinc/89/86/91/946898691.db2.gz SPGBZYGIHVGJFX-OAHLLOKOSA-N -1 1 388.435 1.237 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573293299 946953259 /nfs/dbraw/zinc/95/32/59/946953259.db2.gz RPJKKMVVMRYOLT-MRVPVSSYSA-N -1 1 385.881 1.468 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573293299 946953262 /nfs/dbraw/zinc/95/32/62/946953262.db2.gz RPJKKMVVMRYOLT-MRVPVSSYSA-N -1 1 385.881 1.468 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573293279 946954368 /nfs/dbraw/zinc/95/43/68/946954368.db2.gz QPBMCMGFIZIFQC-RKDXNWHRSA-N -1 1 397.892 1.245 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573293279 946954373 /nfs/dbraw/zinc/95/43/73/946954373.db2.gz QPBMCMGFIZIFQC-RKDXNWHRSA-N -1 1 397.892 1.245 20 30 GDEDMM CC(C)N(CCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)[C@@H](C)C#N ZINC001573561489 946963964 /nfs/dbraw/zinc/96/39/64/946963964.db2.gz LEQVFRVBVFEQJF-VIFPVBQESA-N -1 1 382.881 1.809 20 30 GDEDMM CC(C)N(CCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)[C@@H](C)C#N ZINC001573561489 946963969 /nfs/dbraw/zinc/96/39/69/946963969.db2.gz LEQVFRVBVFEQJF-VIFPVBQESA-N -1 1 382.881 1.809 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573565964 947018167 /nfs/dbraw/zinc/01/81/67/947018167.db2.gz XRWGLHJMXCNVPP-CHWSQXEVSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC2(C[C@H]1C)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573565964 947018174 /nfs/dbraw/zinc/01/81/74/947018174.db2.gz XRWGLHJMXCNVPP-CHWSQXEVSA-N -1 1 381.444 1.024 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573296175 947039883 /nfs/dbraw/zinc/03/98/83/947039883.db2.gz ZLASWLVMQVIARJ-HOCLYGCPSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573296175 947039890 /nfs/dbraw/zinc/03/98/90/947039890.db2.gz ZLASWLVMQVIARJ-HOCLYGCPSA-N -1 1 398.471 1.065 20 30 GDEDMM C=C(Cl)C[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001573296114 947040542 /nfs/dbraw/zinc/04/05/42/947040542.db2.gz ZKTXHQZQLBJDQI-SNVBAGLBSA-N -1 1 380.792 1.080 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)C1 ZINC001573296646 947051213 /nfs/dbraw/zinc/05/12/13/947051213.db2.gz VHJOTINIYQROSY-CYBMUJFWSA-N -1 1 382.472 1.660 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)C1 ZINC001573296646 947051219 /nfs/dbraw/zinc/05/12/19/947051219.db2.gz VHJOTINIYQROSY-CYBMUJFWSA-N -1 1 382.472 1.660 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573567720 947051701 /nfs/dbraw/zinc/05/17/01/947051701.db2.gz RHGREWYIXBNAMQ-SCLBCKFNSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567838 947058198 /nfs/dbraw/zinc/05/81/98/947058198.db2.gz UBQXLXQUTBVQTF-IUCAKERBSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573568085 947066284 /nfs/dbraw/zinc/06/62/84/947066284.db2.gz XNXJTJVNYBHRPJ-DTWKUNHWSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573568085 947066298 /nfs/dbraw/zinc/06/62/98/947066298.db2.gz XNXJTJVNYBHRPJ-DTWKUNHWSA-N -1 1 380.865 1.787 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300182 947107773 /nfs/dbraw/zinc/10/77/73/947107773.db2.gz JAIFHHOTNXHWSU-CVEARBPZSA-N -1 1 390.451 1.664 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300182 947107779 /nfs/dbraw/zinc/10/77/79/947107779.db2.gz JAIFHHOTNXHWSU-CVEARBPZSA-N -1 1 390.451 1.664 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC001573573463 947122293 /nfs/dbraw/zinc/12/22/93/947122293.db2.gz NMEWDDZCYXQQAO-KEMUVXCRSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC001573573463 947122297 /nfs/dbraw/zinc/12/22/97/947122297.db2.gz NMEWDDZCYXQQAO-KEMUVXCRSA-N -1 1 392.876 1.754 20 30 GDEDMM C=C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573301287 947135372 /nfs/dbraw/zinc/13/53/72/947135372.db2.gz WOYJSGKKUATZGG-AVVWSFFYSA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573301287 947135377 /nfs/dbraw/zinc/13/53/77/947135377.db2.gz WOYJSGKKUATZGG-AVVWSFFYSA-N -1 1 390.451 1.933 20 30 GDEDMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)c1nc2ccccc2s1 ZINC000825376389 947168407 /nfs/dbraw/zinc/16/84/07/947168407.db2.gz GFQJGOAEXZWIJP-UHFFFAOYSA-N -1 1 379.409 1.598 20 30 GDEDMM C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001573307905 947184159 /nfs/dbraw/zinc/18/41/59/947184159.db2.gz WYULDMLJUSOCQB-GFCCVEGCSA-N -1 1 391.501 1.555 20 30 GDEDMM C[C@@H](C#N)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001573581958 947187283 /nfs/dbraw/zinc/18/72/83/947187283.db2.gz AUVGMSPAFHGAEQ-ZDUSSCGKSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573582760 947195799 /nfs/dbraw/zinc/19/57/99/947195799.db2.gz GYMJWFMJAKYQAL-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573582760 947195805 /nfs/dbraw/zinc/19/58/05/947195805.db2.gz GYMJWFMJAKYQAL-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573584482 947223892 /nfs/dbraw/zinc/22/38/92/947223892.db2.gz WUCKPMSVACSSSD-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573584482 947223905 /nfs/dbraw/zinc/22/39/05/947223905.db2.gz WUCKPMSVACSSSD-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573315529 947250904 /nfs/dbraw/zinc/25/09/04/947250904.db2.gz CIIDXURNOJSYGJ-GOEBONIOSA-N -1 1 390.451 1.712 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573315529 947250912 /nfs/dbraw/zinc/25/09/12/947250912.db2.gz CIIDXURNOJSYGJ-GOEBONIOSA-N -1 1 390.451 1.712 20 30 GDEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585687 947266029 /nfs/dbraw/zinc/26/60/29/947266029.db2.gz UWRDFHXDISJNJB-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585687 947266040 /nfs/dbraw/zinc/26/60/40/947266040.db2.gz UWRDFHXDISJNJB-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573585783 947268677 /nfs/dbraw/zinc/26/86/77/947268677.db2.gz WIFVGBGJZVOIAX-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573585783 947268692 /nfs/dbraw/zinc/26/86/92/947268692.db2.gz WIFVGBGJZVOIAX-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573587288 947307409 /nfs/dbraw/zinc/30/74/09/947307409.db2.gz ZACSZFQHWGZDEW-KZVJFYERSA-N -1 1 378.849 1.362 20 30 GDEDMM C=CC[C@@H](C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573320004 947339717 /nfs/dbraw/zinc/33/97/17/947339717.db2.gz TVJBPUYQLWYSSD-MRXNPFEDSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CC[C@@H](C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573320004 947339729 /nfs/dbraw/zinc/33/97/29/947339729.db2.gz TVJBPUYQLWYSSD-MRXNPFEDSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CCCC(=O)N1CCC2(C1)CCN(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001573328942 947417071 /nfs/dbraw/zinc/41/70/71/947417071.db2.gz FJHZXMRMJNYKDY-UHFFFAOYSA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCC2(C1)CCN(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001573328942 947417078 /nfs/dbraw/zinc/41/70/78/947417078.db2.gz FJHZXMRMJNYKDY-UHFFFAOYSA-N -1 1 382.472 1.750 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573329791 947425486 /nfs/dbraw/zinc/42/54/86/947425486.db2.gz PKDVACVFMNOLHJ-GJZGRUSLSA-N -1 1 382.472 1.973 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573329791 947425490 /nfs/dbraw/zinc/42/54/90/947425490.db2.gz PKDVACVFMNOLHJ-GJZGRUSLSA-N -1 1 382.472 1.973 20 30 GDEDMM C=CCCC(=O)N1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573329974 947427852 /nfs/dbraw/zinc/42/78/52/947427852.db2.gz RMIJGYPFXXVDKU-HNNXBMFYSA-N -1 1 382.472 1.688 20 30 GDEDMM C=CCCC(=O)N1CCC([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573329974 947427861 /nfs/dbraw/zinc/42/78/61/947427861.db2.gz RMIJGYPFXXVDKU-HNNXBMFYSA-N -1 1 382.472 1.688 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573336161 947499722 /nfs/dbraw/zinc/49/97/22/947499722.db2.gz JYSQBDGNCZOYSP-KBPBESRZSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573336161 947499736 /nfs/dbraw/zinc/49/97/36/947499736.db2.gz JYSQBDGNCZOYSP-KBPBESRZSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573337654 947521661 /nfs/dbraw/zinc/52/16/61/947521661.db2.gz ZWDDUPCKNBTYPB-KBPBESRZSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573337654 947521668 /nfs/dbraw/zinc/52/16/68/947521668.db2.gz ZWDDUPCKNBTYPB-KBPBESRZSA-N 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ZINC000820113645 598226324 /nfs/dbraw/zinc/22/63/24/598226324.db2.gz DZZNMZPICGBCTK-BFUOFWGJSA-N -1 1 376.432 1.759 20 30 GDEDMM CC1CCN(c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cn2)CC1 ZINC000736281313 598423439 /nfs/dbraw/zinc/42/34/39/598423439.db2.gz VBKJIBWVSGJHQT-UHFFFAOYSA-N -1 1 378.400 1.345 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)nc1-c1nn[nH]n1 ZINC000822814902 607357352 /nfs/dbraw/zinc/35/73/52/607357352.db2.gz KZAACFMGOXQUCD-UHFFFAOYSA-N -1 1 389.335 1.304 20 30 GDEDMM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000736654556 598698864 /nfs/dbraw/zinc/69/88/64/598698864.db2.gz GOQFRXPUHALRRD-UHFFFAOYSA-N -1 1 390.367 1.298 20 30 GDEDMM CC(C)[C@](C)(C#N)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735691182 598720818 /nfs/dbraw/zinc/72/08/18/598720818.db2.gz NFNVWWDROVKMEU-SFHVURJKSA-N -1 1 399.842 1.889 20 30 GDEDMM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3ccc(-c4nnn[n-]4)o3)C2=O)c1 ZINC000821863480 599334544 /nfs/dbraw/zinc/33/45/44/599334544.db2.gz LKXWRFJLXYLOTP-QGZVFWFLSA-N -1 1 381.352 1.269 20 30 GDEDMM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3ccc(-c4nn[n-]n4)o3)C2=O)c1 ZINC000821863480 599334547 /nfs/dbraw/zinc/33/45/47/599334547.db2.gz LKXWRFJLXYLOTP-QGZVFWFLSA-N -1 1 381.352 1.269 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC1(CC#N)CC1 ZINC000822459722 599626472 /nfs/dbraw/zinc/62/64/72/599626472.db2.gz UGLGYLZLLYQBDD-UHFFFAOYSA-N -1 1 380.412 1.696 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC1(CC#N)CC1 ZINC000822459722 599626473 /nfs/dbraw/zinc/62/64/73/599626473.db2.gz UGLGYLZLLYQBDD-UHFFFAOYSA-N -1 1 380.412 1.696 20 30 GDEDMM CC(C)CCN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824249766 607607548 /nfs/dbraw/zinc/60/75/48/607607548.db2.gz UGKXPXSPHBITMQ-UHFFFAOYSA-N -1 1 393.429 1.725 20 30 GDEDMM CC(C)[C@@](C)(C#N)NC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833464944 604617104 /nfs/dbraw/zinc/61/71/04/604617104.db2.gz DUPLXDRWGLYVFZ-NHCUHLMSSA-N -1 1 386.496 1.750 20 30 GDEDMM N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)nc1 ZINC000822829730 606548012 /nfs/dbraw/zinc/54/80/12/606548012.db2.gz GJNVBRHYHHOVFK-UHFFFAOYSA-N -1 1 380.437 1.594 20 30 GDEDMM N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nc1 ZINC000822829730 606548014 /nfs/dbraw/zinc/54/80/14/606548014.db2.gz GJNVBRHYHHOVFK-UHFFFAOYSA-N -1 1 380.437 1.594 20 30 GDEDMM N#Cc1ccccc1N1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822842549 606698006 /nfs/dbraw/zinc/69/80/06/606698006.db2.gz NKVFTFMKGUNGIV-UHFFFAOYSA-N -1 1 391.395 1.758 20 30 GDEDMM N#Cc1ccccc1N1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822842549 606698008 /nfs/dbraw/zinc/69/80/08/606698008.db2.gz NKVFTFMKGUNGIV-UHFFFAOYSA-N -1 1 391.395 1.758 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C#N)ccc1F ZINC000820804386 606785383 /nfs/dbraw/zinc/78/53/83/606785383.db2.gz RQRXGFJVPGELBR-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C#N)ccc1F ZINC000820804386 606785385 /nfs/dbraw/zinc/78/53/85/606785385.db2.gz RQRXGFJVPGELBR-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@@]1(C#N)CCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824777160 608125895 /nfs/dbraw/zinc/12/58/95/608125895.db2.gz HTSNWIZAWLIQNJ-IBGZPJMESA-N -1 1 391.439 1.617 20 30 GDEDMM C[C@@]1(C#N)CCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824777160 608125896 /nfs/dbraw/zinc/12/58/96/608125896.db2.gz HTSNWIZAWLIQNJ-IBGZPJMESA-N -1 1 391.439 1.617 20 30 GDEDMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824489857 609154405 /nfs/dbraw/zinc/15/44/05/609154405.db2.gz MZNJIMUPKMIHRY-LLVKDONJSA-N -1 1 394.443 1.379 20 30 GDEDMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824489857 609154407 /nfs/dbraw/zinc/15/44/07/609154407.db2.gz MZNJIMUPKMIHRY-LLVKDONJSA-N -1 1 394.443 1.379 20 30 GDEDMM COc1cc(-c2nc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)cs2)ccc1O ZINC000826167178 609174286 /nfs/dbraw/zinc/17/42/86/609174286.db2.gz SIWLXUSGBPQYII-UHFFFAOYSA-N -1 1 395.408 1.403 20 30 GDEDMM C#CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000823837395 609309163 /nfs/dbraw/zinc/30/91/63/609309163.db2.gz CXRSJAASYHBLNO-CQSZACIVSA-N -1 1 393.455 1.511 20 30 GDEDMM C#CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000823837395 609309164 /nfs/dbraw/zinc/30/91/64/609309164.db2.gz CXRSJAASYHBLNO-CQSZACIVSA-N -1 1 393.455 1.511 20 30 GDEDMM Cc1onc(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1-c1nnn[n-]1 ZINC000826348968 609312364 /nfs/dbraw/zinc/31/23/64/609312364.db2.gz NXOHYUSSJDMYAE-UHFFFAOYSA-N -1 1 393.342 1.541 20 30 GDEDMM Cc1onc(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1-c1nn[n-]n1 ZINC000826348968 609312365 /nfs/dbraw/zinc/31/23/65/609312365.db2.gz NXOHYUSSJDMYAE-UHFFFAOYSA-N -1 1 393.342 1.541 20 30 GDEDMM C=CC[C@@H](CO)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823888680 609357139 /nfs/dbraw/zinc/35/71/39/609357139.db2.gz TVXPUJAGNXGKIU-LLVKDONJSA-N -1 1 386.391 1.498 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(CC#N)CC1 ZINC000826328708 609423799 /nfs/dbraw/zinc/42/37/99/609423799.db2.gz ZWTPVIQCJOUZJS-UHFFFAOYSA-N -1 1 393.455 1.611 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(CC#N)CC1 ZINC000826328708 609423801 /nfs/dbraw/zinc/42/38/01/609423801.db2.gz ZWTPVIQCJOUZJS-UHFFFAOYSA-N -1 1 393.455 1.611 20 30 GDEDMM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000533583684 650209435 /nfs/dbraw/zinc/20/94/35/650209435.db2.gz IGFFIAPXUQZEPZ-SNVBAGLBSA-N -1 1 375.447 1.510 20 30 GDEDMM Cc1nc(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)sc1C(=O)[O-] ZINC000548207515 650535655 /nfs/dbraw/zinc/53/56/55/650535655.db2.gz KGLSLPCTCJEBIF-UHFFFAOYSA-N -1 1 387.389 1.821 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2cccc(C#N)c2)c(F)c1 ZINC000477151289 647795696 /nfs/dbraw/zinc/79/56/96/647795696.db2.gz PSFRYCQKKKRCIL-UHFFFAOYSA-N -1 1 383.426 1.547 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CNC(=O)C2)cc1Br ZINC000921656591 660319861 /nfs/dbraw/zinc/31/98/61/660319861.db2.gz WDSCBXVWUGUILZ-QMMMGPOBSA-N -1 1 390.234 1.264 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC(=O)N2)cc1Br ZINC000594868079 652383061 /nfs/dbraw/zinc/38/30/61/652383061.db2.gz VTCQYIURFJZPJS-QMMMGPOBSA-N -1 1 376.207 1.017 20 30 GDEDMM N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750552603 654856133 /nfs/dbraw/zinc/85/61/33/654856133.db2.gz VUCGZPYASAYNRK-UHFFFAOYSA-N -1 1 380.198 1.967 20 30 GDEDMM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)c([O-])c1 ZINC000750825582 654862381 /nfs/dbraw/zinc/86/23/81/654862381.db2.gz NITOSSGCARBQCZ-SQFISAMPSA-N -1 1 380.198 1.411 20 30 GDEDMM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830161838 654933168 /nfs/dbraw/zinc/93/31/68/654933168.db2.gz YXSXHMONXPTRLN-SSDOTTSWSA-N -1 1 379.207 1.690 20 30 GDEDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000793363442 655118002 /nfs/dbraw/zinc/11/80/02/655118002.db2.gz KTRXMVANBRRQNZ-UHFFFAOYSA-N -1 1 380.451 1.824 20 30 GDEDMM C#CC[C@H]([N-]S(=O)(=O)Cc1ccc(Br)c(F)c1)C(=O)OC ZINC000841540390 655341635 /nfs/dbraw/zinc/34/16/35/655341635.db2.gz OURCVDPBVBJXQL-LBPRGKRZSA-N -1 1 378.219 1.573 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OC ZINC000841541598 655341755 /nfs/dbraw/zinc/34/17/55/655341755.db2.gz VMKVAIRVTNWIGA-SECBINFHSA-N -1 1 391.199 1.201 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCOc1ccccc1Br ZINC000826382541 655497721 /nfs/dbraw/zinc/49/77/21/655497721.db2.gz IWYMEKGKDJLSGW-UHFFFAOYSA-N -1 1 375.190 1.359 20 30 GDEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C1CCOCC1 ZINC000851829094 655597699 /nfs/dbraw/zinc/59/76/99/655597699.db2.gz WFYHFUMZLQGUSV-ZDUSSCGKSA-N -1 1 389.832 1.972 20 30 GDEDMM C#CCC1(O)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000882520955 657142290 /nfs/dbraw/zinc/14/22/90/657142290.db2.gz ZBYUNEWIWGWYMF-UHFFFAOYSA-N -1 1 385.201 1.987 20 30 GDEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915218471 660164379 /nfs/dbraw/zinc/16/43/79/660164379.db2.gz ZKRLJJNLQRJWLO-SECBINFHSA-N -1 1 380.235 1.649 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312518 946493512 /nfs/dbraw/zinc/49/35/12/946493512.db2.gz GPPNNCZBOUQXBC-NEPJUHHUSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571312518 946493519 /nfs/dbraw/zinc/49/35/19/946493519.db2.gz GPPNNCZBOUQXBC-NEPJUHHUSA-N -1 1 392.427 1.209 20 30 GDEDMM C=CCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823894551 946505778 /nfs/dbraw/zinc/50/57/78/946505778.db2.gz SVVUQDQNNAZIPZ-ZIAGYGMSSA-N -1 1 385.476 1.622 20 30 GDEDMM C=CCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823894551 946505787 /nfs/dbraw/zinc/50/57/87/946505787.db2.gz SVVUQDQNNAZIPZ-ZIAGYGMSSA-N -1 1 385.476 1.622 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573284599 946753588 /nfs/dbraw/zinc/75/35/88/946753588.db2.gz HAUVTCBGDFPIEV-LSDHHAIUSA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573284599 946753599 /nfs/dbraw/zinc/75/35/99/946753599.db2.gz HAUVTCBGDFPIEV-LSDHHAIUSA-N -1 1 382.472 1.856 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573287105 946828526 /nfs/dbraw/zinc/82/85/26/946828526.db2.gz FCBYPERDGGMMBX-JKSUJKDBSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573287105 946828537 /nfs/dbraw/zinc/82/85/37/946828537.db2.gz FCBYPERDGGMMBX-JKSUJKDBSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2C)nc1 ZINC001573288313 946863007 /nfs/dbraw/zinc/86/30/07/946863007.db2.gz JQJFPGWTRBSUBA-GXTWGEPZSA-N -1 1 389.423 1.057 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2C)nc1 ZINC001573288313 946863024 /nfs/dbraw/zinc/86/30/24/946863024.db2.gz JQJFPGWTRBSUBA-GXTWGEPZSA-N -1 1 389.423 1.057 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573290222 946900041 /nfs/dbraw/zinc/90/00/41/946900041.db2.gz HBLAWFSZCHPSSH-MRXNPFEDSA-N -1 1 388.435 1.284 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573290222 946900047 /nfs/dbraw/zinc/90/00/47/946900047.db2.gz HBLAWFSZCHPSSH-MRXNPFEDSA-N -1 1 388.435 1.284 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001573290378 946904809 /nfs/dbraw/zinc/90/48/09/946904809.db2.gz JEUAOGPWOLDAAC-CQSZACIVSA-N -1 1 390.451 1.212 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001573290378 946904814 /nfs/dbraw/zinc/90/48/14/946904814.db2.gz JEUAOGPWOLDAAC-CQSZACIVSA-N -1 1 390.451 1.212 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)OCC ZINC001573293545 946960651 /nfs/dbraw/zinc/96/06/51/946960651.db2.gz ZYNCEJRQKHXVBU-DZGCQCFKSA-N -1 1 386.460 1.065 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)OCC ZINC001573293545 946960656 /nfs/dbraw/zinc/96/06/56/946960656.db2.gz ZYNCEJRQKHXVBU-DZGCQCFKSA-N -1 1 386.460 1.065 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573565647 947010977 /nfs/dbraw/zinc/01/09/77/947010977.db2.gz SVICQOYXYPJLLV-ZDUSSCGKSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573565647 947010990 /nfs/dbraw/zinc/01/09/90/947010990.db2.gz SVICQOYXYPJLLV-ZDUSSCGKSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC(C)(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573565737 947013013 /nfs/dbraw/zinc/01/30/13/947013013.db2.gz VGLACQRJVKSGFL-QMMMGPOBSA-N -1 1 380.865 1.929 20 30 GDEDMM C=C1CC(C)(C(=O)NCCC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573295374 947017623 /nfs/dbraw/zinc/01/76/23/947017623.db2.gz DKFARAYNMDMKKW-AWEZNQCLSA-N -1 1 382.472 1.878 20 30 GDEDMM C=C1CC(C)(C(=O)NCCC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573295374 947017626 /nfs/dbraw/zinc/01/76/26/947017626.db2.gz DKFARAYNMDMKKW-AWEZNQCLSA-N -1 1 382.472 1.878 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573566028 947021069 /nfs/dbraw/zinc/02/10/69/947021069.db2.gz ZGFULSBXZRBKNX-MRVPVSSYSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567317 947043801 /nfs/dbraw/zinc/04/38/01/947043801.db2.gz LXUKAFOXDMNHPG-UTLUCORTSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573567541 947045599 /nfs/dbraw/zinc/04/55/99/947045599.db2.gz OENARTZSMVRKHR-DTWKUNHWSA-N -1 1 380.865 1.929 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573567541 947045609 /nfs/dbraw/zinc/04/56/09/947045609.db2.gz OENARTZSMVRKHR-DTWKUNHWSA-N -1 1 380.865 1.929 20 30 GDEDMM C=C1CC(C)(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573296609 947049748 /nfs/dbraw/zinc/04/97/48/947049748.db2.gz TYJWMWLREJDBLP-AWEZNQCLSA-N -1 1 382.472 1.878 20 30 GDEDMM C=C1CC(C)(C(=O)NC[C@@H]2CCCCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573296609 947049763 /nfs/dbraw/zinc/04/97/63/947049763.db2.gz TYJWMWLREJDBLP-AWEZNQCLSA-N -1 1 382.472 1.878 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573572050 947108685 /nfs/dbraw/zinc/10/86/85/947108685.db2.gz DKCBJKDBVGBBEG-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573572050 947108693 /nfs/dbraw/zinc/10/86/93/947108693.db2.gz DKCBJKDBVGBBEG-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001573573692 947124038 /nfs/dbraw/zinc/12/40/38/947124038.db2.gz OXDBMINTSHRWGQ-OLBFVZFUSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001573573689 947124155 /nfs/dbraw/zinc/12/41/55/947124155.db2.gz OXDBMINTSHRWGQ-KEMUVXCRSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CCC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573573971 947126148 /nfs/dbraw/zinc/12/61/48/947126148.db2.gz QCNPJILCEZJVRX-UEJVZZJDSA-N -1 1 380.865 1.976 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573305447 947154513 /nfs/dbraw/zinc/15/45/13/947154513.db2.gz CEKOUTWZSUOYSE-ORAYPTAESA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573305447 947154518 /nfs/dbraw/zinc/15/45/18/947154518.db2.gz CEKOUTWZSUOYSE-ORAYPTAESA-N -1 1 384.488 1.980 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573582808 947195734 /nfs/dbraw/zinc/19/57/34/947195734.db2.gz HEYGBQPHXFSNSQ-WBMJQRKESA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573582808 947195740 /nfs/dbraw/zinc/19/57/40/947195740.db2.gz HEYGBQPHXFSNSQ-WBMJQRKESA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573583672 947206379 /nfs/dbraw/zinc/20/63/79/947206379.db2.gz NRJIYGRGWDLJAP-RKDXNWHRSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573583672 947206386 /nfs/dbraw/zinc/20/63/86/947206386.db2.gz NRJIYGRGWDLJAP-RKDXNWHRSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001573585304 947251914 /nfs/dbraw/zinc/25/19/14/947251914.db2.gz NPKGKLHOUGWHHP-ZLKJLUDKSA-N -1 1 375.396 1.010 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001573585304 947251923 /nfs/dbraw/zinc/25/19/23/947251923.db2.gz NPKGKLHOUGWHHP-ZLKJLUDKSA-N -1 1 375.396 1.010 20 30 GDEDMM C=CC[C@@H](C(=O)NC/C=C\CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318383 947307065 /nfs/dbraw/zinc/30/70/65/947307065.db2.gz AZTPDONNHOUULO-MWWKQMNYSA-N -1 1 390.451 1.523 20 30 GDEDMM C=CCC1(C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001573325297 947357614 /nfs/dbraw/zinc/35/76/14/947357614.db2.gz AJEZLHRWNDIUKO-UHFFFAOYSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCC1(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573326092 947367758 /nfs/dbraw/zinc/36/77/58/947367758.db2.gz KNAKXSBTKJZVQJ-ZDUSSCGKSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCC1(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573326092 947367772 /nfs/dbraw/zinc/36/77/72/947367772.db2.gz KNAKXSBTKJZVQJ-ZDUSSCGKSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001573329045 947419042 /nfs/dbraw/zinc/41/90/42/947419042.db2.gz GTJFOVSZTQVIMD-SNPRPXQTSA-N -1 1 380.456 1.629 20 30 GDEDMM C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001573329045 947419046 /nfs/dbraw/zinc/41/90/46/947419046.db2.gz GTJFOVSZTQVIMD-SNPRPXQTSA-N -1 1 380.456 1.629 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001573334814 947463895 /nfs/dbraw/zinc/46/38/95/947463895.db2.gz RZICLNVAHQIRMB-HOCLYGCPSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001573334814 947463902 /nfs/dbraw/zinc/46/39/02/947463902.db2.gz RZICLNVAHQIRMB-HOCLYGCPSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573336026 947498538 /nfs/dbraw/zinc/49/85/38/947498538.db2.gz HHFAEDSDNRWTLO-IHRRRGAJSA-N -1 1 386.460 1.477 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573336026 947498544 /nfs/dbraw/zinc/49/85/44/947498544.db2.gz HHFAEDSDNRWTLO-IHRRRGAJSA-N -1 1 386.460 1.477 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573336672 947509611 /nfs/dbraw/zinc/50/96/11/947509611.db2.gz PWRXPWXXRQKEIG-KBPBESRZSA-N -1 1 386.460 1.065 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573350344 947594586 /nfs/dbraw/zinc/59/45/86/947594586.db2.gz ALBOBTDHILRFHD-HIFRSBDPSA-N -1 1 398.471 1.255 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573350344 947594598 /nfs/dbraw/zinc/59/45/98/947594598.db2.gz ALBOBTDHILRFHD-HIFRSBDPSA-N -1 1 398.471 1.255 20 30 GDEDMM CC#CCCCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573359124 947678949 /nfs/dbraw/zinc/67/89/49/947678949.db2.gz VRFVCETYRPIYLJ-LSDHHAIUSA-N -1 1 380.456 1.690 20 30 GDEDMM CC#CCCCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573359124 947678958 /nfs/dbraw/zinc/67/89/58/947678958.db2.gz VRFVCETYRPIYLJ-LSDHHAIUSA-N -1 1 380.456 1.690 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000826383163 948183030 /nfs/dbraw/zinc/18/30/30/948183030.db2.gz NJXGMSMJWZPWGN-UHFFFAOYSA-N -1 1 376.424 1.416 20 30 GDEDMM CC(C)(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573788192 949196262 /nfs/dbraw/zinc/19/62/62/949196262.db2.gz IDPZRIALMWBSFL-OKILXGFUSA-N -1 1 380.456 1.276 20 30 GDEDMM CC(C)(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573788192 949196283 /nfs/dbraw/zinc/19/62/83/949196283.db2.gz IDPZRIALMWBSFL-OKILXGFUSA-N -1 1 380.456 1.276 20 30 GDEDMM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573860374 950422883 /nfs/dbraw/zinc/42/28/83/950422883.db2.gz IANNZIPHCLKDTE-WDEREUQCSA-N -1 1 385.432 1.634 20 30 GDEDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573860691 950432363 /nfs/dbraw/zinc/43/23/63/950432363.db2.gz MICNWHLKPTZLRA-MNOVXSKESA-N -1 1 385.432 1.634 20 30 GDEDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573860691 950432376 /nfs/dbraw/zinc/43/23/76/950432376.db2.gz MICNWHLKPTZLRA-MNOVXSKESA-N -1 1 385.432 1.634 20 30 GDEDMM C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC001573356970 963012104 /nfs/dbraw/zinc/01/21/04/963012104.db2.gz HNGKBVKQGTTYQX-LBPRGKRZSA-N -1 1 376.381 1.169 20 30 GDEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC000484553294 974220888 /nfs/dbraw/zinc/22/08/88/974220888.db2.gz BQHZDUKAFQJQTO-UHFFFAOYSA-N -1 1 376.346 1.795 20 30 GDEDMM C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001588910140 984547618 /nfs/dbraw/zinc/54/76/18/984547618.db2.gz MSUAQSXFTDCKPU-FPCVCCKLSA-N -1 1 375.473 1.547 20 30 GDEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@@H](O)C(=O)[O-])CC3)n[nH]2)c1C ZINC001588912314 984551012 /nfs/dbraw/zinc/55/10/12/984551012.db2.gz FARXMBMZJINBPB-QGZVFWFLSA-N -1 1 387.440 1.374 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N(CC#N)CCC(=O)[O-])[nH]n2)C1 ZINC001589992090 988900535 /nfs/dbraw/zinc/90/05/35/988900535.db2.gz ONOBKVYHERKOAN-LBPRGKRZSA-N -1 1 391.428 1.575 20 30 GDEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001599712839 991401203 /nfs/dbraw/zinc/40/12/03/991401203.db2.gz NFTXVMOTNZIABS-ARFHVFGLSA-N -1 1 389.452 1.942 20 30 GDEDMM CS(=O)(=O)Nc1cccc(F)c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599760748 992118013 /nfs/dbraw/zinc/11/80/13/992118013.db2.gz SQQZZEQOEBQAAP-INIZCTEOSA-N -1 1 377.397 1.984 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1Cl ZINC000062930963 530743431 /nfs/dbraw/zinc/74/34/31/530743431.db2.gz VBFKAUWQTWNTSW-UHFFFAOYSA-N -1 1 385.854 1.801 20 30 GDEDMM C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000104133078 530837874 /nfs/dbraw/zinc/83/78/74/530837874.db2.gz BYGVQLSRHXIWLN-UHFFFAOYSA-N -1 1 394.269 1.052 20 30 GDEDMM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(SC)n1 ZINC000349463291 531211620 /nfs/dbraw/zinc/21/16/20/531211620.db2.gz UICSIMPSJMLMNG-UHFFFAOYSA-N -1 1 391.540 1.220 20 30 GDEDMM CC1(C)CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000349519978 531290791 /nfs/dbraw/zinc/29/07/91/531290791.db2.gz IYTHBVUVHLLSAE-UHFFFAOYSA-N -1 1 386.499 1.289 20 30 GDEDMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N ZINC000349572456 531346419 /nfs/dbraw/zinc/34/64/19/531346419.db2.gz HULJFGLTAQNDIY-SNVBAGLBSA-N -1 1 394.906 1.254 20 30 GDEDMM 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C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573295199 947010719 /nfs/dbraw/zinc/01/07/19/947010719.db2.gz AQQOSBXZIHYGTO-CYBMUJFWSA-N -1 1 395.427 1.207 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573295397 947016497 /nfs/dbraw/zinc/01/64/97/947016497.db2.gz PZFNDJLGCNUATN-AXHNFQJDSA-N -1 1 398.471 1.288 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573295397 947016506 /nfs/dbraw/zinc/01/65/06/947016506.db2.gz PZFNDJLGCNUATN-AXHNFQJDSA-N -1 1 398.471 1.288 20 30 GDEDMM C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)C1 ZINC001573296694 947052680 /nfs/dbraw/zinc/05/26/80/947052680.db2.gz XFBGAVIIKPKYRV-JLTOFOAXSA-N -1 1 394.483 1.878 20 30 GDEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1)OCC ZINC001573299881 947102039 /nfs/dbraw/zinc/10/20/39/947102039.db2.gz MCUCAGXAZOUGKI-OLZOCXBDSA-N -1 1 391.501 1.698 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573305156 947149874 /nfs/dbraw/zinc/14/98/74/947149874.db2.gz MSOGSZLVVDOHLT-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573305156 947149879 /nfs/dbraw/zinc/14/98/79/947149879.db2.gz MSOGSZLVVDOHLT-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573305167 947150076 /nfs/dbraw/zinc/15/00/76/947150076.db2.gz MXVOWMNKODPUEQ-CQSZACIVSA-N -1 1 384.488 1.934 20 30 GDEDMM C=CC(C)(C)CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573305167 947150082 /nfs/dbraw/zinc/15/00/82/947150082.db2.gz MXVOWMNKODPUEQ-CQSZACIVSA-N -1 1 384.488 1.934 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001573305541 947156245 /nfs/dbraw/zinc/15/62/45/947156245.db2.gz ROTOXOVGMOUROM-MJBXVCDLSA-N -1 1 382.472 1.651 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001573305541 947156251 /nfs/dbraw/zinc/15/62/51/947156251.db2.gz ROTOXOVGMOUROM-MJBXVCDLSA-N -1 1 382.472 1.651 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573306064 947166001 /nfs/dbraw/zinc/16/60/01/947166001.db2.gz WXSKCGUGSNLMNC-BFHYXJOUSA-N -1 1 382.472 1.590 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573306064 947166007 /nfs/dbraw/zinc/16/60/07/947166007.db2.gz WXSKCGUGSNLMNC-BFHYXJOUSA-N -1 1 382.472 1.590 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573582615 947193202 /nfs/dbraw/zinc/19/32/02/947193202.db2.gz FQBVODINGVRBBN-DTWKUNHWSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573582615 947193210 /nfs/dbraw/zinc/19/32/10/947193210.db2.gz FQBVODINGVRBBN-DTWKUNHWSA-N -1 1 380.865 1.469 20 30 GDEDMM CCN(c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1)C(C)C ZINC000825445186 947193249 /nfs/dbraw/zinc/19/32/49/947193249.db2.gz WZOSAYZAZZWOIC-UHFFFAOYSA-N -1 1 379.428 1.808 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573583668 947206566 /nfs/dbraw/zinc/20/65/66/947206566.db2.gz NRJIYGRGWDLJAP-DTWKUNHWSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573583668 947206576 /nfs/dbraw/zinc/20/65/76/947206576.db2.gz NRJIYGRGWDLJAP-DTWKUNHWSA-N -1 1 380.865 1.469 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309691 947207831 /nfs/dbraw/zinc/20/78/31/947207831.db2.gz MXIBILGUDGCMFE-SCLBCKFNSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309691 947207837 /nfs/dbraw/zinc/20/78/37/947207837.db2.gz MXIBILGUDGCMFE-SCLBCKFNSA-N -1 1 386.460 1.288 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573584233 947216842 /nfs/dbraw/zinc/21/68/42/947216842.db2.gz RRFXWDOSCQNGPH-MLGOLLRUSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573584233 947216851 /nfs/dbraw/zinc/21/68/51/947216851.db2.gz RRFXWDOSCQNGPH-MLGOLLRUSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CCCCCC1 ZINC001573584445 947220772 /nfs/dbraw/zinc/22/07/72/947220772.db2.gz WBYUCELZMMQHTF-CYBMUJFWSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@H](C#N)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001573584445 947220783 /nfs/dbraw/zinc/22/07/83/947220783.db2.gz WBYUCELZMMQHTF-CYBMUJFWSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001573584553 947227118 /nfs/dbraw/zinc/22/71/18/947227118.db2.gz XYSXHIBSXLTABM-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001573584553 947227133 /nfs/dbraw/zinc/22/71/33/947227133.db2.gz XYSXHIBSXLTABM-IUCAKERBSA-N 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C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001573585736 947268942 /nfs/dbraw/zinc/26/89/42/947268942.db2.gz VQRIYFBCEQGUMA-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001573585736 947268950 /nfs/dbraw/zinc/26/89/50/947268950.db2.gz VQRIYFBCEQGUMA-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573320262 947344484 /nfs/dbraw/zinc/34/44/84/947344484.db2.gz VZIHMPAHMZRHBY-OKILXGFUSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573320262 947344494 /nfs/dbraw/zinc/34/44/94/947344494.db2.gz VZIHMPAHMZRHBY-OKILXGFUSA-N -1 1 382.472 1.829 20 30 GDEDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000825966162 947386792 /nfs/dbraw/zinc/38/67/92/947386792.db2.gz QQTABYDMVLBSNJ-UHFFFAOYSA-N -1 1 391.222 1.900 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573330594 947435411 /nfs/dbraw/zinc/43/54/11/947435411.db2.gz ZKEIENFFAISCRY-GDBMZVCRSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573330594 947435413 /nfs/dbraw/zinc/43/54/13/947435413.db2.gz ZKEIENFFAISCRY-GDBMZVCRSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573336723 947509280 /nfs/dbraw/zinc/50/92/80/947509280.db2.gz QNSZSZWDODZYEL-GXTWGEPZSA-N -1 1 386.460 1.287 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573336723 947509284 /nfs/dbraw/zinc/50/92/84/947509284.db2.gz QNSZSZWDODZYEL-GXTWGEPZSA-N -1 1 386.460 1.287 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573336840 947510723 /nfs/dbraw/zinc/51/07/23/947510723.db2.gz RVAORWCDTMQOPC-CYBMUJFWSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573336840 947510731 /nfs/dbraw/zinc/51/07/31/947510731.db2.gz RVAORWCDTMQOPC-CYBMUJFWSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573336991 947511756 /nfs/dbraw/zinc/51/17/56/947511756.db2.gz SJAYVTVKHQVIFY-ZIAGYGMSSA-N -1 1 386.460 1.255 20 30 GDEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573336991 947511759 /nfs/dbraw/zinc/51/17/59/947511759.db2.gz SJAYVTVKHQVIFY-ZIAGYGMSSA-N -1 1 386.460 1.255 20 30 GDEDMM C=CCOCCCC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573342808 947547555 /nfs/dbraw/zinc/54/75/55/947547555.db2.gz DWXQJQVERDKWPD-UHFFFAOYSA-N -1 1 386.460 1.067 20 30 GDEDMM C=CCOCCCC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573342808 947547567 /nfs/dbraw/zinc/54/75/67/947547567.db2.gz DWXQJQVERDKWPD-UHFFFAOYSA-N -1 1 386.460 1.067 20 30 GDEDMM COc1cc(CN=Nc2oc(C)nc2-c2nn[nH]n2)ccc1OCCC(=O)[O-] ZINC000826178642 947552874 /nfs/dbraw/zinc/55/28/74/947552874.db2.gz GRPIQXGCULTZKF-UHFFFAOYSA-N -1 1 387.356 1.471 20 30 GDEDMM C=CCOCC(=O)N1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573343964 947564418 /nfs/dbraw/zinc/56/44/18/947564418.db2.gz VEXZPGUAVZDPIQ-UHFFFAOYSA-N -1 1 383.865 1.582 20 30 GDEDMM C=CCOCC(=O)N1CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573343964 947564427 /nfs/dbraw/zinc/56/44/27/947564427.db2.gz VEXZPGUAVZDPIQ-UHFFFAOYSA-N -1 1 383.865 1.582 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001573351596 947616341 /nfs/dbraw/zinc/61/63/41/947616341.db2.gz TWXHTGAITGQKGF-NEPJUHHUSA-N -1 1 377.474 1.483 20 30 GDEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(-c3ccc(F)c(Cl)c3)nn2)o1 ZINC000826323311 947945039 /nfs/dbraw/zinc/94/50/39/947945039.db2.gz ZEDTXJMEPWMHFF-UHFFFAOYSA-N -1 1 388.754 1.982 20 30 GDEDMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574684298 948864608 /nfs/dbraw/zinc/86/46/08/948864608.db2.gz DJIHYCDWGHSXCL-SSDOTTSWSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574684298 948864621 /nfs/dbraw/zinc/86/46/21/948864621.db2.gz DJIHYCDWGHSXCL-SSDOTTSWSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574685760 948918583 /nfs/dbraw/zinc/91/85/83/948918583.db2.gz ZQYKXDIQCYAKRG-ZETCQYMHSA-N -1 1 391.848 1.797 20 30 GDEDMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574685760 948918598 /nfs/dbraw/zinc/91/85/98/948918598.db2.gz ZQYKXDIQCYAKRG-ZETCQYMHSA-N -1 1 391.848 1.797 20 30 GDEDMM CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573792994 949278004 /nfs/dbraw/zinc/27/80/04/949278004.db2.gz HUIBAQPJYCFGIY-MJBXVCDLSA-N -1 1 380.456 1.180 20 30 GDEDMM CC(C)n1cc(C2=CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)nn1 ZINC001574455122 949298557 /nfs/dbraw/zinc/29/85/57/949298557.db2.gz LUHYWMHSPATFIT-UHFFFAOYSA-N -1 1 377.416 1.385 20 30 GDEDMM C[C@H]1CCCN(C(=O)C#CC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166069 949577392 /nfs/dbraw/zinc/57/73/92/949577392.db2.gz LAQUTFKWLUVKML-ZFWWWQNUSA-N -1 1 382.472 1.745 20 30 GDEDMM C[C@H]1CCCN(C(=O)C#CC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166069 949577401 /nfs/dbraw/zinc/57/74/01/949577401.db2.gz LAQUTFKWLUVKML-ZFWWWQNUSA-N -1 1 382.472 1.745 20 30 GDEDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C#N)C1 ZINC001573852041 950295966 /nfs/dbraw/zinc/29/59/66/950295966.db2.gz BQJVVJXMYKPUJR-ONGXEEELSA-N -1 1 389.441 1.417 20 30 GDEDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C#N)C1 ZINC001573852041 950295978 /nfs/dbraw/zinc/29/59/78/950295978.db2.gz BQJVVJXMYKPUJR-ONGXEEELSA-N -1 1 389.441 1.417 20 30 GDEDMM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001573853145 950315495 /nfs/dbraw/zinc/31/54/95/950315495.db2.gz MBAIOUKAXIMMIE-WCQYABFASA-N -1 1 397.443 1.364 20 30 GDEDMM CC(C)(C)OC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1(C)C ZINC001573861309 950444464 /nfs/dbraw/zinc/44/44/64/950444464.db2.gz XWKLWAKXYUFBMZ-LLVKDONJSA-N -1 1 385.432 1.268 20 30 GDEDMM CC(C)(C)OC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1(C)C ZINC001573861309 950444477 /nfs/dbraw/zinc/44/44/77/950444477.db2.gz XWKLWAKXYUFBMZ-LLVKDONJSA-N -1 1 385.432 1.268 20 30 GDEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574996337 950526396 /nfs/dbraw/zinc/52/63/96/950526396.db2.gz LLWFWPXNSXSOTI-ZETCQYMHSA-N -1 1 391.848 1.431 20 30 GDEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574996683 950529809 /nfs/dbraw/zinc/52/98/09/950529809.db2.gz OHVHRWZJUBPZKF-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574996683 950529821 /nfs/dbraw/zinc/52/98/21/950529821.db2.gz OHVHRWZJUBPZKF-ZCFIWIBFSA-N -1 1 377.821 1.407 20 30 GDEDMM C[C@@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCCN1C(=O)c1ccccc1 ZINC001575614807 950550961 /nfs/dbraw/zinc/55/09/61/950550961.db2.gz QMHYRQGRIHUPRP-SFHVURJKSA-N -1 1 391.395 1.095 20 30 GDEDMM C[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576213671 950640071 /nfs/dbraw/zinc/64/00/71/950640071.db2.gz GANTWCYSEYWGBX-VXGBXAGGSA-N -1 1 399.459 1.515 20 30 GDEDMM N#Cc1ncc(N2CCc3ccc(Br)cc3C2)nc1-c1nn[n-]n1 ZINC001571217974 953111581 /nfs/dbraw/zinc/11/15/81/953111581.db2.gz JSNZCCAYKRPVHJ-UHFFFAOYSA-N -1 1 383.213 1.854 20 30 GDEDMM Cc1ccc(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594342662 958306978 /nfs/dbraw/zinc/30/69/78/958306978.db2.gz LVFJVTLUGWBUOR-STQMWFEESA-N -1 1 383.326 1.603 20 30 GDEDMM N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001574489115 961702605 /nfs/dbraw/zinc/70/26/05/961702605.db2.gz HGOMGPXZAQCTLS-IZYAJXRASA-N -1 1 395.337 1.694 20 30 GDEDMM C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001573314084 962741204 /nfs/dbraw/zinc/74/12/04/962741204.db2.gz WSUYGRCXOVBJSV-HXUWFJFHSA-N -1 1 380.404 1.691 20 30 GDEDMM C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001573314083 962741308 /nfs/dbraw/zinc/74/13/08/962741308.db2.gz WSUYGRCXOVBJSV-FQEVSTJZSA-N -1 1 380.404 1.691 20 30 GDEDMM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1C#N ZINC001594344131 970208793 /nfs/dbraw/zinc/20/87/93/970208793.db2.gz IZYVYQOFBQLIIV-CHWSQXEVSA-N -1 1 383.326 1.603 20 30 GDEDMM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC001589878550 988548531 /nfs/dbraw/zinc/54/85/31/988548531.db2.gz QCSNUULXUQOTJC-INIZCTEOSA-N -1 1 385.420 1.886 20 30 GDEDMM Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006316599 530541367 /nfs/dbraw/zinc/54/13/67/530541367.db2.gz DTRYDIGLGWNXCV-UHFFFAOYSA-N -1 1 379.463 1.918 20 30 GDEDMM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190873900 530939520 /nfs/dbraw/zinc/93/95/20/530939520.db2.gz LCPPYRUGSFGOJD-UHFFFAOYSA-N -1 1 385.642 1.822 20 30 GDEDMM CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000471915547 531214368 /nfs/dbraw/zinc/21/43/68/531214368.db2.gz QYRSYVIUHGHRKD-UHFFFAOYSA-N -1 1 375.447 1.654 20 30 GDEDMM C[C@H](C#N)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349473289 531221570 /nfs/dbraw/zinc/22/15/70/531221570.db2.gz RPOVBLOSFFUTNA-SNVBAGLBSA-N -1 1 381.426 1.010 20 30 GDEDMM CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000433885443 531237476 /nfs/dbraw/zinc/23/74/76/531237476.db2.gz ZGIIRXXJQWHCKC-UHFFFAOYSA-N -1 1 386.231 1.248 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCS(=O)CC2)cc1Br ZINC000408462364 531243138 /nfs/dbraw/zinc/24/31/38/531243138.db2.gz YNSSYDONJXUXDO-UHFFFAOYSA-N -1 1 395.275 1.649 20 30 GDEDMM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)CCC1 ZINC000349583042 531357637 /nfs/dbraw/zinc/35/76/37/531357637.db2.gz XHGNCRCRSPWBDL-UHFFFAOYSA-N -1 1 386.499 1.195 20 30 GDEDMM CN(C1CCC1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000349605076 531386355 /nfs/dbraw/zinc/38/63/55/531386355.db2.gz UOIVICUOACEJAI-UHFFFAOYSA-N -1 1 386.499 1.289 20 30 GDEDMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295162105 531529601 /nfs/dbraw/zinc/52/96/01/531529601.db2.gz NIHOOTOAKGUAEC-ZETCQYMHSA-N -1 1 399.263 1.171 20 30 GDEDMM C[C@@H](CCNS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561552137 531710954 /nfs/dbraw/zinc/71/09/54/531710954.db2.gz DTEVLMDCJAAUNT-LBPRGKRZSA-N -1 1 383.451 1.187 20 30 GDEDMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C ZINC000619461532 531705056 /nfs/dbraw/zinc/70/50/56/531705056.db2.gz QYGGOUURVKQLLA-UHFFFAOYSA-N -1 1 379.463 1.770 20 30 GDEDMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)o1 ZINC000597933948 531959954 /nfs/dbraw/zinc/95/99/54/531959954.db2.gz STSCVZGMDQHYRZ-UHFFFAOYSA-N -1 1 380.451 1.083 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000576937872 532031174 /nfs/dbraw/zinc/03/11/74/532031174.db2.gz AFEGJHPHBHPKGV-KGLIPLIRSA-N -1 1 392.474 1.599 20 30 GDEDMM CC[C@@H]1C[C@@H](C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)CCO1 ZINC000329903791 532109875 /nfs/dbraw/zinc/10/98/75/532109875.db2.gz QOHYWSBLXHQURM-WDEREUQCSA-N -1 1 377.488 1.597 20 30 GDEDMM C=C(COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(=O)OCC ZINC000735402245 598921297 /nfs/dbraw/zinc/92/12/97/598921297.db2.gz NYEDGCCSBVYVPD-UHFFFAOYSA-N -1 1 399.411 1.121 20 30 GDEDMM C=C(COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(=O)OCC ZINC000735402245 598921298 /nfs/dbraw/zinc/92/12/98/598921298.db2.gz NYEDGCCSBVYVPD-UHFFFAOYSA-N -1 1 399.411 1.121 20 30 GDEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C#N ZINC000737504453 599132935 /nfs/dbraw/zinc/13/29/35/599132935.db2.gz ZEDQUKKEINXPOI-UHFFFAOYSA-N -1 1 386.375 1.985 20 30 GDEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C#N ZINC000737504453 599132937 /nfs/dbraw/zinc/13/29/37/599132937.db2.gz ZEDQUKKEINXPOI-UHFFFAOYSA-N -1 1 386.375 1.985 20 30 GDEDMM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737717500 599143189 /nfs/dbraw/zinc/14/31/89/599143189.db2.gz DSJFGGNSQYIKAZ-UHFFFAOYSA-N -1 1 383.755 1.582 20 30 GDEDMM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737717500 599143191 /nfs/dbraw/zinc/14/31/91/599143191.db2.gz DSJFGGNSQYIKAZ-UHFFFAOYSA-N -1 1 383.755 1.582 20 30 GDEDMM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737101404 599152632 /nfs/dbraw/zinc/15/26/32/599152632.db2.gz FYUVGECCLIRHSY-NSHDSACASA-N -1 1 397.782 1.885 20 30 GDEDMM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000736329378 598285066 /nfs/dbraw/zinc/28/50/66/598285066.db2.gz TVCUHLCNEVHHGR-SECBINFHSA-N -1 1 391.399 1.738 20 30 GDEDMM N#Cc1[n-]c(NC(=O)c2ccc(F)c(Br)c2)nc1-c1nn[nH]n1 ZINC000822815712 599315778 /nfs/dbraw/zinc/31/57/78/599315778.db2.gz YFYAUWVWBVIYDW-UHFFFAOYSA-N -1 1 377.137 1.615 20 30 GDEDMM COc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)o2)c(OC)c1 ZINC000821731432 599334274 /nfs/dbraw/zinc/33/42/74/599334274.db2.gz CZLGJVXPCBSCAB-UHFFFAOYSA-N -1 1 398.408 1.906 20 30 GDEDMM COc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)o2)c(OC)c1 ZINC000821731432 599334278 /nfs/dbraw/zinc/33/42/78/599334278.db2.gz CZLGJVXPCBSCAB-UHFFFAOYSA-N -1 1 398.408 1.906 20 30 GDEDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824641355 607586432 /nfs/dbraw/zinc/58/64/32/607586432.db2.gz UYFOFKBQQDXPHO-SNVBAGLBSA-N -1 1 399.392 1.686 20 30 GDEDMM COc1ccc(C#N)cc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826187044 607641137 /nfs/dbraw/zinc/64/11/37/607641137.db2.gz WZXLJBFELJKNNM-ZDUSSCGKSA-N -1 1 391.439 1.248 20 30 GDEDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000824641048 607655900 /nfs/dbraw/zinc/65/59/00/607655900.db2.gz RRMFZWOSNZBMID-SNVBAGLBSA-N -1 1 399.392 1.686 20 30 GDEDMM O=C([O-])Nc1ncccc1C=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000834283266 605956150 /nfs/dbraw/zinc/95/61/50/605956150.db2.gz MCOITGVFJAMLRG-UHFFFAOYSA-N -1 1 390.425 1.797 20 30 GDEDMM C=CCCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000819734090 606236466 /nfs/dbraw/zinc/23/64/66/606236466.db2.gz ICIIMTQHULCMTB-UHFFFAOYSA-N -1 1 381.396 1.890 20 30 GDEDMM C=CCCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000819734090 606236467 /nfs/dbraw/zinc/23/64/67/606236467.db2.gz ICIIMTQHULCMTB-UHFFFAOYSA-N -1 1 381.396 1.890 20 30 GDEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822801668 606432842 /nfs/dbraw/zinc/43/28/42/606432842.db2.gz LUEXUTHSKKIRQW-WBVHZDCISA-N -1 1 395.448 1.722 20 30 GDEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822801668 606432844 /nfs/dbraw/zinc/43/28/44/606432844.db2.gz LUEXUTHSKKIRQW-WBVHZDCISA-N -1 1 395.448 1.722 20 30 GDEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000822609410 606580151 /nfs/dbraw/zinc/58/01/51/606580151.db2.gz NOFYZKDVDUFJRN-DZGCQCFKSA-N -1 1 377.412 1.904 20 30 GDEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000822609410 606580153 /nfs/dbraw/zinc/58/01/53/606580153.db2.gz NOFYZKDVDUFJRN-DZGCQCFKSA-N -1 1 377.412 1.904 20 30 GDEDMM C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(Br)cc1 ZINC000824052153 608384733 /nfs/dbraw/zinc/38/47/33/608384733.db2.gz LTYKUULBRYEERM-SSDOTTSWSA-N -1 1 387.201 1.966 20 30 GDEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000826263709 609267476 /nfs/dbraw/zinc/26/74/76/609267476.db2.gz MYJDNHOKNSSVAF-UHFFFAOYSA-N -1 1 388.395 1.825 20 30 GDEDMM C=CCCOCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823899450 609362771 /nfs/dbraw/zinc/36/27/71/609362771.db2.gz WJLPGIQIYNLTMP-UHFFFAOYSA-N -1 1 386.391 1.906 20 30 GDEDMM CC(C)c1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000349493702 645549763 /nfs/dbraw/zinc/54/97/63/645549763.db2.gz BGLXUJKRRHRQCP-UHFFFAOYSA-N -1 1 386.499 1.122 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2COCCC2=O)cc1Br ZINC000625491550 653035797 /nfs/dbraw/zinc/03/57/97/653035797.db2.gz FUUCVKAUOQSZPX-JTQLQIEISA-N -1 1 377.191 1.096 20 30 GDEDMM CC(CS(=O)(=O)c1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000735406742 654561788 /nfs/dbraw/zinc/56/17/88/654561788.db2.gz NSAYYCSWPFRCSB-UHFFFAOYSA-N -1 1 377.447 1.575 20 30 GDEDMM N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3c[nH]nc3Cl)C2=O)cc1 ZINC000831063568 654967772 /nfs/dbraw/zinc/96/77/72/654967772.db2.gz QQPYQAOEONNHQY-GFCCVEGCSA-N -1 1 379.829 1.409 20 30 GDEDMM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047344 655039804 /nfs/dbraw/zinc/03/98/04/655039804.db2.gz FGNNWYYIMUPMHO-VIFPVBQESA-N -1 1 380.813 1.618 20 30 GDEDMM C#CCCN1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000760868529 655128705 /nfs/dbraw/zinc/12/87/05/655128705.db2.gz ISWBDQFNXCQRTC-UHFFFAOYSA-N -1 1 384.217 1.778 20 30 GDEDMM N#Cc1ncn(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000809845183 655142161 /nfs/dbraw/zinc/14/21/61/655142161.db2.gz GMGRTHDXRJONHT-UHFFFAOYSA-N -1 1 391.196 1.343 20 30 GDEDMM C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000795974612 655198904 /nfs/dbraw/zinc/19/89/04/655198904.db2.gz GBTGHGMEDFKTSF-JTQLQIEISA-N -1 1 380.249 1.833 20 30 GDEDMM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795977464 655199190 /nfs/dbraw/zinc/19/91/90/655199190.db2.gz SQDXOMOWHSCXAY-QMMMGPOBSA-N -1 1 395.206 1.549 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(=O)OC ZINC000841540497 655341603 /nfs/dbraw/zinc/34/16/03/655341603.db2.gz PTMXKGUQJFWBJD-LLVKDONJSA-N -1 1 377.777 1.109 20 30 GDEDMM C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848963240 655510900 /nfs/dbraw/zinc/51/09/00/655510900.db2.gz NHIIPOUXOJUXJM-NSHDSACASA-N -1 1 379.891 1.198 20 30 GDEDMM C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000848963709 655511100 /nfs/dbraw/zinc/51/11/00/655511100.db2.gz ZTNYQBZALRDNML-HNNXBMFYSA-N -1 1 385.511 1.033 20 30 GDEDMM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1sc(CC)nc1C ZINC000848965437 655512441 /nfs/dbraw/zinc/51/24/41/655512441.db2.gz PGLVUERBYJTLBA-SNVBAGLBSA-N -1 1 379.529 1.087 20 30 GDEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000859064288 655761345 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C#CCCCC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001573282925 946701847 /nfs/dbraw/zinc/70/18/47/946701847.db2.gz DEKRZWVWMIYJNI-GHMZBOCLSA-N -1 1 393.904 1.969 20 30 GDEDMM C#CCCCC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001573282925 946701856 /nfs/dbraw/zinc/70/18/56/946701856.db2.gz DEKRZWVWMIYJNI-GHMZBOCLSA-N -1 1 393.904 1.969 20 30 GDEDMM C#CCN(C(=O)[C@H](C)OC)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573284050 946734488 /nfs/dbraw/zinc/73/44/88/946734488.db2.gz ZUKPIAASPOTECM-LBPRGKRZSA-N -1 1 389.485 1.097 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573284240 946739930 /nfs/dbraw/zinc/73/99/30/946739930.db2.gz WHZUWAIGSFDULS-HNNXBMFYSA-N -1 1 382.472 1.525 20 30 GDEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573284412 946745339 /nfs/dbraw/zinc/74/53/39/946745339.db2.gz AZQXOCIVJCWDTI-AWEZNQCLSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573284412 946745350 /nfs/dbraw/zinc/74/53/50/946745350.db2.gz AZQXOCIVJCWDTI-AWEZNQCLSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573284413 946746087 /nfs/dbraw/zinc/74/60/87/946746087.db2.gz AZQXOCIVJCWDTI-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573284413 946746101 /nfs/dbraw/zinc/74/61/01/946746101.db2.gz AZQXOCIVJCWDTI-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM C#CCO[C@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573287577 946841413 /nfs/dbraw/zinc/84/14/13/946841413.db2.gz NRXDIYALVWBQNE-GFCCVEGCSA-N -1 1 389.485 1.368 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573287995 946852706 /nfs/dbraw/zinc/85/27/06/946852706.db2.gz HEIAQCSZQPRKSR-CJNGLKHVSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573287995 946852717 /nfs/dbraw/zinc/85/27/17/946852717.db2.gz HEIAQCSZQPRKSR-CJNGLKHVSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573288756 946877879 /nfs/dbraw/zinc/87/78/79/946877879.db2.gz TWIMAUHOFTWEON-CYBMUJFWSA-N -1 1 376.424 1.283 20 30 GDEDMM C#Cc1cncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001573292132 946927727 /nfs/dbraw/zinc/92/77/27/946927727.db2.gz OZXUEOZIWLDIGZ-HNNXBMFYSA-N -1 1 389.423 1.058 20 30 GDEDMM C#Cc1cncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001573292132 946927735 /nfs/dbraw/zinc/92/77/35/946927735.db2.gz OZXUEOZIWLDIGZ-HNNXBMFYSA-N -1 1 389.423 1.058 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573292875 946942682 /nfs/dbraw/zinc/94/26/82/946942682.db2.gz GBIHROPAKDOKIT-KGLIPLIRSA-N -1 1 384.488 1.577 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1cnc(-c2nnn[n-]2)cn1)Cc1ccccc1 ZINC001573560438 946951020 /nfs/dbraw/zinc/95/10/20/946951020.db2.gz CNYSDZIIPQNXGG-CYBMUJFWSA-N -1 1 377.412 1.257 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCNc1cnc(-c2nn[n-]n2)cn1)Cc1ccccc1 ZINC001573560438 946951039 /nfs/dbraw/zinc/95/10/39/946951039.db2.gz CNYSDZIIPQNXGG-CYBMUJFWSA-N -1 1 377.412 1.257 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)CCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573293374 946956540 /nfs/dbraw/zinc/95/65/40/946956540.db2.gz UNANWRLFRRTIKM-UHFFFAOYSA-N -1 1 388.476 1.170 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N(C)CCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573293374 946956548 /nfs/dbraw/zinc/95/65/48/946956548.db2.gz UNANWRLFRRTIKM-UHFFFAOYSA-N -1 1 388.476 1.170 20 30 GDEDMM C[C@H](C#N)C(=O)N(C)[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573562644 946976766 /nfs/dbraw/zinc/97/67/66/946976766.db2.gz VGRBSIPKUMPOCD-VXNVDRBHSA-N -1 1 380.865 1.785 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573294566 946993152 /nfs/dbraw/zinc/99/31/52/946993152.db2.gz IBSKOSMMVUGGKO-ZQIUZPCESA-N -1 1 398.471 1.431 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573294566 946993161 /nfs/dbraw/zinc/99/31/61/946993161.db2.gz IBSKOSMMVUGGKO-ZQIUZPCESA-N -1 1 398.471 1.431 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573294935 947002806 /nfs/dbraw/zinc/00/28/06/947002806.db2.gz MKVPTZIVILMSPI-DZKIICNBSA-N -1 1 398.471 1.287 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573294935 947002819 /nfs/dbraw/zinc/00/28/19/947002819.db2.gz MKVPTZIVILMSPI-DZKIICNBSA-N -1 1 398.471 1.287 20 30 GDEDMM C=C1CC(C)(C(=O)NCCC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573295376 947017075 /nfs/dbraw/zinc/01/70/75/947017075.db2.gz DKFARAYNMDMKKW-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=C1CC(C)(C(=O)NCCC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573295376 947017084 /nfs/dbraw/zinc/01/70/84/947017084.db2.gz DKFARAYNMDMKKW-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=C1CCC(C(=O)NCCCCCCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296001 947034964 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COc1ccc(-c2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)n[nH]2)cc1OC ZINC000829233685 604074604 /nfs/dbraw/zinc/07/46/04/604074604.db2.gz DSFFRIHGALCSSS-LBPRGKRZSA-N -1 1 385.380 1.422 20 30 GDEDMM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 ZINC000833619801 604962827 /nfs/dbraw/zinc/96/28/27/604962827.db2.gz CXUPOPNGCGACEZ-XJKSGUPXSA-N -1 1 377.408 1.332 20 30 GDEDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nn1-c1cccc(C#N)c1 ZINC000833741922 605715782 /nfs/dbraw/zinc/71/57/82/605715782.db2.gz CJIPKQXPWCUPFN-AWEZNQCLSA-N -1 1 381.436 1.673 20 30 GDEDMM N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000822830217 606134793 /nfs/dbraw/zinc/13/47/93/606134793.db2.gz XMIPGEPWRXBOFO-LBPRGKRZSA-N -1 1 380.389 1.762 20 30 GDEDMM N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000822830217 606134796 /nfs/dbraw/zinc/13/47/96/606134796.db2.gz XMIPGEPWRXBOFO-LBPRGKRZSA-N -1 1 380.389 1.762 20 30 GDEDMM C#CC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000819688628 606181328 /nfs/dbraw/zinc/18/13/28/606181328.db2.gz KRMKJAWOCRUDRA-MRXNPFEDSA-N -1 1 379.424 1.804 20 30 GDEDMM C#CC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000819688628 606181329 /nfs/dbraw/zinc/18/13/29/606181329.db2.gz KRMKJAWOCRUDRA-MRXNPFEDSA-N -1 1 379.424 1.804 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000820804684 606807324 /nfs/dbraw/zinc/80/73/24/606807324.db2.gz XLUPIAHBXBNXQN-NSHDSACASA-N -1 1 392.383 1.152 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000820804684 606807325 /nfs/dbraw/zinc/80/73/25/606807325.db2.gz XLUPIAHBXBNXQN-NSHDSACASA-N -1 1 392.383 1.152 20 30 GDEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820803595 606808857 /nfs/dbraw/zinc/80/88/57/606808857.db2.gz CZCUNZCMBBUDHS-SNVBAGLBSA-N -1 1 382.819 1.292 20 30 GDEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820803595 606808859 /nfs/dbraw/zinc/80/88/59/606808859.db2.gz CZCUNZCMBBUDHS-SNVBAGLBSA-N -1 1 382.819 1.292 20 30 GDEDMM N#Cc1ccc(Oc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)cc1 ZINC000822833323 607214316 /nfs/dbraw/zinc/21/43/16/607214316.db2.gz ODCSXHZRBOQGJE-UHFFFAOYSA-N -1 1 387.363 1.761 20 30 GDEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cccc(-c2nnn[n-]2)n1 ZINC000826383151 607896668 /nfs/dbraw/zinc/89/66/68/607896668.db2.gz NDUBSPZPDXRBJW-UHFFFAOYSA-N -1 1 386.423 1.946 20 30 GDEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cccc(-c2nn[n-]n2)n1 ZINC000826383151 607896669 /nfs/dbraw/zinc/89/66/69/607896669.db2.gz NDUBSPZPDXRBJW-UHFFFAOYSA-N -1 1 386.423 1.946 20 30 GDEDMM C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823888605 608422637 /nfs/dbraw/zinc/42/26/37/608422637.db2.gz RPJOGGUWFPLJTN-SECBINFHSA-N -1 1 391.375 1.348 20 30 GDEDMM N#CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCOCC1 ZINC000826379790 609293112 /nfs/dbraw/zinc/29/31/12/609293112.db2.gz BPFGKXNTXVZNSE-UHFFFAOYSA-N -1 1 382.359 1.450 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC#N)c(OC)c1 ZINC000534883492 650234113 /nfs/dbraw/zinc/23/41/13/650234113.db2.gz ULMYFNONKOIAMD-UHFFFAOYSA-N -1 1 375.472 1.381 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(N3CCCS3(=O)=O)c2)o1 ZINC000553859429 650661358 /nfs/dbraw/zinc/66/13/58/650661358.db2.gz YPLHDESQZUWTEW-UHFFFAOYSA-N -1 1 381.435 1.170 20 30 GDEDMM COc1ccc(NC(=O)N2CCSC[C@@H]2CCO)cc1[N-]S(C)(=O)=O ZINC000331158957 645471952 /nfs/dbraw/zinc/47/19/52/645471952.db2.gz KOIQGZXHOCNNMZ-LBPRGKRZSA-N -1 1 389.499 1.412 20 30 GDEDMM C#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000921436977 660300143 /nfs/dbraw/zinc/30/01/43/660300143.db2.gz JCZMIFHOENDLCQ-UHFFFAOYSA-N -1 1 375.809 1.763 20 30 GDEDMM C=CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000481582379 647881006 /nfs/dbraw/zinc/88/10/06/647881006.db2.gz ZERVPNBBCMXRIE-SNVBAGLBSA-N -1 1 378.790 1.271 20 30 GDEDMM N#C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000510578140 648331997 /nfs/dbraw/zinc/33/19/97/648331997.db2.gz JOYKOFZIVYGVNX-GFCCVEGCSA-N -1 1 389.209 1.661 20 30 GDEDMM N#C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000510578141 648332039 /nfs/dbraw/zinc/33/20/39/648332039.db2.gz JOYKOFZIVYGVNX-LBPRGKRZSA-N -1 1 389.209 1.661 20 30 GDEDMM CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000594640209 652341813 /nfs/dbraw/zinc/34/18/13/652341813.db2.gz OMLHGBZHSHVMQE-WCQYABFASA-N -1 1 399.485 1.095 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)[C@@H](C)C#N)c(F)c1 ZINC000595356223 652411629 /nfs/dbraw/zinc/41/16/29/652411629.db2.gz GQSGBVSSSKANSO-NSHDSACASA-N -1 1 377.463 1.900 20 30 GDEDMM Cc1nc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c(Br)n1C ZINC000805034404 655014901 /nfs/dbraw/zinc/01/49/01/655014901.db2.gz MUCLECNMRSRXQD-UHFFFAOYSA-N -1 1 390.307 1.005 20 30 GDEDMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Cl ZINC000758638552 655067247 /nfs/dbraw/zinc/06/72/47/655067247.db2.gz BRSPVCLBIKJEIZ-NXEZZACHSA-N -1 1 389.865 1.111 20 30 GDEDMM N#C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCN1C1CC1 ZINC000760867053 655128459 /nfs/dbraw/zinc/12/84/59/655128459.db2.gz MSLXOZQREKUNPF-GFCCVEGCSA-N -1 1 397.216 1.809 20 30 GDEDMM N#Cc1ccc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000811318820 655192444 /nfs/dbraw/zinc/19/24/44/655192444.db2.gz RSEGUEXBAKSFFO-UHFFFAOYSA-N -1 1 399.259 1.855 20 30 GDEDMM CS(=O)(=O)CC1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000814864905 655275494 /nfs/dbraw/zinc/27/54/94/655275494.db2.gz JKLHHNPXHYMDMS-UHFFFAOYSA-N -1 1 389.455 1.464 20 30 GDEDMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000841533016 655339745 /nfs/dbraw/zinc/33/97/45/655339745.db2.gz BHBVDBQCUKQAFR-NSHDSACASA-N -1 1 391.218 1.690 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)OC ZINC000841540894 655341758 /nfs/dbraw/zinc/34/17/58/655341758.db2.gz ONYYGEGESDTIBU-SECBINFHSA-N -1 1 391.199 1.201 20 30 GDEDMM Cc1cc(Br)ccc1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000826256491 655497219 /nfs/dbraw/zinc/49/72/19/655497219.db2.gz MADKGFZDZSAVHL-UHFFFAOYSA-N -1 1 387.201 1.714 20 30 GDEDMM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1)C(C)(C)C ZINC000848962032 655509679 /nfs/dbraw/zinc/50/96/79/655509679.db2.gz INUWNXIRIJBZLV-LBPRGKRZSA-N -1 1 391.490 1.320 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000848969534 655516112 /nfs/dbraw/zinc/51/61/12/655516112.db2.gz RCUYZFYEYSCFAD-HNNXBMFYSA-N -1 1 387.527 1.504 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848969765 655516366 /nfs/dbraw/zinc/51/63/66/655516366.db2.gz ZMJDLZPTQDAMNG-LBPRGKRZSA-N -1 1 393.918 1.540 20 30 GDEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000859430893 655783890 /nfs/dbraw/zinc/78/38/90/655783890.db2.gz WRKCSBLLIQOWAH-QMMMGPOBSA-N -1 1 395.206 1.813 20 30 GDEDMM C=CCS(=O)(=O)CCNC(=O)c1ccc(I)cc1[O-] ZINC000867333610 656040365 /nfs/dbraw/zinc/04/03/65/656040365.db2.gz BZYJGOYUTRYCBS-UHFFFAOYSA-N -1 1 395.218 1.327 20 30 GDEDMM CC1=NO[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000867348901 656042990 /nfs/dbraw/zinc/04/29/90/656042990.db2.gz JGRRTTRVOUAJIN-VIFPVBQESA-N -1 1 376.207 1.903 20 30 GDEDMM Cn1cnc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)c1Cl ZINC000867611032 656093911 /nfs/dbraw/zinc/09/39/11/656093911.db2.gz AGRHDGVLNGPAFE-UHFFFAOYSA-N -1 1 379.873 1.892 20 30 GDEDMM C=CCCCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000903691743 659375635 /nfs/dbraw/zinc/37/56/35/659375635.db2.gz GHHSUGRZMPFIFO-UHFFFAOYSA-N -1 1 375.516 1.831 20 30 GDEDMM N#Cc1cc(Br)ccc1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479263 659760589 /nfs/dbraw/zinc/76/05/89/659760589.db2.gz ANEPPWVOZCANRD-LBPRGKRZSA-N -1 1 393.270 1.693 20 30 GDEDMM C=CCOC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)OC ZINC000907927596 659845372 /nfs/dbraw/zinc/84/53/72/659845372.db2.gz HHWCZVIJEPYEBR-SNVBAGLBSA-N -1 1 393.184 1.796 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573283619 946719278 /nfs/dbraw/zinc/71/92/78/946719278.db2.gz KWYXRDZZXACTDT-LSDHHAIUSA-N -1 1 380.456 1.420 20 30 GDEDMM C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573283619 946719285 /nfs/dbraw/zinc/71/92/85/946719285.db2.gz KWYXRDZZXACTDT-LSDHHAIUSA-N -1 1 380.456 1.420 20 30 GDEDMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N)c1ccc2c(c1)CCCC2 ZINC000824479417 946730265 /nfs/dbraw/zinc/73/02/65/946730265.db2.gz NDEAVYVJEAKNHR-LBPRGKRZSA-N -1 1 376.424 1.691 20 30 GDEDMM C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573285485 946781065 /nfs/dbraw/zinc/78/10/65/946781065.db2.gz YPZZMLXQYPXELS-GOEBONIOSA-N -1 1 382.472 1.889 20 30 GDEDMM C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573285485 946781070 /nfs/dbraw/zinc/78/10/70/946781070.db2.gz YPZZMLXQYPXELS-GOEBONIOSA-N -1 1 382.472 1.889 20 30 GDEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001573286966 946824094 /nfs/dbraw/zinc/82/40/94/946824094.db2.gz DCZBWNLNUJDLNX-JTQLQIEISA-N -1 1 382.453 1.628 20 30 GDEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573287634 946844032 /nfs/dbraw/zinc/84/40/32/946844032.db2.gz OKZWGSCZOWTARA-VXGBXAGGSA-N -1 1 375.458 1.073 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCCNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573288153 946859607 /nfs/dbraw/zinc/85/96/07/946859607.db2.gz PDWCZCJJVJHBFQ-LBPRGKRZSA-N -1 1 377.412 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCCNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573288153 946859622 /nfs/dbraw/zinc/85/96/22/946859622.db2.gz PDWCZCJJVJHBFQ-LBPRGKRZSA-N -1 1 377.412 1.044 20 30 GDEDMM C#Cc1ccccc1CC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573291195 946915671 /nfs/dbraw/zinc/91/56/71/946915671.db2.gz YKIIZWCLTKTVBK-ZDUSSCGKSA-N -1 1 376.424 1.187 20 30 GDEDMM C#Cc1ccccc1CC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573291195 946915676 /nfs/dbraw/zinc/91/56/76/946915676.db2.gz YKIIZWCLTKTVBK-ZDUSSCGKSA-N -1 1 376.424 1.187 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573294386 946988659 /nfs/dbraw/zinc/98/86/59/946988659.db2.gz DOBWRBHZXKGDNR-CFAJVAMVSA-N -1 1 398.471 1.477 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573294386 946988665 /nfs/dbraw/zinc/98/86/65/946988665.db2.gz DOBWRBHZXKGDNR-CFAJVAMVSA-N -1 1 398.471 1.477 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@H](CN(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565534 947009409 /nfs/dbraw/zinc/00/94/09/947009409.db2.gz RRVXBNPTNUVMHW-DTWKUNHWSA-N -1 1 380.865 1.421 20 30 GDEDMM C=C1CCC(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)CC1 ZINC001573295384 947017684 /nfs/dbraw/zinc/01/76/84/947017684.db2.gz DMGIBEOHERLURS-UKRRQHHQSA-N -1 1 382.472 1.877 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC[C@@H]2C1 ZINC001573569618 947074537 /nfs/dbraw/zinc/07/45/37/947074537.db2.gz CONHXQVVQQKSQH-BBBLOLIVSA-N -1 1 392.876 1.421 20 30 GDEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC[C@@H]2C1 ZINC001573569618 947074551 /nfs/dbraw/zinc/07/45/51/947074551.db2.gz CONHXQVVQQKSQH-BBBLOLIVSA-N -1 1 392.876 1.421 20 30 GDEDMM C=C[C@H](C(=O)N(CC)CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573300131 947104836 /nfs/dbraw/zinc/10/48/36/947104836.db2.gz INZPHXFSLVSSMK-HNNXBMFYSA-N -1 1 378.440 1.887 20 30 GDEDMM C=C[C@H](C(=O)N(CC)CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573300131 947104842 /nfs/dbraw/zinc/10/48/42/947104842.db2.gz INZPHXFSLVSSMK-HNNXBMFYSA-N -1 1 378.440 1.887 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]2C1 ZINC001573300913 947123566 /nfs/dbraw/zinc/12/35/66/947123566.db2.gz PITHFMUOIAATBC-KGLIPLIRSA-N -1 1 396.499 1.716 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]2C1 ZINC001573300913 947123574 /nfs/dbraw/zinc/12/35/74/947123574.db2.gz PITHFMUOIAATBC-KGLIPLIRSA-N -1 1 396.499 1.716 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573300974 947126422 /nfs/dbraw/zinc/12/64/22/947126422.db2.gz QBCMKWSGLCTOGL-ORAYPTAESA-N -1 1 382.472 1.462 20 30 GDEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573300974 947126429 /nfs/dbraw/zinc/12/64/29/947126429.db2.gz QBCMKWSGLCTOGL-ORAYPTAESA-N -1 1 382.472 1.462 20 30 GDEDMM C=C(C)CCC(=O)N1CCC[C@@](CO)(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573301074 947128330 /nfs/dbraw/zinc/12/83/30/947128330.db2.gz YNWZTRAWKGKXSQ-QGZVFWFLSA-N -1 1 391.501 1.753 20 30 GDEDMM C=C[C@H](C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573301234 947132188 /nfs/dbraw/zinc/13/21/88/947132188.db2.gz UYKDHGFSZGCYDS-XHPSBEMXSA-N -1 1 376.424 1.711 20 30 GDEDMM C=C[C@H](C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573301234 947132196 /nfs/dbraw/zinc/13/21/96/947132196.db2.gz UYKDHGFSZGCYDS-XHPSBEMXSA-N -1 1 376.424 1.711 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573306074 947165037 /nfs/dbraw/zinc/16/50/37/947165037.db2.gz WXSKCGUGSNLMNC-MGPQQGTHSA-N -1 1 382.472 1.590 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573306074 947165046 /nfs/dbraw/zinc/16/50/46/947165046.db2.gz WXSKCGUGSNLMNC-MGPQQGTHSA-N -1 1 382.472 1.590 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573307715 947182263 /nfs/dbraw/zinc/18/22/63/947182263.db2.gz VHNVVAPMFVHSQJ-IBGZPJMESA-N -1 1 384.488 1.982 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573307715 947182274 /nfs/dbraw/zinc/18/22/74/947182274.db2.gz VHNVVAPMFVHSQJ-IBGZPJMESA-N -1 1 384.488 1.982 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001573582745 947195890 /nfs/dbraw/zinc/19/58/90/947195890.db2.gz GVVWFCCPTHMMEY-DJLDLDEBSA-N -1 1 380.865 1.325 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573584709 947232599 /nfs/dbraw/zinc/23/25/99/947232599.db2.gz CENLPCNMDPVFPS-BGZDPUMWSA-N -1 1 378.849 1.362 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573584709 947232608 /nfs/dbraw/zinc/23/26/08/947232608.db2.gz CENLPCNMDPVFPS-BGZDPUMWSA-N -1 1 378.849 1.362 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573315162 947245966 /nfs/dbraw/zinc/24/59/66/947245966.db2.gz JUOZBZDBRJXOFY-FVQBIDKESA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573315162 947245973 /nfs/dbraw/zinc/24/59/73/947245973.db2.gz JUOZBZDBRJXOFY-FVQBIDKESA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315790 947261818 /nfs/dbraw/zinc/26/18/18/947261818.db2.gz PQOKIQDPVMWKGR-ACJLOTCBSA-N -1 1 386.460 1.024 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315790 947261829 /nfs/dbraw/zinc/26/18/29/947261829.db2.gz PQOKIQDPVMWKGR-ACJLOTCBSA-N -1 1 386.460 1.024 20 30 GDEDMM C=C[C@H](CC(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573320633 947349164 /nfs/dbraw/zinc/34/91/64/947349164.db2.gz YXRIKUWLNREYOA-OAHLLOKOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@H](CC(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573320633 947349173 /nfs/dbraw/zinc/34/91/73/947349173.db2.gz YXRIKUWLNREYOA-OAHLLOKOSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CCC1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001573326140 947369472 /nfs/dbraw/zinc/36/94/72/947369472.db2.gz LSNOTILBYQZBHB-CQSZACIVSA-N -1 1 382.472 1.618 20 30 GDEDMM C=CCC1(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573326544 947373287 /nfs/dbraw/zinc/37/32/87/947373287.db2.gz QHJISTARRDPZQW-CYBMUJFWSA-N -1 1 386.460 1.336 20 30 GDEDMM C=CCC1(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573326544 947373299 /nfs/dbraw/zinc/37/32/99/947373299.db2.gz QHJISTARRDPZQW-CYBMUJFWSA-N -1 1 386.460 1.336 20 30 GDEDMM C=CCCC(=O)N1CCC([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573329476 947421070 /nfs/dbraw/zinc/42/10/70/947421070.db2.gz KGLWEIICJCOBFD-OAHLLOKOSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCOCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001573335714 947487755 /nfs/dbraw/zinc/48/77/55/947487755.db2.gz CNGQBMFMPXDYPH-LBPRGKRZSA-N -1 1 391.501 1.873 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573336570 947509302 /nfs/dbraw/zinc/50/93/02/947509302.db2.gz PBGTZNQLNZMMPV-HSBZDZAISA-N -1 1 386.460 1.477 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573336570 947509314 /nfs/dbraw/zinc/50/93/14/947509314.db2.gz PBGTZNQLNZMMPV-HSBZDZAISA-N -1 1 386.460 1.477 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573337629 947521886 /nfs/dbraw/zinc/52/18/86/947521886.db2.gz ZKURIGWNLNZVAA-CYBMUJFWSA-N -1 1 386.460 1.065 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573337629 947521898 /nfs/dbraw/zinc/52/18/98/947521898.db2.gz ZKURIGWNLNZVAA-CYBMUJFWSA-N -1 1 386.460 1.065 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573350670 947601413 /nfs/dbraw/zinc/60/14/13/947601413.db2.gz INHVEQDOXULGQG-LZWOXQAQSA-N -1 1 398.471 1.349 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573350670 947601423 /nfs/dbraw/zinc/60/14/23/947601423.db2.gz INHVEQDOXULGQG-LZWOXQAQSA-N -1 1 398.471 1.349 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573351330 947613216 /nfs/dbraw/zinc/61/32/16/947613216.db2.gz RAIMWQSJICHHSH-BZPMIXESSA-N -1 1 386.460 1.069 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573351330 947613222 /nfs/dbraw/zinc/61/32/22/947613222.db2.gz RAIMWQSJICHHSH-BZPMIXESSA-N -1 1 386.460 1.069 20 30 GDEDMM Cc1cc(-n2c(C)cc(C(=O)Cn3cnc(-c4nn[n-]n4)c3C#N)c2C)no1 ZINC000826256274 947738095 /nfs/dbraw/zinc/73/80/95/947738095.db2.gz BARMIEJCTUZFQT-UHFFFAOYSA-N -1 1 377.368 1.522 20 30 GDEDMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c2c1 ZINC000826268227 947774586 /nfs/dbraw/zinc/77/45/86/947774586.db2.gz PAAWOAJKERILFX-UHFFFAOYSA-N -1 1 379.315 1.415 20 30 GDEDMM N#Cc1ncn(CC(=O)N[C@H](c2nccs2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826388340 948193693 /nfs/dbraw/zinc/19/36/93/948193693.db2.gz SOGCLRWWSBXESB-AWEZNQCLSA-N -1 1 391.420 1.297 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190986 950178899 /nfs/dbraw/zinc/17/88/99/950178899.db2.gz FMQFDDZVSKDWHS-DGCLKSJQSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190986 950178916 /nfs/dbraw/zinc/17/89/16/950178916.db2.gz FMQFDDZVSKDWHS-DGCLKSJQSA-N -1 1 392.427 1.067 20 30 GDEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573851452 950292829 /nfs/dbraw/zinc/29/28/29/950292829.db2.gz YHDJCMFMDJVEBY-INIZCTEOSA-N -1 1 376.442 1.806 20 30 GDEDMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573852710 950312714 /nfs/dbraw/zinc/31/27/14/950312714.db2.gz IRMPLOYRVOJGOI-INIZCTEOSA-N -1 1 387.404 1.190 20 30 GDEDMM CC(C)(C)OC(=O)N[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1(C)C ZINC001573860643 950425216 /nfs/dbraw/zinc/42/52/16/950425216.db2.gz KLDHCBHKLCYQIU-NSHDSACASA-N -1 1 385.432 1.268 20 30 GDEDMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)C#CC1CC1 ZINC001575936828 950927444 /nfs/dbraw/zinc/92/74/44/950927444.db2.gz IORFJIAEVIAZJG-PSASIEDQSA-N -1 1 377.861 1.791 20 30 GDEDMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)C#CC1CC1 ZINC001575936828 950927459 /nfs/dbraw/zinc/92/74/59/950927459.db2.gz IORFJIAEVIAZJG-PSASIEDQSA-N -1 1 377.861 1.791 20 30 GDEDMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575165639 952311120 /nfs/dbraw/zinc/31/11/20/952311120.db2.gz QGCXRWFZAVQSCI-ZETCQYMHSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1c[nH]c(C#N)c1 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20 30 GDEDMM CCN(C[C@H](C)C#N)S(=O)(=O)[N-]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000800116021 654873046 /nfs/dbraw/zinc/87/30/46/654873046.db2.gz VMJYAXTXNNHLNQ-LLVKDONJSA-N -1 1 384.449 1.462 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)NC2CC2)cc1Br ZINC000829798435 654914718 /nfs/dbraw/zinc/91/47/18/654914718.db2.gz WNRBDTCWIQRBTA-UHFFFAOYSA-N -1 1 376.207 1.017 20 30 GDEDMM CCOc1nc2sccn2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000753925274 654961366 /nfs/dbraw/zinc/96/13/66/654961366.db2.gz YNERTRJSLNLGKM-UHFFFAOYSA-N -1 1 375.435 1.867 20 30 GDEDMM C#CCC[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000798488601 655269140 /nfs/dbraw/zinc/26/91/40/655269140.db2.gz UPMJUDVINFQJCE-JTQLQIEISA-N -1 1 377.216 1.410 20 30 GDEDMM O=C(N[C@@H]1CCCN(O)C1=O)c1c([O-])cnc2c(Br)cccc21 ZINC000848131657 655482691 /nfs/dbraw/zinc/48/26/91/655482691.db2.gz BQWRGUPZFVIEEX-SNVBAGLBSA-N -1 1 380.198 1.813 20 30 GDEDMM C#CCCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000848955471 655504366 /nfs/dbraw/zinc/50/43/66/655504366.db2.gz AZJZFMQTAQZGTC-UHFFFAOYSA-N -1 1 394.465 1.700 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000848961383 655508868 /nfs/dbraw/zinc/50/88/68/655508868.db2.gz WFVHDATZOFHKCX-CYBMUJFWSA-N -1 1 385.511 1.374 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(SC)n1 ZINC000848961447 655508937 /nfs/dbraw/zinc/50/89/37/655508937.db2.gz XOPMUECWRIXQHV-GFCCVEGCSA-N -1 1 391.540 1.219 20 30 GDEDMM C#CCCN(CCOC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000856387246 655712410 /nfs/dbraw/zinc/71/24/10/655712410.db2.gz VZQSNPLTYFQDPL-UHFFFAOYSA-N -1 1 393.292 1.770 20 30 GDEDMM C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000867704324 656104220 /nfs/dbraw/zinc/10/42/20/656104220.db2.gz HNVIJZDJKWSKSF-ZDUSSCGKSA-N -1 1 386.905 1.499 20 30 GDEDMM C[C@@H]([N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@H](O)C(F)(F)F ZINC000874067495 656440174 /nfs/dbraw/zinc/44/01/74/656440174.db2.gz KGLFVZUJYFIQQB-BUWDMPIASA-N -1 1 380.191 1.749 20 30 GDEDMM Cn1[n-]c(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc1=O ZINC000932951096 657235092 /nfs/dbraw/zinc/23/50/92/657235092.db2.gz UYRRYFXJNFLAES-PHDIDXHHSA-N -1 1 380.239 1.711 20 30 GDEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000914123986 660117806 /nfs/dbraw/zinc/11/78/06/660117806.db2.gz AVCBIQXHZLEVOH-QMMMGPOBSA-N -1 1 375.248 1.743 20 30 GDEDMM Cc1nsc(N2CC[C@@]3(C2)CCCN(C(=O)[C@H](C)C#N)C3)c1-c1nn[n-]n1 ZINC001571271837 945652475 /nfs/dbraw/zinc/65/24/75/945652475.db2.gz KUTVWNORLFJTIW-DIFFPNOSSA-N -1 1 386.485 1.610 20 30 GDEDMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cc(C#N)ccc1O ZINC000822009882 945917127 /nfs/dbraw/zinc/91/71/27/945917127.db2.gz GMFBRPBAMFPRQV-UHFFFAOYSA-N -1 1 379.380 1.733 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571312450 946491732 /nfs/dbraw/zinc/49/17/32/946491732.db2.gz DIORSNPIUFXUNN-CYBMUJFWSA-N -1 1 392.427 1.353 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571312450 946491742 /nfs/dbraw/zinc/49/17/42/946491742.db2.gz DIORSNPIUFXUNN-CYBMUJFWSA-N -1 1 392.427 1.353 20 30 GDEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571312799 946503311 /nfs/dbraw/zinc/50/33/11/946503311.db2.gz KJRZIOUBESMMNG-WCQYABFASA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571312799 946503321 /nfs/dbraw/zinc/50/33/21/946503321.db2.gz KJRZIOUBESMMNG-WCQYABFASA-N -1 1 392.427 1.209 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC001571313415 946520373 /nfs/dbraw/zinc/52/03/73/946520373.db2.gz QUEWKQVIFXXPFE-NEPJUHHUSA-N -1 1 392.427 1.270 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC001571313415 946520388 /nfs/dbraw/zinc/52/03/88/946520388.db2.gz QUEWKQVIFXXPFE-NEPJUHHUSA-N -1 1 392.427 1.270 20 30 GDEDMM C=CCn1c(C)cc(C(=O)Cn2ncc(C(=O)OCC)c2-c2nn[n-]n2)c1C ZINC000823937126 946521704 /nfs/dbraw/zinc/52/17/04/946521704.db2.gz JCDTXODVHJOUAD-UHFFFAOYSA-N -1 1 383.412 1.727 20 30 GDEDMM C#CCCCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573282893 946702344 /nfs/dbraw/zinc/70/23/44/946702344.db2.gz CIKADBNGUQTXHP-IFXJQAMLSA-N -1 1 380.456 1.468 20 30 GDEDMM C#CCCCCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573282890 946703009 /nfs/dbraw/zinc/70/30/09/946703009.db2.gz CIKADBNGUQTXHP-AUUYWEPGSA-N -1 1 380.456 1.468 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573283490 946716536 /nfs/dbraw/zinc/71/65/36/946716536.db2.gz JCFJHJBFFNSXSF-IBGZPJMESA-N -1 1 380.456 1.279 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573283490 946716542 /nfs/dbraw/zinc/71/65/42/946716542.db2.gz JCFJHJBFFNSXSF-IBGZPJMESA-N -1 1 380.456 1.279 20 30 GDEDMM C#CCCCC(=O)N1C[C@@]2(C)CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573285109 946767313 /nfs/dbraw/zinc/76/73/13/946767313.db2.gz RYSWEJFVFGBTAQ-KDURUIRLSA-N -1 1 380.456 1.135 20 30 GDEDMM C#CCCCC(=O)N1C[C@@]2(C)CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573285109 946767322 /nfs/dbraw/zinc/76/73/22/946767322.db2.gz RYSWEJFVFGBTAQ-KDURUIRLSA-N -1 1 380.456 1.135 20 30 GDEDMM C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573285646 946786091 /nfs/dbraw/zinc/78/60/91/946786091.db2.gz ZZAVPBXOILFWEE-ZIAGYGMSSA-N -1 1 382.472 1.672 20 30 GDEDMM C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573285646 946786096 /nfs/dbraw/zinc/78/60/96/946786096.db2.gz ZZAVPBXOILFWEE-ZIAGYGMSSA-N -1 1 382.472 1.672 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573288614 946872709 /nfs/dbraw/zinc/87/27/09/946872709.db2.gz SEXWYBJVVQNIPR-OLZOCXBDSA-N -1 1 376.424 1.647 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573288614 946872722 /nfs/dbraw/zinc/87/27/22/946872722.db2.gz SEXWYBJVVQNIPR-OLZOCXBDSA-N -1 1 376.424 1.647 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@@](C)(CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565216 947003802 /nfs/dbraw/zinc/00/38/02/947003802.db2.gz OYPNTTXXGZREEU-CLAHSXSESA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565671 947013882 /nfs/dbraw/zinc/01/38/82/947013882.db2.gz UAYJVUIURGQOIG-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565671 947013890 /nfs/dbraw/zinc/01/38/90/947013890.db2.gz UAYJVUIURGQOIG-WFASDCNBSA-N -1 1 381.444 1.024 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573295398 947016583 /nfs/dbraw/zinc/01/65/83/947016583.db2.gz PZFNDJLGCNUATN-IYJAJMOOSA-N -1 1 398.471 1.288 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573295398 947016594 /nfs/dbraw/zinc/01/65/94/947016594.db2.gz PZFNDJLGCNUATN-IYJAJMOOSA-N -1 1 398.471 1.288 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573295737 947024964 /nfs/dbraw/zinc/02/49/64/947024964.db2.gz TWYLRALTIWGVMS-ZQIUZPCESA-N -1 1 398.471 1.113 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573295737 947024976 /nfs/dbraw/zinc/02/49/76/947024976.db2.gz TWYLRALTIWGVMS-ZQIUZPCESA-N -1 1 398.471 1.113 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)C1 ZINC001573299314 947092366 /nfs/dbraw/zinc/09/23/66/947092366.db2.gz SGBQRWXQYBUHLD-AWEZNQCLSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001573299314 947092379 /nfs/dbraw/zinc/09/23/79/947092379.db2.gz SGBQRWXQYBUHLD-AWEZNQCLSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300077 947105340 /nfs/dbraw/zinc/10/53/40/947105340.db2.gz IJFVGPRTXDNZAT-GJZGRUSLSA-N -1 1 376.424 1.321 20 30 GDEDMM C=C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300077 947105344 /nfs/dbraw/zinc/10/53/44/947105344.db2.gz IJFVGPRTXDNZAT-GJZGRUSLSA-N -1 1 376.424 1.321 20 30 GDEDMM C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573300202 947107314 /nfs/dbraw/zinc/10/73/14/947107314.db2.gz VVFWZCCILHEGFR-AWEZNQCLSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C1CC(C)(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573300202 947107327 /nfs/dbraw/zinc/10/73/27/947107327.db2.gz VVFWZCCILHEGFR-AWEZNQCLSA-N -1 1 382.472 1.688 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC001573573462 947122423 /nfs/dbraw/zinc/12/24/23/947122423.db2.gz NMEWDDZCYXQQAO-CEFVDNRUSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC001573573462 947122428 /nfs/dbraw/zinc/12/24/28/947122428.db2.gz NMEWDDZCYXQQAO-CEFVDNRUSA-N -1 1 392.876 1.754 20 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C[C@@H](C#N)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CCCCCC1 ZINC001573583102 947199821 /nfs/dbraw/zinc/19/98/21/947199821.db2.gz JLGUZRXETOODCP-ZDUSSCGKSA-N -1 1 383.460 1.462 20 30 GDEDMM C[C@@H](C#N)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CCCCCC1 ZINC001573583102 947199827 /nfs/dbraw/zinc/19/98/27/947199827.db2.gz JLGUZRXETOODCP-ZDUSSCGKSA-N -1 1 383.460 1.462 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309623 947204863 /nfs/dbraw/zinc/20/48/63/947204863.db2.gz LRJNVCWGZPZRMO-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309623 947204871 /nfs/dbraw/zinc/20/48/71/947204871.db2.gz LRJNVCWGZPZRMO-ACJLOTCBSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCC(C)(C)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573318969 947318988 /nfs/dbraw/zinc/31/89/88/947318988.db2.gz IEBLYWMUVUAAAN-UHFFFAOYSA-N -1 1 384.488 1.982 20 30 GDEDMM C=CCC(C)(C)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573318969 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/nfs/dbraw/zinc/01/87/19/947018719.db2.gz YAOASLZALWREBC-LBPRGKRZSA-N -1 1 383.460 1.493 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573295965 947036017 /nfs/dbraw/zinc/03/60/17/947036017.db2.gz XDVALRWEYJOQHJ-JKOKRWQUSA-N -1 1 391.501 1.920 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@](C)(CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573570623 947092179 /nfs/dbraw/zinc/09/21/79/947092179.db2.gz RKLOKUDCECINAQ-JKYUHCHBSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@](C)(CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573570623 947092187 /nfs/dbraw/zinc/09/21/87/947092187.db2.gz RKLOKUDCECINAQ-JKYUHCHBSA-N -1 1 380.865 1.833 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300186 947107028 /nfs/dbraw/zinc/10/70/28/947107028.db2.gz JAIFHHOTNXHWSU-HOTGVXAUSA-N -1 1 390.451 1.664 20 30 GDEDMM C=C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300186 947107034 /nfs/dbraw/zinc/10/70/34/947107034.db2.gz JAIFHHOTNXHWSU-HOTGVXAUSA-N -1 1 390.451 1.664 20 30 GDEDMM C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573300349 947108446 /nfs/dbraw/zinc/10/84/46/947108446.db2.gz OTFXEYFXOZLWHJ-ZYHUDNBSSA-N -1 1 396.377 1.814 20 30 GDEDMM C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573300349 947108455 /nfs/dbraw/zinc/10/84/55/947108455.db2.gz OTFXEYFXOZLWHJ-ZYHUDNBSSA-N -1 1 396.377 1.814 20 30 GDEDMM C[C@H](C#N)C(=O)NC1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573574451 947130847 /nfs/dbraw/zinc/13/08/47/947130847.db2.gz RZNCJAVNDSBDFQ-AFPNSQJFSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@H](C#N)C(=O)NC1CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573574451 947130850 /nfs/dbraw/zinc/13/08/50/947130850.db2.gz RZNCJAVNDSBDFQ-AFPNSQJFSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573575325 947136360 /nfs/dbraw/zinc/13/63/60/947136360.db2.gz WZKJZQBHHHUQCG-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573575325 947136369 /nfs/dbraw/zinc/13/63/69/947136369.db2.gz WZKJZQBHHHUQCG-IUCAKERBSA-N -1 1 380.865 1.611 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573305319 947154619 /nfs/dbraw/zinc/15/46/19/947154619.db2.gz PJMMZBLAZOVAKD-BTTYYORXSA-N -1 1 382.472 1.733 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573305319 947154624 /nfs/dbraw/zinc/15/46/24/947154624.db2.gz PJMMZBLAZOVAKD-BTTYYORXSA-N -1 1 382.472 1.733 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573307493 947181103 /nfs/dbraw/zinc/18/11/03/947181103.db2.gz SORJCERAVZIQIM-ZWKOTPCHSA-N -1 1 386.460 1.024 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573307493 947181107 /nfs/dbraw/zinc/18/11/07/947181107.db2.gz SORJCERAVZIQIM-ZWKOTPCHSA-N -1 1 386.460 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573581934 947184915 /nfs/dbraw/zinc/18/49/15/947184915.db2.gz APIJAHWVLBKMBV-HIFRSBDPSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573581934 947184918 /nfs/dbraw/zinc/18/49/18/947184918.db2.gz APIJAHWVLBKMBV-HIFRSBDPSA-N -1 1 391.439 1.346 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573310034 947215742 /nfs/dbraw/zinc/21/57/42/947215742.db2.gz RMCCAYMVFJEVNH-SCLBCKFNSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573310034 947215750 /nfs/dbraw/zinc/21/57/50/947215750.db2.gz RMCCAYMVFJEVNH-SCLBCKFNSA-N -1 1 388.476 1.235 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573585129 947246983 /nfs/dbraw/zinc/24/69/83/947246983.db2.gz LBMNGSNZFBEWFO-VXGBXAGGSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573585129 947246991 /nfs/dbraw/zinc/24/69/91/947246991.db2.gz LBMNGSNZFBEWFO-VXGBXAGGSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585532 947261096 /nfs/dbraw/zinc/26/10/96/947261096.db2.gz RRJXMUNXJKPUCV-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(CNC(=O)[C@@H](C)C#N)cc1 ZINC001573585532 947261109 /nfs/dbraw/zinc/26/11/09/947261109.db2.gz RRJXMUNXJKPUCV-NWDGAFQWSA-N -1 1 377.412 1.606 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573316083 947265294 /nfs/dbraw/zinc/26/52/94/947265294.db2.gz GITSEIXWHCXCBD-HOCLYGCPSA-N -1 1 390.451 1.712 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573316083 947265305 /nfs/dbraw/zinc/26/53/05/947265305.db2.gz GITSEIXWHCXCBD-HOCLYGCPSA-N -1 1 390.451 1.712 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573316281 947270159 /nfs/dbraw/zinc/27/01/59/947270159.db2.gz UXPPXUQCDHSVAO-ZDUSSCGKSA-N -1 1 386.460 1.336 20 30 GDEDMM C=C[C@@H](CC)CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573316281 947270171 /nfs/dbraw/zinc/27/01/71/947270171.db2.gz UXPPXUQCDHSVAO-ZDUSSCGKSA-N -1 1 386.460 1.336 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001573585815 947271746 /nfs/dbraw/zinc/27/17/46/947271746.db2.gz XDYXKCQRXHDIFF-JTQLQIEISA-N -1 1 381.375 1.184 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001573585815 947271752 /nfs/dbraw/zinc/27/17/52/947271752.db2.gz XDYXKCQRXHDIFF-JTQLQIEISA-N -1 1 381.375 1.184 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573330597 947435845 /nfs/dbraw/zinc/43/58/45/947435845.db2.gz ZKEIENFFAISCRY-HOCLYGCPSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573330597 947435853 /nfs/dbraw/zinc/43/58/53/947435853.db2.gz ZKEIENFFAISCRY-HOCLYGCPSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573335643 947484586 /nfs/dbraw/zinc/48/45/86/947484586.db2.gz CDZQXHZXEQBNKL-LBPRGKRZSA-N -1 1 377.474 1.261 20 30 GDEDMM C=CCOCC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001573343121 947551545 /nfs/dbraw/zinc/55/15/45/947551545.db2.gz JQFFAMIXLPDREA-NWDGAFQWSA-N -1 1 377.474 1.531 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1snc(C)c1-c1nn[n-]n1 ZINC001573350353 947594548 /nfs/dbraw/zinc/59/45/48/947594548.db2.gz ANIRMXOJGGSZQQ-RTXFEEFZSA-N -1 1 391.501 1.554 20 30 GDEDMM Cc1cc(-n2c(C)cc(C(=O)Cn3cnc(C#N)c3-c3nn[n-]n3)c2C)no1 ZINC000826256519 947738988 /nfs/dbraw/zinc/73/89/88/947738988.db2.gz NPAMROMSGWBLER-UHFFFAOYSA-N -1 1 377.368 1.522 20 30 GDEDMM Cc1cc(C)n(N=Cc2cnccc2NC(=O)C(C)(C)C)c(=O)c1-c1nn[n-]n1 ZINC000826265820 947767768 /nfs/dbraw/zinc/76/77/68/947767768.db2.gz OLQCWGUWTGQHDY-UHFFFAOYSA-N -1 1 394.439 1.329 20 30 GDEDMM N#Cc1ncn(CC(=O)N[C@@H](c2nccs2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826388341 948193337 /nfs/dbraw/zinc/19/33/37/948193337.db2.gz SOGCLRWWSBXESB-CQSZACIVSA-N -1 1 391.420 1.297 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190935 950176399 /nfs/dbraw/zinc/17/63/99/950176399.db2.gz DSWNKCWFQOIJTN-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190935 950176403 /nfs/dbraw/zinc/17/64/03/950176403.db2.gz DSWNKCWFQOIJTN-AAEUAGOBSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574983289 950208217 /nfs/dbraw/zinc/20/82/17/950208217.db2.gz MFHJBUFKJHVXBI-SSDOTTSWSA-N -1 1 391.848 1.431 20 30 GDEDMM CC(C)(C)OC(=O)C1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCOCC1 ZINC001573851363 950292677 /nfs/dbraw/zinc/29/26/77/950292677.db2.gz WCUVGSWZDAWLQN-UHFFFAOYSA-N -1 1 386.416 1.079 20 30 GDEDMM CC(C)(C)OC(=O)C1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCOCC1 ZINC001573851363 950292694 /nfs/dbraw/zinc/29/26/94/950292694.db2.gz WCUVGSWZDAWLQN-UHFFFAOYSA-N -1 1 386.416 1.079 20 30 GDEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574997054 950538917 /nfs/dbraw/zinc/53/89/17/950538917.db2.gz QIZGINBKMCXFEJ-ZETCQYMHSA-N -1 1 391.848 1.654 20 30 GDEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574997054 950538935 /nfs/dbraw/zinc/53/89/35/950538935.db2.gz QIZGINBKMCXFEJ-ZETCQYMHSA-N -1 1 391.848 1.654 20 30 GDEDMM CC1(C)[C@H](NC(=O)C#CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575623181 950648886 /nfs/dbraw/zinc/64/88/86/950648886.db2.gz IYVZYOUDKINCMU-KBRIMQKVSA-N -1 1 392.467 1.180 20 30 GDEDMM C[C@H](C(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2)n1cnc(-c2nn[n-]n2)n1 ZINC001576215312 950695272 /nfs/dbraw/zinc/69/52/72/950695272.db2.gz FGAKAWOKNYSJMJ-VHSXEESVSA-N -1 1 378.400 1.049 20 30 GDEDMM CC1(C)C[C@H](NC(=O)C#CC2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639261 950863697 /nfs/dbraw/zinc/86/36/97/950863697.db2.gz QDBUXMOETZNCTA-CQSZACIVSA-N -1 1 380.456 1.181 20 30 GDEDMM CC1(C)C[C@H](NC(=O)C#CC2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639261 950863709 /nfs/dbraw/zinc/86/37/09/950863709.db2.gz QDBUXMOETZNCTA-CQSZACIVSA-N -1 1 380.456 1.181 20 30 GDEDMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575166294 952323467 /nfs/dbraw/zinc/32/34/67/952323467.db2.gz UUZDPFNHHWFWDC-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575166294 952323477 /nfs/dbraw/zinc/32/34/77/952323477.db2.gz UUZDPFNHHWFWDC-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM N#Cc1ncc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc1-c1nn[n-]n1 ZINC001571119494 952492510 /nfs/dbraw/zinc/49/25/10/952492510.db2.gz BOYPOBOHTICCPK-MRXNPFEDSA-N -1 1 376.380 1.863 20 30 GDEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3coc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC001571124725 952544386 /nfs/dbraw/zinc/54/43/86/952544386.db2.gz SFHWQTOGZRUFNS-CQSZACIVSA-N -1 1 377.364 1.257 20 30 GDEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3coc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC001571124725 952544395 /nfs/dbraw/zinc/54/43/95/952544395.db2.gz SFHWQTOGZRUFNS-CQSZACIVSA-N -1 1 377.364 1.257 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571135923 952610284 /nfs/dbraw/zinc/61/02/84/952610284.db2.gz IBLVRFPWYMTHTH-MNOVXSKESA-N -1 1 378.400 1.010 20 30 GDEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571135923 952610289 /nfs/dbraw/zinc/61/02/89/952610289.db2.gz IBLVRFPWYMTHTH-MNOVXSKESA-N -1 1 378.400 1.010 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571172605 952808293 /nfs/dbraw/zinc/80/82/93/952808293.db2.gz YAEOOJHMKHAHMW-IUCAKERBSA-N -1 1 380.865 1.929 20 30 GDEDMM N#Cc1ccsc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001574494180 961725369 /nfs/dbraw/zinc/72/53/69/961725369.db2.gz XWYOSBMBKAJDCA-DTWKUNHWSA-N -1 1 375.328 1.356 20 30 GDEDMM Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001605101786 972754404 /nfs/dbraw/zinc/75/44/04/972754404.db2.gz DDJMNNFBODVPQC-OLZOCXBDSA-N -1 1 383.326 1.603 20 30 GDEDMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763371703 978722498 /nfs/dbraw/zinc/72/24/98/978722498.db2.gz IYBHBCFBMIGUJD-NSHDSACASA-N -1 1 397.844 1.744 20 30 GDEDMM C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588910077 984547351 /nfs/dbraw/zinc/54/73/51/984547351.db2.gz JRTWSXYMUNUUIS-YGTYGHESSA-N -1 1 375.473 1.547 20 30 GDEDMM C=CCn1nc(C)c(-c2cc(C(=O)N(CC(=O)[O-])C3CCOCC3)n[nH]2)c1C ZINC001588912915 984553395 /nfs/dbraw/zinc/55/33/95/984553395.db2.gz SEOSJNJJWAEDBZ-UHFFFAOYSA-N -1 1 387.440 1.782 20 30 GDEDMM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001590125189 989358996 /nfs/dbraw/zinc/35/89/96/989358996.db2.gz UKYXZWVRVYOWRQ-AWEZNQCLSA-N -1 1 382.461 1.192 20 30 GDEDMM CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001598229081 990925451 /nfs/dbraw/zinc/92/54/51/990925451.db2.gz VDEFBRRRLDTHJW-UHFFFAOYSA-N -1 1 388.449 1.404 20 30 GDEDMM COC(=O)[C@@H]1CN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C(=O)[O-] ZINC001598816243 996273811 /nfs/dbraw/zinc/27/38/11/996273811.db2.gz BMYBBDBNXGQGMK-HCHPWLPISA-N -1 1 379.457 1.111 20 30 GDEDMM COc1cc(NC(=O)N[C@H]2CNC[C@H]2C#N)c(C(=O)[O-])cc1Br ZINC001599438144 997885703 /nfs/dbraw/zinc/88/57/03/997885703.db2.gz KXGPUWSVGDLJGX-HQJQHLMTSA-N -1 1 383.202 1.389 20 30 GDEDMM C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000349589460 531364580 /nfs/dbraw/zinc/36/45/80/531364580.db2.gz HWNKEDMYMWKNPW-LLVKDONJSA-N -1 1 381.907 1.669 20 30 GDEDMM COC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000295141121 531528057 /nfs/dbraw/zinc/52/80/57/531528057.db2.gz MJNQLIZHKODSDS-VIFPVBQESA-N -1 1 381.223 1.400 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CC#N)CC2)c(F)c1 ZINC000451488034 531626608 /nfs/dbraw/zinc/62/66/08/531626608.db2.gz AMNXJJUSQXPFQI-UHFFFAOYSA-N -1 1 389.474 1.950 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)C2CC2)cc1Br ZINC000451571098 531640861 /nfs/dbraw/zinc/64/08/61/531640861.db2.gz UOBKGGKLCUOVOA-SNVBAGLBSA-N -1 1 377.235 1.757 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](O)C2)cc1Br ZINC000296130963 531659217 /nfs/dbraw/zinc/65/92/17/531659217.db2.gz JCTQKYNJROZETM-SCZZXKLOSA-N -1 1 377.235 1.899 20 30 GDEDMM C=CCS(=O)(=O)CCNC(=O)c1cc(I)ccc1[O-] ZINC000273354219 532145271 /nfs/dbraw/zinc/14/52/71/532145271.db2.gz CPRCQKQUSDPQEK-UHFFFAOYSA-N -1 1 395.218 1.327 20 30 GDEDMM CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289050317 532314315 /nfs/dbraw/zinc/31/43/15/532314315.db2.gz FOPLFFZOMFJVOY-UHFFFAOYSA-N -1 1 378.223 1.263 20 30 GDEDMM COC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289103898 532315738 /nfs/dbraw/zinc/31/57/38/532315738.db2.gz JFHMQUOIZHLSFI-UHFFFAOYSA-N -1 1 379.207 1.690 20 30 GDEDMM N#C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000289831918 532332787 /nfs/dbraw/zinc/33/27/87/532332787.db2.gz ASJZDFXCMHEYIN-VIFPVBQESA-N -1 1 378.237 1.023 20 30 GDEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(S(=O)(=O)C(F)F)cc2)o1 ZINC000735451076 599219726 /nfs/dbraw/zinc/21/97/26/599219726.db2.gz OGMFLHRKXUGPJQ-UHFFFAOYSA-N -1 1 397.367 1.996 20 30 GDEDMM C#CCN(CCC(=O)NCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000736076765 600613562 /nfs/dbraw/zinc/61/35/62/600613562.db2.gz LCCAKZYKWOBWFT-CQSZACIVSA-N -1 1 395.253 1.799 20 30 GDEDMM CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000830608969 600727928 /nfs/dbraw/zinc/72/79/28/600727928.db2.gz NPPJMXWHPMWULA-UHFFFAOYSA-N -1 1 376.438 1.337 20 30 GDEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833005228 601098388 /nfs/dbraw/zinc/09/83/88/601098388.db2.gz SGTWSELPIQRKFK-CYBMUJFWSA-N -1 1 398.467 1.158 20 30 GDEDMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827696127 601351871 /nfs/dbraw/zinc/35/18/71/601351871.db2.gz XTPGNRCIHDETSU-GTNSWQLSSA-N -1 1 392.371 1.922 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC#Cc1ccc(F)cc1 ZINC000825000444 607640316 /nfs/dbraw/zinc/64/03/16/607640316.db2.gz QPQTWDHLEUFGCC-CQSZACIVSA-N -1 1 378.415 1.358 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC#Cc1ccc(F)cc1 ZINC000825000444 607640318 /nfs/dbraw/zinc/64/03/18/607640318.db2.gz QPQTWDHLEUFGCC-CQSZACIVSA-N -1 1 378.415 1.358 20 30 GDEDMM N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826380432 607661425 /nfs/dbraw/zinc/66/14/25/607661425.db2.gz AAAKRFZLRXJNBF-KCJUWKMLSA-N -1 1 386.359 1.856 20 30 GDEDMM N#Cc1cccc(C2(NS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386661 607691291 /nfs/dbraw/zinc/69/12/91/607691291.db2.gz NRRWFRDGQVMZSJ-UHFFFAOYSA-N -1 1 384.396 1.845 20 30 GDEDMM Cc1ccncc1C(=O)OCCc1c(C(=O)[O-])[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000832984684 604883701 /nfs/dbraw/zinc/88/37/01/604883701.db2.gz CPELKDNLNWHOSE-UHFFFAOYSA-N -1 1 392.371 1.838 20 30 GDEDMM CC(C)(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000833422496 605216904 /nfs/dbraw/zinc/21/69/04/605216904.db2.gz DUEAKRAJQPVRRQ-FUHWJXTLSA-N -1 1 390.459 1.623 20 30 GDEDMM C=CCOc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000819759018 606153843 /nfs/dbraw/zinc/15/38/43/606153843.db2.gz LDBGHRHJRURWIJ-VURMDHGXSA-N -1 1 381.396 1.826 20 30 GDEDMM C=CCOc1ccc(C=CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000819759018 606153844 /nfs/dbraw/zinc/15/38/44/606153844.db2.gz LDBGHRHJRURWIJ-VURMDHGXSA-N -1 1 381.396 1.826 20 30 GDEDMM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822845684 606525276 /nfs/dbraw/zinc/52/52/76/606525276.db2.gz CYXIPDOGDWHDET-UHFFFAOYSA-N -1 1 396.436 1.628 20 30 GDEDMM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822845684 606525278 /nfs/dbraw/zinc/52/52/78/606525278.db2.gz CYXIPDOGDWHDET-UHFFFAOYSA-N -1 1 396.436 1.628 20 30 GDEDMM N#Cc1ncn(CC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000822846098 607219153 /nfs/dbraw/zinc/21/91/53/607219153.db2.gz OMLLUENITKZORQ-UHFFFAOYSA-N -1 1 391.420 1.375 20 30 GDEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000822814549 607237657 /nfs/dbraw/zinc/23/76/57/607237657.db2.gz IYZWFWOHQXXHRW-UHFFFAOYSA-N -1 1 393.392 1.418 20 30 GDEDMM Cc1ccnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1C#N ZINC000826311046 609533197 /nfs/dbraw/zinc/53/31/97/609533197.db2.gz RJSGCISNCLWDLU-UHFFFAOYSA-N -1 1 377.412 1.634 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CC#N)c(OC)c1 ZINC000535583139 650250275 /nfs/dbraw/zinc/25/02/75/650250275.db2.gz UDGJTXWNAOZGNQ-LLVKDONJSA-N -1 1 375.472 1.427 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)cc1Br ZINC000331352975 645505510 /nfs/dbraw/zinc/50/55/10/645505510.db2.gz ZTAVUPSCHWFLHM-SECBINFHSA-N -1 1 379.207 1.154 20 30 GDEDMM C#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000921437988 660300532 /nfs/dbraw/zinc/30/05/32/660300532.db2.gz NCZAPJGHSMGASH-UHFFFAOYSA-N -1 1 375.809 1.763 20 30 GDEDMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000594485413 652306531 /nfs/dbraw/zinc/30/65/31/652306531.db2.gz SABMQMVQWJINFT-GFCCVEGCSA-N -1 1 381.223 1.136 20 30 GDEDMM COC(=O)[C@H]([N-]S(=O)(=O)CCCC#N)c1ccccc1Br ZINC000594844972 652378095 /nfs/dbraw/zinc/37/80/95/652378095.db2.gz WQCITHFTFBNILR-GFCCVEGCSA-N -1 1 375.244 1.886 20 30 GDEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000603552380 652724379 /nfs/dbraw/zinc/72/43/79/652724379.db2.gz UZBWWBNPIRALMR-UHFFFAOYSA-N -1 1 379.463 1.936 20 30 GDEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000773060372 654579574 /nfs/dbraw/zinc/57/95/74/654579574.db2.gz ZXHDPDFXTCXHRF-ZYHUDNBSSA-N -1 1 389.227 1.816 20 30 GDEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000773060366 654579616 /nfs/dbraw/zinc/57/96/16/654579616.db2.gz ZXHDPDFXTCXHRF-CMPLNLGQSA-N -1 1 389.227 1.816 20 30 GDEDMM CS(=O)(=O)c1cccc(Cl)c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000773200857 654586304 /nfs/dbraw/zinc/58/63/04/654586304.db2.gz LPGZXLDZWXFLMB-UHFFFAOYSA-N -1 1 397.865 1.816 20 30 GDEDMM COc1nc2sccn2c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748253657 654801967 /nfs/dbraw/zinc/80/19/67/654801967.db2.gz QENTXQDTZAMVNF-UHFFFAOYSA-N -1 1 381.395 1.625 20 30 GDEDMM O=C1Nc2ccc(Cl)cc2C1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255516 654801998 /nfs/dbraw/zinc/80/19/98/654801998.db2.gz XLEXVVGFPKCCRM-UHFFFAOYSA-N -1 1 380.769 1.883 20 30 GDEDMM C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000831976066 655003807 /nfs/dbraw/zinc/00/38/07/655003807.db2.gz KIJPTFWOGMBHLH-WDEREUQCSA-N -1 1 384.449 1.603 20 30 GDEDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000797431371 655242097 /nfs/dbraw/zinc/24/20/97/655242097.db2.gz NHGAOBYNVXCAQK-UHFFFAOYSA-N -1 1 380.451 1.430 20 30 GDEDMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CC2(C#N)CC2)c1 ZINC000797463697 655244186 /nfs/dbraw/zinc/24/41/86/655244186.db2.gz MNYXBESWBDYILC-UHFFFAOYSA-N -1 1 391.218 1.957 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000848960694 655508055 /nfs/dbraw/zinc/50/80/55/655508055.db2.gz HINREZYSZRJMHN-GFCCVEGCSA-N -1 1 393.918 1.459 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000848960926 655508423 /nfs/dbraw/zinc/50/84/23/655508423.db2.gz LNMIJXZXMDVUNB-CYBMUJFWSA-N -1 1 385.511 1.374 20 30 GDEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000848961788 655509374 /nfs/dbraw/zinc/50/93/74/655509374.db2.gz NXDIURLSKYOFHW-UHFFFAOYSA-N -1 1 399.416 1.127 20 30 GDEDMM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1)C(C)C ZINC000848963003 655510777 /nfs/dbraw/zinc/51/07/77/655510777.db2.gz GLKDVHOZMKVLAO-CYBMUJFWSA-N -1 1 393.918 1.444 20 30 GDEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C1CCOCC1 ZINC000851828544 655597548 /nfs/dbraw/zinc/59/75/48/655597548.db2.gz YSRNCDKFCQXZIW-CQSZACIVSA-N -1 1 389.832 1.972 20 30 GDEDMM C=C(C)C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000882888210 657257366 /nfs/dbraw/zinc/25/73/66/657257366.db2.gz SJAMNHBBSOCDMV-JTQLQIEISA-N -1 1 381.281 1.715 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CC23CC(O)C3)cc1Br ZINC000907784586 659829775 /nfs/dbraw/zinc/82/97/75/659829775.db2.gz DMVZRJZGLGDSGO-CXJYDNQRSA-N -1 1 375.219 1.652 20 30 GDEDMM CC(C)(C)OC(=O)NCC1(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001571258861 945366926 /nfs/dbraw/zinc/36/69/26/945366926.db2.gz DFYOQLGGTNOJML-UHFFFAOYSA-N -1 1 385.432 1.635 20 30 GDEDMM CC(C)(C)OC(=O)NCC1(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001571258861 945366931 /nfs/dbraw/zinc/36/69/31/945366931.db2.gz DFYOQLGGTNOJML-UHFFFAOYSA-N -1 1 385.432 1.635 20 30 GDEDMM CC(C)(C)OC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001571259648 945395055 /nfs/dbraw/zinc/39/50/55/945395055.db2.gz PMCVXNDOUDSFQB-LLVKDONJSA-N -1 1 385.432 1.269 20 30 GDEDMM CC(C)(C)OC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001571259648 945395069 /nfs/dbraw/zinc/39/50/69/945395069.db2.gz PMCVXNDOUDSFQB-LLVKDONJSA-N -1 1 385.432 1.269 20 30 GDEDMM CCOc1cc2c(cc1OCC)CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001571310092 946461911 /nfs/dbraw/zinc/46/19/11/946461911.db2.gz UXYHKKXKMWZUAF-UHFFFAOYSA-N -1 1 392.423 1.888 20 30 GDEDMM CCOc1cc2c(cc1OCC)CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001571310092 946461917 /nfs/dbraw/zinc/46/19/17/946461917.db2.gz UXYHKKXKMWZUAF-UHFFFAOYSA-N -1 1 392.423 1.888 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571312585 946496237 /nfs/dbraw/zinc/49/62/37/946496237.db2.gz IAGVIFVHSKNGEQ-NHYWBVRUSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571312585 946496246 /nfs/dbraw/zinc/49/62/46/946496246.db2.gz IAGVIFVHSKNGEQ-NHYWBVRUSA-N -1 1 392.427 1.209 20 30 GDEDMM C#CCCCCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573282296 946689051 /nfs/dbraw/zinc/68/90/51/946689051.db2.gz IFTCWLMFZZNDPR-AWEZNQCLSA-N -1 1 388.497 1.439 20 30 GDEDMM C#CCCCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573285311 946776168 /nfs/dbraw/zinc/77/61/68/946776168.db2.gz VVIZEGNIFPFSHR-MRXNPFEDSA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573285311 946776174 /nfs/dbraw/zinc/77/61/74/946776174.db2.gz VVIZEGNIFPFSHR-MRXNPFEDSA-N -1 1 382.472 1.856 20 30 GDEDMM C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573285487 946780741 /nfs/dbraw/zinc/78/07/41/946780741.db2.gz YPZZMLXQYPXELS-ZBFHGGJFSA-N -1 1 382.472 1.889 20 30 GDEDMM C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573285487 946780745 /nfs/dbraw/zinc/78/07/45/946780745.db2.gz YPZZMLXQYPXELS-ZBFHGGJFSA-N -1 1 382.472 1.889 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573287851 946849541 /nfs/dbraw/zinc/84/95/41/946849541.db2.gz LOQPPAGCJMHLSV-UHFFFAOYSA-N -1 1 388.435 1.427 20 30 GDEDMM C#Cc1ccc(C(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573287851 946849556 /nfs/dbraw/zinc/84/95/56/946849556.db2.gz LOQPPAGCJMHLSV-UHFFFAOYSA-N -1 1 388.435 1.427 20 30 GDEDMM C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573288170 946858489 /nfs/dbraw/zinc/85/84/89/946858489.db2.gz SEHMNZPZMKXXRC-WDEREUQCSA-N -1 1 377.474 1.367 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573289450 946884501 /nfs/dbraw/zinc/88/45/01/946884501.db2.gz ZDTGPOLCPRCDRC-BBRMVZONSA-N -1 1 388.435 1.425 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573289450 946884510 /nfs/dbraw/zinc/88/45/10/946884510.db2.gz ZDTGPOLCPRCDRC-BBRMVZONSA-N -1 1 388.435 1.425 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573290434 946906146 /nfs/dbraw/zinc/90/61/46/946906146.db2.gz JTSVOMUBFSGRBR-BBRMVZONSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573290434 946906151 /nfs/dbraw/zinc/90/61/51/946906151.db2.gz JTSVOMUBFSGRBR-BBRMVZONSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)cc1 ZINC001573290565 946907100 /nfs/dbraw/zinc/90/71/00/946907100.db2.gz ZLRDCOYNEPTTHC-MRXNPFEDSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)cc1 ZINC001573290565 946907107 /nfs/dbraw/zinc/90/71/07/946907107.db2.gz ZLRDCOYNEPTTHC-MRXNPFEDSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573290618 946908097 /nfs/dbraw/zinc/90/80/97/946908097.db2.gz NEDXOZRMCPQSPK-CQSZACIVSA-N -1 1 388.435 1.141 20 30 GDEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573290618 946908105 /nfs/dbraw/zinc/90/81/05/946908105.db2.gz NEDXOZRMCPQSPK-CQSZACIVSA-N -1 1 388.435 1.141 20 30 GDEDMM C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573292694 946937701 /nfs/dbraw/zinc/93/77/01/946937701.db2.gz ZNCZFDIPECMOFU-JTQLQIEISA-N -1 1 380.250 1.155 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573294727 946998084 /nfs/dbraw/zinc/99/80/84/946998084.db2.gz JXLCAGKDLJALBS-DCGLDWPTSA-N -1 1 398.471 1.213 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573294727 946998089 /nfs/dbraw/zinc/99/80/89/946998089.db2.gz JXLCAGKDLJALBS-DCGLDWPTSA-N -1 1 398.471 1.213 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC(N(CC2CC2)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573565268 947005998 /nfs/dbraw/zinc/00/59/98/947005998.db2.gz PQEUBYBZXJHCPY-GFCCVEGCSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573567294 947041084 /nfs/dbraw/zinc/04/10/84/947041084.db2.gz LNNRSETXJVNWIC-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573567294 947041098 /nfs/dbraw/zinc/04/10/98/947041098.db2.gz LNNRSETXJVNWIC-ACJLOTCBSA-N -1 1 381.444 1.025 20 30 GDEDMM C=C1CC(C)(C(=O)N(C)CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)C1 ZINC001573297769 947065979 /nfs/dbraw/zinc/06/59/79/947065979.db2.gz LLGUHSLAKCBOSD-CQSZACIVSA-N -1 1 384.488 1.720 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001573572116 947108778 /nfs/dbraw/zinc/10/87/78/947108778.db2.gz FHKDKIWLFHSJBN-QXCOYKANSA-N -1 1 392.876 1.976 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC001573573465 947122456 /nfs/dbraw/zinc/12/24/56/947122456.db2.gz NMEWDDZCYXQQAO-XWRVAKJBSA-N -1 1 392.876 1.754 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC001573573465 947122460 /nfs/dbraw/zinc/12/24/60/947122460.db2.gz NMEWDDZCYXQQAO-XWRVAKJBSA-N -1 1 392.876 1.754 20 30 GDEDMM C=C(C)CCC(=O)N1CCC[C@](CO)(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573301073 947128990 /nfs/dbraw/zinc/12/89/90/947128990.db2.gz YNWZTRAWKGKXSQ-KRWDZBQOSA-N -1 1 391.501 1.753 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC1 ZINC001573578031 947179936 /nfs/dbraw/zinc/17/99/36/947179936.db2.gz XKWKSPBOCHFRJQ-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573307716 947182135 /nfs/dbraw/zinc/18/21/35/947182135.db2.gz VHNVVAPMFVHSQJ-LJQANCHMSA-N -1 1 384.488 1.982 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573307716 947182141 /nfs/dbraw/zinc/18/21/41/947182141.db2.gz VHNVVAPMFVHSQJ-LJQANCHMSA-N -1 1 384.488 1.982 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309145 947190983 /nfs/dbraw/zinc/19/09/83/947190983.db2.gz DHQFSNQGLBYMBG-DFHBCGBQSA-N -1 1 386.460 1.144 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309145 947190988 /nfs/dbraw/zinc/19/09/88/947190988.db2.gz DHQFSNQGLBYMBG-DFHBCGBQSA-N -1 1 386.460 1.144 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001573326083 947365856 /nfs/dbraw/zinc/36/58/56/947365856.db2.gz KGNBSIBWDSXBES-DZGCQCFKSA-N -1 1 382.472 1.899 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573326083 947365871 /nfs/dbraw/zinc/36/58/71/947365871.db2.gz KGNBSIBWDSXBES-DZGCQCFKSA-N -1 1 382.472 1.899 20 30 GDEDMM C=CCC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001573326803 947381771 /nfs/dbraw/zinc/38/17/71/947381771.db2.gz VZSZNBNCLLGHOU-CQSZACIVSA-N -1 1 382.472 1.736 20 30 GDEDMM C=CCC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001573326803 947381788 /nfs/dbraw/zinc/38/17/88/947381788.db2.gz VZSZNBNCLLGHOU-CQSZACIVSA-N -1 1 382.472 1.736 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573336216 947503946 /nfs/dbraw/zinc/50/39/46/947503946.db2.gz LFIWTJGTURBFAX-PWSUYJOCSA-N -1 1 379.490 1.554 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573337080 947514621 /nfs/dbraw/zinc/51/46/21/947514621.db2.gz UBWSJYCEZHMFGC-UONOGXRCSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573337080 947514629 /nfs/dbraw/zinc/51/46/29/947514629.db2.gz UBWSJYCEZHMFGC-UONOGXRCSA-N -1 1 386.460 1.288 20 30 GDEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573347742 947576085 /nfs/dbraw/zinc/57/60/85/947576085.db2.gz HABHXKBISFZCGL-UONOGXRCSA-N -1 1 386.460 1.113 20 30 GDEDMM CC#CCCCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573358140 947657357 /nfs/dbraw/zinc/65/73/57/947657357.db2.gz GHINNYBATKOMBA-HNNXBMFYSA-N -1 1 382.472 1.359 20 30 GDEDMM CC#CCCCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573359283 947683061 /nfs/dbraw/zinc/68/30/61/947683061.db2.gz YEILVAZXQAXWGL-LIRRHRJNSA-N -1 1 380.456 1.325 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576185039 950152686 /nfs/dbraw/zinc/15/26/86/950152686.db2.gz YZWIOVHSJOAKCE-BXUZGUMPSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576185039 950152700 /nfs/dbraw/zinc/15/27/00/950152700.db2.gz YZWIOVHSJOAKCE-BXUZGUMPSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574982553 950171452 /nfs/dbraw/zinc/17/14/52/950171452.db2.gz DEBLAFZEZKKYKX-SSDOTTSWSA-N -1 1 391.848 1.431 20 30 GDEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574982553 950171459 /nfs/dbraw/zinc/17/14/59/950171459.db2.gz DEBLAFZEZKKYKX-SSDOTTSWSA-N -1 1 391.848 1.431 20 30 GDEDMM C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574738789 950174418 /nfs/dbraw/zinc/17/44/18/950174418.db2.gz HWDCJYLOKPKTKT-SSDOTTSWSA-N -1 1 391.848 1.749 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190937 950174614 /nfs/dbraw/zinc/17/46/14/950174614.db2.gz DSWNKCWFQOIJTN-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190937 950174625 /nfs/dbraw/zinc/17/46/25/950174625.db2.gz DSWNKCWFQOIJTN-WCQYABFASA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193699 950311691 /nfs/dbraw/zinc/31/16/91/950311691.db2.gz WIEWUWCKXPUIND-DGCLKSJQSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193699 950311714 /nfs/dbraw/zinc/31/17/14/950311714.db2.gz WIEWUWCKXPUIND-DGCLKSJQSA-N -1 1 392.427 1.067 20 30 GDEDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](Nc1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001573857447 950402724 /nfs/dbraw/zinc/40/27/24/950402724.db2.gz QQQNOJFPXOQTDK-FOGDFJRCSA-N -1 1 383.416 1.481 20 30 GDEDMM COC(=O)c1ccc(N2CC(Oc3ccc(C#N)cc3)C2)c(-c2nnn[n-]2)n1 ZINC001571124232 952534597 /nfs/dbraw/zinc/53/45/97/952534597.db2.gz BXHOPUSTLNRLKS-UHFFFAOYSA-N -1 1 377.364 1.188 20 30 GDEDMM 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C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795911542 655195422 /nfs/dbraw/zinc/19/54/22/655195422.db2.gz LIYRKAZQEXHPER-MRVPVSSYSA-N -1 1 397.222 1.959 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c([N+](=O)[O-])c1 ZINC000765127465 655231126 /nfs/dbraw/zinc/23/11/26/655231126.db2.gz SHGUZIPENRKLBQ-UHFFFAOYSA-N -1 1 376.379 1.777 20 30 GDEDMM C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000840945370 655305200 /nfs/dbraw/zinc/30/52/00/655305200.db2.gz LPZNYQNEJBECHP-FBMGVBCBSA-N -1 1 383.495 1.655 20 30 GDEDMM CC(C)(C)C[C@@H](O)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC000821247504 655424938 /nfs/dbraw/zinc/42/49/38/655424938.db2.gz HVVPJJLANBLPOX-NEPJUHHUSA-N -1 1 376.381 1.365 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CC)C(F)F ZINC000848956691 655505153 /nfs/dbraw/zinc/50/51/53/655505153.db2.gz ZSFYIZGVDVCAQW-VXGBXAGGSA-N -1 1 394.465 1.651 20 30 GDEDMM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1)C(C)(C)C ZINC000848962030 655509745 /nfs/dbraw/zinc/50/97/45/655509745.db2.gz INUWNXIRIJBZLV-GFCCVEGCSA-N -1 1 391.490 1.320 20 30 GDEDMM COCOCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000859383926 655780046 /nfs/dbraw/zinc/78/00/46/655780046.db2.gz PYNZYDXMAXCCQY-UHFFFAOYSA-N -1 1 381.223 1.749 20 30 GDEDMM CN1CCC(N=NC2=NC(=O)C(=O)[N-]2)C[C@H]1c1ccc(Br)cc1 ZINC000863106278 655861772 /nfs/dbraw/zinc/86/17/72/655861772.db2.gz SWAQSRZCIBPVAJ-LBPRGKRZSA-N -1 1 378.230 1.174 20 30 GDEDMM N#CCN1CCC(CNC(=O)c2ccc(I)cc2[O-])CC1 ZINC000866067442 655934032 /nfs/dbraw/zinc/93/40/32/655934032.db2.gz DHALROXRWKQOOK-UHFFFAOYSA-N -1 1 399.232 1.962 20 30 GDEDMM CC(C)(C#N)CS(=O)(=O)[N-][C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000915842397 660179718 /nfs/dbraw/zinc/17/97/18/660179718.db2.gz PAEUUSUJHQUXTK-GFCCVEGCSA-N -1 1 386.271 1.633 20 30 GDEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)nn(C)c2OCC(F)(F)F)o1 ZINC000822424696 946085346 /nfs/dbraw/zinc/08/53/46/946085346.db2.gz ZMLJIQVHNAGWMA-UHFFFAOYSA-N -1 1 385.310 1.592 20 30 GDEDMM Cc1cccc(NC(=O)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)n1 ZINC001571296010 946182127 /nfs/dbraw/zinc/18/21/27/946182127.db2.gz MAXAGPJRTDUTRS-LBPRGKRZSA-N -1 1 390.411 1.087 20 30 GDEDMM Cc1cccc(NC(=O)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)n1 ZINC001571296010 946182134 /nfs/dbraw/zinc/18/21/34/946182134.db2.gz MAXAGPJRTDUTRS-LBPRGKRZSA-N -1 1 390.411 1.087 20 30 GDEDMM N#Cc1[n-]c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)nc1-c1nn[nH]n1 ZINC001571302220 946296953 /nfs/dbraw/zinc/29/69/53/946296953.db2.gz RSHALTAQIMCRJZ-HNNXBMFYSA-N -1 1 391.395 1.154 20 30 GDEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571313443 946522414 /nfs/dbraw/zinc/52/24/14/946522414.db2.gz RFGQKAZFCDITHU-UMSPYCQHSA-N -1 1 392.427 1.039 20 30 GDEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571313443 946522419 /nfs/dbraw/zinc/52/24/19/946522419.db2.gz RFGQKAZFCDITHU-UMSPYCQHSA-N -1 1 392.427 1.039 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001571313952 946536409 /nfs/dbraw/zinc/53/64/09/946536409.db2.gz YAVRKIDCTIZYRC-RISCZKNCSA-N -1 1 392.427 1.257 20 30 GDEDMM N#Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571313952 946536421 /nfs/dbraw/zinc/53/64/21/946536421.db2.gz YAVRKIDCTIZYRC-RISCZKNCSA-N -1 1 392.427 1.257 20 30 GDEDMM C#CCN(C(=O)c1occc1C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573283110 946707459 /nfs/dbraw/zinc/70/74/59/946707459.db2.gz PAHLKSUAYUXELC-UHFFFAOYSA-N -1 1 392.423 1.303 20 30 GDEDMM C#CCN(C(=O)c1occc1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573283110 946707463 /nfs/dbraw/zinc/70/74/63/946707463.db2.gz PAHLKSUAYUXELC-UHFFFAOYSA-N -1 1 392.423 1.303 20 30 GDEDMM C#CCN(C(=O)C1=CCCC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573283602 946719349 /nfs/dbraw/zinc/71/93/49/946719349.db2.gz UFARAIRNNIJIQV-UHFFFAOYSA-N -1 1 378.440 1.198 20 30 GDEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573283949 946733588 /nfs/dbraw/zinc/73/35/88/946733588.db2.gz ONLKNDOQNSVAFJ-JTQLQIEISA-N -1 1 379.877 1.865 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573285403 946778725 /nfs/dbraw/zinc/77/87/25/946778725.db2.gz HHKYCESPZKZAHF-IUCAKERBSA-N -1 1 383.865 1.322 20 30 GDEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573285403 946778735 /nfs/dbraw/zinc/77/87/35/946778735.db2.gz HHKYCESPZKZAHF-IUCAKERBSA-N -1 1 383.865 1.322 20 30 GDEDMM C#CCOCCC(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573286578 946812516 /nfs/dbraw/zinc/81/25/16/946812516.db2.gz FJHSNTBEVLUXPT-SECBINFHSA-N -1 1 383.865 1.323 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573288588 946870585 /nfs/dbraw/zinc/87/05/85/946870585.db2.gz RYNDXDJJAMIRML-GOEBONIOSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573288588 946870604 /nfs/dbraw/zinc/87/06/04/946870604.db2.gz RYNDXDJJAMIRML-GOEBONIOSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573289399 946885690 /nfs/dbraw/zinc/88/56/90/946885690.db2.gz YTDWTGISIZNJDK-INIZCTEOSA-N -1 1 388.435 1.427 20 30 GDEDMM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573292874 946943309 /nfs/dbraw/zinc/94/33/09/946943309.db2.gz GBIHROPAKDOKIT-KBPBESRZSA-N -1 1 384.488 1.577 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573566295 947024608 /nfs/dbraw/zinc/02/46/08/947024608.db2.gz AUEFYMHGPSLWNE-KXUCPTDWSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573566295 947024621 /nfs/dbraw/zinc/02/46/21/947024621.db2.gz AUEFYMHGPSLWNE-KXUCPTDWSA-N -1 1 392.876 1.706 20 30 GDEDMM C=C(Cl)C[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001573296110 947039376 /nfs/dbraw/zinc/03/93/76/947039376.db2.gz ZKTXHQZQLBJDQI-JTQLQIEISA-N -1 1 380.792 1.080 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573572079 947109197 /nfs/dbraw/zinc/10/91/97/947109197.db2.gz DUAWGNAGKWPVHV-QMMMGPOBSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573572079 947109207 /nfs/dbraw/zinc/10/92/07/947109207.db2.gz DUAWGNAGKWPVHV-QMMMGPOBSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@H](C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573301360 947136678 /nfs/dbraw/zinc/13/66/78/947136678.db2.gz ZFCGKHKJPZEWSU-HIFRSBDPSA-N -1 1 378.440 1.307 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573305215 947152709 /nfs/dbraw/zinc/15/27/09/947152709.db2.gz BPBCWBSCDQGKLY-RTBURBONSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573305215 947152713 /nfs/dbraw/zinc/15/27/13/947152713.db2.gz BPBCWBSCDQGKLY-RTBURBONSA-N -1 1 382.472 1.688 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573310031 947215216 /nfs/dbraw/zinc/21/52/16/947215216.db2.gz RMCCAYMVFJEVNH-ACJLOTCBSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573310031 947215227 /nfs/dbraw/zinc/21/52/27/947215227.db2.gz RMCCAYMVFJEVNH-ACJLOTCBSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573316968 947289709 /nfs/dbraw/zinc/28/97/09/947289709.db2.gz KANQBWRUJQKMDZ-CABCVRRESA-N -1 1 392.467 1.697 20 30 GDEDMM C=CCC(CC=C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573319402 947331891 /nfs/dbraw/zinc/33/18/91/947331891.db2.gz NDURVKKOFFRRFC-UHFFFAOYSA-N -1 1 382.472 1.852 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573335827 947489300 /nfs/dbraw/zinc/48/93/00/947489300.db2.gz FBJFXZZFLVQPMU-ZDUSSCGKSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCCO[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573335827 947489308 /nfs/dbraw/zinc/48/93/08/947489308.db2.gz FBJFXZZFLVQPMU-ZDUSSCGKSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCOCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]1C ZINC001573344046 947567365 /nfs/dbraw/zinc/56/73/65/947567365.db2.gz XIAIJVHQCOKIHZ-IUCAKERBSA-N -1 1 383.865 1.581 20 30 GDEDMM C=CCOc1ccc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573348177 947581959 /nfs/dbraw/zinc/58/19/59/947581959.db2.gz NMGUHTIKYAPJMK-UHFFFAOYSA-N -1 1 377.451 1.972 20 30 GDEDMM C=CCOCCCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573348805 947589939 /nfs/dbraw/zinc/58/99/39/947589939.db2.gz WSSSQEVXRORMFM-CQSZACIVSA-N -1 1 386.460 1.115 20 30 GDEDMM C=CCOCCCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573348805 947589944 /nfs/dbraw/zinc/58/99/44/947589944.db2.gz WSSSQEVXRORMFM-CQSZACIVSA-N -1 1 386.460 1.115 20 30 GDEDMM N#Cc1ncn(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1-c1nn[n-]n1 ZINC000826388102 948191558 /nfs/dbraw/zinc/19/15/58/948191558.db2.gz IPFATVGSINDQNK-UHFFFAOYSA-N -1 1 375.371 1.797 20 30 GDEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001574472179 949545687 /nfs/dbraw/zinc/54/56/87/949545687.db2.gz RGWMUWFUPNQFBD-NSHDSACASA-N -1 1 396.436 1.456 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178416 949886939 /nfs/dbraw/zinc/88/69/39/949886939.db2.gz BFMVAGVSJOVVFG-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178416 949886957 /nfs/dbraw/zinc/88/69/57/949886957.db2.gz BFMVAGVSJOVVFG-IAQYHMDHSA-N -1 1 392.427 1.209 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192952 950278758 /nfs/dbraw/zinc/27/87/58/950278758.db2.gz RTLKPESWXWYLLI-NEPJUHHUSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192952 950278777 /nfs/dbraw/zinc/27/87/77/950278777.db2.gz RTLKPESWXWYLLI-NEPJUHHUSA-N -1 1 392.427 1.067 20 30 GDEDMM 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N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571135922 952610224 /nfs/dbraw/zinc/61/02/24/952610224.db2.gz IBLVRFPWYMTHTH-GHMZBOCLSA-N -1 1 378.400 1.010 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571172603 952808818 /nfs/dbraw/zinc/80/88/18/952808818.db2.gz YAEOOJHMKHAHMW-BDAKNGLRSA-N -1 1 380.865 1.929 20 30 GDEDMM N#Cc1ccc(CC(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC001574485398 961675792 /nfs/dbraw/zinc/67/57/92/961675792.db2.gz GHDUYIBSBIUFSF-GXTWGEPZSA-N -1 1 383.326 1.223 20 30 GDEDMM C#CCN1CCC(C(=O)N(c2nc(CC(=O)[O-])cs2)N2CCCCC2)CC1 ZINC001573311154 962694989 /nfs/dbraw/zinc/69/49/89/962694989.db2.gz IGQLDUSVIZQGHF-UHFFFAOYSA-N -1 1 390.509 1.849 20 30 GDEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@H]2CCO[C@H]2C(=O)[O-])c1C#N ZINC001599973367 986046329 /nfs/dbraw/zinc/04/63/29/986046329.db2.gz PKQBNZITJVDWAQ-PKOBYXMFSA-N -1 1 396.447 1.795 20 30 GDEDMM C[C@@H]1C[C@H](C)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 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/nfs/dbraw/zinc/49/56/76/946495676.db2.gz INGCGDLLLAAWSV-BXUZGUMPSA-N -1 1 392.427 1.209 20 30 GDEDMM C#CCN([C@H]1CCN(CC(=O)[O-])C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001602679193 971258127 /nfs/dbraw/zinc/25/81/27/971258127.db2.gz KVVCATBRBJVIIB-HNNXBMFYSA-N -1 1 379.457 1.007 20 30 GDEDMM C#CCCCCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573282297 946687803 /nfs/dbraw/zinc/68/78/03/946687803.db2.gz IFTCWLMFZZNDPR-CQSZACIVSA-N -1 1 388.497 1.439 20 30 GDEDMM C#CCN(C(=O)C1CC=CC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573282933 946702029 /nfs/dbraw/zinc/70/20/29/946702029.db2.gz NRRCWQFKXHZWHF-UHFFFAOYSA-N -1 1 378.440 1.054 20 30 GDEDMM C#CCN(C(=O)C1CC=CC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573282933 946702036 /nfs/dbraw/zinc/70/20/36/946702036.db2.gz NRRCWQFKXHZWHF-UHFFFAOYSA-N -1 1 378.440 1.054 20 30 GDEDMM C#CCCCCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](OCC)C1 ZINC001573283407 946715220 /nfs/dbraw/zinc/71/52/20/946715220.db2.gz IILDTCNSVUVVMF-GDBMZVCRSA-N -1 1 398.471 1.126 20 30 GDEDMM C#CCCCCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](OCC)C1 ZINC001573283407 946715227 /nfs/dbraw/zinc/71/52/27/946715227.db2.gz IILDTCNSVUVVMF-GDBMZVCRSA-N -1 1 398.471 1.126 20 30 GDEDMM C#CCCCCCC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573283485 946717879 /nfs/dbraw/zinc/71/78/79/946717879.db2.gz UOUPPQGQJXKUFE-UHFFFAOYSA-N -1 1 382.472 1.313 20 30 GDEDMM C#CCC1(C(=O)NC[C@H](CC)Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573284579 946749861 /nfs/dbraw/zinc/74/98/61/946749861.db2.gz GNRDJPCWYFJSTQ-AWEZNQCLSA-N -1 1 382.472 1.359 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C)cc1 ZINC001573287274 946832123 /nfs/dbraw/zinc/83/21/23/946832123.db2.gz HBJCCHKVOCZINB-XJKSGUPXSA-N -1 1 388.435 1.165 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)CCCCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001573287734 946846509 /nfs/dbraw/zinc/84/65/09/946846509.db2.gz KQIDECZBIIQOTC-CYBMUJFWSA-N -1 1 391.439 1.434 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@H](C)CCCCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001573287734 946846526 /nfs/dbraw/zinc/84/65/26/946846526.db2.gz KQIDECZBIIQOTC-CYBMUJFWSA-N -1 1 391.439 1.434 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573287991 946852006 /nfs/dbraw/zinc/85/20/06/946852006.db2.gz HEIAQCSZQPRKSR-BBRMVZONSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573287991 946852017 /nfs/dbraw/zinc/85/20/17/946852017.db2.gz HEIAQCSZQPRKSR-BBRMVZONSA-N -1 1 388.435 1.601 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573288071 946855449 /nfs/dbraw/zinc/85/54/49/946855449.db2.gz MPFBONGHJRVBLN-FQEVSTJZSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573288071 946855461 /nfs/dbraw/zinc/85/54/61/946855461.db2.gz MPFBONGHJRVBLN-FQEVSTJZSA-N -1 1 388.435 1.649 20 30 GDEDMM C#Cc1ccc(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573288098 946855962 /nfs/dbraw/zinc/85/59/62/946855962.db2.gz NHNZYJLMAYLQRI-UHFFFAOYSA-N -1 1 388.435 1.791 20 30 GDEDMM C#Cc1ccc(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573288098 946855974 /nfs/dbraw/zinc/85/59/74/946855974.db2.gz NHNZYJLMAYLQRI-UHFFFAOYSA-N -1 1 388.435 1.791 20 30 GDEDMM C[C@H](C#N)C(=O)N(CCCNc1ccnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001573560400 946951661 /nfs/dbraw/zinc/95/16/61/946951661.db2.gz BWHIXBCDEPNQDI-CYBMUJFWSA-N -1 1 383.460 1.059 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573563579 946983975 /nfs/dbraw/zinc/98/39/75/946983975.db2.gz AYOXBJMGZBBJBF-ZDUSSCGKSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573563579 946983978 /nfs/dbraw/zinc/98/39/78/946983978.db2.gz AYOXBJMGZBBJBF-ZDUSSCGKSA-N -1 1 381.444 1.025 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565668 947010565 /nfs/dbraw/zinc/01/05/65/947010565.db2.gz UAYJVUIURGQOIG-DOMZBBRYSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565668 947010576 /nfs/dbraw/zinc/01/05/76/947010576.db2.gz UAYJVUIURGQOIG-DOMZBBRYSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565523 947011244 /nfs/dbraw/zinc/01/12/44/947011244.db2.gz RPGUKLAWWSOPEM-DTWKUNHWSA-N -1 1 380.865 1.787 20 30 GDEDMM C=C1CCC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573296743 947054609 /nfs/dbraw/zinc/05/46/09/947054609.db2.gz ZFQMSXJDTGQKCO-CQSZACIVSA-N -1 1 382.472 1.736 20 30 GDEDMM C=C1CCC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573296743 947054621 /nfs/dbraw/zinc/05/46/21/947054621.db2.gz ZFQMSXJDTGQKCO-CQSZACIVSA-N -1 1 382.472 1.736 20 30 GDEDMM C[C@@H](C#N)C(=O)NC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC1 ZINC001573571989 947107057 /nfs/dbraw/zinc/10/70/57/947107057.db2.gz CPWWORONSVCTAJ-QMMMGPOBSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C[C@@H](C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573301214 947132908 /nfs/dbraw/zinc/13/29/08/947132908.db2.gz UFTNCAYSTFBABB-UKRRQHHQSA-N -1 1 378.440 1.213 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573305777 947160394 /nfs/dbraw/zinc/16/03/94/947160394.db2.gz GCIYXLIYWCBQIQ-YXAHYYACSA-N -1 1 382.472 1.875 20 30 GDEDMM C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573305777 947160401 /nfs/dbraw/zinc/16/04/01/947160401.db2.gz GCIYXLIYWCBQIQ-YXAHYYACSA-N -1 1 382.472 1.875 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573581937 947184752 /nfs/dbraw/zinc/18/47/52/947184752.db2.gz APIJAHWVLBKMBV-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573581937 947184756 /nfs/dbraw/zinc/18/47/56/947184756.db2.gz APIJAHWVLBKMBV-ZFWWWQNUSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573582759 947196078 /nfs/dbraw/zinc/19/60/78/947196078.db2.gz GYMJWFMJAKYQAL-UKRRQHHQSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573582759 947196086 /nfs/dbraw/zinc/19/60/86/947196086.db2.gz GYMJWFMJAKYQAL-UKRRQHHQSA-N -1 1 391.439 1.346 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573309621 947206242 /nfs/dbraw/zinc/20/62/42/947206242.db2.gz LPNIESTZMIWMFE-ACJLOTCBSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573309621 947206250 /nfs/dbraw/zinc/20/62/50/947206250.db2.gz LPNIESTZMIWMFE-ACJLOTCBSA-N -1 1 388.476 1.235 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573310603 947225193 /nfs/dbraw/zinc/22/51/93/947225193.db2.gz YHSNCWRWUGQMAQ-CQSZACIVSA-N -1 1 385.881 1.734 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573310603 947225205 /nfs/dbraw/zinc/22/52/05/947225205.db2.gz YHSNCWRWUGQMAQ-CQSZACIVSA-N -1 1 385.881 1.734 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CCCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001573316251 947269280 /nfs/dbraw/zinc/26/92/80/947269280.db2.gz TXGPSFZSOJYXIM-AWEZNQCLSA-N -1 1 384.488 1.860 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CCCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001573316251 947269287 /nfs/dbraw/zinc/26/92/87/947269287.db2.gz TXGPSFZSOJYXIM-AWEZNQCLSA-N -1 1 384.488 1.860 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573320349 947346654 /nfs/dbraw/zinc/34/66/54/947346654.db2.gz WLYIFZFQWNLKLJ-KGLIPLIRSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573320349 947346669 /nfs/dbraw/zinc/34/66/69/947346669.db2.gz WLYIFZFQWNLKLJ-KGLIPLIRSA-N -1 1 382.472 1.829 20 30 GDEDMM C=CCC1(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573326338 947371816 /nfs/dbraw/zinc/37/18/16/947371816.db2.gz NTFFQOXIDTZGTI-AWEZNQCLSA-N -1 1 384.488 1.912 20 30 GDEDMM C=CCCOCC(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573336313 947504340 /nfs/dbraw/zinc/50/43/40/947504340.db2.gz MKIRCBUPLJUNQY-UHFFFAOYSA-N -1 1 377.474 1.627 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573336197 947504730 /nfs/dbraw/zinc/50/47/30/947504730.db2.gz KXHAFWGXQKYXKF-ZIAGYGMSSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573336197 947504745 /nfs/dbraw/zinc/50/47/45/947504745.db2.gz KXHAFWGXQKYXKF-ZIAGYGMSSA-N -1 1 386.460 1.113 20 30 GDEDMM C=CCOCCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573347926 947578287 /nfs/dbraw/zinc/57/82/87/947578287.db2.gz JONVAEZFBPTCQB-KGLIPLIRSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCOCCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573347926 947578301 /nfs/dbraw/zinc/57/83/01/947578301.db2.gz JONVAEZFBPTCQB-KGLIPLIRSA-N -1 1 386.460 1.479 20 30 GDEDMM C=CCOCCCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573348804 947589215 /nfs/dbraw/zinc/58/92/15/947589215.db2.gz WSSSQEVXRORMFM-AWEZNQCLSA-N -1 1 386.460 1.115 20 30 GDEDMM C=CCOCCCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573348804 947589223 /nfs/dbraw/zinc/58/92/23/947589223.db2.gz WSSSQEVXRORMFM-AWEZNQCLSA-N -1 1 386.460 1.115 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573351868 947621360 /nfs/dbraw/zinc/62/13/60/947621360.db2.gz WNTRNNCVWFQMAX-NFAWXSAZSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573351868 947621376 /nfs/dbraw/zinc/62/13/76/947621376.db2.gz WNTRNNCVWFQMAX-NFAWXSAZSA-N -1 1 386.460 1.335 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573358592 947665332 /nfs/dbraw/zinc/66/53/32/947665332.db2.gz FOPAHUDZGAHNAT-GJZGRUSLSA-N -1 1 382.472 1.747 20 30 GDEDMM CC#CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573358592 947665342 /nfs/dbraw/zinc/66/53/42/947665342.db2.gz FOPAHUDZGAHNAT-GJZGRUSLSA-N -1 1 382.472 1.747 20 30 GDEDMM Cc1c(Cl)cnc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C#N ZINC000826238026 947699902 /nfs/dbraw/zinc/69/99/02/947699902.db2.gz UGVUHLKHVFSDHS-JTQLQIEISA-N -1 1 396.846 1.600 20 30 GDEDMM Cc1c(Cl)cnc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C#N ZINC000826238026 947699905 /nfs/dbraw/zinc/69/99/05/947699905.db2.gz UGVUHLKHVFSDHS-JTQLQIEISA-N -1 1 396.846 1.600 20 30 GDEDMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001573823389 949831632 /nfs/dbraw/zinc/83/16/32/949831632.db2.gz WAYTYMZWADBFBL-CYBMUJFWSA-N -1 1 380.416 1.113 20 30 GDEDMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001573823389 949831649 /nfs/dbraw/zinc/83/16/49/949831649.db2.gz WAYTYMZWADBFBL-CYBMUJFWSA-N -1 1 380.416 1.113 20 30 GDEDMM CC1CCN(C(=O)C2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)CC1 ZINC001576183880 950105852 /nfs/dbraw/zinc/10/58/52/950105852.db2.gz 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KRUIHEOMMIYMLZ-VXGBXAGGSA-N -1 1 399.459 1.515 20 30 GDEDMM C[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576213916 950656567 /nfs/dbraw/zinc/65/65/67/950656567.db2.gz KRUIHEOMMIYMLZ-VXGBXAGGSA-N -1 1 399.459 1.515 20 30 GDEDMM N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001594625123 956307337 /nfs/dbraw/zinc/30/73/37/956307337.db2.gz DSZMRJRAISZEKX-MGPQQGTHSA-N -1 1 385.342 1.188 20 30 GDEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588543248 958978550 /nfs/dbraw/zinc/97/85/50/958978550.db2.gz JJJCKMISIIEZRL-TYILLQQXSA-N -1 1 389.477 1.910 20 30 GDEDMM COC[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC001604542543 973537871 /nfs/dbraw/zinc/53/78/71/973537871.db2.gz XEOXJQCCKUBPHM-QRWLVFNGSA-N -1 1 389.452 1.753 20 30 GDEDMM C[C@@](CC(=O)[O-])(NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccn1 ZINC001592334213 977777128 /nfs/dbraw/zinc/77/71/28/977777128.db2.gz NJULUOZVRDARIA-INIZCTEOSA-N -1 1 381.360 1.900 20 30 GDEDMM CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C#N ZINC000751548745 978692593 /nfs/dbraw/zinc/69/25/93/978692593.db2.gz PNJZKXSFZSEWMX-UHFFFAOYSA-N -1 1 392.393 1.964 20 30 GDEDMM COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001599257232 998324663 /nfs/dbraw/zinc/32/46/63/998324663.db2.gz AGGWMTWXWOSRIZ-UHFFFAOYSA-N -1 1 392.389 1.788 20 30 GDEDMM CC[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C#N)ccn2)C1 ZINC000349486774 531240972 /nfs/dbraw/zinc/24/09/72/531240972.db2.gz CCYAHXHRJGVIKX-CYBMUJFWSA-N -1 1 386.499 1.147 20 30 GDEDMM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(C#N)n2)CC1 ZINC000349507622 531272362 /nfs/dbraw/zinc/27/23/62/531272362.db2.gz LQNVQGAOZSVAPG-UHFFFAOYSA-N -1 1 384.483 1.067 20 30 GDEDMM CC(C)[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000349519235 531288839 /nfs/dbraw/zinc/28/88/39/531288839.db2.gz OWSSZOCDYRWEQZ-CYBMUJFWSA-N -1 1 388.515 1.391 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)cc1Br ZINC000528484136 531360336 /nfs/dbraw/zinc/36/03/36/531360336.db2.gz HPEXEEIMIYHJOW-RYUDHWBXSA-N -1 1 393.234 1.278 20 30 GDEDMM N#Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCCC2)c1 ZINC000349608254 531393487 /nfs/dbraw/zinc/39/34/87/531393487.db2.gz WZECRQZBBMMLLE-UHFFFAOYSA-N -1 1 386.499 1.337 20 30 GDEDMM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1)C(C)(C)C ZINC000349610830 531399740 /nfs/dbraw/zinc/39/97/40/531399740.db2.gz DAYSTIKOOWMWJT-GFCCVEGCSA-N -1 1 388.515 1.439 20 30 GDEDMM C[C@H]1CCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C#N)n1 ZINC000349625029 531410854 /nfs/dbraw/zinc/41/08/54/531410854.db2.gz YOIOPNKXZYTMLX-GXTWGEPZSA-N -1 1 386.499 1.193 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CC#N)CC2)c(F)c1 ZINC000541915215 531475026 /nfs/dbraw/zinc/47/50/26/531475026.db2.gz CRRPNWVLUCYYCG-UHFFFAOYSA-N -1 1 375.447 1.512 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)cc1Br ZINC000295264409 531550091 /nfs/dbraw/zinc/55/00/91/531550091.db2.gz RPOBRVLNUQGTPF-LBPRGKRZSA-N -1 1 395.275 1.606 20 30 GDEDMM CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295702428 531614069 /nfs/dbraw/zinc/61/40/69/531614069.db2.gz MPARDLNRVNCYDE-UHFFFAOYSA-N -1 1 399.263 1.173 20 30 GDEDMM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000296336488 531683630 /nfs/dbraw/zinc/68/36/30/531683630.db2.gz RCMMNCOFMUXBRD-ISVAXAHUSA-N -1 1 393.234 1.278 20 30 GDEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1S(N)(=O)=O ZINC000619461276 531703715 /nfs/dbraw/zinc/70/37/15/531703715.db2.gz FNIMSQJYSDXOET-UHFFFAOYSA-N -1 1 381.435 1.209 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)cc1Br ZINC000591332376 531716820 /nfs/dbraw/zinc/71/68/20/531716820.db2.gz MSQIDNNHQUBHDK-VIFPVBQESA-N -1 1 390.234 1.407 20 30 GDEDMM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)N2CCCOCC2)n1 ZINC000593211607 531822228 /nfs/dbraw/zinc/82/22/28/531822228.db2.gz XTOCGPPLPKQFKC-UHFFFAOYSA-N -1 1 381.845 1.776 20 30 GDEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000431179199 532261751 /nfs/dbraw/zinc/26/17/51/532261751.db2.gz MJCIJNHAQGSRQT-UHFFFAOYSA-N -1 1 379.463 1.918 20 30 GDEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000431193164 532261881 /nfs/dbraw/zinc/26/18/81/532261881.db2.gz JERVSJVZNVULSE-UHFFFAOYSA-N -1 1 379.463 1.918 20 30 GDEDMM CC(C)[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C#N)ccn1 ZINC000349455122 532289126 /nfs/dbraw/zinc/28/91/26/532289126.db2.gz HIFQOSSDKPKFOR-AWEZNQCLSA-N -1 1 386.499 1.145 20 30 GDEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc(C(F)(F)F)ccc1C#N ZINC000736798412 599039612 /nfs/dbraw/zinc/03/96/12/599039612.db2.gz ZGXAJMYSORYZIJ-UHFFFAOYSA-N -1 1 392.349 1.526 20 30 GDEDMM CCN1CCN(c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2F)CC1 ZINC000820353759 598227027 /nfs/dbraw/zinc/22/70/27/598227027.db2.gz AUSCOWOCBCXZBB-IBGZPJMESA-N -1 1 376.432 1.588 20 30 GDEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C#N)CC(C)C ZINC000737487752 598333736 /nfs/dbraw/zinc/33/37/36/598333736.db2.gz LWTOLVOMBJFZKU-ZDUSSCGKSA-N -1 1 381.444 1.513 20 30 GDEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C#N)CC(C)C ZINC000737487752 598333738 /nfs/dbraw/zinc/33/37/38/598333738.db2.gz LWTOLVOMBJFZKU-ZDUSSCGKSA-N -1 1 381.444 1.513 20 30 GDEDMM Cc1cc(C)n(N=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)c1-c1nn[n-]n1 ZINC000737256238 598580948 /nfs/dbraw/zinc/58/09/48/598580948.db2.gz ISFRPLJKBFBWIO-UHFFFAOYSA-N -1 1 378.371 1.852 20 30 GDEDMM CCc1nn(CC(=O)[C@H](C#N)c2nc(C)cs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705957 598641952 /nfs/dbraw/zinc/64/19/52/598641952.db2.gz QPPVULMJHPCKDH-NSHDSACASA-N -1 1 398.452 1.190 20 30 GDEDMM CCc1nn(CC(=O)[C@@H](C#N)c2nc(C)cs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705956 598642130 /nfs/dbraw/zinc/64/21/30/598642130.db2.gz QPPVULMJHPCKDH-LLVKDONJSA-N -1 1 398.452 1.190 20 30 GDEDMM N#Cc1[n-]c(NC(=O)CCCCOc2cccc(C#N)c2)nc1-c1nn[nH]n1 ZINC000737730996 598718898 /nfs/dbraw/zinc/71/88/98/598718898.db2.gz VEEBGXCZASCBNV-UHFFFAOYSA-N -1 1 377.368 1.521 20 30 GDEDMM C[C@](C#N)(NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)C1CC1 ZINC000735502615 598720971 /nfs/dbraw/zinc/72/09/71/598720971.db2.gz AKSQZIWYGGRPQT-GOSISDBHSA-N -1 1 397.826 1.643 20 30 GDEDMM N#CCCN(CCC#N)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737685946 598809857 /nfs/dbraw/zinc/80/98/57/598809857.db2.gz GHCZTKDDIUVFKP-UHFFFAOYSA-N -1 1 390.411 1.120 20 30 GDEDMM N#CCCN(CCC#N)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737685946 598809858 /nfs/dbraw/zinc/80/98/58/598809858.db2.gz GHCZTKDDIUVFKP-UHFFFAOYSA-N -1 1 390.411 1.120 20 30 GDEDMM COc1cccc(OCC2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821877424 599334393 /nfs/dbraw/zinc/33/43/93/599334393.db2.gz JNWMDLNRNMJCEJ-UHFFFAOYSA-N -1 1 398.408 1.810 20 30 GDEDMM COc1cccc(OCC2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821877424 599334395 /nfs/dbraw/zinc/33/43/95/599334395.db2.gz JNWMDLNRNMJCEJ-UHFFFAOYSA-N -1 1 398.408 1.810 20 30 GDEDMM N#Cc1[n-]c(NC(=O)Cc2cccc(OC(F)(F)F)c2)nc1-c1nn[nH]n1 ZINC000826382469 607461112 /nfs/dbraw/zinc/46/11/12/607461112.db2.gz GDNBKNJAZSHLPN-UHFFFAOYSA-N -1 1 378.274 1.541 20 30 GDEDMM Cc1oc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c(-c2nn[n-]n2)c1C ZINC000822547956 606146206 /nfs/dbraw/zinc/14/62/06/606146206.db2.gz DFLMFGJMYYLBSG-UHFFFAOYSA-N -1 1 380.364 1.673 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000820788317 606767231 /nfs/dbraw/zinc/76/72/31/606767231.db2.gz DHEGRZVGDSHRHG-GFCCVEGCSA-N -1 1 390.411 1.271 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000820788317 606767233 /nfs/dbraw/zinc/76/72/33/606767233.db2.gz DHEGRZVGDSHRHG-GFCCVEGCSA-N -1 1 390.411 1.271 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000820803524 606808522 /nfs/dbraw/zinc/80/85/22/606808522.db2.gz BNNZTOBJFZMGTE-JTQLQIEISA-N -1 1 382.819 1.292 20 30 GDEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000820803524 606808523 /nfs/dbraw/zinc/80/85/23/606808523.db2.gz BNNZTOBJFZMGTE-JTQLQIEISA-N -1 1 382.819 1.292 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000820803889 606979498 /nfs/dbraw/zinc/97/94/98/606979498.db2.gz JJBRSFLOVVALCO-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000820803889 606979499 /nfs/dbraw/zinc/97/94/99/606979499.db2.gz JJBRSFLOVVALCO-GFCCVEGCSA-N -1 1 379.403 1.378 20 30 GDEDMM CCOc1nc2sccn2c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000825658306 607816372 /nfs/dbraw/zinc/81/63/72/607816372.db2.gz DGOBBAFYNHBRDN-UHFFFAOYSA-N -1 1 384.425 1.635 20 30 GDEDMM C[C@H](C#N)CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000824034038 607831402 /nfs/dbraw/zinc/83/14/02/607831402.db2.gz GHFNMQNJLFNEGJ-CYBMUJFWSA-N -1 1 391.439 1.615 20 30 GDEDMM C[C@H](C#N)CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000824034038 607831403 /nfs/dbraw/zinc/83/14/03/607831403.db2.gz GHFNMQNJLFNEGJ-CYBMUJFWSA-N -1 1 391.439 1.615 20 30 GDEDMM N#Cc1[n-]c(NC(=O)CCSc2ccc3c(c2)OCCO3)nc1-c1nn[nH]n1 ZINC000826382526 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20 30 GDEDMM N#Cc1ccccc1N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822842655 606705510 /nfs/dbraw/zinc/70/55/10/606705510.db2.gz SEXNHXGRUABNKA-UHFFFAOYSA-N -1 1 377.368 1.368 20 30 GDEDMM N#Cc1ccccc1N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822842655 606705512 /nfs/dbraw/zinc/70/55/12/606705512.db2.gz SEXNHXGRUABNKA-UHFFFAOYSA-N -1 1 377.368 1.368 20 30 GDEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCN2C(=O)c3ccccc3C2=O)o1 ZINC000824352603 607887412 /nfs/dbraw/zinc/88/74/12/607887412.db2.gz KACPCCOHIPTUCW-UHFFFAOYSA-N -1 1 380.368 1.672 20 30 GDEDMM Cc1cc(C)n(N=CCCc2ccc3c(c2)OCCO3)c(=O)c1-c1nn[n-]n1 ZINC000826265418 608389308 /nfs/dbraw/zinc/38/93/08/608389308.db2.gz YGJVFGBOUKCCBC-UHFFFAOYSA-N -1 1 380.408 1.883 20 30 GDEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(CC#N)cc1 ZINC000825929227 608548527 /nfs/dbraw/zinc/54/85/27/608548527.db2.gz DCWLFPICKNISNZ-UHFFFAOYSA-N -1 1 380.416 1.335 20 30 GDEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(CC#N)cc1 ZINC000825929227 608548529 /nfs/dbraw/zinc/54/85/29/608548529.db2.gz DCWLFPICKNISNZ-UHFFFAOYSA-N -1 1 380.416 1.335 20 30 GDEDMM N#CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000826380966 609359355 /nfs/dbraw/zinc/35/93/55/609359355.db2.gz SGDSLUAOOAOYIS-UHFFFAOYSA-N -1 1 381.375 1.959 20 30 GDEDMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCC#N)c(OC)c1 ZINC000542243840 650401659 /nfs/dbraw/zinc/40/16/59/650401659.db2.gz WGSFFHDODIEYFS-UHFFFAOYSA-N -1 1 375.472 1.429 20 30 GDEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCNC2=O)cc1Br ZINC000331352249 645505008 /nfs/dbraw/zinc/50/50/08/645505008.db2.gz ZFLPMYKPZLFAPL-SNVBAGLBSA-N -1 1 376.207 1.017 20 30 GDEDMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(F)c1 ZINC000443225400 647190731 /nfs/dbraw/zinc/19/07/31/647190731.db2.gz KJHSPZJKSBPBBU-UHFFFAOYSA-N -1 1 389.474 1.805 20 30 GDEDMM CCOc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1S(=O)(=O)N(C)C ZINC000462079929 647507471 /nfs/dbraw/zinc/50/74/71/647507471.db2.gz HYQPFLIQYXVPAF-LBPRGKRZSA-N -1 1 375.472 1.379 20 30 GDEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)Nc1ccc(C#N)cc1 ZINC000479709858 647834153 /nfs/dbraw/zinc/83/41/53/647834153.db2.gz GSDDNEHCRVNTEC-UHFFFAOYSA-N -1 1 381.439 1.129 20 30 GDEDMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000520018592 648642674 /nfs/dbraw/zinc/64/26/74/648642674.db2.gz ZTUUWHKGIYBRPS-UHFFFAOYSA-N -1 1 385.854 1.921 20 30 GDEDMM O=C(NCC#CCO)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000574176097 651521674 /nfs/dbraw/zinc/52/16/74/651521674.db2.gz RDCARBLLWGANEK-UHFFFAOYSA-N -1 1 378.837 1.866 20 30 GDEDMM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000656375102 654023390 /nfs/dbraw/zinc/02/33/90/654023390.db2.gz ZIXNXMIEZUABMB-UHFFFAOYSA-N -1 1 390.531 1.124 20 30 GDEDMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]C[C@H](C)C#N)c1 ZINC000770252704 654505230 /nfs/dbraw/zinc/50/52/30/654505230.db2.gz OBVRBXBRERYWPK-SSDOTTSWSA-N -1 1 379.207 1.813 20 30 GDEDMM O=c1nc(C=N[O-])ccn1Cc1nc(-c2cc(Br)cs2)no1 ZINC000736301948 654591358 /nfs/dbraw/zinc/59/13/58/654591358.db2.gz DVYKKIYHSJTQSG-UHFFFAOYSA-N -1 1 382.199 1.974 20 30 GDEDMM C#CCN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000754044653 654963860 /nfs/dbraw/zinc/96/38/60/654963860.db2.gz WSKKQHQUAMWQEV-CYBMUJFWSA-N -1 1 377.242 1.830 20 30 GDEDMM N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3c[nH]nc3Cl)CC2)nc1 ZINC000831010580 654966176 /nfs/dbraw/zinc/96/61/76/654966176.db2.gz XNDJZKTXQNDYNX-UHFFFAOYSA-N -1 1 381.845 1.998 20 30 GDEDMM N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000834480509 655069710 /nfs/dbraw/zinc/06/97/10/655069710.db2.gz RDOFDRIIVRKLLG-GMSGAONNSA-N -1 1 389.047 1.759 20 30 GDEDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000793430393 655118479 /nfs/dbraw/zinc/11/84/79/655118479.db2.gz KTCYMQHHBDXIRV-UHFFFAOYSA-N -1 1 384.414 1.374 20 30 GDEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000798488602 655269112 /nfs/dbraw/zinc/26/91/12/655269112.db2.gz UPMJUDVINFQJCE-SNVBAGLBSA-N -1 1 377.216 1.410 20 30 GDEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)OC ZINC000841539807 655341380 /nfs/dbraw/zinc/34/13/80/655341380.db2.gz LISWZKWSQDJHCM-LLVKDONJSA-N -1 1 394.232 1.623 20 30 GDEDMM C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000848959234 655507223 /nfs/dbraw/zinc/50/72/23/655507223.db2.gz BSWNXXDUVTWWCM-NSHDSACASA-N -1 1 394.906 1.431 20 30 GDEDMM C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000848969283 655515841 /nfs/dbraw/zinc/51/58/41/655515841.db2.gz GVWITRUEWVEALC-GFCCVEGCSA-N -1 1 393.918 1.540 20 30 GDEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)OCC ZINC000867588632 656089027 /nfs/dbraw/zinc/08/90/27/656089027.db2.gz GKPVQQHQAXVXSL-GFCCVEGCSA-N -1 1 381.878 1.714 20 30 GDEDMM C#CCN(CC)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000906863973 659603730 /nfs/dbraw/zinc/60/37/30/659603730.db2.gz CVYSRCHFLZCPGJ-UHFFFAOYSA-N -1 1 376.400 1.942 20 30 GDEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571312879 946504842 /nfs/dbraw/zinc/50/48/42/946504842.db2.gz LPWIQMINCMWVGB-RYUDHWBXSA-N -1 1 392.427 1.067 20 30 GDEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571312879 946504852 /nfs/dbraw/zinc/50/48/52/946504852.db2.gz LPWIQMINCMWVGB-RYUDHWBXSA-N -1 1 392.427 1.067 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571313272 946518420 /nfs/dbraw/zinc/51/84/20/946518420.db2.gz PHMKPXMLNRAUEP-QWHCGFSZSA-N -1 1 392.427 1.318 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001571313272 946518426 /nfs/dbraw/zinc/51/84/26/946518426.db2.gz PHMKPXMLNRAUEP-QWHCGFSZSA-N -1 1 392.427 1.318 20 30 GDEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571314015 946539310 /nfs/dbraw/zinc/53/93/10/946539310.db2.gz ZHRWYCBUKOJKOT-WCQYABFASA-N -1 1 392.427 1.176 20 30 GDEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571314015 946539312 /nfs/dbraw/zinc/53/93/12/946539312.db2.gz ZHRWYCBUKOJKOT-WCQYABFASA-N -1 1 392.427 1.176 20 30 GDEDMM C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573281651 946680127 /nfs/dbraw/zinc/68/01/27/946680127.db2.gz AQGYSYLNODQUKM-UHFFFAOYSA-N -1 1 396.455 1.843 20 30 GDEDMM C#CCN(CCOC)c1nnc(C2CCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573281651 946680132 /nfs/dbraw/zinc/68/01/32/946680132.db2.gz AQGYSYLNODQUKM-UHFFFAOYSA-N -1 1 396.455 1.843 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573283493 946717657 /nfs/dbraw/zinc/71/76/57/946717657.db2.gz JCFJHJBFFNSXSF-LJQANCHMSA-N -1 1 380.456 1.279 20 30 GDEDMM C#CCCCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573283493 946717674 /nfs/dbraw/zinc/71/76/74/946717674.db2.gz JCFJHJBFFNSXSF-LJQANCHMSA-N -1 1 380.456 1.279 20 30 GDEDMM C[C@H](NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)c1ccc2c(c1)CCCC2 ZINC000824491608 946741301 /nfs/dbraw/zinc/74/13/01/946741301.db2.gz VRXRBRPHXDQKQT-LBPRGKRZSA-N -1 1 376.424 1.691 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573290644 946909604 /nfs/dbraw/zinc/90/96/04/946909604.db2.gz NMOZOMDVXRXCPB-ZIAGYGMSSA-N -1 1 390.451 1.576 20 30 GDEDMM C#Cc1ccccc1CC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573290644 946909608 /nfs/dbraw/zinc/90/96/08/946909608.db2.gz NMOZOMDVXRXCPB-ZIAGYGMSSA-N -1 1 390.451 1.576 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001573294310 946985664 /nfs/dbraw/zinc/98/56/64/946985664.db2.gz BCEDGVLFPVXMCT-ZFWWWQNUSA-N -1 1 398.471 1.397 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001573294310 946985676 /nfs/dbraw/zinc/98/56/76/946985676.db2.gz BCEDGVLFPVXMCT-ZFWWWQNUSA-N -1 1 398.471 1.397 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@](C)(CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565217 947003657 /nfs/dbraw/zinc/00/36/57/947003657.db2.gz OYPNTTXXGZREEU-RMLUDKJBSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567315 947043481 /nfs/dbraw/zinc/04/34/81/947043481.db2.gz LXUKAFOXDMNHPG-KXUCPTDWSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573567687 947052215 /nfs/dbraw/zinc/05/22/15/947052215.db2.gz QXOIXATXJLBUAL-RKDXNWHRSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573567687 947052223 /nfs/dbraw/zinc/05/22/23/947052223.db2.gz QXOIXATXJLBUAL-RKDXNWHRSA-N -1 1 380.865 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001573568151 947068161 /nfs/dbraw/zinc/06/81/61/947068161.db2.gz YMKSEPFWHBNVGK-PSLIRLAXSA-N -1 1 392.876 1.565 20 30 GDEDMM C=C1CC(C)(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)C1 ZINC001573298570 947077614 /nfs/dbraw/zinc/07/76/14/947077614.db2.gz PUWFKFIUJYADPD-UONOGXRCSA-N -1 1 382.472 1.331 20 30 GDEDMM 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947107738 /nfs/dbraw/zinc/10/77/38/947107738.db2.gz INZPHXFSLVSSMK-OAHLLOKOSA-N -1 1 378.440 1.887 20 30 GDEDMM C=CC(C)(C)C(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573300596 947115724 /nfs/dbraw/zinc/11/57/24/947115724.db2.gz LQQZJRKJYDSMDY-UHFFFAOYSA-N -1 1 384.488 1.934 20 30 GDEDMM C=CC(C)(C)C(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573300596 947115736 /nfs/dbraw/zinc/11/57/36/947115736.db2.gz LQQZJRKJYDSMDY-UHFFFAOYSA-N -1 1 384.488 1.934 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)CC2 ZINC001573574112 947128747 /nfs/dbraw/zinc/12/87/47/947128747.db2.gz QUAJRHWWILZPMN-BDAKNGLRSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)CC2 ZINC001573574112 947128759 /nfs/dbraw/zinc/12/87/59/947128759.db2.gz QUAJRHWWILZPMN-BDAKNGLRSA-N -1 1 392.876 1.611 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573305440 947154785 /nfs/dbraw/zinc/15/47/85/947154785.db2.gz 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C#Cc1ccccc1CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001573289651 946888666 /nfs/dbraw/zinc/88/86/66/946888666.db2.gz AKICTVTUPAEAEW-XJKSGUPXSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573290506 946905978 /nfs/dbraw/zinc/90/59/78/946905978.db2.gz KVISJELDBQBNKD-INIZCTEOSA-N -1 1 390.451 1.496 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573290506 946905981 /nfs/dbraw/zinc/90/59/81/946905981.db2.gz KVISJELDBQBNKD-INIZCTEOSA-N -1 1 390.451 1.496 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573293203 946950733 /nfs/dbraw/zinc/95/07/33/946950733.db2.gz OQAYXCRDGANVBQ-AGUYFDCRSA-N -1 1 382.472 1.875 20 30 GDEDMM C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573293203 946950734 /nfs/dbraw/zinc/95/07/34/946950734.db2.gz OQAYXCRDGANVBQ-AGUYFDCRSA-N -1 1 382.472 1.875 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001573294304 946985911 /nfs/dbraw/zinc/98/59/11/946985911.db2.gz AWEOLZGXAPTCEL-IPYPFGDCSA-N -1 1 386.460 1.335 20 30 GDEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001573294304 946985919 /nfs/dbraw/zinc/98/59/19/946985919.db2.gz AWEOLZGXAPTCEL-IPYPFGDCSA-N -1 1 386.460 1.335 20 30 GDEDMM C[C@H](C#N)C(=O)N1CC[C@@H](CCNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573565527 947009344 /nfs/dbraw/zinc/00/93/44/947009344.db2.gz RPGUKLAWWSOPEM-RKDXNWHRSA-N -1 1 380.865 1.787 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573565716 947012735 /nfs/dbraw/zinc/01/27/35/947012735.db2.gz UXRICCDUBVHVCX-DOMZBBRYSA-N -1 1 381.444 1.024 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565716 947012751 /nfs/dbraw/zinc/01/27/51/947012751.db2.gz UXRICCDUBVHVCX-DOMZBBRYSA-N -1 1 381.444 1.024 20 30 GDEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825038732 947055141 /nfs/dbraw/zinc/05/51/41/947055141.db2.gz HCOKLQVJIDBETB-ZDUSSCGKSA-N -1 1 381.396 1.703 20 30 GDEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825038732 947055152 /nfs/dbraw/zinc/05/51/52/947055152.db2.gz HCOKLQVJIDBETB-ZDUSSCGKSA-N -1 1 381.396 1.703 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567837 947057770 /nfs/dbraw/zinc/05/77/70/947057770.db2.gz UBQXLXQUTBVQTF-DTWKUNHWSA-N -1 1 380.865 1.563 20 30 GDEDMM C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001573298576 947077839 /nfs/dbraw/zinc/07/78/39/947077839.db2.gz QABILPZMBQRQOO-OKILXGFUSA-N -1 1 380.456 1.583 20 30 GDEDMM C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001573298576 947077847 /nfs/dbraw/zinc/07/78/47/947077847.db2.gz QABILPZMBQRQOO-OKILXGFUSA-N -1 1 380.456 1.583 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CCC[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573570025 947081997 /nfs/dbraw/zinc/08/19/97/947081997.db2.gz IEMSIGMCSUTMBD-LPEHRKFASA-N -1 1 392.876 1.563 20 30 GDEDMM C[C@H](C#N)C(=O)NC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001573572860 947117855 /nfs/dbraw/zinc/11/78/55/947117855.db2.gz KLSUEPMDOOQDNN-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@H](C#N)C(=O)NC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001573572860 947117860 /nfs/dbraw/zinc/11/78/60/947117860.db2.gz KLSUEPMDOOQDNN-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C=C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573301370 947137314 /nfs/dbraw/zinc/13/73/14/947137314.db2.gz ZLXACJNXMZKFMB-JKSUJKDBSA-N -1 1 390.451 1.933 20 30 GDEDMM C=C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573301370 947137320 /nfs/dbraw/zinc/13/73/20/947137320.db2.gz ZLXACJNXMZKFMB-JKSUJKDBSA-N -1 1 390.451 1.933 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573575323 947137619 /nfs/dbraw/zinc/13/76/19/947137619.db2.gz WZKJZQBHHHUQCG-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573575323 947137621 /nfs/dbraw/zinc/13/76/21/947137621.db2.gz WZKJZQBHHHUQCG-BDAKNGLRSA-N -1 1 380.865 1.611 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573309237 947193070 /nfs/dbraw/zinc/19/30/70/947193070.db2.gz FPGUNEMHIBWOCB-PXAZEXFGSA-N -1 1 391.501 1.873 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573582618 947193468 /nfs/dbraw/zinc/19/34/68/947193468.db2.gz FQBVODINGVRBBN-RKDXNWHRSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573582618 947193477 /nfs/dbraw/zinc/19/34/77/947193477.db2.gz FQBVODINGVRBBN-RKDXNWHRSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573582756 947196754 /nfs/dbraw/zinc/19/67/54/947196754.db2.gz GYMJWFMJAKYQAL-DZGCQCFKSA-N -1 1 391.439 1.346 20 30 GDEDMM C[C@@H](C#N)C(=O)NCC[C@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573582756 947196760 /nfs/dbraw/zinc/19/67/60/947196760.db2.gz GYMJWFMJAKYQAL-DZGCQCFKSA-N -1 1 391.439 1.346 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573309387 947198712 /nfs/dbraw/zinc/19/87/12/947198712.db2.gz IEQRWAYYEFLDPQ-LXIYXOSZSA-N -1 1 386.460 1.192 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573309387 947198718 /nfs/dbraw/zinc/19/87/18/947198718.db2.gz IEQRWAYYEFLDPQ-LXIYXOSZSA-N -1 1 386.460 1.192 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573309443 947200609 /nfs/dbraw/zinc/20/06/09/947200609.db2.gz IZUYHWVCARTUGY-KJBLDROHSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C[C@@](C)(CCOC)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573309443 947200622 /nfs/dbraw/zinc/20/06/22/947200622.db2.gz IZUYHWVCARTUGY-KJBLDROHSA-N -1 1 386.460 1.287 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309624 947205575 /nfs/dbraw/zinc/20/55/75/947205575.db2.gz LRJNVCWGZPZRMO-FZKQIMNGSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309624 947205584 /nfs/dbraw/zinc/20/55/84/947205584.db2.gz LRJNVCWGZPZRMO-FZKQIMNGSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310598 947224779 /nfs/dbraw/zinc/22/47/79/947224779.db2.gz YHPBLCYWVLGENJ-SCLBCKFNSA-N -1 1 386.460 1.146 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310598 947224789 /nfs/dbraw/zinc/22/47/89/947224789.db2.gz YHPBLCYWVLGENJ-SCLBCKFNSA-N -1 1 386.460 1.146 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573314717 947233869 /nfs/dbraw/zinc/23/38/69/947233869.db2.gz FLBUJOVLFODHSE-SOUVJXGZSA-N -1 1 382.472 1.686 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573314717 947233878 /nfs/dbraw/zinc/23/38/78/947233878.db2.gz FLBUJOVLFODHSE-SOUVJXGZSA-N -1 1 382.472 1.686 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573585273 947252945 /nfs/dbraw/zinc/25/29/45/947252945.db2.gz NBWFRJGJFLUKAC-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@H](C#N)C(=O)NCc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573585273 947252956 /nfs/dbraw/zinc/25/29/56/947252956.db2.gz NBWFRJGJFLUKAC-GFCCVEGCSA-N -1 1 377.412 1.069 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001573585591 947262915 /nfs/dbraw/zinc/26/29/15/947262915.db2.gz SOMYJZPOKWFXEA-CKUKBARFSA-N -1 1 375.396 1.010 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001573585591 947262928 /nfs/dbraw/zinc/26/29/28/947262928.db2.gz SOMYJZPOKWFXEA-CKUKBARFSA-N -1 1 375.396 1.010 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573317760 947300042 /nfs/dbraw/zinc/30/00/42/947300042.db2.gz PGWPDCUGUWLADC-KGLIPLIRSA-N -1 1 378.440 1.933 20 30 GDEDMM C=C[C@@H](CC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573317760 947300057 /nfs/dbraw/zinc/30/00/57/947300057.db2.gz PGWPDCUGUWLADC-KGLIPLIRSA-N -1 1 378.440 1.933 20 30 GDEDMM C=CC[C@@H](C(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318381 947305503 /nfs/dbraw/zinc/30/55/03/947305503.db2.gz AZTPDONNHOUULO-FYCOFBDGSA-N -1 1 390.451 1.523 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001573587341 947307269 /nfs/dbraw/zinc/30/72/69/947307269.db2.gz ZOVMGVULGLKPOZ-UTEYVOQOSA-N -1 1 392.876 1.611 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001573587341 947307281 /nfs/dbraw/zinc/30/72/81/947307281.db2.gz ZOVMGVULGLKPOZ-UTEYVOQOSA-N -1 1 392.876 1.611 20 30 GDEDMM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573320258 947342940 /nfs/dbraw/zinc/34/29/40/947342940.db2.gz VZHLCZPNDXSELC-QGZVFWFLSA-N -1 1 391.501 1.291 20 30 GDEDMM 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/nfs/dbraw/zinc/84/30/40/946843040.db2.gz KDFZXDZGDXVGJY-CYBMUJFWSA-N -1 1 390.451 1.821 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573289628 946889819 /nfs/dbraw/zinc/88/98/19/946889819.db2.gz ABZXYAGWOAVCCY-UHFFFAOYSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccccc1CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573289628 946889832 /nfs/dbraw/zinc/88/98/32/946889832.db2.gz ABZXYAGWOAVCCY-UHFFFAOYSA-N -1 1 388.435 1.282 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573291182 946915036 /nfs/dbraw/zinc/91/50/36/946915036.db2.gz YFTYPZGSUZIDBI-CYBMUJFWSA-N -1 1 390.451 1.353 20 30 GDEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573291182 946915048 /nfs/dbraw/zinc/91/50/48/946915048.db2.gz YFTYPZGSUZIDBI-CYBMUJFWSA-N -1 1 390.451 1.353 20 30 GDEDMM C#Cc1cncc(C(=O)N[C@@H](C)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001573292263 946930552 /nfs/dbraw/zinc/93/05/52/946930552.db2.gz RFISPCLHKFRVOL-QMMMGPOBSA-N -1 1 388.844 1.583 20 30 GDEDMM C#Cc1cncc(C(=O)N[C@@H](C)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001573292263 946930561 /nfs/dbraw/zinc/93/05/61/946930561.db2.gz RFISPCLHKFRVOL-QMMMGPOBSA-N -1 1 388.844 1.583 20 30 GDEDMM C[C@@H](C#N)C(=O)N(CCCNc1ccnc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001573560401 946951182 /nfs/dbraw/zinc/95/11/82/946951182.db2.gz BWHIXBCDEPNQDI-ZDUSSCGKSA-N -1 1 383.460 1.059 20 30 GDEDMM C=C(C)[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)OCC ZINC001573293288 946953611 /nfs/dbraw/zinc/95/36/11/946953611.db2.gz RAQHOFLFMQFPGQ-AWEZNQCLSA-N -1 1 376.486 1.600 20 30 GDEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573564846 946999445 /nfs/dbraw/zinc/99/94/45/946999445.db2.gz LWQIHJOOYOAWGZ-LPEHRKFASA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001573566297 947024313 /nfs/dbraw/zinc/02/43/13/947024313.db2.gz AUEFYMHGPSLWNE-UTLUCORTSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001573566297 947024320 /nfs/dbraw/zinc/02/43/20/947024320.db2.gz AUEFYMHGPSLWNE-UTLUCORTSA-N -1 1 392.876 1.706 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573567189 947038841 /nfs/dbraw/zinc/03/88/41/947038841.db2.gz JPOQAKITLUOPKQ-VFZGTOFNSA-N -1 1 392.876 1.565 20 30 GDEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573567189 947038853 /nfs/dbraw/zinc/03/88/53/947038853.db2.gz JPOQAKITLUOPKQ-VFZGTOFNSA-N -1 1 392.876 1.565 20 30 GDEDMM C=C1CCC(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573296667 947051142 /nfs/dbraw/zinc/05/11/42/947051142.db2.gz VVEVWYVOOIALHM-CQSZACIVSA-N -1 1 382.472 1.476 20 30 GDEDMM C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573567836 947055961 /nfs/dbraw/zinc/05/59/61/947055961.db2.gz UBQXLXQUTBVQTF-BDAKNGLRSA-N -1 1 380.865 1.563 20 30 GDEDMM C=C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573300080 947104273 /nfs/dbraw/zinc/10/42/73/947104273.db2.gz IJFVGPRTXDNZAT-LSDHHAIUSA-N -1 1 376.424 1.321 20 30 GDEDMM C=C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573300080 947104281 /nfs/dbraw/zinc/10/42/81/947104281.db2.gz IJFVGPRTXDNZAT-LSDHHAIUSA-N -1 1 376.424 1.321 20 30 GDEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001573572118 947108401 /nfs/dbraw/zinc/10/84/01/947108401.db2.gz FHKDKIWLFHSJBN-ZBSJOJNVSA-N -1 1 392.876 1.976 20 30 GDEDMM C[C@H](C#N)C(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001573576790 947156329 /nfs/dbraw/zinc/15/63/29/947156329.db2.gz JTNLFSRBISEKRH-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@H](C#N)C(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001573576790 947156336 /nfs/dbraw/zinc/15/63/36/947156336.db2.gz JTNLFSRBISEKRH-MRVPVSSYSA-N -1 1 380.865 1.977 20 30 GDEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573582217 947189852 /nfs/dbraw/zinc/18/98/52/947189852.db2.gz CBSOZOFQABXTRF-IUCAKERBSA-N -1 1 380.865 1.469 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001573583096 947197752 /nfs/dbraw/zinc/19/77/52/947197752.db2.gz JGDXRPTYXMJFBK-IUODEOHRSA-N -1 1 389.423 1.036 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001573583096 947197761 /nfs/dbraw/zinc/19/77/61/947197761.db2.gz JGDXRPTYXMJFBK-IUODEOHRSA-N -1 1 389.423 1.036 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573309459 947200994 /nfs/dbraw/zinc/20/09/94/947200994.db2.gz JDRBXMRTIUEUMB-CYBMUJFWSA-N -1 1 383.865 1.364 20 30 GDEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573309459 947201004 /nfs/dbraw/zinc/20/10/04/947201004.db2.gz JDRBXMRTIUEUMB-CYBMUJFWSA-N -1 1 383.865 1.364 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573314977 947239594 /nfs/dbraw/zinc/23/95/94/947239594.db2.gz IZBFWCGQTKGKPD-ZNMIVQPWSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573314977 947239603 /nfs/dbraw/zinc/23/96/03/947239603.db2.gz IZBFWCGQTKGKPD-ZNMIVQPWSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573315166 947245336 /nfs/dbraw/zinc/24/53/36/947245336.db2.gz JUOZBZDBRJXOFY-KBMXLJTQSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573315166 947245349 /nfs/dbraw/zinc/24/53/49/947245349.db2.gz JUOZBZDBRJXOFY-KBMXLJTQSA-N -1 1 382.472 1.829 20 30 GDEDMM C=C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573315528 947251213 /nfs/dbraw/zinc/25/12/13/947251213.db2.gz CIIDXURNOJSYGJ-GDBMZVCRSA-N -1 1 390.451 1.712 20 30 GDEDMM C=C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573315528 947251228 /nfs/dbraw/zinc/25/12/28/947251228.db2.gz CIIDXURNOJSYGJ-GDBMZVCRSA-N -1 1 390.451 1.712 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573585347 947255342 /nfs/dbraw/zinc/25/53/42/947255342.db2.gz PBTKCRPCPFGTBM-HRDYMLBCSA-N -1 1 380.865 1.833 20 30 GDEDMM C[C@H](C#N)C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573585347 947255350 /nfs/dbraw/zinc/25/53/50/947255350.db2.gz PBTKCRPCPFGTBM-HRDYMLBCSA-N -1 1 380.865 1.833 20 30 GDEDMM C=CC[C@H](C(=O)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573318382 947307354 /nfs/dbraw/zinc/30/73/54/947307354.db2.gz AZTPDONNHOUULO-MOEXGYKKSA-N -1 1 390.451 1.523 20 30 GDEDMM C=CC[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573320008 947340752 /nfs/dbraw/zinc/34/07/52/947340752.db2.gz TVNYRLRQXMJYMH-ZFWWWQNUSA-N -1 1 378.440 1.355 20 30 GDEDMM C=C[C@@H](CC(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573320629 947351236 /nfs/dbraw/zinc/35/12/36/947351236.db2.gz YXRIKUWLNREYOA-HNNXBMFYSA-N -1 1 392.467 1.959 20 30 GDEDMM C=C[C@@H](CC(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573320629 947351239 /nfs/dbraw/zinc/35/12/39/947351239.db2.gz YXRIKUWLNREYOA-HNNXBMFYSA-N -1 1 392.467 1.959 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)CCC1 ZINC001573325662 947361503 /nfs/dbraw/zinc/36/15/03/947361503.db2.gz FSSULCCSDWJXMM-UONOGXRCSA-N -1 1 382.472 1.877 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)CCC1 ZINC001573325662 947361515 /nfs/dbraw/zinc/36/15/15/947361515.db2.gz FSSULCCSDWJXMM-UONOGXRCSA-N -1 1 382.472 1.877 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001573328711 947412103 /nfs/dbraw/zinc/41/21/03/947412103.db2.gz AHPVHYLAZBMBQP-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001573328711 947412110 /nfs/dbraw/zinc/41/21/10/947412110.db2.gz AHPVHYLAZBMBQP-CQSZACIVSA-N -1 1 382.472 1.878 20 30 GDEDMM C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573329355 947418481 /nfs/dbraw/zinc/41/84/81/947418481.db2.gz ICWMPOBIXQHBSE-AWEZNQCLSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCC(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573329355 947418490 /nfs/dbraw/zinc/41/84/90/947418490.db2.gz ICWMPOBIXQHBSE-AWEZNQCLSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001573334811 947465150 /nfs/dbraw/zinc/46/51/50/947465150.db2.gz RZICLNVAHQIRMB-GOEBONIOSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001573334811 947465159 /nfs/dbraw/zinc/46/51/59/947465159.db2.gz RZICLNVAHQIRMB-GOEBONIOSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573337055 947514090 /nfs/dbraw/zinc/51/40/90/947514090.db2.gz TUMKKNWHIKRYGG-KGLIPLIRSA-N -1 1 386.460 1.431 20 30 GDEDMM C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573337055 947514096 /nfs/dbraw/zinc/51/40/96/947514096.db2.gz TUMKKNWHIKRYGG-KGLIPLIRSA-N -1 1 386.460 1.431 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573350448 947597156 /nfs/dbraw/zinc/59/71/56/947597156.db2.gz BOPVBLITHWJZOM-ZJUUUORDSA-N -1 1 397.892 1.510 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573350448 947597165 /nfs/dbraw/zinc/59/71/65/947597165.db2.gz BOPVBLITHWJZOM-ZJUUUORDSA-N -1 1 397.892 1.510 20 30 GDEDMM CC#CCCCC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573358295 947660877 /nfs/dbraw/zinc/66/08/77/947660877.db2.gz IEGQACXKEHFNMT-OAHLLOKOSA-N -1 1 382.472 1.716 20 30 GDEDMM CC#CCCCC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573358295 947660893 /nfs/dbraw/zinc/66/08/93/947660893.db2.gz IEGQACXKEHFNMT-OAHLLOKOSA-N -1 1 382.472 1.716 20 30 GDEDMM CC#CCCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573359016 947676608 /nfs/dbraw/zinc/67/66/08/947676608.db2.gz UIYFEKYIANYDRB-GJZGRUSLSA-N -1 1 382.472 1.856 20 30 GDEDMM 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Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)nn1CCC#N ZINC000826233164 608475784 /nfs/dbraw/zinc/47/57/84/608475784.db2.gz WHPALSCDFUNRBK-UHFFFAOYSA-N -1 1 395.427 1.574 20 30 GDEDMM CC(C)(C)c1ccc(S(=O)(=O)CCn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000824135594 609185651 /nfs/dbraw/zinc/18/56/51/609185651.db2.gz GUWPBKJEFFOYAS-UHFFFAOYSA-N -1 1 385.453 1.706 20 30 GDEDMM N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)c2cccc(Br)c2)o1 ZINC000553479891 650648169 /nfs/dbraw/zinc/64/81/69/650648169.db2.gz RIQOFALEFPFAMX-UHFFFAOYSA-N -1 1 398.238 1.622 20 30 GDEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000916251141 660189614 /nfs/dbraw/zinc/18/96/14/660189614.db2.gz CPRCUJGDTGIMSV-VIFPVBQESA-N -1 1 394.218 1.440 20 30 GDEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(N)(=O)=O ZINC000603972737 652732428 /nfs/dbraw/zinc/73/24/28/652732428.db2.gz GRYLRXKYAANRML-UHFFFAOYSA-N -1 1 385.854 1.968 20 30 GDEDMM CC#CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000649194308 653664116 /nfs/dbraw/zinc/66/41/16/653664116.db2.gz ZIUXIBRKZLZEKI-SNVBAGLBSA-N -1 1 379.265 1.162 20 30 GDEDMM N#Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1[O-] ZINC000785603197 654921994 /nfs/dbraw/zinc/92/19/94/654921994.db2.gz XMWGHDDCVGIEGE-UHFFFAOYSA-N -1 1 377.344 1.308 20 30 GDEDMM CN1CCC(C#N)(NC(=O)c2cccc(I)c2[O-])CC1 ZINC000755290754 654989373 /nfs/dbraw/zinc/98/93/73/654989373.db2.gz VWDLXTZIENMFAO-UHFFFAOYSA-N -1 1 385.205 1.715 20 30 GDEDMM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000831976054 655003800 /nfs/dbraw/zinc/00/38/00/655003800.db2.gz KIJPTFWOGMBHLH-GHMZBOCLSA-N -1 1 384.449 1.603 20 30 GDEDMM Cc1c(Br)c(C)n([N-]C(=O)c2[nH]ncc2[N+](=O)[O-])c(=O)c1C#N ZINC000791173455 655065157 /nfs/dbraw/zinc/06/51/57/655065157.db2.gz SUBHMTLVILUQTK-UHFFFAOYSA-N -1 1 381.146 1.115 20 30 GDEDMM N#C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCN1C1CC1 ZINC000760867058 655128401 /nfs/dbraw/zinc/12/84/01/655128401.db2.gz MSLXOZQREKUNPF-LBPRGKRZSA-N -1 1 397.216 1.809 20 30 GDEDMM C#CCOCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795924242 655196093 /nfs/dbraw/zinc/19/60/93/655196093.db2.gz SDHZIQLHWDAPRE-UHFFFAOYSA-N -1 1 381.179 1.425 20 30 GDEDMM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841517397 655334983 /nfs/dbraw/zinc/33/49/83/655334983.db2.gz RXCNOZVUIOUMNJ-SNVBAGLBSA-N -1 1 377.821 1.708 20 30 GDEDMM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000848961065 655508518 /nfs/dbraw/zinc/50/85/18/655508518.db2.gz SLRCKNZDOUQLTI-UHFFFAOYSA-N -1 1 377.463 1.026 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000848961389 655508871 /nfs/dbraw/zinc/50/88/71/655508871.db2.gz WIWLSOSNPXBVRG-VIFPVBQESA-N -1 1 398.457 1.071 20 30 GDEDMM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC000848961384 655508878 /nfs/dbraw/zinc/50/88/78/655508878.db2.gz WFVHDATZOFHKCX-ZDUSSCGKSA-N -1 1 385.511 1.374 20 30 GDEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000859424697 655783191 /nfs/dbraw/zinc/78/31/91/655783191.db2.gz JDXKFVPITZNNHA-LLVKDONJSA-N -1 1 377.821 1.972 20 30 GDEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000859427087 655783392 /nfs/dbraw/zinc/78/33/92/655783392.db2.gz RGWMTMBPGXKOAY-SNVBAGLBSA-N -1 1 377.216 1.674 20 30 GDEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)OCC ZINC000867589202 656089183 /nfs/dbraw/zinc/08/91/83/656089183.db2.gz NIFQDALNSGOODQ-QMMMGPOBSA-N -1 1 389.783 1.792 20 30 GDEDMM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)OC ZINC000867624756 656095140 /nfs/dbraw/zinc/09/51/40/656095140.db2.gz QVXKPFQGFTVZAD-SNVBAGLBSA-N -1 1 377.365 1.538 20 30 GDEDMM C=C(C)C[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OCC ZINC000882644666 657174950 /nfs/dbraw/zinc/17/49/50/657174950.db2.gz NTIAXSZQUGPQAX-JTQLQIEISA-N -1 1 394.291 1.667 20 30 GDEDMM C#CC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000899110647 658984142 /nfs/dbraw/zinc/98/41/42/658984142.db2.gz OGVVGLIAEHVNTJ-UHFFFAOYSA-N -1 1 391.276 1.258 20 30 GDEDMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1csc(C#N)c1)CCO2 ZINC000908050634 659861593 /nfs/dbraw/zinc/86/15/93/659861593.db2.gz QUULUCJJFDWWQI-HZPDHXFCSA-N -1 1 386.495 1.741 20 30 GDEDMM C=CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000819751343 945280945 /nfs/dbraw/zinc/28/09/45/945280945.db2.gz TWBXFSLCPPOOTN-HNNXBMFYSA-N -1 1 384.396 1.939 20 30 GDEDMM C=CCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000819751343 945280948 /nfs/dbraw/zinc/28/09/48/945280948.db2.gz TWBXFSLCPPOOTN-HNNXBMFYSA-N -1 1 384.396 1.939 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)c1 ZINC001571294855 946145328 /nfs/dbraw/zinc/14/53/28/946145328.db2.gz NTUXXEDVIOGALJ-MRVPVSSYSA-N -1 1 389.832 1.503 20 30 GDEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)c1 ZINC001571294855 946145332 /nfs/dbraw/zinc/14/53/32/946145332.db2.gz NTUXXEDVIOGALJ-MRVPVSSYSA-N -1 1 389.832 1.503 20 30 GDEDMM C#CCC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCCC1 ZINC001573279991 946652664 /nfs/dbraw/zinc/65/26/64/946652664.db2.gz MJVZPILRQMKNPB-CQSZACIVSA-N -1 1 380.456 1.643 20 30 GDEDMM C#CCC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCCC1 ZINC001573279991 946652674 /nfs/dbraw/zinc/65/26/74/946652674.db2.gz MJVZPILRQMKNPB-CQSZACIVSA-N -1 1 380.456 1.643 20 30 GDEDMM C#CCCCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573281732 946678923 /nfs/dbraw/zinc/67/89/23/946678923.db2.gz BDFRNHSOVCGXQD-CABCVRRESA-N -1 1 382.472 1.169 20 30 GDEDMM C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573285552 946783516 /nfs/dbraw/zinc/78/35/16/946783516.db2.gz ZMSSACINCFBKLY-ZYHUDNBSSA-N -1 1 394.361 1.261 20 30 GDEDMM C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573285552 946783521 /nfs/dbraw/zinc/78/35/21/946783521.db2.gz ZMSSACINCFBKLY-ZYHUDNBSSA-N -1 1 394.361 1.261 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)CC(C)C)cn1 ZINC001573286830 946821017 /nfs/dbraw/zinc/82/10/17/946821017.db2.gz BOKXZZXMRBFWFH-OAHLLOKOSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)CC(C)C)cn1 ZINC001573286830 946821030 /nfs/dbraw/zinc/82/10/30/946821030.db2.gz BOKXZZXMRBFWFH-OAHLLOKOSA-N -1 1 391.439 1.290 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001573286875 946821425 /nfs/dbraw/zinc/82/14/25/946821425.db2.gz BVXODXAGMYPJGS-IBGZPJMESA-N -1 1 389.423 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001573286875 946821439 /nfs/dbraw/zinc/82/14/39/946821439.db2.gz BVXODXAGMYPJGS-IBGZPJMESA-N -1 1 389.423 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001573286888 946821852 /nfs/dbraw/zinc/82/18/52/946821852.db2.gz BVXODXAGMYPJGS-LJQANCHMSA-N -1 1 389.423 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001573286888 946821868 /nfs/dbraw/zinc/82/18/68/946821868.db2.gz BVXODXAGMYPJGS-LJQANCHMSA-N -1 1 389.423 1.044 20 30 GDEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001573287269 946832702 /nfs/dbraw/zinc/83/27/02/946832702.db2.gz HBJCCHKVOCZINB-CJNGLKHVSA-N -1 1 388.435 1.165 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573289717 946892212 /nfs/dbraw/zinc/89/22/12/946892212.db2.gz PKWJLGIDPZRHMO-AWEZNQCLSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573289717 946892223 /nfs/dbraw/zinc/89/22/23/946892223.db2.gz PKWJLGIDPZRHMO-AWEZNQCLSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573289920 946895072 /nfs/dbraw/zinc/89/50/72/946895072.db2.gz RJBRSKHDRRBNFH-ZDUSSCGKSA-N -1 1 392.423 1.289 20 30 GDEDMM C#CCOc1ccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573289920 946895082 /nfs/dbraw/zinc/89/50/82/946895082.db2.gz RJBRSKHDRRBNFH-ZDUSSCGKSA-N -1 1 392.423 1.289 20 30 GDEDMM C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573290339 946902348 /nfs/dbraw/zinc/90/23/48/946902348.db2.gz XCNGGEFAGYTOTB-MRXNPFEDSA-N -1 1 388.435 1.379 20 30 GDEDMM C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573290339 946902355 /nfs/dbraw/zinc/90/23/55/946902355.db2.gz XCNGGEFAGYTOTB-MRXNPFEDSA-N -1 1 388.435 1.379 20 30 GDEDMM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001573291595 946922599 /nfs/dbraw/zinc/92/25/99/946922599.db2.gz GFSVWFIYBZNBRJ-MRVPVSSYSA-N -1 1 388.844 1.583 20 30 GDEDMM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001573291595 946922606 /nfs/dbraw/zinc/92/26/06/946922606.db2.gz GFSVWFIYBZNBRJ-MRVPVSSYSA-N -1 1 388.844 1.583 20 30 GDEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001573292408 946934102 /nfs/dbraw/zinc/93/41/02/946934102.db2.gz VPHOQFIPXLDEGL-CYBMUJFWSA-N -1 1 380.437 1.335 20 30 GDEDMM C[C@H](C#N)C(=O)N(C)C1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573560608 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C=C[C@@H](C(=O)N[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573299064 947087725 /nfs/dbraw/zinc/08/77/25/947087725.db2.gz CKPVEPQITMUQEB-UKRRQHHQSA-N -1 1 378.440 1.852 20 30 GDEDMM C=C[C@@H](C(=O)N[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573299064 947087737 /nfs/dbraw/zinc/08/77/37/947087737.db2.gz CKPVEPQITMUQEB-UKRRQHHQSA-N -1 1 378.440 1.852 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)OCC ZINC001573299598 947098008 /nfs/dbraw/zinc/09/80/08/947098008.db2.gz KHSFJMXSFYLSKE-VNHYZAJKSA-N -1 1 386.460 1.111 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)OCC ZINC001573299598 947098022 /nfs/dbraw/zinc/09/80/22/947098022.db2.gz KHSFJMXSFYLSKE-VNHYZAJKSA-N -1 1 386.460 1.111 20 30 GDEDMM C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1)OCC ZINC001573299860 947101513 /nfs/dbraw/zinc/10/15/13/947101513.db2.gz MCUCAGXAZOUGKI-CHWSQXEVSA-N -1 1 391.501 1.698 20 30 GDEDMM C=C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccccc1 ZINC001573300728 947119197 /nfs/dbraw/zinc/11/91/97/947119197.db2.gz MVEWVUVOUDQVPM-BSXFFOKHSA-N -1 1 388.435 1.177 20 30 GDEDMM C=C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccccc1 ZINC001573300728 947119206 /nfs/dbraw/zinc/11/92/06/947119206.db2.gz MVEWVUVOUDQVPM-BSXFFOKHSA-N -1 1 388.435 1.177 20 30 GDEDMM C=C[C@@H](C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001573301304 947134391 /nfs/dbraw/zinc/13/43/91/947134391.db2.gz XOGVJUPPFARTND-OAHLLOKOSA-N -1 1 376.424 1.275 20 30 GDEDMM C=C[C@@H](C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573301304 947134398 /nfs/dbraw/zinc/13/43/98/947134398.db2.gz XOGVJUPPFARTND-OAHLLOKOSA-N -1 1 376.424 1.275 20 30 GDEDMM C=C[C@@H](C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573301361 947136473 /nfs/dbraw/zinc/13/64/73/947136473.db2.gz ZFCGKHKJPZEWSU-UKRRQHHQSA-N -1 1 378.440 1.307 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573304870 947145601 /nfs/dbraw/zinc/14/56/01/947145601.db2.gz IOLOHEKYOJHERV-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573304870 947145612 /nfs/dbraw/zinc/14/56/12/947145612.db2.gz IOLOHEKYOJHERV-CYBMUJFWSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573305159 947150942 /nfs/dbraw/zinc/15/09/42/947150942.db2.gz MSOGSZLVVDOHLT-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573305159 947150950 /nfs/dbraw/zinc/15/09/50/947150950.db2.gz MSOGSZLVVDOHLT-ZDUSSCGKSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573309390 947198245 /nfs/dbraw/zinc/19/82/45/947198245.db2.gz IIAZVXPZTZDTMO-FZKQIMNGSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573309390 947198250 /nfs/dbraw/zinc/19/82/50/947198250.db2.gz IIAZVXPZTZDTMO-FZKQIMNGSA-N -1 1 386.460 1.288 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573310634 947227728 /nfs/dbraw/zinc/22/77/28/947227728.db2.gz YQNIJKISPWPORD-YJYMSZOUSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573310634 947227741 /nfs/dbraw/zinc/22/77/41/947227741.db2.gz YQNIJKISPWPORD-YJYMSZOUSA-N -1 1 384.488 1.980 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573314755 947237570 /nfs/dbraw/zinc/23/75/70/947237570.db2.gz GJYAZDMBKISGJI-ZFWWWQNUSA-N -1 1 382.472 1.734 20 30 GDEDMM C=C[C@@H](CC)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573314755 947237583 /nfs/dbraw/zinc/23/75/83/947237583.db2.gz GJYAZDMBKISGJI-ZFWWWQNUSA-N -1 1 382.472 1.734 20 30 GDEDMM C[C@H](C#N)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573585619 947262202 /nfs/dbraw/zinc/26/22/02/947262202.db2.gz SYLBDUWKQVXBJZ-IWSPIJDZSA-N -1 1 380.865 1.976 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573585688 947266494 /nfs/dbraw/zinc/26/64/94/947266494.db2.gz UWRDFHXDISJNJB-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)NCc1ccc([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573585688 947266504 /nfs/dbraw/zinc/26/65/04/947266504.db2.gz UWRDFHXDISJNJB-RYUDHWBXSA-N -1 1 377.412 1.606 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573586179 947278696 /nfs/dbraw/zinc/27/86/96/947278696.db2.gz LHRKCCONFONGHP-KZVJFYERSA-N -1 1 378.849 1.362 20 30 GDEDMM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573586179 947278709 /nfs/dbraw/zinc/27/87/09/947278709.db2.gz LHRKCCONFONGHP-KZVJFYERSA-N -1 1 378.849 1.362 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573318724 947312701 /nfs/dbraw/zinc/31/27/01/947312701.db2.gz GFLLTDMTPQYYPC-CYBMUJFWSA-N -1 1 384.488 1.906 20 30 GDEDMM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573318724 947312716 /nfs/dbraw/zinc/31/27/16/947312716.db2.gz GFLLTDMTPQYYPC-CYBMUJFWSA-N -1 1 384.488 1.906 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573325407 947355659 /nfs/dbraw/zinc/35/56/59/947355659.db2.gz BIJVUPGFBGWACV-VYDXJSESSA-N -1 1 394.483 1.959 20 30 GDEDMM C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573325407 947355670 /nfs/dbraw/zinc/35/56/70/947355670.db2.gz BIJVUPGFBGWACV-VYDXJSESSA-N -1 1 394.483 1.959 20 30 GDEDMM C=CCC1(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001573326365 947370577 /nfs/dbraw/zinc/37/05/77/947370577.db2.gz OACPTQKDTFLDED-CQSZACIVSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001573334816 947464031 /nfs/dbraw/zinc/46/40/31/947464031.db2.gz RZICLNVAHQIRMB-ZBFHGGJFSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001573334816 947464035 /nfs/dbraw/zinc/46/40/35/947464035.db2.gz RZICLNVAHQIRMB-ZBFHGGJFSA-N -1 1 382.472 1.830 20 30 GDEDMM C=CCCOCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573336112 947502012 /nfs/dbraw/zinc/50/20/12/947502012.db2.gz ITYKTTNDQIRAOF-UHFFFAOYSA-N -1 1 384.444 1.089 20 30 GDEDMM C=CCCOCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573336112 947502021 /nfs/dbraw/zinc/50/20/21/947502021.db2.gz ITYKTTNDQIRAOF-UHFFFAOYSA-N -1 1 384.444 1.089 20 30 GDEDMM COc1ccc([C@H](NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)C(C)C)cc1 ZINC000826188932 947576931 /nfs/dbraw/zinc/57/69/31/947576931.db2.gz JWZCGYKHTQMHDO-MRXNPFEDSA-N -1 1 380.412 1.457 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573351950 947624145 /nfs/dbraw/zinc/62/41/45/947624145.db2.gz YBOJEELBPCCIOR-BMFZPTHFSA-N -1 1 398.471 1.205 20 30 GDEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573351950 947624147 /nfs/dbraw/zinc/62/41/47/947624147.db2.gz YBOJEELBPCCIOR-BMFZPTHFSA-N -1 1 398.471 1.205 20 30 GDEDMM C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(=O)OC)CC(=O)[O-])n[nH]2)c1C ZINC001602730789 971409378 /nfs/dbraw/zinc/40/93/78/971409378.db2.gz BHACZHQPIZOVGO-UHFFFAOYSA-N -1 1 389.412 1.166 20 30 GDEDMM CC#CCCCC(=O)N(C)C1CC(Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573358961 947674343 /nfs/dbraw/zinc/67/43/43/947674343.db2.gz MVLVRQXQKPCYRC-UHFFFAOYSA-N -1 1 382.472 1.814 20 30 GDEDMM CC#CCCCC(=O)N(C)C1CC(Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573358961 947674346 /nfs/dbraw/zinc/67/43/46/947674346.db2.gz MVLVRQXQKPCYRC-UHFFFAOYSA-N -1 1 382.472 1.814 20 30 GDEDMM CC#CCCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573359015 947676580 /nfs/dbraw/zinc/67/65/80/947676580.db2.gz UIYFEKYIANYDRB-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM CC#CCCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573359015 947676585 /nfs/dbraw/zinc/67/65/85/947676585.db2.gz UIYFEKYIANYDRB-CABCVRRESA-N -1 1 382.472 1.856 20 30 GDEDMM CC#CCCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573359268 947683741 /nfs/dbraw/zinc/68/37/41/947683741.db2.gz XRUFKERUYPMDPJ-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM CC#CCCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573359268 947683749 /nfs/dbraw/zinc/68/37/49/947683749.db2.gz XRUFKERUYPMDPJ-CQSZACIVSA-N -1 1 382.472 1.571 20 30 GDEDMM Cc1cc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)n(-c2ccc(F)cc2)n1 ZINC000826269959 947779579 /nfs/dbraw/zinc/77/95/79/947779579.db2.gz DQFOMBLZEXOBAL-UHFFFAOYSA-N -1 1 392.358 1.207 20 30 GDEDMM C[C@H](C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573660253 948020298 /nfs/dbraw/zinc/02/02/98/948020298.db2.gz ZCRJOXVBOLFIEK-KCJUWKMLSA-N -1 1 391.317 1.311 20 30 GDEDMM CC(C)(C)C#CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573793017 949276905 /nfs/dbraw/zinc/27/69/05/949276905.db2.gz 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