smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(c1nonc1N)N([O-])C(=O)c1cc2ncc(Br)cn2n1 ZINC001150785686 849670322 /nfs/dbraw/zinc/67/03/22/849670322.db2.gz GKPQDSRVQGYGFA-UHFFFAOYSA-N -1 1 367.123 0.314 20 30 FCEDMM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1ccc2cncn2c1 ZINC001152208883 849707633 /nfs/dbraw/zinc/70/76/33/849707633.db2.gz FPDNGDZBTYMEPZ-LBPRGKRZSA-N -1 1 374.359 0.491 20 30 FCEDMM CCN1CC[C@@H]([N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1=O ZINC001172044356 850704624 /nfs/dbraw/zinc/70/46/24/850704624.db2.gz UQBNSIZLJMEODQ-PWSUYJOCSA-N -1 1 355.397 0.013 20 30 FCEDMM CCN1CC[C@@H]([N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1=O ZINC001172044356 850704628 /nfs/dbraw/zinc/70/46/28/850704628.db2.gz UQBNSIZLJMEODQ-PWSUYJOCSA-N -1 1 355.397 0.013 20 30 FCEDMM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])C(=N)c1nonc1N ZINC001181231573 851096467 /nfs/dbraw/zinc/09/64/67/851096467.db2.gz ZNFOUOJUARSSQL-QMMMGPOBSA-N -1 1 356.383 0.992 20 30 FCEDMM N#CC(Cc1ccc(O)cc1)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001183614099 851253699 /nfs/dbraw/zinc/25/36/99/851253699.db2.gz XGHZUXCCTXESMS-SNVBAGLBSA-N -1 1 357.413 0.746 20 30 FCEDMM CC(C)(C)OC(=O)N[C@H](CC(=O)N([O-])C(=N)c1nonc1N)C1CC1 ZINC001183680437 851263572 /nfs/dbraw/zinc/26/35/72/851263572.db2.gz ZOOXRRUIXVSOJC-MRVPVSSYSA-N -1 1 354.367 0.888 20 30 FCEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001193009031 852336552 /nfs/dbraw/zinc/33/65/52/852336552.db2.gz REXYNJMOOXSQCI-QWRGUYRKSA-N -1 1 361.420 0.228 20 30 FCEDMM COC(=O)[C@]1([N-]S(=O)(=O)[C@H](C)C#N)CCN(Cc2ccccc2)C1 ZINC001193170124 852378893 /nfs/dbraw/zinc/37/88/93/852378893.db2.gz FCQJGDVNWMAVCO-CJNGLKHVSA-N -1 1 351.428 0.636 20 30 FCEDMM N#CC1(NC(=O)C23CC(NC(=O)c4c[nH]c(=S)[n-]c4=O)(C2)C3)CCC1 ZINC001278525135 862358959 /nfs/dbraw/zinc/35/89/59/862358959.db2.gz VFPBPVYYKRFXCO-UHFFFAOYSA-N -1 1 359.411 0.686 20 30 FCEDMM COC(=O)[C@H](CS)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201706300 853540927 /nfs/dbraw/zinc/54/09/27/853540927.db2.gz CQIIWGPDMSHLRH-ZJUUUORDSA-N -1 1 368.477 0.387 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001208129577 853898967 /nfs/dbraw/zinc/89/89/67/853898967.db2.gz XNRFRSLYYOPUOI-PBFPGSCMSA-N -1 1 351.451 0.274 20 30 FCEDMM COc1ncc(Nc2nc(C#N)c(C#N)nc2N)cc1[N-]S(C)(=O)=O ZINC001216152519 855175092 /nfs/dbraw/zinc/17/50/92/855175092.db2.gz UYNYKTPGZNVFQS-UHFFFAOYSA-N -1 1 360.359 0.321 20 30 FCEDMM N#C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)C(N)=O ZINC001260494116 858376038 /nfs/dbraw/zinc/37/60/38/858376038.db2.gz NXOPBJIMOXBKNK-SCSAIBSYSA-N -1 1 358.626 0.820 20 30 FCEDMM C#CCOc1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC001309509423 866821701 /nfs/dbraw/zinc/82/17/01/866821701.db2.gz JFNKWIGBRSEUSS-UHFFFAOYSA-N -1 1 350.356 0.819 20 30 FCEDMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC001309781420 866891417 /nfs/dbraw/zinc/89/14/17/866891417.db2.gz AQATZCVSLGKJEU-LBPRGKRZSA-N -1 1 360.432 0.684 20 30 FCEDMM O=S1(=O)[N-]/C(=N/C[C@H](N2CCOCC2)C(F)(F)F)c2ccccc21 ZINC001322559491 868859688 /nfs/dbraw/zinc/85/96/88/868859688.db2.gz NTCNKJGRMQOHPV-LBPRGKRZSA-N -1 1 363.361 0.988 20 30 FCEDMM CC1(NS(=O)(=O)CCCCS(=O)(=O)[N-]c2cc(C#N)ccn2)CC1 ZINC001346576832 871913476 /nfs/dbraw/zinc/91/34/76/871913476.db2.gz GVOVOACSXLRCPC-UHFFFAOYSA-N -1 1 372.472 0.947 20 30 FCEDMM CSc1[n-]c(=O)c(C(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1C#N ZINC001332709434 873625364 /nfs/dbraw/zinc/62/53/64/873625364.db2.gz CTJGPBYKMPMYCY-UHFFFAOYSA-N -1 1 359.415 0.457 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573282835 946700620 /nfs/dbraw/zinc/70/06/20/946700620.db2.gz BIMDNBZWVIHLSV-AWEZNQCLSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001573285678 946785755 /nfs/dbraw/zinc/78/57/55/946785755.db2.gz KZDJUXWVIACMHQ-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001573285678 946785763 /nfs/dbraw/zinc/78/57/63/946785763.db2.gz KZDJUXWVIACMHQ-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286084 946793995 /nfs/dbraw/zinc/79/39/95/946793995.db2.gz TUHOXSIVEHTSPQ-GFCCVEGCSA-N -1 1 358.406 0.264 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286084 946794000 /nfs/dbraw/zinc/79/40/00/946794000.db2.gz TUHOXSIVEHTSPQ-GFCCVEGCSA-N -1 1 358.406 0.264 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573286599 946811901 /nfs/dbraw/zinc/81/19/01/946811901.db2.gz FYRDGPOPEMDJQI-GFCCVEGCSA-N -1 1 370.417 0.028 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573286809 946822003 /nfs/dbraw/zinc/82/20/03/946822003.db2.gz BJADOSTVDIRQFM-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573287756 946846334 /nfs/dbraw/zinc/84/63/34/946846334.db2.gz FHKGRSNYTNPKJJ-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573287756 946846350 /nfs/dbraw/zinc/84/63/50/946846350.db2.gz FHKGRSNYTNPKJJ-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573287810 946848984 /nfs/dbraw/zinc/84/89/84/946848984.db2.gz FQQBQCUDERXKFC-OAHLLOKOSA-N -1 1 374.408 0.989 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573287810 946849001 /nfs/dbraw/zinc/84/90/01/946849001.db2.gz FQQBQCUDERXKFC-OAHLLOKOSA-N -1 1 374.408 0.989 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573287947 946853298 /nfs/dbraw/zinc/85/32/98/946853298.db2.gz MHVAGRHGZIAEKM-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573287947 946853311 /nfs/dbraw/zinc/85/33/11/946853311.db2.gz MHVAGRHGZIAEKM-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288046 946856580 /nfs/dbraw/zinc/85/65/80/946856580.db2.gz RWWRLKICFIUKLS-GFCCVEGCSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288046 946856589 /nfs/dbraw/zinc/85/65/89/946856589.db2.gz RWWRLKICFIUKLS-GFCCVEGCSA-N -1 1 372.433 0.200 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001573292802 946940342 /nfs/dbraw/zinc/94/03/42/946940342.db2.gz COGGHCDRHRLUED-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001573292802 946940348 /nfs/dbraw/zinc/94/03/48/946940348.db2.gz COGGHCDRHRLUED-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)OCC ZINC001573292989 946944231 /nfs/dbraw/zinc/94/42/31/946944231.db2.gz IJAHHYKGSVFSBD-ZDUSSCGKSA-N -1 1 360.422 0.580 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)OCC ZINC001573292989 946944238 /nfs/dbraw/zinc/94/42/38/946944238.db2.gz IJAHHYKGSVFSBD-ZDUSSCGKSA-N -1 1 360.422 0.580 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573293383 946956618 /nfs/dbraw/zinc/95/66/18/946956618.db2.gz UVCGAMFPKVZPDU-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573293383 946956626 /nfs/dbraw/zinc/95/66/26/946956626.db2.gz UVCGAMFPKVZPDU-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573562682 946976722 /nfs/dbraw/zinc/97/67/22/946976722.db2.gz WBMHSBFGURUCBV-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573562682 946976725 /nfs/dbraw/zinc/97/67/25/946976725.db2.gz WBMHSBFGURUCBV-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000824937793 946998454 /nfs/dbraw/zinc/99/84/54/946998454.db2.gz RGUUJXGVKMTWPJ-VHSXEESVSA-N -1 1 357.378 0.339 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573566954 947036081 /nfs/dbraw/zinc/03/60/81/947036081.db2.gz IISWRYXFCBYULL-WOPDTQHZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573566954 947036094 /nfs/dbraw/zinc/03/60/94/947036094.db2.gz IISWRYXFCBYULL-WOPDTQHZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573567237 947042266 /nfs/dbraw/zinc/04/22/66/947042266.db2.gz KQJANFGNYAKLBS-NWDGAFQWSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573567237 947042281 /nfs/dbraw/zinc/04/22/81/947042281.db2.gz KQJANFGNYAKLBS-NWDGAFQWSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573567349 947043121 /nfs/dbraw/zinc/04/31/21/947043121.db2.gz MBJXMKFLYHMJLJ-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573567349 947043133 /nfs/dbraw/zinc/04/31/33/947043133.db2.gz MBJXMKFLYHMJLJ-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296739 947054726 /nfs/dbraw/zinc/05/47/26/947054726.db2.gz ZDMNHQTVTRVFKJ-ZDUSSCGKSA-N -1 1 372.433 0.056 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568076 947065376 /nfs/dbraw/zinc/06/53/76/947065376.db2.gz XGRLFADREFUQHV-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568076 947065387 /nfs/dbraw/zinc/06/53/87/947065387.db2.gz XGRLFADREFUQHV-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573298184 947071271 /nfs/dbraw/zinc/07/12/71/947071271.db2.gz NKMVXCMDYVDNFW-KRWDZBQOSA-N -1 1 370.417 0.070 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573298184 947071285 /nfs/dbraw/zinc/07/12/85/947071285.db2.gz NKMVXCMDYVDNFW-KRWDZBQOSA-N -1 1 370.417 0.070 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573570882 947096579 /nfs/dbraw/zinc/09/65/79/947096579.db2.gz WFAIELJWVWMWSV-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573570882 947096592 /nfs/dbraw/zinc/09/65/92/947096592.db2.gz WFAIELJWVWMWSV-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573573125 947119310 /nfs/dbraw/zinc/11/93/10/947119310.db2.gz MQKYHQGKRQMIPN-YPMHNXCESA-N -1 1 369.433 0.715 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573575353 947136240 /nfs/dbraw/zinc/13/62/40/947136240.db2.gz XQDKXFZQXZVANS-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573575353 947136251 /nfs/dbraw/zinc/13/62/51/947136251.db2.gz XQDKXFZQXZVANS-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573575349 947137407 /nfs/dbraw/zinc/13/74/07/947137407.db2.gz XNIIOJQDGAEXAB-PWSUYJOCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573575349 947137412 /nfs/dbraw/zinc/13/74/12/947137412.db2.gz XNIIOJQDGAEXAB-PWSUYJOCSA-N -1 1 353.390 0.291 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573304506 947137574 /nfs/dbraw/zinc/13/75/74/947137574.db2.gz ABTGKZKUMXEIDN-LBPRGKRZSA-N -1 1 356.434 0.941 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573575370 947139428 /nfs/dbraw/zinc/13/94/28/947139428.db2.gz XZESUEBTNBTFSP-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573576278 947149635 /nfs/dbraw/zinc/14/96/35/947149635.db2.gz GHZVZXQYQKDKGT-RNFRBKRXSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573576278 947149637 /nfs/dbraw/zinc/14/96/37/947149637.db2.gz GHZVZXQYQKDKGT-RNFRBKRXSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573577100 947162396 /nfs/dbraw/zinc/16/23/96/947162396.db2.gz MBKREQHJCZKQAS-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573577100 947162403 /nfs/dbraw/zinc/16/24/03/947162403.db2.gz MBKREQHJCZKQAS-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573577454 947167912 /nfs/dbraw/zinc/16/79/12/947167912.db2.gz PSIVZFFOSSUHNG-BQBZGAKWSA-N -1 1 352.811 0.831 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573306556 947171375 /nfs/dbraw/zinc/17/13/75/947171375.db2.gz LEQAKMUQTOFPNF-BZNIZROVSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573306556 947171382 /nfs/dbraw/zinc/17/13/82/947171382.db2.gz LEQAKMUQTOFPNF-BZNIZROVSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573306551 947172139 /nfs/dbraw/zinc/17/21/39/947172139.db2.gz LEQAKMUQTOFPNF-BDJLRTHQSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573306551 947172148 /nfs/dbraw/zinc/17/21/48/947172148.db2.gz LEQAKMUQTOFPNF-BDJLRTHQSA-N -1 1 360.422 0.456 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573577901 947176819 /nfs/dbraw/zinc/17/68/19/947176819.db2.gz UXCPTOAUTVSCIW-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573577901 947176826 /nfs/dbraw/zinc/17/68/26/947176826.db2.gz UXCPTOAUTVSCIW-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573308954 947186926 /nfs/dbraw/zinc/18/69/26/947186926.db2.gz AANGVADCVDVBRO-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573308954 947186934 /nfs/dbraw/zinc/18/69/34/947186934.db2.gz AANGVADCVDVBRO-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573309176 947191126 /nfs/dbraw/zinc/19/11/26/947191126.db2.gz DLHOSTBGSPPADE-SJCJKPOMSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573309176 947191130 /nfs/dbraw/zinc/19/11/30/947191130.db2.gz DLHOSTBGSPPADE-SJCJKPOMSA-N -1 1 374.449 0.927 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573583026 947197407 /nfs/dbraw/zinc/19/74/07/947197407.db2.gz IHMUAFCSICRTRF-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573583026 947197415 /nfs/dbraw/zinc/19/74/15/947197415.db2.gz IHMUAFCSICRTRF-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573309358 947198981 /nfs/dbraw/zinc/19/89/81/947198981.db2.gz HLQUMKCJODXNKA-MGPLVRAMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573309358 947198988 /nfs/dbraw/zinc/19/89/88/947198988.db2.gz HLQUMKCJODXNKA-MGPLVRAMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001573309647 947206506 /nfs/dbraw/zinc/20/65/06/947206506.db2.gz MFIIZCXQPNRZOO-KRWDZBQOSA-N -1 1 374.449 0.705 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001573309647 947206515 /nfs/dbraw/zinc/20/65/15/947206515.db2.gz MFIIZCXQPNRZOO-KRWDZBQOSA-N -1 1 374.449 0.705 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309596 947206773 /nfs/dbraw/zinc/20/67/73/947206773.db2.gz LJRQEYZHLKMPBU-PIGZYNQJSA-N -1 1 372.433 0.559 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 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N=C(c1nonc1N)N([O-])C(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC001157268988 1223071898 /nfs/dbraw/zinc/07/18/98/1223071898.db2.gz GNTSMHPNNLSIAV-UHFFFAOYSA-N -1 1 355.314 0.276 20 30 FCEDMM C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)nn1 ZINC000988064169 1249321699 /nfs/dbraw/zinc/32/16/99/1249321699.db2.gz LJMRITJUNQFVTJ-NEPJUHHUSA-N -1 1 356.386 0.598 20 30 FCEDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC000998602372 1251921824 /nfs/dbraw/zinc/92/18/24/1251921824.db2.gz DCHUKBOLKTYBRX-WOPDTQHZSA-N -1 1 372.381 0.172 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(Cc3nc(=O)n(C)[n-]3)C2)CC1 ZINC001035801150 1254066157 /nfs/dbraw/zinc/06/61/57/1254066157.db2.gz VSHMKLYXBUZYOV-KGLIPLIRSA-N -1 1 361.446 0.124 20 30 FCEDMM N#Cc1ccc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)c(F)c1 ZINC001083423373 1257454711 /nfs/dbraw/zinc/45/47/11/1257454711.db2.gz RZUOFTQKGKNEAI-ZBFHGGJFSA-N -1 1 356.357 0.773 20 30 FCEDMM N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4n[nH]c(=O)[n-]c4=O)[C@@H]3C2)cc1 ZINC001084487649 1258132219 /nfs/dbraw/zinc/13/22/19/1258132219.db2.gz STSFUAHGFDJYCF-ZIAGYGMSSA-N -1 1 366.381 0.501 20 30 FCEDMM Cc1nc(C(N)=O)c(O[C@@H]2C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2)c(=O)[n-]1 ZINC001234469267 1259561185 /nfs/dbraw/zinc/56/11/85/1259561185.db2.gz GKPIKLVEGPMNPO-VHSXEESVSA-N -1 1 363.374 0.870 20 30 FCEDMM Cc1[nH]nc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1C#N ZINC001261860720 1260199328 /nfs/dbraw/zinc/19/93/28/1260199328.db2.gz FQUGCEAZUGDXBP-UHFFFAOYSA-N -1 1 371.401 0.802 20 30 FCEDMM Cn1c(=O)[n-]c(NC[C@H]2CSCCN2Cc2ccccc2)c(C#N)c1=O ZINC001337143231 1260321638 /nfs/dbraw/zinc/32/16/38/1260321638.db2.gz RAOZWVDWSAMRFA-AWEZNQCLSA-N -1 1 371.466 0.975 20 30 FCEDMM Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CN(C(=O)Cc2nn[n-]n2)C3)c1 ZINC001272974826 1260546637 /nfs/dbraw/zinc/54/66/37/1260546637.db2.gz DSDGCGCUGCGZTF-SJKOYZFVSA-N -1 1 351.370 0.410 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580363405 1278168944 /nfs/dbraw/zinc/16/89/44/1278168944.db2.gz PVVWRMWLXVRFQE-BXKDBHETSA-N -1 1 364.373 0.111 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580363405 1278168950 /nfs/dbraw/zinc/16/89/50/1278168950.db2.gz PVVWRMWLXVRFQE-BXKDBHETSA-N -1 1 364.373 0.111 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC001321816516 1264071161 /nfs/dbraw/zinc/07/11/61/1264071161.db2.gz JMKFIERFWOCGJO-NSHDSACASA-N -1 1 373.390 0.893 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2nnn[n-]2)n1C[C@@H]1CCCCO1 ZINC001526415729 1266807686 /nfs/dbraw/zinc/80/76/86/1266807686.db2.gz LNXPPGBFWPSHNQ-AWEZNQCLSA-N -1 1 354.418 0.414 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2nn[n-]n2)n1C[C@@H]1CCCCO1 ZINC001526415729 1266807694 /nfs/dbraw/zinc/80/76/94/1266807694.db2.gz LNXPPGBFWPSHNQ-AWEZNQCLSA-N -1 1 354.418 0.414 20 30 FCEDMM Cn1c(Cc2nnn[n-]2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001526397032 1266808403 /nfs/dbraw/zinc/80/84/03/1266808403.db2.gz DHMXXOSIFIOUIZ-UHFFFAOYSA-N -1 1 368.380 0.256 20 30 FCEDMM Cn1c(Cc2nn[n-]n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001526397032 1266808419 /nfs/dbraw/zinc/80/84/19/1266808419.db2.gz DHMXXOSIFIOUIZ-UHFFFAOYSA-N -1 1 368.380 0.256 20 30 FCEDMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1nn(C)cc1C#N ZINC001531731634 1267147142 /nfs/dbraw/zinc/14/71/42/1267147142.db2.gz WVBKWEUWUAVYSY-UHFFFAOYSA-N -1 1 371.401 0.504 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](C)N1CC(F)(F)F ZINC001580447433 1278308385 /nfs/dbraw/zinc/30/83/85/1278308385.db2.gz YXCADNSQPBJDAC-DTORHVGOSA-N -1 1 367.339 0.990 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](C)N1CC(F)(F)F ZINC001580447433 1278308395 /nfs/dbraw/zinc/30/83/95/1278308395.db2.gz YXCADNSQPBJDAC-DTORHVGOSA-N -1 1 367.339 0.990 20 30 FCEDMM O=C(COc1ccccc1C=Nn1c(=O)cn[n-]c1=S)N1CCCC1 ZINC001339128042 1268172568 /nfs/dbraw/zinc/17/25/68/1268172568.db2.gz OGOPBFSBBCOHIM-UHFFFAOYSA-N -1 1 359.411 0.810 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2C#N)c(=O)n1C ZINC001580522747 1278445475 /nfs/dbraw/zinc/44/54/75/1278445475.db2.gz VBYPHFWUHJKSBV-UHFFFAOYSA-N -1 1 357.761 0.609 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573943043 1270949227 /nfs/dbraw/zinc/94/92/27/1270949227.db2.gz TXKTYWFJBUFEIS-ZDUSSCGKSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573943043 1270949229 /nfs/dbraw/zinc/94/92/29/1270949229.db2.gz TXKTYWFJBUFEIS-ZDUSSCGKSA-N -1 1 366.429 0.791 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580637625 1278600601 /nfs/dbraw/zinc/60/06/01/1278600601.db2.gz WWVGQUSTSKDXMS-ZYHUDNBSSA-N -1 1 355.406 0.410 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580637625 1278600610 /nfs/dbraw/zinc/60/06/10/1278600610.db2.gz WWVGQUSTSKDXMS-ZYHUDNBSSA-N -1 1 355.406 0.410 20 30 FCEDMM C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574635841 1271434221 /nfs/dbraw/zinc/43/42/21/1271434221.db2.gz LPPFZZUABGIWGS-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574635841 1271434223 /nfs/dbraw/zinc/43/42/23/1271434223.db2.gz LPPFZZUABGIWGS-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580652827 1278638141 /nfs/dbraw/zinc/63/81/41/1278638141.db2.gz NSBLNRCAUCOOMN-JQWIXIFHSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580652827 1278638155 /nfs/dbraw/zinc/63/81/55/1278638155.db2.gz NSBLNRCAUCOOMN-JQWIXIFHSA-N -1 1 355.406 0.457 20 30 FCEDMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574796071 1271533717 /nfs/dbraw/zinc/53/37/17/1271533717.db2.gz LPKUSPLSTDLVJH-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574796071 1271533724 /nfs/dbraw/zinc/53/37/24/1271533724.db2.gz LPKUSPLSTDLVJH-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575315430 1271915284 /nfs/dbraw/zinc/91/52/84/1271915284.db2.gz UPGDGHLGVYGOAK-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575315430 1271915289 /nfs/dbraw/zinc/91/52/89/1271915289.db2.gz UPGDGHLGVYGOAK-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001575315428 1271916976 /nfs/dbraw/zinc/91/69/76/1271916976.db2.gz UPGDGHLGVYGOAK-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001575315428 1271916983 /nfs/dbraw/zinc/91/69/83/1271916983.db2.gz UPGDGHLGVYGOAK-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001575692382 1272305452 /nfs/dbraw/zinc/30/54/52/1272305452.db2.gz DTKOJWISYIAXHF-LBPRGKRZSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001575692382 1272305461 /nfs/dbraw/zinc/30/54/61/1272305461.db2.gz DTKOJWISYIAXHF-LBPRGKRZSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059489 1272797750 /nfs/dbraw/zinc/79/77/50/1272797750.db2.gz ONRLWDUFQLXZPT-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059489 1272797755 /nfs/dbraw/zinc/79/77/55/1272797755.db2.gz ONRLWDUFQLXZPT-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576296748 1273110508 /nfs/dbraw/zinc/11/05/08/1273110508.db2.gz IPBULWJQDNPQFA-JOYOIKCWSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576296748 1273110510 /nfs/dbraw/zinc/11/05/10/1273110510.db2.gz IPBULWJQDNPQFA-JOYOIKCWSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576311121 1273125899 /nfs/dbraw/zinc/12/58/99/1273125899.db2.gz CDRBMDNRLNXBIX-SKDRFNHKSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576311121 1273125901 /nfs/dbraw/zinc/12/59/01/1273125901.db2.gz CDRBMDNRLNXBIX-SKDRFNHKSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576313480 1273128683 /nfs/dbraw/zinc/12/86/83/1273128683.db2.gz PLHOQARZUMXPRB-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576313480 1273128685 /nfs/dbraw/zinc/12/86/85/1273128685.db2.gz PLHOQARZUMXPRB-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@](C)(NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001580715349 1278781320 /nfs/dbraw/zinc/78/13/20/1278781320.db2.gz BFWVENLLLORRLD-XXFAHNHDSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@](C)(NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001580715349 1278781324 /nfs/dbraw/zinc/78/13/24/1278781324.db2.gz BFWVENLLLORRLD-XXFAHNHDSA-N -1 1 355.406 0.822 20 30 FCEDMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577123102 1274177755 /nfs/dbraw/zinc/17/77/55/1274177755.db2.gz WPIIOOFQNOUEEC-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577123102 1274177758 /nfs/dbraw/zinc/17/77/58/1274177758.db2.gz WPIIOOFQNOUEEC-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580758268 1278875074 /nfs/dbraw/zinc/87/50/74/1278875074.db2.gz HULAUGNWJIUTSA-PHIMTYICSA-N -1 1 364.373 0.538 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580758268 1278875083 /nfs/dbraw/zinc/87/50/83/1278875083.db2.gz HULAUGNWJIUTSA-PHIMTYICSA-N -1 1 364.373 0.538 20 30 FCEDMM CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001577628975 1274612980 /nfs/dbraw/zinc/61/29/80/1274612980.db2.gz DQMYIVVPYUYAQK-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001577628975 1274612986 /nfs/dbraw/zinc/61/29/86/1274612986.db2.gz DQMYIVVPYUYAQK-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577783477 1274878681 /nfs/dbraw/zinc/87/86/81/1274878681.db2.gz KWWKJGLEGKMRSN-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577783477 1274878689 /nfs/dbraw/zinc/87/86/89/1274878689.db2.gz KWWKJGLEGKMRSN-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001578075173 1275377836 /nfs/dbraw/zinc/37/78/36/1275377836.db2.gz RIHBQDRCQIVSEL-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001578075173 1275377851 /nfs/dbraw/zinc/37/78/51/1275377851.db2.gz RIHBQDRCQIVSEL-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001578380737 1275758808 /nfs/dbraw/zinc/75/88/08/1275758808.db2.gz ZVTYVPYRCKURKP-IJLUTSLNSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001578380737 1275758812 /nfs/dbraw/zinc/75/88/12/1275758812.db2.gz ZVTYVPYRCKURKP-IJLUTSLNSA-N -1 1 371.405 0.092 20 30 FCEDMM CCc1n[nH]c(=O)c(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1CC ZINC001578560013 1275987852 /nfs/dbraw/zinc/98/78/52/1275987852.db2.gz OXBXDBGVAFUORA-UHFFFAOYSA-N -1 1 352.362 0.761 20 30 FCEDMM CCc1n[nH]c(=O)c(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1CC ZINC001578560013 1275987856 /nfs/dbraw/zinc/98/78/56/1275987856.db2.gz OXBXDBGVAFUORA-UHFFFAOYSA-N -1 1 352.362 0.761 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578668027 1276119330 /nfs/dbraw/zinc/11/93/30/1276119330.db2.gz JZABTAMSTBQUSL-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578668027 1276119335 /nfs/dbraw/zinc/11/93/35/1276119335.db2.gz JZABTAMSTBQUSL-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578669724 1276122009 /nfs/dbraw/zinc/12/20/09/1276122009.db2.gz VMKGPMCXZBCIOO-GMTAPVOTSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578669724 1276122014 /nfs/dbraw/zinc/12/20/14/1276122014.db2.gz VMKGPMCXZBCIOO-GMTAPVOTSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578911378 1276451114 /nfs/dbraw/zinc/45/11/14/1276451114.db2.gz AIUSLJDUCQPVBR-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578911378 1276451115 /nfs/dbraw/zinc/45/11/15/1276451115.db2.gz AIUSLJDUCQPVBR-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(C#N)CC2(CC2)C1 ZINC001579127977 1276809430 /nfs/dbraw/zinc/80/94/30/1276809430.db2.gz BSUQMDNPKMELFD-UHFFFAOYSA-N -1 1 355.406 0.647 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(C#N)CC2(CC2)C1 ZINC001579127977 1276809445 /nfs/dbraw/zinc/80/94/45/1276809445.db2.gz BSUQMDNPKMELFD-UHFFFAOYSA-N -1 1 355.406 0.647 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nnn[n-]2)c(C#N)n1)C(=O)OC(C)(C)C ZINC001579150183 1276887232 /nfs/dbraw/zinc/88/72/32/1276887232.db2.gz VGLCQKICPGLLDR-UHFFFAOYSA-N -1 1 359.394 0.831 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nn[n-]n2)c(C#N)n1)C(=O)OC(C)(C)C ZINC001579150183 1276887254 /nfs/dbraw/zinc/88/72/54/1276887254.db2.gz VGLCQKICPGLLDR-UHFFFAOYSA-N -1 1 359.394 0.831 20 30 FCEDMM CN(Cc1ccc2c(c1)OCCO2)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579253039 1277050474 /nfs/dbraw/zinc/05/04/74/1277050474.db2.gz DSGNHWUQZMDEAR-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CN(Cc1ccc2c(c1)OCCO2)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579253039 1277050478 /nfs/dbraw/zinc/05/04/78/1277050478.db2.gz DSGNHWUQZMDEAR-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CN1C(=O)C[C@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc21 ZINC001579298988 1277125938 /nfs/dbraw/zinc/12/59/38/1277125938.db2.gz UHXVSZSWZOTABJ-VIFPVBQESA-N -1 1 363.341 0.550 20 30 FCEDMM CNC(=O)COc1ccc(Oc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001579398019 1277281891 /nfs/dbraw/zinc/28/18/91/1277281891.db2.gz DTJZTMHAWGYWAA-UHFFFAOYSA-N -1 1 352.314 0.445 20 30 FCEDMM COC(=O)[C@@]1(C(F)(F)F)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001579438709 1277314955 /nfs/dbraw/zinc/31/49/55/1277314955.db2.gz NQFUXXRNGVWCGH-GFCCVEGCSA-N -1 1 368.279 0.460 20 30 FCEDMM COc1ccc2c(c1)CN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CCO2 ZINC001580050328 1277998945 /nfs/dbraw/zinc/99/89/45/1277998945.db2.gz QJWXEBRSLGHCRL-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001603188665 1287325045 /nfs/dbraw/zinc/32/50/45/1287325045.db2.gz BDDHNZZHGIMFOT-ZIAGYGMSSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001603188665 1287325051 /nfs/dbraw/zinc/32/50/51/1287325051.db2.gz BDDHNZZHGIMFOT-ZIAGYGMSSA-N -1 1 366.429 0.886 20 30 FCEDMM Cc1cc(C)nc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)n1 ZINC001580913110 1279117171 /nfs/dbraw/zinc/11/71/71/1279117171.db2.gz FGGYFBGVJZIHKP-UHFFFAOYSA-N -1 1 363.389 0.262 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001603189700 1287327028 /nfs/dbraw/zinc/32/70/28/1287327028.db2.gz QRXCMDRLQWCLBG-GOSISDBHSA-N -1 1 366.429 0.745 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001603189700 1287327031 /nfs/dbraw/zinc/32/70/31/1287327031.db2.gz QRXCMDRLQWCLBG-GOSISDBHSA-N -1 1 366.429 0.745 20 30 FCEDMM Cc1cc(N2CCC(Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)n[nH]1 ZINC001580960433 1279163621 /nfs/dbraw/zinc/16/36/21/1279163621.db2.gz GWZDOOOJROPAOA-UHFFFAOYSA-N -1 1 351.378 0.641 20 30 FCEDMM Cc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)n(CCC#N)n1 ZINC001580984151 1279182563 /nfs/dbraw/zinc/18/25/63/1279182563.db2.gz UHPMKBDVWNKULT-UHFFFAOYSA-N -1 1 353.346 0.947 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603220008 1287335408 /nfs/dbraw/zinc/33/54/08/1287335408.db2.gz XSLUYWYCYDNSTB-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603220008 1287335410 /nfs/dbraw/zinc/33/54/10/1287335410.db2.gz XSLUYWYCYDNSTB-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM Cc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C#N)c1 ZINC001581213534 1279510455 /nfs/dbraw/zinc/51/04/55/1279510455.db2.gz XJWWOJJQFRABQU-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C#N)c1 ZINC001581213534 1279510460 /nfs/dbraw/zinc/51/04/60/1279510460.db2.gz XJWWOJJQFRABQU-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)Nc3c[nH]nc3C#N)CC2)o1 ZINC001581411088 1279876569 /nfs/dbraw/zinc/87/65/69/1279876569.db2.gz KEVAVGSDVIHPDV-UHFFFAOYSA-N -1 1 368.361 0.613 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001603541238 1287414864 /nfs/dbraw/zinc/41/48/64/1287414864.db2.gz NXONONMHOOUYBF-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001603541238 1287414868 /nfs/dbraw/zinc/41/48/68/1287414868.db2.gz NXONONMHOOUYBF-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM Cn1nccc1[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001581837904 1280591900 /nfs/dbraw/zinc/59/19/00/1280591900.db2.gz DXYODIGKSFYYIM-BXKDBHETSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1nccc1[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001581837904 1280591904 /nfs/dbraw/zinc/59/19/04/1280591904.db2.gz DXYODIGKSFYYIM-BXKDBHETSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CC2(CC2)C1 ZINC001581857304 1280609649 /nfs/dbraw/zinc/60/96/49/1280609649.db2.gz XFGQIKCZWLEHEE-UHFFFAOYSA-N -1 1 369.389 0.449 20 30 FCEDMM N#CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CC2(CC2)C1 ZINC001581857304 1280609656 /nfs/dbraw/zinc/60/96/56/1280609656.db2.gz XFGQIKCZWLEHEE-UHFFFAOYSA-N -1 1 369.389 0.449 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(Cn3ccnn3)cc2)nc1-c1nn[nH]n1 ZINC001581860632 1280612999 /nfs/dbraw/zinc/61/29/99/1280612999.db2.gz KXYPWDLVLFNHSC-UHFFFAOYSA-N -1 1 361.329 0.354 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2COC[C@H]2c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860311 1280613329 /nfs/dbraw/zinc/61/33/29/1280613329.db2.gz UUGSIOKUZYHXJM-QWRGUYRKSA-N -1 1 350.342 0.830 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581860226 1280613590 /nfs/dbraw/zinc/61/35/90/1280613590.db2.gz PVHCMCPHOVBMGV-LBPRGKRZSA-N -1 1 363.385 0.922 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581860226 1280613599 /nfs/dbraw/zinc/61/35/99/1280613599.db2.gz PVHCMCPHOVBMGV-LBPRGKRZSA-N -1 1 363.385 0.922 20 30 FCEDMM N#Cc1c(NC(=O)c2coc(-c3nnn[n-]3)c2)[nH]nc1N1CCOCC1 ZINC001581861070 1280613713 /nfs/dbraw/zinc/61/37/13/1280613713.db2.gz ICLSLCTUZBDBGX-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1c(NC(=O)c2coc(-c3nn[n-]n3)c2)[nH]nc1N1CCOCC1 ZINC001581861070 1280613718 /nfs/dbraw/zinc/61/37/18/1280613718.db2.gz ICLSLCTUZBDBGX-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)nc1-c1nn[nH]n1 ZINC001581860615 1280614195 /nfs/dbraw/zinc/61/41/95/1280614195.db2.gz JWAZYEVINGMTQJ-UHFFFAOYSA-N -1 1 365.235 0.833 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864640 1280618346 /nfs/dbraw/zinc/61/83/46/1280618346.db2.gz GHWUIUSFAUOAJX-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864640 1280618359 /nfs/dbraw/zinc/61/83/59/1280618359.db2.gz GHWUIUSFAUOAJX-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c[nH]1 ZINC001581865174 1280619055 /nfs/dbraw/zinc/61/90/55/1280619055.db2.gz DSCKMNRNIGKUJO-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c[nH]1 ZINC001581865174 1280619059 /nfs/dbraw/zinc/61/90/59/1280619059.db2.gz DSCKMNRNIGKUJO-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864865 1280619424 /nfs/dbraw/zinc/61/94/24/1280619424.db2.gz RVLGGEMVMAVOOX-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864865 1280619426 /nfs/dbraw/zinc/61/94/26/1280619426.db2.gz RVLGGEMVMAVOOX-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)[nH]1 ZINC001581867663 1280622727 /nfs/dbraw/zinc/62/27/27/1280622727.db2.gz QEYXRRKWWIGISO-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)[nH]1 ZINC001581867663 1280622731 /nfs/dbraw/zinc/62/27/31/1280622731.db2.gz QEYXRRKWWIGISO-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581867584 1280623399 /nfs/dbraw/zinc/62/33/99/1280623399.db2.gz NXVDRJLFARHHTG-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581867584 1280623408 /nfs/dbraw/zinc/62/34/08/1280623408.db2.gz NXVDRJLFARHHTG-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)[nH]1 ZINC001581867330 1280623653 /nfs/dbraw/zinc/62/36/53/1280623653.db2.gz DHBHKJXUAJIERA-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)[nH]1 ZINC001581867330 1280623664 /nfs/dbraw/zinc/62/36/64/1280623664.db2.gz DHBHKJXUAJIERA-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581868148 1280625549 /nfs/dbraw/zinc/62/55/49/1280625549.db2.gz KOLVESHDWSPWJD-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581868148 1280625558 /nfs/dbraw/zinc/62/55/58/1280625558.db2.gz KOLVESHDWSPWJD-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)[nH]1 ZINC001581867919 1280625999 /nfs/dbraw/zinc/62/59/99/1280625999.db2.gz BLUJHMZELFWQRN-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)[nH]1 ZINC001581867919 1280626007 /nfs/dbraw/zinc/62/60/07/1280626007.db2.gz BLUJHMZELFWQRN-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)o1 ZINC001581873817 1280630678 /nfs/dbraw/zinc/63/06/78/1280630678.db2.gz RBRVYULVKOPERH-GFCCVEGCSA-N -1 1 356.367 0.777 20 30 FCEDMM N#Cc1nc(N2CC(=O)N(CCC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581878311 1280634528 /nfs/dbraw/zinc/63/45/28/1280634528.db2.gz FULKTLMVBIQOFN-UHFFFAOYSA-N -1 1 353.268 0.087 20 30 FCEDMM N#Cc1nc(N2CC(=O)N(CCC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581878311 1280634532 /nfs/dbraw/zinc/63/45/32/1280634532.db2.gz FULKTLMVBIQOFN-UHFFFAOYSA-N -1 1 353.268 0.087 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ncccc3F)C2)cnc1-c1nnn[n-]1 ZINC001581880178 1280636536 /nfs/dbraw/zinc/63/65/36/1280636536.db2.gz BXYHENJHRJQJIO-VIFPVBQESA-N -1 1 352.337 0.753 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ncccc3F)C2)cnc1-c1nn[n-]n1 ZINC001581880178 1280636539 /nfs/dbraw/zinc/63/65/39/1280636539.db2.gz BXYHENJHRJQJIO-VIFPVBQESA-N -1 1 352.337 0.753 20 30 FCEDMM N#Cc1nc(NC[C@H](CO)Cc2ccc(F)cc2)cnc1-c1nnn[n-]1 ZINC001581880328 1280638024 /nfs/dbraw/zinc/63/80/24/1280638024.db2.gz HBVISLDDYWZYBY-LLVKDONJSA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1nc(NC[C@H](CO)Cc2ccc(F)cc2)cnc1-c1nn[n-]n1 ZINC001581880328 1280638036 /nfs/dbraw/zinc/63/80/36/1280638036.db2.gz HBVISLDDYWZYBY-LLVKDONJSA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)cnc1-c1nnn[n-]1 ZINC001581880671 1280640679 /nfs/dbraw/zinc/64/06/79/1280640679.db2.gz RPESHMBPBVFBEG-SSDOTTSWSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)cnc1-c1nn[n-]n1 ZINC001581880671 1280640690 /nfs/dbraw/zinc/64/06/90/1280640690.db2.gz RPESHMBPBVFBEG-SSDOTTSWSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1ncc(N2CCO[C@H](COc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581882682 1280643345 /nfs/dbraw/zinc/64/33/45/1280643345.db2.gz FRDHPPSZXZIKRQ-ZDUSSCGKSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCCc3c2cnn3CCO)nc1-c1nn[n-]n1 ZINC001581883417 1280648226 /nfs/dbraw/zinc/64/82/26/1280648226.db2.gz ZBNGEIFCPWRRQL-SNVBAGLBSA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1ncc(NCCC(=O)NCc2ccccn2)nc1-c1nn[n-]n1 ZINC001581884320 1280651121 /nfs/dbraw/zinc/65/11/21/1280651121.db2.gz UXYMWGWQNRKFNB-UHFFFAOYSA-N -1 1 350.346 0.042 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001581912752 1280715750 /nfs/dbraw/zinc/71/57/50/1280715750.db2.gz XEALLUQSDQJNCU-CQSZACIVSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001581912752 1280715754 /nfs/dbraw/zinc/71/57/54/1280715754.db2.gz XEALLUQSDQJNCU-CQSZACIVSA-N -1 1 364.413 0.545 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328478 1282420187 /nfs/dbraw/zinc/42/01/87/1282420187.db2.gz IBMJQSQEQVTVAT-JTQLQIEISA-N -1 1 353.429 0.635 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C(C)C ZINC001588328774 1282421569 /nfs/dbraw/zinc/42/15/69/1282421569.db2.gz QCPOWNVDDUICNW-NSHDSACASA-N -1 1 350.360 0.711 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C(C)C ZINC001588328774 1282421571 /nfs/dbraw/zinc/42/15/71/1282421571.db2.gz QCPOWNVDDUICNW-NSHDSACASA-N -1 1 350.360 0.711 20 30 FCEDMM C#C[C@@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2CCOC)C1 ZINC001588332588 1282425452 /nfs/dbraw/zinc/42/54/52/1282425452.db2.gz NIZFEICGNPGQTQ-LLVKDONJSA-N -1 1 368.405 0.344 20 30 FCEDMM C#CCC1(O)CCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001588335486 1282427940 /nfs/dbraw/zinc/42/79/40/1282427940.db2.gz OHZGINVUZOHGPX-UHFFFAOYSA-N -1 1 357.374 0.652 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588340004 1282434141 /nfs/dbraw/zinc/43/41/41/1282434141.db2.gz BXTQTCDURCZCQN-CYBMUJFWSA-N -1 1 368.445 0.965 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588340004 1282434145 /nfs/dbraw/zinc/43/41/45/1282434145.db2.gz BXTQTCDURCZCQN-CYBMUJFWSA-N -1 1 368.445 0.965 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588342186 1282437683 /nfs/dbraw/zinc/43/76/83/1282437683.db2.gz HHGDDTUELALMOG-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588342542 1282437852 /nfs/dbraw/zinc/43/78/52/1282437852.db2.gz BKBRQXDWFYFXEH-CYBMUJFWSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001588344328 1282440393 /nfs/dbraw/zinc/44/03/93/1282440393.db2.gz MBEITVURHSSQFC-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001588344328 1282440396 /nfs/dbraw/zinc/44/03/96/1282440396.db2.gz MBEITVURHSSQFC-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588347149 1282441897 /nfs/dbraw/zinc/44/18/97/1282441897.db2.gz JHNNYCZADKLMKX-ZDUSSCGKSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355156 1282454122 /nfs/dbraw/zinc/45/41/22/1282454122.db2.gz DHUPXFAYZNXJAK-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355156 1282454126 /nfs/dbraw/zinc/45/41/26/1282454126.db2.gz DHUPXFAYZNXJAK-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588355781 1282455164 /nfs/dbraw/zinc/45/51/64/1282455164.db2.gz MNUBBCZNYOOYLI-NWDGAFQWSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588355781 1282455169 /nfs/dbraw/zinc/45/51/69/1282455169.db2.gz MNUBBCZNYOOYLI-NWDGAFQWSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588356526 1282460330 /nfs/dbraw/zinc/46/03/30/1282460330.db2.gz CYXPPCFVOMXDGZ-LLVKDONJSA-N -1 1 370.417 0.318 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001588356526 1282460332 /nfs/dbraw/zinc/46/03/32/1282460332.db2.gz CYXPPCFVOMXDGZ-LLVKDONJSA-N -1 1 370.417 0.318 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588358424 1282468608 /nfs/dbraw/zinc/46/86/08/1282468608.db2.gz XAPYPLYWHXPVNS-JQWIXIFHSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588358424 1282468615 /nfs/dbraw/zinc/46/86/15/1282468615.db2.gz XAPYPLYWHXPVNS-JQWIXIFHSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358322 1282468864 /nfs/dbraw/zinc/46/88/64/1282468864.db2.gz QRHNIKBLJMGEAH-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358322 1282468868 /nfs/dbraw/zinc/46/88/68/1282468868.db2.gz QRHNIKBLJMGEAH-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588359222 1282472504 /nfs/dbraw/zinc/47/25/04/1282472504.db2.gz ZPRGKFJGRIKOET-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588359222 1282472507 /nfs/dbraw/zinc/47/25/07/1282472507.db2.gz ZPRGKFJGRIKOET-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588359402 1282474441 /nfs/dbraw/zinc/47/44/41/1282474441.db2.gz NLPQLEIZOCDTJM-ZDUSSCGKSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588359402 1282474445 /nfs/dbraw/zinc/47/44/45/1282474445.db2.gz NLPQLEIZOCDTJM-ZDUSSCGKSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588359401 1282474915 /nfs/dbraw/zinc/47/49/15/1282474915.db2.gz NLPQLEIZOCDTJM-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588359401 1282474925 /nfs/dbraw/zinc/47/49/25/1282474925.db2.gz NLPQLEIZOCDTJM-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588359822 1282476161 /nfs/dbraw/zinc/47/61/61/1282476161.db2.gz CMYUJFHSSQWBSL-FRRDWIJNSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588360042 1282476331 /nfs/dbraw/zinc/47/63/31/1282476331.db2.gz GNKLGXWDIPQNNZ-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588360042 1282476338 /nfs/dbraw/zinc/47/63/38/1282476338.db2.gz GNKLGXWDIPQNNZ-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361450 1282482618 /nfs/dbraw/zinc/48/26/18/1282482618.db2.gz NIGSWQLZPSSYMJ-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361450 1282482623 /nfs/dbraw/zinc/48/26/23/1282482623.db2.gz NIGSWQLZPSSYMJ-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361844 1282485390 /nfs/dbraw/zinc/48/53/90/1282485390.db2.gz UAOAMXFOKBYSGG-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588361520 1282485807 /nfs/dbraw/zinc/48/58/07/1282485807.db2.gz OVHRZAZZFNPWPX-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588364432 1282491091 /nfs/dbraw/zinc/49/10/91/1282491091.db2.gz FGLKZPQYLUZFFR-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588364432 1282491100 /nfs/dbraw/zinc/49/11/00/1282491100.db2.gz FGLKZPQYLUZFFR-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364384 1282492012 /nfs/dbraw/zinc/49/20/12/1282492012.db2.gz CMNYZCKHHTXUKY-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364384 1282492024 /nfs/dbraw/zinc/49/20/24/1282492024.db2.gz CMNYZCKHHTXUKY-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001588371319 1282493827 /nfs/dbraw/zinc/49/38/27/1282493827.db2.gz CQKGYFLVAMXFEP-UHFFFAOYSA-N -1 1 362.397 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001588371319 1282493831 /nfs/dbraw/zinc/49/38/31/1282493831.db2.gz CQKGYFLVAMXFEP-UHFFFAOYSA-N -1 1 362.397 0.894 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588377569 1282494762 /nfs/dbraw/zinc/49/47/62/1282494762.db2.gz ZWYJDZMAESJTCF-UHFFFAOYSA-N -1 1 362.397 0.221 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001588381257 1282498182 /nfs/dbraw/zinc/49/81/82/1282498182.db2.gz WHVBSDFKAFPPHW-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588391122 1282498376 /nfs/dbraw/zinc/49/83/76/1282498376.db2.gz FUNHDPYLKXDJPB-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588391122 1282498379 /nfs/dbraw/zinc/49/83/79/1282498379.db2.gz FUNHDPYLKXDJPB-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588411964 1282502381 /nfs/dbraw/zinc/50/23/81/1282502381.db2.gz NRAXQFDFLMMACY-GFCCVEGCSA-N -1 1 358.406 0.074 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588417742 1282503978 /nfs/dbraw/zinc/50/39/78/1282503978.db2.gz DPHWMELXJLMFJO-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588417742 1282503989 /nfs/dbraw/zinc/50/39/89/1282503989.db2.gz DPHWMELXJLMFJO-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588455985 1282510041 /nfs/dbraw/zinc/51/00/41/1282510041.db2.gz FTRKGJBSQOCBPX-CYBMUJFWSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588455985 1282510050 /nfs/dbraw/zinc/51/00/50/1282510050.db2.gz FTRKGJBSQOCBPX-CYBMUJFWSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588476337 1282515842 /nfs/dbraw/zinc/51/58/42/1282515842.db2.gz VDVSMUBSCDTOOO-AAEUAGOBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588476337 1282515855 /nfs/dbraw/zinc/51/58/55/1282515855.db2.gz VDVSMUBSCDTOOO-AAEUAGOBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588480623 1282517688 /nfs/dbraw/zinc/51/76/88/1282517688.db2.gz AXKJZNVHILSCGR-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588480623 1282517702 /nfs/dbraw/zinc/51/77/02/1282517702.db2.gz AXKJZNVHILSCGR-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588485353 1282519177 /nfs/dbraw/zinc/51/91/77/1282519177.db2.gz YURMBJXLNUDKOA-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588485353 1282519184 /nfs/dbraw/zinc/51/91/84/1282519184.db2.gz YURMBJXLNUDKOA-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588488221 1282521224 /nfs/dbraw/zinc/52/12/24/1282521224.db2.gz GADNQSRKYRLPEW-SJKOYZFVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588488221 1282521233 /nfs/dbraw/zinc/52/12/33/1282521233.db2.gz GADNQSRKYRLPEW-SJKOYZFVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588483256 1282521333 /nfs/dbraw/zinc/52/13/33/1282521333.db2.gz DCXVROXQQLPDER-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588483256 1282521343 /nfs/dbraw/zinc/52/13/43/1282521343.db2.gz DCXVROXQQLPDER-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588497012 1282525271 /nfs/dbraw/zinc/52/52/71/1282525271.db2.gz XHCUYJAJJQICSU-BZNIZROVSA-N -1 1 360.422 0.224 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588495699 1282526042 /nfs/dbraw/zinc/52/60/42/1282526042.db2.gz IERJRBZNXLJIEQ-INIZCTEOSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588495699 1282526045 /nfs/dbraw/zinc/52/60/45/1282526045.db2.gz IERJRBZNXLJIEQ-INIZCTEOSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588496080 1282527448 /nfs/dbraw/zinc/52/74/48/1282527448.db2.gz MHUQKKJZOZLXGG-MRXNPFEDSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588496080 1282527456 /nfs/dbraw/zinc/52/74/56/1282527456.db2.gz MHUQKKJZOZLXGG-MRXNPFEDSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498915 1282529601 /nfs/dbraw/zinc/52/96/01/1282529601.db2.gz FFHIPHRGDCCBBZ-PXAZEXFGSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498915 1282529609 /nfs/dbraw/zinc/52/96/09/1282529609.db2.gz FFHIPHRGDCCBBZ-PXAZEXFGSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588501208 1282535717 /nfs/dbraw/zinc/53/57/17/1282535717.db2.gz LEWGVQBBLFJBSB-APPDUMDISA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588503035 1282539555 /nfs/dbraw/zinc/53/95/55/1282539555.db2.gz WKIYMWQUXXXNNF-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588503035 1282539563 /nfs/dbraw/zinc/53/95/63/1282539563.db2.gz WKIYMWQUXXXNNF-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588503506 1282540226 /nfs/dbraw/zinc/54/02/26/1282540226.db2.gz ZILNGGZVOHHQKV-GLKRBJQHSA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588503506 1282540236 /nfs/dbraw/zinc/54/02/36/1282540236.db2.gz ZILNGGZVOHHQKV-GLKRBJQHSA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588503037 1282541641 /nfs/dbraw/zinc/54/16/41/1282541641.db2.gz WKIYMWQUXXXNNF-MEDUHNTESA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588503037 1282541652 /nfs/dbraw/zinc/54/16/52/1282541652.db2.gz WKIYMWQUXXXNNF-MEDUHNTESA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588503873 1282543763 /nfs/dbraw/zinc/54/37/63/1282543763.db2.gz HDFOSARXUNFDFS-QGZVFWFLSA-N -1 1 374.449 0.625 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588503873 1282543772 /nfs/dbraw/zinc/54/37/72/1282543772.db2.gz HDFOSARXUNFDFS-QGZVFWFLSA-N -1 1 374.449 0.625 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588504917 1282545791 /nfs/dbraw/zinc/54/57/91/1282545791.db2.gz MVIJDQBTQSJSGR-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588504917 1282545801 /nfs/dbraw/zinc/54/58/01/1282545801.db2.gz MVIJDQBTQSJSGR-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588505720 1282547632 /nfs/dbraw/zinc/54/76/32/1282547632.db2.gz VVJLCOUWNNTRJX-OAHLLOKOSA-N -1 1 358.406 0.435 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588505720 1282547640 /nfs/dbraw/zinc/54/76/40/1282547640.db2.gz VVJLCOUWNNTRJX-OAHLLOKOSA-N -1 1 358.406 0.435 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588505799 1282548652 /nfs/dbraw/zinc/54/86/52/1282548652.db2.gz XQCWUFKDDCTKRX-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588505799 1282548659 /nfs/dbraw/zinc/54/86/59/1282548659.db2.gz XQCWUFKDDCTKRX-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001588507066 1282548805 /nfs/dbraw/zinc/54/88/05/1282548805.db2.gz APKNOXALUVPPIQ-XSLLRJJBSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588505797 1282548913 /nfs/dbraw/zinc/54/89/13/1282548913.db2.gz XQCWUFKDDCTKRX-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588505797 1282548922 /nfs/dbraw/zinc/54/89/22/1282548922.db2.gz XQCWUFKDDCTKRX-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588509197 1282550283 /nfs/dbraw/zinc/55/02/83/1282550283.db2.gz UXWYVMHCGLRHGM-BWACUDIHSA-N -1 1 372.433 0.376 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588509197 1282550290 /nfs/dbraw/zinc/55/02/90/1282550290.db2.gz UXWYVMHCGLRHGM-BWACUDIHSA-N -1 1 372.433 0.376 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588521759 1282557118 /nfs/dbraw/zinc/55/71/18/1282557118.db2.gz SJJPHXZBTIYXFI-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588521759 1282557124 /nfs/dbraw/zinc/55/71/24/1282557124.db2.gz SJJPHXZBTIYXFI-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588532712 1282560890 /nfs/dbraw/zinc/56/08/90/1282560890.db2.gz CRPQQZJGTBBNAL-LBPRGKRZSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588537968 1282563291 /nfs/dbraw/zinc/56/32/91/1282563291.db2.gz FBXNCIWYLUIYQI-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588537968 1282563300 /nfs/dbraw/zinc/56/33/00/1282563300.db2.gz FBXNCIWYLUIYQI-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001588553246 1282566275 /nfs/dbraw/zinc/56/62/75/1282566275.db2.gz KLIAPYAJZWVGJC-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001588553246 1282566288 /nfs/dbraw/zinc/56/62/88/1282566288.db2.gz KLIAPYAJZWVGJC-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588552209 1282567027 /nfs/dbraw/zinc/56/70/27/1282567027.db2.gz RXCNJNSNZKMPGG-LBPRGKRZSA-N -1 1 372.433 0.368 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588554256 1282567630 /nfs/dbraw/zinc/56/76/30/1282567630.db2.gz ZNAQPFZCOGNXJE-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588554256 1282567638 /nfs/dbraw/zinc/56/76/38/1282567638.db2.gz ZNAQPFZCOGNXJE-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588572035 1282570820 /nfs/dbraw/zinc/57/08/20/1282570820.db2.gz WOOYGTQDMIZXTC-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588572035 1282570824 /nfs/dbraw/zinc/57/08/24/1282570824.db2.gz WOOYGTQDMIZXTC-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NC[C@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588587336 1282574646 /nfs/dbraw/zinc/57/46/46/1282574646.db2.gz UVKLHJITOKLDHY-SNVBAGLBSA-N -1 1 351.436 0.877 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001588586682 1282575382 /nfs/dbraw/zinc/57/53/82/1282575382.db2.gz KXFMLECTJRXXQO-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001588586682 1282575393 /nfs/dbraw/zinc/57/53/93/1282575393.db2.gz KXFMLECTJRXXQO-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588587323 1282575836 /nfs/dbraw/zinc/57/58/36/1282575836.db2.gz URSFKNRDQNPQEA-WCQYABFASA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588587323 1282575841 /nfs/dbraw/zinc/57/58/41/1282575841.db2.gz URSFKNRDQNPQEA-WCQYABFASA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCCCN(C)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588594561 1282578588 /nfs/dbraw/zinc/57/85/88/1282578588.db2.gz WGZLEZTYVDOUNC-UHFFFAOYSA-N -1 1 361.406 0.724 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588609470 1282586129 /nfs/dbraw/zinc/58/61/29/1282586129.db2.gz XIBWXSYMVMTCEN-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588609470 1282586138 /nfs/dbraw/zinc/58/61/38/1282586138.db2.gz XIBWXSYMVMTCEN-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588610595 1282590214 /nfs/dbraw/zinc/59/02/14/1282590214.db2.gz INZWHWWVPQZZKP-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588610595 1282590223 /nfs/dbraw/zinc/59/02/23/1282590223.db2.gz INZWHWWVPQZZKP-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588611814 1282591783 /nfs/dbraw/zinc/59/17/83/1282591783.db2.gz XMQPIOAIDSTSHD-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588611814 1282591795 /nfs/dbraw/zinc/59/17/95/1282591795.db2.gz XMQPIOAIDSTSHD-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616243 1282596876 /nfs/dbraw/zinc/59/68/76/1282596876.db2.gz BMBWDZSJUDQBQR-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616243 1282596888 /nfs/dbraw/zinc/59/68/88/1282596888.db2.gz BMBWDZSJUDQBQR-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588616331 1282597226 /nfs/dbraw/zinc/59/72/26/1282597226.db2.gz DEXQRPYIMDIAKR-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588616331 1282597229 /nfs/dbraw/zinc/59/72/29/1282597229.db2.gz DEXQRPYIMDIAKR-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588617673 1282598175 /nfs/dbraw/zinc/59/81/75/1282598175.db2.gz XNYIHKVLSCTJAW-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588666162 1282618469 /nfs/dbraw/zinc/61/84/69/1282618469.db2.gz BGBWFNXSVKKFEC-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588666162 1282618484 /nfs/dbraw/zinc/61/84/84/1282618484.db2.gz BGBWFNXSVKKFEC-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCO[C@@H]1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)C1 ZINC001588665857 1282620795 /nfs/dbraw/zinc/62/07/95/1282620795.db2.gz RSFYRZYVSJJHMM-SNVBAGLBSA-N -1 1 354.378 0.234 20 30 FCEDMM C=CCO[C@@H]1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)C1 ZINC001588665857 1282620813 /nfs/dbraw/zinc/62/08/13/1282620813.db2.gz RSFYRZYVSJJHMM-SNVBAGLBSA-N -1 1 354.378 0.234 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588674558 1282629720 /nfs/dbraw/zinc/62/97/20/1282629720.db2.gz PRMGQGTTYMCWEG-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588674558 1282629731 /nfs/dbraw/zinc/62/97/31/1282629731.db2.gz PRMGQGTTYMCWEG-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588674507 1282632215 /nfs/dbraw/zinc/63/22/15/1282632215.db2.gz OYNTVKPDGZNSEX-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001588674135 1282632700 /nfs/dbraw/zinc/63/27/00/1282632700.db2.gz JLKKMGFGFSCWHE-YHWZYXNKSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001588674135 1282632715 /nfs/dbraw/zinc/63/27/15/1282632715.db2.gz JLKKMGFGFSCWHE-YHWZYXNKSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001588676444 1282633416 /nfs/dbraw/zinc/63/34/16/1282633416.db2.gz VMUKYAQYRBTUBV-LLVKDONJSA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588676101 1282635627 /nfs/dbraw/zinc/63/56/27/1282635627.db2.gz NVQGJCXLSFEDOU-NSHDSACASA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588681075 1282638297 /nfs/dbraw/zinc/63/82/97/1282638297.db2.gz ILAUYSJWNFYGFP-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588681075 1282638312 /nfs/dbraw/zinc/63/83/12/1282638312.db2.gz ILAUYSJWNFYGFP-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588681531 1282641935 /nfs/dbraw/zinc/64/19/35/1282641935.db2.gz DTGIRGOYKVYFFR-JYAVWHMHSA-N -1 1 370.417 0.190 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588682430 1282642193 /nfs/dbraw/zinc/64/21/93/1282642193.db2.gz YTXURZPNELPHIL-OCCSQVGLSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588682430 1282642205 /nfs/dbraw/zinc/64/22/05/1282642205.db2.gz YTXURZPNELPHIL-OCCSQVGLSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC[S@](=O)(=NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588688558 1282650704 /nfs/dbraw/zinc/65/07/04/1282650704.db2.gz JRWSUFJQTXDKBX-RUZDIDTESA-N -1 1 358.387 0.698 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001588699258 1282653554 /nfs/dbraw/zinc/65/35/54/1282653554.db2.gz GWVHTPDCZKOROV-INIZCTEOSA-N -1 1 368.405 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588719199 1282665511 /nfs/dbraw/zinc/66/55/11/1282665511.db2.gz ZWYIYUROOLCVKZ-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588719199 1282665527 /nfs/dbraw/zinc/66/55/27/1282665527.db2.gz ZWYIYUROOLCVKZ-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001588721726 1282666917 /nfs/dbraw/zinc/66/69/17/1282666917.db2.gz LYVNLTSSXVSJIS-FMSGJZPZSA-N -1 1 368.401 0.037 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001588721726 1282666927 /nfs/dbraw/zinc/66/69/27/1282666927.db2.gz LYVNLTSSXVSJIS-FMSGJZPZSA-N -1 1 368.401 0.037 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588721975 1282669023 /nfs/dbraw/zinc/66/90/23/1282669023.db2.gz RDUFZNYOZZHKPE-OCCSQVGLSA-N -1 1 370.417 0.287 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588721975 1282669035 /nfs/dbraw/zinc/66/90/35/1282669035.db2.gz RDUFZNYOZZHKPE-OCCSQVGLSA-N -1 1 370.417 0.287 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001588723514 1282672735 /nfs/dbraw/zinc/67/27/35/1282672735.db2.gz OHOXUGNVVIANRH-NEPJUHHUSA-N -1 1 358.406 0.190 20 30 FCEDMM CC#CCCCC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588739882 1282678164 /nfs/dbraw/zinc/67/81/64/1282678164.db2.gz AKJXMMHLEMUBIO-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588739882 1282678176 /nfs/dbraw/zinc/67/81/76/1282678176.db2.gz AKJXMMHLEMUBIO-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588737364 1282678330 /nfs/dbraw/zinc/67/83/30/1282678330.db2.gz LFJFGFSZXRJMPB-UONOGXRCSA-N -1 1 368.445 0.921 20 30 FCEDMM CC#CCCCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588739881 1282680860 /nfs/dbraw/zinc/68/08/60/1282680860.db2.gz AKJXMMHLEMUBIO-KRWDZBQOSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588739881 1282680871 /nfs/dbraw/zinc/68/08/71/1282680871.db2.gz AKJXMMHLEMUBIO-KRWDZBQOSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588743562 1282683444 /nfs/dbraw/zinc/68/34/44/1282683444.db2.gz GCWBGWCOSMHHIL-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588743562 1282683458 /nfs/dbraw/zinc/68/34/58/1282683458.db2.gz GCWBGWCOSMHHIL-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588740145 1282684035 /nfs/dbraw/zinc/68/40/35/1282684035.db2.gz HQJTVIHGGOKFHT-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588740145 1282684049 /nfs/dbraw/zinc/68/40/49/1282684049.db2.gz HQJTVIHGGOKFHT-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C[C@@](C#N)(NC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CC1 ZINC001588924363 1282726794 /nfs/dbraw/zinc/72/67/94/1282726794.db2.gz LDJZZNOLWGDEQJ-KRWDZBQOSA-N -1 1 353.386 0.326 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589067720 1282790758 /nfs/dbraw/zinc/79/07/58/1282790758.db2.gz DRIFYHLUVGDSPO-LBPRGKRZSA-N -1 1 354.418 0.435 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589068085 1282791536 /nfs/dbraw/zinc/79/15/36/1282791536.db2.gz LFLHWZKWFFIDDI-LBPRGKRZSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589068085 1282791547 /nfs/dbraw/zinc/79/15/47/1282791547.db2.gz LFLHWZKWFFIDDI-LBPRGKRZSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589158286 1282811741 /nfs/dbraw/zinc/81/17/41/1282811741.db2.gz WMMVENIBALLWMN-GXFFZTMASA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589158286 1282811749 /nfs/dbraw/zinc/81/17/49/1282811749.db2.gz WMMVENIBALLWMN-GXFFZTMASA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589379932 1282854843 /nfs/dbraw/zinc/85/48/43/1282854843.db2.gz GFWWMZYAEOXANZ-STQMWFEESA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589379932 1282854853 /nfs/dbraw/zinc/85/48/53/1282854853.db2.gz GFWWMZYAEOXANZ-STQMWFEESA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589384634 1282859601 /nfs/dbraw/zinc/85/96/01/1282859601.db2.gz LWOHOBCEPVEHFE-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589384634 1282859607 /nfs/dbraw/zinc/85/96/07/1282859607.db2.gz LWOHOBCEPVEHFE-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001589386845 1282864666 /nfs/dbraw/zinc/86/46/66/1282864666.db2.gz CBPACVFADDBIGL-CYBMUJFWSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001589386845 1282864674 /nfs/dbraw/zinc/86/46/74/1282864674.db2.gz CBPACVFADDBIGL-CYBMUJFWSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001589386639 1282865105 /nfs/dbraw/zinc/86/51/05/1282865105.db2.gz BBFGMVCYVWTDTN-UHFFFAOYSA-N -1 1 360.443 0.251 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589390011 1282871115 /nfs/dbraw/zinc/87/11/15/1282871115.db2.gz WYEFPWPXMDQNGP-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589390011 1282871121 /nfs/dbraw/zinc/87/11/21/1282871121.db2.gz WYEFPWPXMDQNGP-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)CSCC#N ZINC001604334208 1287608582 /nfs/dbraw/zinc/60/85/82/1287608582.db2.gz FFVLESWYHGIPMU-SNVBAGLBSA-N -1 1 361.435 0.244 20 30 FCEDMM CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)CSCC#N ZINC001604334208 1287608592 /nfs/dbraw/zinc/60/85/92/1287608592.db2.gz FFVLESWYHGIPMU-SNVBAGLBSA-N -1 1 361.435 0.244 20 30 FCEDMM C[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)NC(=O)c1ccccc1 ZINC001589793891 1283012009 /nfs/dbraw/zinc/01/20/09/1283012009.db2.gz DOQLBDIOJFYTSV-SECBINFHSA-N -1 1 365.357 0.609 20 30 FCEDMM C[C@@H](Cc1c(F)cccc1F)NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001589891146 1283112688 /nfs/dbraw/zinc/11/26/88/1283112688.db2.gz PTXRLBHFLWVQDH-VIFPVBQESA-N -1 1 372.339 0.960 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589911754 1283118466 /nfs/dbraw/zinc/11/84/66/1283118466.db2.gz DSRISZXWQKQCOL-GXTWGEPZSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986996 1283157576 /nfs/dbraw/zinc/15/75/76/1283157576.db2.gz AZMVHUGNHZMGPX-BXUZGUMPSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986996 1283157579 /nfs/dbraw/zinc/15/75/79/1283157579.db2.gz AZMVHUGNHZMGPX-BXUZGUMPSA-N -1 1 368.401 0.098 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590101802 1283213515 /nfs/dbraw/zinc/21/35/15/1283213515.db2.gz HQFBRXDMQQQLPH-JTQLQIEISA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590101802 1283213520 /nfs/dbraw/zinc/21/35/20/1283213520.db2.gz HQFBRXDMQQQLPH-JTQLQIEISA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590102656 1283214252 /nfs/dbraw/zinc/21/42/52/1283214252.db2.gz WKTLQYSPXAZFEI-LLVKDONJSA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590102656 1283214255 /nfs/dbraw/zinc/21/42/55/1283214255.db2.gz WKTLQYSPXAZFEI-LLVKDONJSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CSCC#N)C1 ZINC001590135155 1283236651 /nfs/dbraw/zinc/23/66/51/1283236651.db2.gz GKVNBBLBLMMDSY-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CSCC#N)C1 ZINC001590135155 1283236661 /nfs/dbraw/zinc/23/66/61/1283236661.db2.gz GKVNBBLBLMMDSY-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590169858 1283264809 /nfs/dbraw/zinc/26/48/09/1283264809.db2.gz FETKWTJPJXKWFR-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590169858 1283264816 /nfs/dbraw/zinc/26/48/16/1283264816.db2.gz FETKWTJPJXKWFR-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174263 1283277542 /nfs/dbraw/zinc/27/75/42/1283277542.db2.gz BXOMFSKPADSVGP-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174263 1283277554 /nfs/dbraw/zinc/27/75/54/1283277554.db2.gz BXOMFSKPADSVGP-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590174996 1283280657 /nfs/dbraw/zinc/28/06/57/1283280657.db2.gz KXJAFOPWCBJHHN-NEPJUHHUSA-N -1 1 354.418 0.529 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CSCC#N ZINC001590212460 1283342241 /nfs/dbraw/zinc/34/22/41/1283342241.db2.gz QLCPASWQEZHUCZ-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CSCC#N ZINC001590212460 1283342251 /nfs/dbraw/zinc/34/22/51/1283342251.db2.gz QLCPASWQEZHUCZ-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590212405 1283342509 /nfs/dbraw/zinc/34/25/09/1283342509.db2.gz PBHZIRZMEVJLDW-QWRGUYRKSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590212405 1283342521 /nfs/dbraw/zinc/34/25/21/1283342521.db2.gz PBHZIRZMEVJLDW-QWRGUYRKSA-N -1 1 373.446 0.705 20 30 FCEDMM CC1CC(n2nnc3c2CN(c2cnc(C#N)c(-c4nn[n-]n4)n2)CC3)C1 ZINC001590215391 1283347765 /nfs/dbraw/zinc/34/77/65/1283347765.db2.gz VBPUYIKRBDAVLZ-UHFFFAOYSA-N -1 1 363.389 0.654 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590233035 1283365106 /nfs/dbraw/zinc/36/51/06/1283365106.db2.gz FZCWNIVKNOVLHY-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590233035 1283365116 /nfs/dbraw/zinc/36/51/16/1283365116.db2.gz FZCWNIVKNOVLHY-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001590256021 1283380549 /nfs/dbraw/zinc/38/05/49/1283380549.db2.gz ZDNNJKFVJXNZLK-WCQYABFASA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590283322 1283411450 /nfs/dbraw/zinc/41/14/50/1283411450.db2.gz MSOCEPIBWHDEID-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590283322 1283411452 /nfs/dbraw/zinc/41/14/52/1283411452.db2.gz MSOCEPIBWHDEID-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM CCc1ccc([C@H](C#N)NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001604522568 1287650510 /nfs/dbraw/zinc/65/05/10/1287650510.db2.gz ZRDYBPJURWXASN-MFKMUULPSA-N -1 1 351.374 0.963 20 30 FCEDMM CCO[C@@H](CNc1cc(C#N)ncn1)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590785006 1283840392 /nfs/dbraw/zinc/84/03/92/1283840392.db2.gz CFNASQXZRIDUOC-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@@H](CNc1cc(C#N)ncn1)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590785006 1283840400 /nfs/dbraw/zinc/84/04/00/1283840400.db2.gz CFNASQXZRIDUOC-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001590848258 1283924457 /nfs/dbraw/zinc/92/44/57/1283924457.db2.gz VXUNNFCZKHHXCU-UHFFFAOYSA-N -1 1 372.370 0.507 20 30 FCEDMM CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591038061 1284098348 /nfs/dbraw/zinc/09/83/48/1284098348.db2.gz JAIAXPGVFYXASK-CYBMUJFWSA-N -1 1 352.351 0.309 20 30 FCEDMM CN(CC(=O)NCCC1=CCCCC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591038599 1284100751 /nfs/dbraw/zinc/10/07/51/1284100751.db2.gz BHZODMRHYFNIDL-UHFFFAOYSA-N -1 1 367.417 0.971 20 30 FCEDMM CN(CC(=O)NCCC1=CCCCC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591038599 1284100753 /nfs/dbraw/zinc/10/07/53/1284100753.db2.gz BHZODMRHYFNIDL-UHFFFAOYSA-N -1 1 367.417 0.971 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056637 1284116506 /nfs/dbraw/zinc/11/65/06/1284116506.db2.gz PWNRMZSFDRORLB-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056637 1284116512 /nfs/dbraw/zinc/11/65/12/1284116512.db2.gz PWNRMZSFDRORLB-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591057174 1284118335 /nfs/dbraw/zinc/11/83/35/1284118335.db2.gz YTMYITKDODVFQP-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591057174 1284118343 /nfs/dbraw/zinc/11/83/43/1284118343.db2.gz YTMYITKDODVFQP-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001591160420 1284238009 /nfs/dbraw/zinc/23/80/09/1284238009.db2.gz VCVRZYDPPMKTRX-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001591160420 1284238010 /nfs/dbraw/zinc/23/80/10/1284238010.db2.gz VCVRZYDPPMKTRX-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001604641668 1287705112 /nfs/dbraw/zinc/70/51/12/1287705112.db2.gz UINPDDRXEZFIKJ-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001604641668 1287705122 /nfs/dbraw/zinc/70/51/22/1287705122.db2.gz UINPDDRXEZFIKJ-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC001591198956 1284320768 /nfs/dbraw/zinc/32/07/68/1284320768.db2.gz UKHGWEJFKUDBHY-UHFFFAOYSA-N -1 1 356.375 0.531 20 30 FCEDMM CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC001591198956 1284320771 /nfs/dbraw/zinc/32/07/71/1284320771.db2.gz UKHGWEJFKUDBHY-UHFFFAOYSA-N -1 1 356.375 0.531 20 30 FCEDMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001591471247 1284644631 /nfs/dbraw/zinc/64/46/31/1284644631.db2.gz JWKRKJMZVLHEDT-VXGBXAGGSA-N -1 1 373.442 0.365 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@](O)(CC#N)C1 ZINC001591795080 1284910505 /nfs/dbraw/zinc/91/05/05/1284910505.db2.gz WJJCVIFDZNMSJH-KRWDZBQOSA-N -1 1 371.401 0.394 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001591885627 1284975617 /nfs/dbraw/zinc/97/56/17/1284975617.db2.gz PGGRLCLZCMVYNH-OKILXGFUSA-N -1 1 364.413 0.558 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001591885627 1284975628 /nfs/dbraw/zinc/97/56/28/1284975628.db2.gz PGGRLCLZCMVYNH-OKILXGFUSA-N -1 1 364.413 0.558 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)n1 ZINC001591891100 1284980117 /nfs/dbraw/zinc/98/01/17/1284980117.db2.gz ZWKWWRUJIGAZBK-STQMWFEESA-N -1 1 350.386 0.168 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)n1 ZINC001591891100 1284980122 /nfs/dbraw/zinc/98/01/22/1284980122.db2.gz ZWKWWRUJIGAZBK-STQMWFEESA-N -1 1 350.386 0.168 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CNC(=O)C#CC2CC2)C(C)C)n1 ZINC001591891188 1284980258 /nfs/dbraw/zinc/98/02/58/1284980258.db2.gz NJSQVPCCXISFPN-AWEZNQCLSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CNC(=O)C#CC2CC2)C(C)C)n1 ZINC001591891188 1284980264 /nfs/dbraw/zinc/98/02/64/1284980264.db2.gz NJSQVPCCXISFPN-AWEZNQCLSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)(C)C)n1 ZINC001591890444 1284980523 /nfs/dbraw/zinc/98/05/23/1284980523.db2.gz FXODCTWPFDBWSU-STQMWFEESA-N -1 1 366.429 0.804 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC(C)(C)C)n1 ZINC001591890444 1284980535 /nfs/dbraw/zinc/98/05/35/1284980535.db2.gz FXODCTWPFDBWSU-STQMWFEESA-N -1 1 366.429 0.804 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001591906426 1284998183 /nfs/dbraw/zinc/99/81/83/1284998183.db2.gz IIWFNCBRGDKORH-NSHDSACASA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001591906426 1284998187 /nfs/dbraw/zinc/99/81/87/1284998187.db2.gz IIWFNCBRGDKORH-NSHDSACASA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c(C)n1-c1nc[nH]n1 ZINC001591907601 1285000088 /nfs/dbraw/zinc/00/00/88/1285000088.db2.gz AZWMJBTUXLKNPH-UHFFFAOYSA-N -1 1 363.345 0.343 20 30 FCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCO[C@](C)(C#N)C1 ZINC001591989553 1285045889 /nfs/dbraw/zinc/04/58/89/1285045889.db2.gz DSMGHFNILFDSOB-CQSZACIVSA-N -1 1 366.378 0.617 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NC(=O)NC1CCCCC1 ZINC001592334684 1285244219 /nfs/dbraw/zinc/24/42/19/1285244219.db2.gz DRNMLJROKHSHJJ-UHFFFAOYSA-N -1 1 357.378 0.402 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC001592335179 1285245639 /nfs/dbraw/zinc/24/56/39/1285245639.db2.gz NQHFZAXULHCPML-UHFFFAOYSA-N -1 1 368.405 0.913 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NC3=NO[C@H](C)C3)CC2)o1 ZINC001592337931 1285248577 /nfs/dbraw/zinc/24/85/77/1285248577.db2.gz GERPNSJXKDKDDB-MRVPVSSYSA-N -1 1 360.378 0.618 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3cc(-c4nnn[n-]4)nc(C)n3)CC2)c1C#N ZINC001592341320 1285251541 /nfs/dbraw/zinc/25/15/41/1285251541.db2.gz POGGJFMZHDVIEX-UHFFFAOYSA-N -1 1 365.405 0.205 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3cc(-c4nn[n-]n4)nc(C)n3)CC2)c1C#N ZINC001592341320 1285251557 /nfs/dbraw/zinc/25/15/57/1285251557.db2.gz POGGJFMZHDVIEX-UHFFFAOYSA-N -1 1 365.405 0.205 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1c(C)nc2sccn2c1=O ZINC001592406016 1285318809 /nfs/dbraw/zinc/31/88/09/1285318809.db2.gz YRLFNRDKPMQHDK-UHFFFAOYSA-N -1 1 367.398 0.864 20 30 FCEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592436176 1285367816 /nfs/dbraw/zinc/36/78/16/1285367816.db2.gz JFYVQFKNYHAAEM-UHFFFAOYSA-N -1 1 354.378 0.645 20 30 FCEDMM Cc1nsc(N2CCN(C(=O)CSCC#N)CC2)c1-c1nn[n-]n1 ZINC001592475314 1285415151 /nfs/dbraw/zinc/41/51/51/1285415151.db2.gz PANKFZXCYWXTQQ-UHFFFAOYSA-N -1 1 364.460 0.537 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 ZINC001592559721 1285471631 /nfs/dbraw/zinc/47/16/31/1285471631.db2.gz BFBAQUFATOOIIW-UHFFFAOYSA-N -1 1 360.341 0.910 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 ZINC001592559721 1285471634 /nfs/dbraw/zinc/47/16/34/1285471634.db2.gz BFBAQUFATOOIIW-UHFFFAOYSA-N -1 1 360.341 0.910 20 30 FCEDMM N#CCCCS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592676119 1285570453 /nfs/dbraw/zinc/57/04/53/1285570453.db2.gz AJDFNYDQPKVQTO-UHFFFAOYSA-N -1 1 362.419 0.017 20 30 FCEDMM N#CCCCS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592676119 1285570456 /nfs/dbraw/zinc/57/04/56/1285570456.db2.gz AJDFNYDQPKVQTO-UHFFFAOYSA-N -1 1 362.419 0.017 20 30 FCEDMM N#CCSCC(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001592679179 1285574105 /nfs/dbraw/zinc/57/41/05/1285574105.db2.gz IHEJNVRUFWWBBY-UHFFFAOYSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001592679179 1285574109 /nfs/dbraw/zinc/57/41/09/1285574109.db2.gz IHEJNVRUFWWBBY-UHFFFAOYSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001592679049 1285574630 /nfs/dbraw/zinc/57/46/30/1285574630.db2.gz DKQOSGHQIOLPNE-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001592679049 1285574636 /nfs/dbraw/zinc/57/46/36/1285574636.db2.gz DKQOSGHQIOLPNE-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CNC(=O)c2ccc(F)c(F)c2)nc1-c1nn[nH]n1 ZINC001592683533 1285580299 /nfs/dbraw/zinc/58/02/99/1285580299.db2.gz SAYXYGXEKLKYJO-UHFFFAOYSA-N -1 1 373.283 0.108 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2cccc3nsnc32)nc1-c1nn[nH]n1 ZINC001592682753 1285581187 /nfs/dbraw/zinc/58/11/87/1285581187.db2.gz ADWSZJZWAMWOSQ-UHFFFAOYSA-N -1 1 352.343 0.647 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1-c1nn[nH]n1 ZINC001592683255 1285582101 /nfs/dbraw/zinc/58/21/01/1285582101.db2.gz OXWGIQQARFDAGF-VIFPVBQESA-N -1 1 355.362 0.049 20 30 FCEDMM N#Cc1ccc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)nc1 ZINC001592693154 1285586807 /nfs/dbraw/zinc/58/68/07/1285586807.db2.gz HIKCZFMEZHOXOX-UHFFFAOYSA-N -1 1 361.412 0.814 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592766117 1285688509 /nfs/dbraw/zinc/68/85/09/1285688509.db2.gz CXCPHLUMESIHIT-ZDUSSCGKSA-N -1 1 352.402 0.863 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592766117 1285688520 /nfs/dbraw/zinc/68/85/20/1285688520.db2.gz CXCPHLUMESIHIT-ZDUSSCGKSA-N -1 1 352.402 0.863 20 30 FCEDMM O=C(C#CC1CC1)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592767372 1285690374 /nfs/dbraw/zinc/69/03/74/1285690374.db2.gz BVAVKPVGIJHJGI-UHFFFAOYSA-N -1 1 352.402 0.331 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592767290 1285690467 /nfs/dbraw/zinc/69/04/67/1285690467.db2.gz AGVDWZUMAXASCR-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592767290 1285690480 /nfs/dbraw/zinc/69/04/80/1285690480.db2.gz AGVDWZUMAXASCR-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001592768667 1285692501 /nfs/dbraw/zinc/69/25/01/1285692501.db2.gz OIFMPDMHYKCSFN-ZIAGYGMSSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001592768667 1285692509 /nfs/dbraw/zinc/69/25/09/1285692509.db2.gz OIFMPDMHYKCSFN-ZIAGYGMSSA-N -1 1 364.413 0.909 20 30 FCEDMM CN=c1scc(-c2cnnn2C)n1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC001609286060 1289050645 /nfs/dbraw/zinc/05/06/45/1289050645.db2.gz LFTQLWIAVZBJNP-UHFFFAOYSA-N -1 1 372.443 0.999 20 30 FCEDMM O=c1nc(N=NCCCc2ccc(-c3nn[nH]n3)cc2)nc2[nH][n-]cc1-2 ZINC001593488854 1286177525 /nfs/dbraw/zinc/17/75/25/1286177525.db2.gz WICLSVRUBPNJAU-UHFFFAOYSA-N -1 1 350.346 0.643 20 30 FCEDMM N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@@H]2CCOC2)c(F)c1 ZINC001601089030 1286631119 /nfs/dbraw/zinc/63/11/19/1286631119.db2.gz DZMHOTRHCOACBJ-NXEZZACHSA-N -1 1 360.338 0.852 20 30 FCEDMM C=CC[C@H](NC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccncc1 ZINC001609320594 1289090715 /nfs/dbraw/zinc/09/07/15/1289090715.db2.gz SQADHKAIBQVJGM-HNNXBMFYSA-N -1 1 374.441 0.822 20 30 FCEDMM COc1nc(Cl)c(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)n1C ZINC001609365079 1289118494 /nfs/dbraw/zinc/11/84/94/1289118494.db2.gz DUXGNDILAWAEKN-UHFFFAOYSA-N -1 1 362.781 0.923 20 30 FCEDMM C#CCC1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001602700298 1287063754 /nfs/dbraw/zinc/06/37/54/1287063754.db2.gz UYYIZOGZUIPALM-UHFFFAOYSA-N -1 1 353.429 0.467 20 30 FCEDMM C#CCC1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001602700298 1287063770 /nfs/dbraw/zinc/06/37/70/1287063770.db2.gz UYYIZOGZUIPALM-UHFFFAOYSA-N -1 1 353.429 0.467 20 30 FCEDMM C#CCCCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602703248 1287064277 /nfs/dbraw/zinc/06/42/77/1287064277.db2.gz MAYNEZXURWZLHT-QGZVFWFLSA-N -1 1 354.418 0.533 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602703452 1287066876 /nfs/dbraw/zinc/06/68/76/1287066876.db2.gz QTUXZWXPFXJVAL-CQSZACIVSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602706286 1287068016 /nfs/dbraw/zinc/06/80/16/1287068016.db2.gz PRMRFBDQCRQYKO-ZDUSSCGKSA-N -1 1 372.433 0.390 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602706286 1287068030 /nfs/dbraw/zinc/06/80/30/1287068030.db2.gz PRMRFBDQCRQYKO-ZDUSSCGKSA-N -1 1 372.433 0.390 20 30 FCEDMM C#CCCCCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602706633 1287068369 /nfs/dbraw/zinc/06/83/69/1287068369.db2.gz XJJJFQLDOCZUKD-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602706633 1287068376 /nfs/dbraw/zinc/06/83/76/1287068376.db2.gz XJJJFQLDOCZUKD-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cnc(-c2nnn[n-]2)cn1 ZINC001602724325 1287081251 /nfs/dbraw/zinc/08/12/51/1287081251.db2.gz CNMZUCLKHPCEFI-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cnc(-c2nn[n-]n2)cn1 ZINC001602724325 1287081265 /nfs/dbraw/zinc/08/12/65/1287081265.db2.gz CNMZUCLKHPCEFI-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602725076 1287084886 /nfs/dbraw/zinc/08/48/86/1287084886.db2.gz IWSRGQYJGRUMBF-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602725076 1287084899 /nfs/dbraw/zinc/08/48/99/1287084899.db2.gz IWSRGQYJGRUMBF-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001602727415 1287091206 /nfs/dbraw/zinc/09/12/06/1287091206.db2.gz XJIFFNJXCBSZPP-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001602727415 1287091208 /nfs/dbraw/zinc/09/12/08/1287091208.db2.gz XJIFFNJXCBSZPP-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001602727177 1287091444 /nfs/dbraw/zinc/09/14/44/1287091444.db2.gz WCIUXRRLFMVBIF-YVEFUNNKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001602727177 1287091457 /nfs/dbraw/zinc/09/14/57/1287091457.db2.gz WCIUXRRLFMVBIF-YVEFUNNKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001602726970 1287092004 /nfs/dbraw/zinc/09/20/04/1287092004.db2.gz UVYVDMVACJUGBW-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001602726970 1287092016 /nfs/dbraw/zinc/09/20/16/1287092016.db2.gz UVYVDMVACJUGBW-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001602729569 1287095967 /nfs/dbraw/zinc/09/59/67/1287095967.db2.gz XDSBUEQEHOLELJ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001602729569 1287095971 /nfs/dbraw/zinc/09/59/71/1287095971.db2.gz XDSBUEQEHOLELJ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001602729395 1287096316 /nfs/dbraw/zinc/09/63/16/1287096316.db2.gz QCGSEINAAOMGKS-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001602729395 1287096326 /nfs/dbraw/zinc/09/63/26/1287096326.db2.gz QCGSEINAAOMGKS-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001602737458 1287098223 /nfs/dbraw/zinc/09/82/23/1287098223.db2.gz RZFIKFRYNKIEKB-QWRGUYRKSA-N -1 1 363.385 0.074 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001602737499 1287099468 /nfs/dbraw/zinc/09/94/68/1287099468.db2.gz SVGWQJIUZSGMPQ-LLVKDONJSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001602743025 1287102410 /nfs/dbraw/zinc/10/24/10/1287102410.db2.gz OSFJNQXTRNVJRT-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001602743025 1287102411 /nfs/dbraw/zinc/10/24/11/1287102411.db2.gz OSFJNQXTRNVJRT-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001602743229 1287103074 /nfs/dbraw/zinc/10/30/74/1287103074.db2.gz UFBCWGICWKZWCU-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001602743229 1287103081 /nfs/dbraw/zinc/10/30/81/1287103081.db2.gz UFBCWGICWKZWCU-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001602745336 1287103125 /nfs/dbraw/zinc/10/31/25/1287103125.db2.gz AYFDYVSUHLEQIA-UHFFFAOYSA-N -1 1 363.385 0.573 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001602745336 1287103131 /nfs/dbraw/zinc/10/31/31/1287103131.db2.gz AYFDYVSUHLEQIA-UHFFFAOYSA-N -1 1 363.385 0.573 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001602743026 1287103479 /nfs/dbraw/zinc/10/34/79/1287103479.db2.gz OSFJNQXTRNVJRT-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001602743026 1287103483 /nfs/dbraw/zinc/10/34/83/1287103483.db2.gz OSFJNQXTRNVJRT-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001602756846 1287104443 /nfs/dbraw/zinc/10/44/43/1287104443.db2.gz YQDFIFLXKPCDEL-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001602756846 1287104449 /nfs/dbraw/zinc/10/44/49/1287104449.db2.gz YQDFIFLXKPCDEL-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)CCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602756327 1287104488 /nfs/dbraw/zinc/10/44/88/1287104488.db2.gz KMLVBLOEQIRVIC-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602756327 1287104493 /nfs/dbraw/zinc/10/44/93/1287104493.db2.gz KMLVBLOEQIRVIC-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)OCC ZINC001602753506 1287104861 /nfs/dbraw/zinc/10/48/61/1287104861.db2.gz QHTDDQWJVVKUKN-CYBMUJFWSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)OCC ZINC001602753506 1287104864 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XNHFMYVRCRKDLE-SUNKGSAMSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001602769623 1287108892 /nfs/dbraw/zinc/10/88/92/1287108892.db2.gz BWNFUYYPLOJQME-XUJVJEKNSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001602769623 1287108896 /nfs/dbraw/zinc/10/88/96/1287108896.db2.gz BWNFUYYPLOJQME-XUJVJEKNSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602769663 1287108973 /nfs/dbraw/zinc/10/89/73/1287108973.db2.gz DRRFAHDHCUYIDP-HUBLWGQQSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602769663 1287108979 /nfs/dbraw/zinc/10/89/79/1287108979.db2.gz DRRFAHDHCUYIDP-HUBLWGQQSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C1CCN(c2nnc(Cn3cnc(-c4nn[n-]n4)n3)n2CC(C)C)CC1 ZINC001602776595 1287110393 /nfs/dbraw/zinc/11/03/93/1287110393.db2.gz DNZVNXDQEXOOIP-UHFFFAOYSA-N -1 1 369.437 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/nfs/dbraw/zinc/89/90/26/852899026.db2.gz IDVJKNQKZSQDSO-QMMMGPOBSA-N -1 1 359.123 0.413 20 30 FCEDMM CCN(CCC#N)S(=O)(=O)[N-][C@H](c1cnn(C)c1)c1noc(C)n1 ZINC001211988214 854319474 /nfs/dbraw/zinc/31/94/74/854319474.db2.gz ZXUHHZXRSOQECD-GFCCVEGCSA-N -1 1 353.408 0.271 20 30 FCEDMM N[C@@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1ccccc1 ZINC001221382039 856557044 /nfs/dbraw/zinc/55/70/44/856557044.db2.gz GSYLEUPNJFLJOF-VXGBXAGGSA-N -1 1 363.376 0.229 20 30 FCEDMM N[C@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1ccccc1 ZINC001221382034 856557139 /nfs/dbraw/zinc/55/71/39/856557139.db2.gz GSYLEUPNJFLJOF-NEPJUHHUSA-N -1 1 363.376 0.229 20 30 FCEDMM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143012 857193196 /nfs/dbraw/zinc/19/31/96/857193196.db2.gz IYBAQEFGQVSUAL-SECBINFHSA-N -1 1 353.287 0.686 20 30 FCEDMM CN(C)S(=O)(=O)[N-]c1c(C#N)cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001251059055 857691752 /nfs/dbraw/zinc/69/17/52/857691752.db2.gz YZMMIXYHLNPWEZ-UHFFFAOYSA-N -1 1 369.428 0.366 20 30 FCEDMM C=C(C)CN1CC2(CN(C(=O)c3cnc(SC)[n-]c3=O)C2)OCC1=O ZINC001274833002 860846011 /nfs/dbraw/zinc/84/60/11/860846011.db2.gz MPOWSZPIKDPSOY-UHFFFAOYSA-N -1 1 364.427 0.534 20 30 FCEDMM C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC001309803954 866901333 /nfs/dbraw/zinc/90/13/33/866901333.db2.gz VOCQTPVFMKQGAT-NSHDSACASA-N -1 1 366.436 0.803 20 30 FCEDMM CN(CC(C)(C)C#N)C(=O)C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332117869 873382245 /nfs/dbraw/zinc/38/22/45/873382245.db2.gz QMCHHYPRETULJB-AWEZNQCLSA-N -1 1 362.352 0.664 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573282124 946686715 /nfs/dbraw/zinc/68/67/15/946686715.db2.gz FZXHMMVPQBFQIM-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573282124 946686722 /nfs/dbraw/zinc/68/67/22/946686722.db2.gz FZXHMMVPQBFQIM-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573282792 946697749 /nfs/dbraw/zinc/69/77/49/946697749.db2.gz AYOIXCOLDYKMST-OLZOCXBDSA-N -1 1 356.434 0.967 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573285048 946765049 /nfs/dbraw/zinc/76/50/49/946765049.db2.gz CHLDBNAQOIQLNS-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573285048 946765053 /nfs/dbraw/zinc/76/50/53/946765053.db2.gz CHLDBNAQOIQLNS-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573285053 946765292 /nfs/dbraw/zinc/76/52/92/946765292.db2.gz CJTSTZPEQFRTCU-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573285053 946765297 /nfs/dbraw/zinc/76/52/97/946765297.db2.gz CJTSTZPEQFRTCU-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573286099 946795109 /nfs/dbraw/zinc/79/51/09/946795109.db2.gz TZBDTTLXLLBAAN-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573286099 946795115 /nfs/dbraw/zinc/79/51/15/946795115.db2.gz TZBDTTLXLLBAAN-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573286278 946800550 /nfs/dbraw/zinc/80/05/50/946800550.db2.gz YCXPJCFISUMGCE-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573286892 946820883 /nfs/dbraw/zinc/82/08/83/946820883.db2.gz CARLDTXPNWEFJC-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573286892 946820891 /nfs/dbraw/zinc/82/08/91/946820891.db2.gz CARLDTXPNWEFJC-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573287964 946853587 /nfs/dbraw/zinc/85/35/87/946853587.db2.gz QSZBDFDFBIOWHM-GXSJLCMTSA-N -1 1 363.447 0.977 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573290811 946912468 /nfs/dbraw/zinc/91/24/68/946912468.db2.gz QJGDXNBQZSANIW-WAYWQWQTSA-N -1 1 374.408 0.965 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573290811 946912478 /nfs/dbraw/zinc/91/24/78/946912478.db2.gz QJGDXNBQZSANIW-WAYWQWQTSA-N -1 1 374.408 0.965 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001573294710 946998018 /nfs/dbraw/zinc/99/80/18/946998018.db2.gz JCYBSPUQBMYBFG-JSGCOSHPSA-N -1 1 372.433 0.580 20 30 FCEDMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000824936032 946999453 /nfs/dbraw/zinc/99/94/53/946999453.db2.gz DNNWKIAAPQIELK-ZJUUUORDSA-N -1 1 357.378 0.339 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565238 947005317 /nfs/dbraw/zinc/00/53/17/947005317.db2.gz PGCJRTORMKSCPC-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565238 947005328 /nfs/dbraw/zinc/00/53/28/947005328.db2.gz PGCJRTORMKSCPC-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573565978 947017625 /nfs/dbraw/zinc/01/76/25/947017625.db2.gz YCVFCVCRCFJXPC-SDDRHHMPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573565978 947017637 /nfs/dbraw/zinc/01/76/37/947017637.db2.gz YCVFCVCRCFJXPC-SDDRHHMPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573566562 947026415 /nfs/dbraw/zinc/02/64/15/947026415.db2.gz DHKWFSYHQKDOKQ-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573566562 947026423 /nfs/dbraw/zinc/02/64/23/947026423.db2.gz DHKWFSYHQKDOKQ-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573567190 947038809 /nfs/dbraw/zinc/03/88/09/947038809.db2.gz JSVIDEBXGFZZOE-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573567190 947038823 /nfs/dbraw/zinc/03/88/23/947038823.db2.gz JSVIDEBXGFZZOE-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573568008 947062211 /nfs/dbraw/zinc/06/22/11/947062211.db2.gz WKJKKDYRGJOKCC-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573568008 947062220 /nfs/dbraw/zinc/06/22/20/947062220.db2.gz WKJKKDYRGJOKCC-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573572068 947109635 /nfs/dbraw/zinc/10/96/35/947109635.db2.gz DONPKBCGVHQGQZ-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573572068 947109637 /nfs/dbraw/zinc/10/96/37/947109637.db2.gz DONPKBCGVHQGQZ-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573574642 947129974 /nfs/dbraw/zinc/12/99/74/947129974.db2.gz SIHPFNNPSUCRAB-SIVJFFJCSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573574642 947129980 /nfs/dbraw/zinc/12/99/80/947129980.db2.gz SIHPFNNPSUCRAB-SIVJFFJCSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573575350 947137131 /nfs/dbraw/zinc/13/71/31/947137131.db2.gz XNIIOJQDGAEXAB-ZYHUDNBSSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573575350 947137144 /nfs/dbraw/zinc/13/71/44/947137144.db2.gz XNIIOJQDGAEXAB-ZYHUDNBSSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573576283 947151612 /nfs/dbraw/zinc/15/16/12/947151612.db2.gz GINGPELPRFRGPR-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573576569 947154572 /nfs/dbraw/zinc/15/45/72/947154572.db2.gz HNZNGADIWNOOJA-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573305726 947160495 /nfs/dbraw/zinc/16/04/95/947160495.db2.gz UJYSTIKIKSJKLG-CNDDSTCGSA-N -1 1 354.418 0.667 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573305726 947160500 /nfs/dbraw/zinc/16/05/00/947160500.db2.gz UJYSTIKIKSJKLG-CNDDSTCGSA-N -1 1 354.418 0.667 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573577871 947176325 /nfs/dbraw/zinc/17/63/25/947176325.db2.gz UNYGCRMTBPGRTO-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573577871 947176334 /nfs/dbraw/zinc/17/63/34/947176334.db2.gz UNYGCRMTBPGRTO-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309273 947194437 /nfs/dbraw/zinc/19/44/37/947194437.db2.gz GGSJFUGNQZKRND-DKRLNXSXSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309273 947194441 /nfs/dbraw/zinc/19/44/41/947194441.db2.gz GGSJFUGNQZKRND-DKRLNXSXSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573309407 947198145 /nfs/dbraw/zinc/19/81/45/947198145.db2.gz INNLVSCWFUYCRY-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573309407 947198152 /nfs/dbraw/zinc/19/81/52/947198152.db2.gz INNLVSCWFUYCRY-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573309392 947198610 /nfs/dbraw/zinc/19/86/10/947198610.db2.gz IIIDATDVNKGIPP-HEKSYOIISA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573309392 947198615 /nfs/dbraw/zinc/19/86/15/947198615.db2.gz IIIDATDVNKGIPP-HEKSYOIISA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309372 947198801 /nfs/dbraw/zinc/19/88/01/947198801.db2.gz HTTHTVQHRXQGBR-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309372 947198806 /nfs/dbraw/zinc/19/88/06/947198806.db2.gz HTTHTVQHRXQGBR-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573309673 947205789 /nfs/dbraw/zinc/20/57/89/947205789.db2.gz MRUCCTWKNSVLPI-MEDUHNTESA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573309673 947205799 /nfs/dbraw/zinc/20/57/99/947205799.db2.gz MRUCCTWKNSVLPI-MEDUHNTESA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309699 947208125 /nfs/dbraw/zinc/20/81/25/947208125.db2.gz MZNFJNSGGFDJQT-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309699 947208130 /nfs/dbraw/zinc/20/81/30/947208130.db2.gz MZNFJNSGGFDJQT-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573309759 947210536 /nfs/dbraw/zinc/21/05/36/947210536.db2.gz OASZGHVBTWYEIT-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573309759 947210545 /nfs/dbraw/zinc/21/05/45/947210545.db2.gz OASZGHVBTWYEIT-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573310202 947218371 /nfs/dbraw/zinc/21/83/71/947218371.db2.gz UWPVLPWFWLBAKV-MEDUHNTESA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573310202 947218381 /nfs/dbraw/zinc/21/83/81/947218381.db2.gz UWPVLPWFWLBAKV-MEDUHNTESA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573310624 947225556 /nfs/dbraw/zinc/22/55/56/947225556.db2.gz YQEGTEGGPDHPNY-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573585683 947266190 /nfs/dbraw/zinc/26/61/90/947266190.db2.gz UWHVIALQHISYNB-MNOVXSKESA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573585683 947266206 /nfs/dbraw/zinc/26/62/06/947266206.db2.gz UWHVIALQHISYNB-MNOVXSKESA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573586186 947280760 /nfs/dbraw/zinc/28/07/60/947280760.db2.gz LKBJBFBOGLLNBX-NGJRWZKOSA-N -1 1 364.822 0.687 20 30 FCEDMM C=CCC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001573325276 947352573 /nfs/dbraw/zinc/35/25/73/947352573.db2.gz AGDFIEGPMOPKSR-GFCCVEGCSA-N -1 1 354.418 0.838 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001573326985 947383832 /nfs/dbraw/zinc/38/38/32/947383832.db2.gz ZSHTXZLDPJBPQU-LBPRGKRZSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001573326985 947383842 /nfs/dbraw/zinc/38/38/42/947383842.db2.gz ZSHTXZLDPJBPQU-LBPRGKRZSA-N -1 1 372.433 0.601 20 30 FCEDMM CN(C)c1ccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825965731 947388772 /nfs/dbraw/zinc/38/87/72/947388772.db2.gz FHEIVMJTDOEUKP-UHFFFAOYSA-N -1 1 365.401 0.659 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573327452 947389530 /nfs/dbraw/zinc/38/95/30/947389530.db2.gz FREWPGBOWTUTBY-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573327452 947389543 /nfs/dbraw/zinc/38/95/43/947389543.db2.gz FREWPGBOWTUTBY-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573327451 947390680 /nfs/dbraw/zinc/39/06/80/947390680.db2.gz FREWPGBOWTUTBY-INIZCTEOSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573327451 947390695 /nfs/dbraw/zinc/39/06/95/947390695.db2.gz FREWPGBOWTUTBY-INIZCTEOSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573328911 947415721 /nfs/dbraw/zinc/41/57/21/947415721.db2.gz DNNMKMMMFVSBEJ-YPMHNXCESA-N -1 1 373.417 0.770 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573335890 947493241 /nfs/dbraw/zinc/49/32/41/947493241.db2.gz FVFLQGNAHPOQLO-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573335890 947493247 /nfs/dbraw/zinc/49/32/47/947493247.db2.gz FVFLQGNAHPOQLO-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336124 947501549 /nfs/dbraw/zinc/50/15/49/947501549.db2.gz JACVXGIYVZOLFZ-CHWSQXEVSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336124 947501553 /nfs/dbraw/zinc/50/15/53/947501553.db2.gz JACVXGIYVZOLFZ-CHWSQXEVSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336126 947501565 /nfs/dbraw/zinc/50/15/65/947501565.db2.gz JACVXGIYVZOLFZ-QWHCGFSZSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336126 947501570 /nfs/dbraw/zinc/50/15/70/947501570.db2.gz JACVXGIYVZOLFZ-QWHCGFSZSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573337101 947513961 /nfs/dbraw/zinc/51/39/61/947513961.db2.gz UMCPNSIVHYIFND-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573337101 947513968 /nfs/dbraw/zinc/51/39/68/947513968.db2.gz UMCPNSIVHYIFND-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573343039 947549788 /nfs/dbraw/zinc/54/97/88/947549788.db2.gz ISKSNMYNYBEQSZ-UTUOFQBUSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001573343039 947549798 /nfs/dbraw/zinc/54/97/98/947549798.db2.gz ISKSNMYNYBEQSZ-UTUOFQBUSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573343848 947564194 /nfs/dbraw/zinc/56/41/94/947564194.db2.gz UCCAABZPTPPLOC-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCOCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573343848 947564204 /nfs/dbraw/zinc/56/42/04/947564204.db2.gz UCCAABZPTPPLOC-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573348122 947579776 /nfs/dbraw/zinc/57/97/76/947579776.db2.gz MKGYSYUVORGGJK-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573348122 947579787 /nfs/dbraw/zinc/57/97/87/947579787.db2.gz MKGYSYUVORGGJK-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1OC ZINC000826209878 947613292 /nfs/dbraw/zinc/61/32/92/947613292.db2.gz VGEXWBSGJJODEE-UHFFFAOYSA-N -1 1 354.330 0.591 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573351569 947617746 /nfs/dbraw/zinc/61/77/46/947617746.db2.gz SKFHWCRTLBGIMU-MNOVXSKESA-N -1 1 356.390 0.309 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573351569 947617752 /nfs/dbraw/zinc/61/77/52/947617752.db2.gz SKFHWCRTLBGIMU-MNOVXSKESA-N -1 1 356.390 0.309 20 30 FCEDMM N#Cc1ncn(Cc2nc(N)nc(Nc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826388329 948194064 /nfs/dbraw/zinc/19/40/64/948194064.db2.gz RZPQIZHYXMYHRB-UHFFFAOYSA-N -1 1 360.345 0.494 20 30 FCEDMM N#Cc1ncn(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1-c1nn[n-]n1 ZINC000826388393 948194144 /nfs/dbraw/zinc/19/41/44/948194144.db2.gz WCMOGTGMMYEDNJ-UHFFFAOYSA-N -1 1 357.265 0.621 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573793363 949296256 /nfs/dbraw/zinc/29/62/56/949296256.db2.gz QHUAKWREKQQCPS-LBPRGKRZSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)OC(=O)[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001573851223 950290147 /nfs/dbraw/zinc/29/01/47/950290147.db2.gz VBXBOWPQRIMGGZ-SNVBAGLBSA-N -1 1 358.362 0.075 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001570971347 950322238 /nfs/dbraw/zinc/32/22/38/950322238.db2.gz MRJIZKSEMOCBEY-QWRGUYRKSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001570971347 950322260 /nfs/dbraw/zinc/32/22/60/950322260.db2.gz MRJIZKSEMOCBEY-QWRGUYRKSA-N -1 1 355.406 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CO1 ZINC001573857147 950404860 /nfs/dbraw/zinc/40/48/60/950404860.db2.gz PVGWAAAVPGZFMB-MRVPVSSYSA-N -1 1 359.350 0.491 20 30 FCEDMM CC(C)(C)OC(=O)NC1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573860097 950417115 /nfs/dbraw/zinc/41/71/15/950417115.db2.gz DRZPTDOFZPXTAR-UHFFFAOYSA-N -1 1 357.378 0.998 20 30 FCEDMM CC(C)(C)OC(=O)NC1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573860097 950417133 /nfs/dbraw/zinc/41/71/33/950417133.db2.gz DRZPTDOFZPXTAR-UHFFFAOYSA-N -1 1 357.378 0.998 20 30 FCEDMM N#Cc1ncc(N(CCN2CCOCC2)CC2CC2)nc1-c1nn[n-]n1 ZINC001570975171 950431108 /nfs/dbraw/zinc/43/11/08/950431108.db2.gz ZMVUZDJEPBAXDF-UHFFFAOYSA-N -1 1 355.406 0.077 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574995693 950516973 /nfs/dbraw/zinc/51/69/73/950516973.db2.gz GUSPKTFPLHGPGH-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574995693 950516991 /nfs/dbraw/zinc/51/69/91/950516991.db2.gz GUSPKTFPLHGPGH-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753575 950531254 /nfs/dbraw/zinc/53/12/54/950531254.db2.gz PRSCUDKTUOXVHD-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753575 950531266 /nfs/dbraw/zinc/53/12/66/950531266.db2.gz PRSCUDKTUOXVHD-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574997989 950560681 /nfs/dbraw/zinc/56/06/81/950560681.db2.gz ZWAKPWDONPMJQN-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574997989 950560696 /nfs/dbraw/zinc/56/06/96/950560696.db2.gz ZWAKPWDONPMJQN-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575919854 950622139 /nfs/dbraw/zinc/62/21/39/950622139.db2.gz KPLSHFMLLNGMIQ-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575919854 950622155 /nfs/dbraw/zinc/62/21/55/950622155.db2.gz KPLSHFMLLNGMIQ-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575927349 950742731 /nfs/dbraw/zinc/74/27/31/950742731.db2.gz PHOHYQBHTALDJX-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575927349 950742746 /nfs/dbraw/zinc/74/27/46/950742746.db2.gz PHOHYQBHTALDJX-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM CC(C)(C)c1nnc2n1CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001573884617 950799482 /nfs/dbraw/zinc/79/94/82/950799482.db2.gz GRQQIVNUMPCLRK-UHFFFAOYSA-N -1 1 351.378 0.438 20 30 FCEDMM CCOC(=O)CON=C(C(=O)Nc1ccccc1CC(=O)[O-])c1ccn[nH]1 ZINC001590648360 950961633 /nfs/dbraw/zinc/96/16/33/950961633.db2.gz JLFIDSCQFJRAAF-UHFFFAOYSA-N -1 1 374.353 0.959 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017126 950977678 /nfs/dbraw/zinc/97/76/78/950977678.db2.gz ALUIMXOVLDANKY-VIFPVBQESA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017126 950977692 /nfs/dbraw/zinc/97/76/92/950977692.db2.gz ALUIMXOVLDANKY-VIFPVBQESA-N -1 1 352.362 0.334 20 30 FCEDMM 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C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ncccc1[O-] ZINC001057417241 1216322960 /nfs/dbraw/zinc/32/29/60/1216322960.db2.gz QSCCVJJDGFSVEA-HIFRSBDPSA-N -1 1 363.414 0.319 20 30 FCEDMM [O-]/N=C/c1ccnc(OC[C@H]2COCCOCCOCCOCCO2)n1 ZINC001226255936 1225837664 /nfs/dbraw/zinc/83/76/64/1225837664.db2.gz MUIIUAKZWJDJDR-CLXYIWAZSA-N -1 1 371.390 0.129 20 30 FCEDMM C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1cc([O-])ccc1C#N ZINC001228006806 1225893249 /nfs/dbraw/zinc/89/32/49/1225893249.db2.gz IOOXUODPOLUQHT-JTQLQIEISA-N -1 1 355.354 0.478 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001070676648 1219519844 /nfs/dbraw/zinc/51/98/44/1219519844.db2.gz IEMPECCJWBBLGD-VXGBXAGGSA-N -1 1 359.434 0.540 20 30 FCEDMM N#C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C1 ZINC001120445474 1222086703 /nfs/dbraw/zinc/08/67/03/1222086703.db2.gz DPSPTAMLSSWGDN-GFCCVEGCSA-N -1 1 374.363 0.666 20 30 FCEDMM N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1cnc2cccnc2c1[O-] ZINC001153850777 1222991667 /nfs/dbraw/zinc/99/16/67/1222991667.db2.gz HUHVQQPGMGCRMR-UHFFFAOYSA-N -1 1 356.305 0.961 20 30 FCEDMM COC(=O)c1cccc2c(C(=O)N=C(N)c3ccc(C(N)=O)cc3)n[n-]c21 ZINC001154149671 1223001868 /nfs/dbraw/zinc/00/18/68/1223001868.db2.gz NFVFASWJXLXCQL-UHFFFAOYSA-N -1 1 365.349 0.994 20 30 FCEDMM N#Cc1ccc2[n-]c(C(=O)N3CC(=O)N(C4CC4)C(=O)C3)cc(=O)c2c1 ZINC001154553619 1223011189 /nfs/dbraw/zinc/01/11/89/1223011189.db2.gz WLDFGETWFZAPNG-UHFFFAOYSA-N -1 1 350.334 0.373 20 30 FCEDMM CC#CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1c1ccccc1F ZINC001205630372 1223333607 /nfs/dbraw/zinc/33/36/07/1223333607.db2.gz XCSRTGUGKRUJTQ-GXTWGEPZSA-N -1 1 371.372 0.643 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2OC)c1 ZINC000946640308 1247930138 /nfs/dbraw/zinc/93/01/38/1247930138.db2.gz CFGKIFYYRSSKGN-GDBMZVCRSA-N -1 1 366.377 0.433 20 30 FCEDMM C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC000998613862 1251926555 /nfs/dbraw/zinc/92/65/55/1251926555.db2.gz IGADBXWGKZCVHX-MDZLAQPJSA-N -1 1 370.413 0.492 20 30 FCEDMM C=CCN1CC[C@H](N2C[C@@H](NC(=O)c3ncccc3[O-])[C@H](OC)C2)C1=O ZINC001081578482 1256296553 /nfs/dbraw/zinc/29/65/53/1256296553.db2.gz FTMBBYZUVIACIA-VNHYZAJKSA-N -1 1 360.414 0.003 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)[C@H]3C2)nc1 ZINC001085076876 1258572320 /nfs/dbraw/zinc/57/23/20/1258572320.db2.gz KVYZDSMNEVLLGT-ZBFHGGJFSA-N -1 1 366.425 0.221 20 30 FCEDMM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC001263292410 1260345763 /nfs/dbraw/zinc/34/57/63/1260345763.db2.gz FQSMRTAGXCMDHB-GFCCVEGCSA-N -1 1 373.394 0.688 20 30 FCEDMM CSc1ncc(C(=O)N2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)c(=O)[n-]1 ZINC001279531921 1260885628 /nfs/dbraw/zinc/88/56/28/1260885628.db2.gz UTJAUEYEDNMQNX-LBPRGKRZSA-N -1 1 373.438 0.738 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001580332049 1278132023 /nfs/dbraw/zinc/13/20/23/1278132023.db2.gz PARVDPSFUYJETN-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001580332049 1278132030 /nfs/dbraw/zinc/13/20/30/1278132030.db2.gz PARVDPSFUYJETN-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001580333961 1278132599 /nfs/dbraw/zinc/13/25/99/1278132599.db2.gz VZXHFLLWMTUITL-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001580333961 1278132605 /nfs/dbraw/zinc/13/26/05/1278132605.db2.gz VZXHFLLWMTUITL-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](C#N)C1 ZINC001292863837 1262703226 /nfs/dbraw/zinc/70/32/26/1262703226.db2.gz CRVMSUFVVOOSQA-ZDUSSCGKSA-N -1 1 361.402 0.011 20 30 FCEDMM C[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001580356095 1278159948 /nfs/dbraw/zinc/15/99/48/1278159948.db2.gz JGUZIQWORVWEPC-MWLCHTKSSA-N -1 1 371.405 0.878 20 30 FCEDMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580358064 1278161767 /nfs/dbraw/zinc/16/17/67/1278161767.db2.gz FEGHUCOLGAVTON-NOZJJQNGSA-N -1 1 364.373 0.111 20 30 FCEDMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580358064 1278161770 /nfs/dbraw/zinc/16/17/70/1278161770.db2.gz FEGHUCOLGAVTON-NOZJJQNGSA-N -1 1 364.373 0.111 20 30 FCEDMM C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001327329808 1265287944 /nfs/dbraw/zinc/28/79/44/1265287944.db2.gz LXQAGMMUGBFVHN-PWSUYJOCSA-N -1 1 374.363 0.664 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nn(C)cc1C#N ZINC001580471681 1278357036 /nfs/dbraw/zinc/35/70/36/1278357036.db2.gz XPOQORWNAMXMSK-UHFFFAOYSA-N -1 1 367.373 0.761 20 30 FCEDMM C=CCn1c(-c2c[nH][nH]c2=O)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001340493379 1268565269 /nfs/dbraw/zinc/56/52/69/1268565269.db2.gz OOCPXWCHJAKHNR-UHFFFAOYSA-N -1 1 359.434 0.861 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580634419 1278596586 /nfs/dbraw/zinc/59/65/86/1278596586.db2.gz FNLMZWOJDOUQNG-JTQLQIEISA-N -1 1 366.389 0.420 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580634419 1278596591 /nfs/dbraw/zinc/59/65/91/1278596591.db2.gz FNLMZWOJDOUQNG-JTQLQIEISA-N -1 1 366.389 0.420 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573942448 1270948769 /nfs/dbraw/zinc/94/87/69/1270948769.db2.gz OGOMLCTXZNMSAA-ZIAGYGMSSA-N -1 1 368.445 0.825 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574051480 1271038308 /nfs/dbraw/zinc/03/83/08/1271038308.db2.gz MKURBRGDGNQTLP-CYBMUJFWSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574051480 1271038314 /nfs/dbraw/zinc/03/83/14/1271038314.db2.gz MKURBRGDGNQTLP-CYBMUJFWSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574051962 1271038446 /nfs/dbraw/zinc/03/84/46/1271038446.db2.gz PSUSTTYLBQGIRZ-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574051962 1271038455 /nfs/dbraw/zinc/03/84/55/1271038455.db2.gz PSUSTTYLBQGIRZ-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001580644498 1278621760 /nfs/dbraw/zinc/62/17/60/1278621760.db2.gz KWLIOSYZTRRCEI-AAEUAGOBSA-N -1 1 369.433 0.942 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001580644498 1278621777 /nfs/dbraw/zinc/62/17/77/1278621777.db2.gz KWLIOSYZTRRCEI-AAEUAGOBSA-N -1 1 369.433 0.942 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541665 1271320599 /nfs/dbraw/zinc/32/05/99/1271320599.db2.gz JQKJGJJCPVVVLX-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541665 1271320604 /nfs/dbraw/zinc/32/06/04/1271320604.db2.gz JQKJGJJCPVVVLX-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541666 1271320620 /nfs/dbraw/zinc/32/06/20/1271320620.db2.gz JQKJGJJCPVVVLX-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541666 1271320625 /nfs/dbraw/zinc/32/06/25/1271320625.db2.gz JQKJGJJCPVVVLX-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574545402 1271332566 /nfs/dbraw/zinc/33/25/66/1271332566.db2.gz MMMQYSSDRCDYSR-UWVGGRQHSA-N -1 1 366.389 0.287 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546504 1271334731 /nfs/dbraw/zinc/33/47/31/1271334731.db2.gz XTYPQZCVADOPTA-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546504 1271334739 /nfs/dbraw/zinc/33/47/39/1271334739.db2.gz XTYPQZCVADOPTA-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574580097 1271378585 /nfs/dbraw/zinc/37/85/85/1271378585.db2.gz UFTMGTIAONWNBI-SNVBAGLBSA-N -1 1 366.389 0.289 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574584181 1271382037 /nfs/dbraw/zinc/38/20/37/1271382037.db2.gz ICVSCZOKTPAVKX-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574584181 1271382041 /nfs/dbraw/zinc/38/20/41/1271382041.db2.gz ICVSCZOKTPAVKX-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580652837 1278639074 /nfs/dbraw/zinc/63/90/74/1278639074.db2.gz NWQFOPLNQTUZII-NSHDSACASA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580652837 1278639089 /nfs/dbraw/zinc/63/90/89/1278639089.db2.gz NWQFOPLNQTUZII-NSHDSACASA-N -1 1 369.433 0.848 20 30 FCEDMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574797829 1271536917 /nfs/dbraw/zinc/53/69/17/1271536917.db2.gz XONDHWCXFRXOMB-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574797829 1271536922 /nfs/dbraw/zinc/53/69/22/1271536922.db2.gz XONDHWCXFRXOMB-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580663689 1278665366 /nfs/dbraw/zinc/66/53/66/1278665366.db2.gz PEVWLQHRTWWCSE-GTNSWQLSSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580663689 1278665376 /nfs/dbraw/zinc/66/53/76/1278665376.db2.gz PEVWLQHRTWWCSE-GTNSWQLSSA-N -1 1 369.433 0.848 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575320885 1271923501 /nfs/dbraw/zinc/92/35/01/1271923501.db2.gz XJHIUUWSORJKMB-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575320885 1271923515 /nfs/dbraw/zinc/92/35/15/1271923515.db2.gz XJHIUUWSORJKMB-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001580669791 1278682988 /nfs/dbraw/zinc/68/29/88/1278682988.db2.gz FWNYJPOGSDUXCG-ZYHUDNBSSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001580669791 1278682998 /nfs/dbraw/zinc/68/29/98/1278682998.db2.gz FWNYJPOGSDUXCG-ZYHUDNBSSA-N -1 1 355.406 0.600 20 30 FCEDMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CSCC#N)C1 ZINC001575797653 1272448619 /nfs/dbraw/zinc/44/86/19/1272448619.db2.gz ULJJSNNGTUYGJC-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CSCC#N)C1 ZINC001575797653 1272448625 /nfs/dbraw/zinc/44/86/25/1272448625.db2.gz ULJJSNNGTUYGJC-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069497 1272829613 /nfs/dbraw/zinc/82/96/13/1272829613.db2.gz PIGJALCDNKWCIH-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069497 1272829630 /nfs/dbraw/zinc/82/96/30/1272829630.db2.gz PIGJALCDNKWCIH-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)CSCC#N)C2)n1 ZINC001580705722 1278763895 /nfs/dbraw/zinc/76/38/95/1278763895.db2.gz KJJIGGZGDYDYPM-UHFFFAOYSA-N -1 1 373.446 0.623 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)CSCC#N)C2)n1 ZINC001580705722 1278763903 /nfs/dbraw/zinc/76/39/03/1278763903.db2.gz KJJIGGZGDYDYPM-UHFFFAOYSA-N -1 1 373.446 0.623 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@](C)(NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001580715344 1278782743 /nfs/dbraw/zinc/78/27/43/1278782743.db2.gz BFWVENLLLORRLD-ABKXIKBNSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@](C)(NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001580715344 1278782756 /nfs/dbraw/zinc/78/27/56/1278782756.db2.gz BFWVENLLLORRLD-ABKXIKBNSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC001580718548 1278791444 /nfs/dbraw/zinc/79/14/44/1278791444.db2.gz SDTBEPYQAGFDBL-SKDRFNHKSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC001580718548 1278791449 /nfs/dbraw/zinc/79/14/49/1278791449.db2.gz SDTBEPYQAGFDBL-SKDRFNHKSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001580722518 1278800118 /nfs/dbraw/zinc/80/01/18/1278800118.db2.gz HRKQDTODYZBUHO-ZANVPECISA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001580722518 1278800137 /nfs/dbraw/zinc/80/01/37/1278800137.db2.gz HRKQDTODYZBUHO-ZANVPECISA-N -1 1 355.406 0.774 20 30 FCEDMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577120645 1274174661 /nfs/dbraw/zinc/17/46/61/1274174661.db2.gz WDXXOCFQWANTQV-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577120645 1274174664 /nfs/dbraw/zinc/17/46/64/1274174664.db2.gz WDXXOCFQWANTQV-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580740680 1278845044 /nfs/dbraw/zinc/84/50/44/1278845044.db2.gz IJTZHLOYGJSAGS-CMPLNLGQSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580740680 1278845054 /nfs/dbraw/zinc/84/50/54/1278845054.db2.gz IJTZHLOYGJSAGS-CMPLNLGQSA-N -1 1 355.406 0.775 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001577906142 1275115109 /nfs/dbraw/zinc/11/51/09/1275115109.db2.gz NQWNSDIHEVSAMC-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001577906142 1275115113 /nfs/dbraw/zinc/11/51/13/1275115113.db2.gz NQWNSDIHEVSAMC-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001578148365 1275447470 /nfs/dbraw/zinc/44/74/70/1275447470.db2.gz SWPYHDKOMJKGTG-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001578148365 1275447474 /nfs/dbraw/zinc/44/74/74/1275447474.db2.gz SWPYHDKOMJKGTG-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001578577537 1276010230 /nfs/dbraw/zinc/01/02/30/1276010230.db2.gz YOGBKGTWAIZBLN-JTQLQIEISA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001578577537 1276010237 /nfs/dbraw/zinc/01/02/37/1276010237.db2.gz YOGBKGTWAIZBLN-JTQLQIEISA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588009 1276020964 /nfs/dbraw/zinc/02/09/64/1276020964.db2.gz AZTCZEWCOPTTEM-GHMZBOCLSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588009 1276020969 /nfs/dbraw/zinc/02/09/69/1276020969.db2.gz AZTCZEWCOPTTEM-GHMZBOCLSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578631386 1276080365 /nfs/dbraw/zinc/08/03/65/1276080365.db2.gz WULZUJKIJYKMFV-JOYOIKCWSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578631386 1276080367 /nfs/dbraw/zinc/08/03/67/1276080367.db2.gz WULZUJKIJYKMFV-JOYOIKCWSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001578655355 1276105127 /nfs/dbraw/zinc/10/51/27/1276105127.db2.gz MXDUEISDMALHMW-GHMZBOCLSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001578655355 1276105128 /nfs/dbraw/zinc/10/51/28/1276105128.db2.gz MXDUEISDMALHMW-GHMZBOCLSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)n1 ZINC001578667885 1276119754 /nfs/dbraw/zinc/11/97/54/1276119754.db2.gz BQNQFQMCMSLDFI-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)n1 ZINC001578667885 1276119758 /nfs/dbraw/zinc/11/97/58/1276119758.db2.gz BQNQFQMCMSLDFI-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578911874 1276451760 /nfs/dbraw/zinc/45/17/60/1276451760.db2.gz NDLYBSSTRHXFGK-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578911874 1276451763 /nfs/dbraw/zinc/45/17/63/1276451763.db2.gz NDLYBSSTRHXFGK-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578955207 1276500522 /nfs/dbraw/zinc/50/05/22/1276500522.db2.gz GIMKLLXDCJPEAG-GFCCVEGCSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578955207 1276500528 /nfs/dbraw/zinc/50/05/28/1276500528.db2.gz GIMKLLXDCJPEAG-GFCCVEGCSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1cc(C#N)c[nH]1 ZINC001579123213 1276800244 /nfs/dbraw/zinc/80/02/44/1276800244.db2.gz XLHVRLKAZNYZEL-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579123213 1276800258 /nfs/dbraw/zinc/80/02/58/1276800258.db2.gz XLHVRLKAZNYZEL-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579148388 1276879311 /nfs/dbraw/zinc/87/93/11/1276879311.db2.gz SHSOBXHDFNPALL-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cnc(C#N)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001579152306 1276888341 /nfs/dbraw/zinc/88/83/41/1276888341.db2.gz KIOILPAHPHUUCO-UHFFFAOYSA-N -1 1 359.394 0.831 20 30 FCEDMM CN(Cc1ncc(Br)cn1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579265890 1277061964 /nfs/dbraw/zinc/06/19/64/1277061964.db2.gz QEQACDBWUAARJJ-UHFFFAOYSA-N -1 1 373.178 0.717 20 30 FCEDMM CN(Cc1ncc(Br)cn1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579265890 1277061966 /nfs/dbraw/zinc/06/19/66/1277061966.db2.gz QEQACDBWUAARJJ-UHFFFAOYSA-N -1 1 373.178 0.717 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001579286757 1277110288 /nfs/dbraw/zinc/11/02/88/1277110288.db2.gz OHVHMYZBEXUNSW-CYBMUJFWSA-N -1 1 361.369 0.770 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579289671 1277114527 /nfs/dbraw/zinc/11/45/27/1277114527.db2.gz KTORVBHBYZVGPW-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579289671 1277114529 /nfs/dbraw/zinc/11/45/29/1277114529.db2.gz KTORVBHBYZVGPW-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433794 1277304566 /nfs/dbraw/zinc/30/45/66/1277304566.db2.gz PFVKNELBRKGKHF-VHSXEESVSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)n(C)c1C ZINC001579478735 1277383767 /nfs/dbraw/zinc/38/37/67/1277383767.db2.gz RHIJPICVRMBFOP-UHFFFAOYSA-N -1 1 353.346 0.574 20 30 FCEDMM COC(=O)c1ccc(OCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001579484670 1277393079 /nfs/dbraw/zinc/39/30/79/1277393079.db2.gz HYJBYRGLUCHHFO-UHFFFAOYSA-N -1 1 366.341 0.806 20 30 FCEDMM COC(=O)c1ccc(OCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001579484670 1277393088 /nfs/dbraw/zinc/39/30/88/1277393088.db2.gz HYJBYRGLUCHHFO-UHFFFAOYSA-N -1 1 366.341 0.806 20 30 FCEDMM COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C ZINC001579618174 1277662937 /nfs/dbraw/zinc/66/29/37/1277662937.db2.gz JDGIFDQKWUVITB-JSGCOSHPSA-N -1 1 357.418 0.427 20 30 FCEDMM CS(=O)(=O)C1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001580154998 1278021491 /nfs/dbraw/zinc/02/14/91/1278021491.db2.gz NLSWLOGDDOVPRH-UHFFFAOYSA-N -1 1 364.391 0.003 20 30 FCEDMM CSc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1C#N ZINC001580232439 1278051192 /nfs/dbraw/zinc/05/11/92/1278051192.db2.gz JQELXFGTJDQDLJ-SECBINFHSA-N -1 1 369.414 0.929 20 30 FCEDMM CSc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1C#N ZINC001580232440 1278052136 /nfs/dbraw/zinc/05/21/36/1278052136.db2.gz JQELXFGTJDQDLJ-VIFPVBQESA-N -1 1 369.414 0.929 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001603188663 1287324961 /nfs/dbraw/zinc/32/49/61/1287324961.db2.gz BDDHNZZHGIMFOT-KGLIPLIRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001603188663 1287324964 /nfs/dbraw/zinc/32/49/64/1287324964.db2.gz BDDHNZZHGIMFOT-KGLIPLIRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189968 1287326750 /nfs/dbraw/zinc/32/67/50/1287326750.db2.gz SQUTVLFHQROXLU-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189968 1287326755 /nfs/dbraw/zinc/32/67/55/1287326755.db2.gz SQUTVLFHQROXLU-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM Cc1cc(N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)n(C)n1 ZINC001580966746 1279168259 /nfs/dbraw/zinc/16/82/59/1279168259.db2.gz MHGWQXKYDMYYNQ-LLVKDONJSA-N -1 1 365.405 0.651 20 30 FCEDMM Cc1cc(N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)C2)n(C)n1 ZINC001580966746 1279168266 /nfs/dbraw/zinc/16/82/66/1279168266.db2.gz MHGWQXKYDMYYNQ-LLVKDONJSA-N -1 1 365.405 0.651 20 30 FCEDMM Cc1cc(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1C#N ZINC001581044741 1279284093 /nfs/dbraw/zinc/28/40/93/1279284093.db2.gz NSCOCISPJANXDW-UHFFFAOYSA-N -1 1 355.383 0.595 20 30 FCEDMM Cc1cccc(OC[C@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001581247138 1279523838 /nfs/dbraw/zinc/52/38/38/1279523838.db2.gz YPOWMQUSJZWQFK-LLVKDONJSA-N -1 1 352.358 0.689 20 30 FCEDMM CC(C)N(Cc1ccccc1)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001603330976 1287357646 /nfs/dbraw/zinc/35/76/46/1287357646.db2.gz PBFAYYXBDGFMFH-UHFFFAOYSA-N -1 1 365.401 0.954 20 30 FCEDMM Cc1[nH]nc(Br)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581390389 1279820073 /nfs/dbraw/zinc/82/00/73/1279820073.db2.gz SNSYNFXLSINDHK-UHFFFAOYSA-N -1 1 363.139 0.508 20 30 FCEDMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001581668042 1280375928 /nfs/dbraw/zinc/37/59/28/1280375928.db2.gz XGHIWIZXJZLIEL-WKJUBOCMSA-N -1 1 358.431 0.590 20 30 FCEDMM Cc1nsc(NC[C@@H](O)CN(C)C(=O)[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC001581706180 1280407897 /nfs/dbraw/zinc/40/78/97/1280407897.db2.gz FYINLAUZYIESNW-IONNQARKSA-N -1 1 350.408 0.023 20 30 FCEDMM Cn1c(=O)[nH]c(N[C@H]2Cc3ccc(C#N)cc3C2)c(-c2nn[n-]n2)c1=O ZINC001581748223 1280452129 /nfs/dbraw/zinc/45/21/29/1280452129.db2.gz SWCPTOXCSSFFRF-NSHDSACASA-N -1 1 350.342 0.117 20 30 FCEDMM N#CCSCC(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001581858315 1280607439 /nfs/dbraw/zinc/60/74/39/1280607439.db2.gz ABCKXDONXIVKMB-UHFFFAOYSA-N -1 1 371.430 0.166 20 30 FCEDMM N#CC1(CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)CCOCC1 ZINC001581856754 1280607911 /nfs/dbraw/zinc/60/79/11/1280607911.db2.gz BWMLDVYPFVYLEV-UHFFFAOYSA-N -1 1 369.385 0.983 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)nc1-c1nn[nH]n1 ZINC001581860017 1280611969 /nfs/dbraw/zinc/61/19/69/1280611969.db2.gz HDPYNLMHAROETF-WCBMZHEXSA-N -1 1 374.361 0.101 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ccc(N2CCOCC2)cc1 ZINC001581860527 1280612497 /nfs/dbraw/zinc/61/24/97/1280612497.db2.gz FMNLPCLTTLZUAV-UHFFFAOYSA-N -1 1 351.374 0.402 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@]2([C@@H]3CCCCO3)CCCO2)nc1-c1nn[nH]n1 ZINC001581860288 1280612625 /nfs/dbraw/zinc/61/26/25/1280612625.db2.gz TUWZPVNAZOBNDP-ZUZCIYMTSA-N -1 1 358.362 0.518 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864123 1280615656 /nfs/dbraw/zinc/61/56/56/1280615656.db2.gz HHTSUYRVQKQJLJ-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864123 1280615663 /nfs/dbraw/zinc/61/56/63/1280615663.db2.gz HHTSUYRVQKQJLJ-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864860 1280618823 /nfs/dbraw/zinc/61/88/23/1280618823.db2.gz RPVQXYSWRWJWAK-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864860 1280618830 /nfs/dbraw/zinc/61/88/30/1280618830.db2.gz RPVQXYSWRWJWAK-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccn1 ZINC001581866866 1280620706 /nfs/dbraw/zinc/62/07/06/1280620706.db2.gz YMFQNHRSPZQTQZ-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1F ZINC001581872136 1280626863 /nfs/dbraw/zinc/62/68/63/1280626863.db2.gz MBRSWBFTNYIEGK-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC001581871455 1280627218 /nfs/dbraw/zinc/62/72/18/1280627218.db2.gz VLKGVGHPPLWFJQ-ZDUSSCGKSA-N -1 1 361.369 0.558 20 30 FCEDMM N#Cc1nc(N2CCC(N3CCCOC3=O)CC2)cnc1-c1nnn[n-]1 ZINC001581878725 1280633909 /nfs/dbraw/zinc/63/39/09/1280633909.db2.gz YXRDCUWPYPHAFY-UHFFFAOYSA-N -1 1 355.362 0.339 20 30 FCEDMM N#Cc1nc(N2CCC(N3CCCOC3=O)CC2)cnc1-c1nn[n-]n1 ZINC001581878725 1280633917 /nfs/dbraw/zinc/63/39/17/1280633917.db2.gz YXRDCUWPYPHAFY-UHFFFAOYSA-N -1 1 355.362 0.339 20 30 FCEDMM N#Cc1nc(N2CC[C@](C(N)=O)(c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001581878372 1280634177 /nfs/dbraw/zinc/63/41/77/1280634177.db2.gz IQAIKKIGXZYFKN-QGZVFWFLSA-N -1 1 361.369 0.162 20 30 FCEDMM N#Cc1nc(N2CC[C@](C(N)=O)(c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001581878372 1280634188 /nfs/dbraw/zinc/63/41/88/1280634188.db2.gz IQAIKKIGXZYFKN-QGZVFWFLSA-N -1 1 361.369 0.162 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603603500 1287436446 /nfs/dbraw/zinc/43/64/46/1287436446.db2.gz PQYTUBGWALYUMM-GXTWGEPZSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603603500 1287436449 /nfs/dbraw/zinc/43/64/49/1287436449.db2.gz PQYTUBGWALYUMM-GXTWGEPZSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(CC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581880763 1280640260 /nfs/dbraw/zinc/64/02/60/1280640260.db2.gz UTYRLACOFKDDHT-QMMMGPOBSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(CC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581880763 1280640272 /nfs/dbraw/zinc/64/02/72/1280640272.db2.gz UTYRLACOFKDDHT-QMMMGPOBSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)cnc1-c1nnn[n-]1 ZINC001581880698 1280640961 /nfs/dbraw/zinc/64/09/61/1280640961.db2.gz SGLLWOPXVXZONL-YGRLFVJLSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)cnc1-c1nn[n-]n1 ZINC001581880698 1280640962 /nfs/dbraw/zinc/64/09/62/1280640962.db2.gz SGLLWOPXVXZONL-YGRLFVJLSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(C3CCCCC3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880612 1280641305 /nfs/dbraw/zinc/64/13/05/1280641305.db2.gz PXECKOOXWCMBJN-NSHDSACASA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(C3CCCCC3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880612 1280641307 /nfs/dbraw/zinc/64/13/07/1280641307.db2.gz PXECKOOXWCMBJN-NSHDSACASA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1nn[n-]n1 ZINC001581882583 1280643005 /nfs/dbraw/zinc/64/30/05/1280643005.db2.gz DHFZQDOKWRGUNT-SECBINFHSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1ncc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001581882441 1280643506 /nfs/dbraw/zinc/64/35/06/1280643506.db2.gz YYLJVOGUWJNEGV-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1ncc(NC[C@H](O)COc2cccc(F)c2)nc1-c1nn[n-]n1 ZINC001581882560 1280645714 /nfs/dbraw/zinc/64/57/14/1280645714.db2.gz CWFZAQCEUWEWOT-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1ncc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)nc1-c1nn[n-]n1 ZINC001581883131 1280646083 /nfs/dbraw/zinc/64/60/83/1280646083.db2.gz OZUWLPHXYYZVCE-JTQLQIEISA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)nc1-c1nn[n-]n1 ZINC001581883250 1280647731 /nfs/dbraw/zinc/64/77/31/1280647731.db2.gz STKYRHDGFRFMSI-LLVKDONJSA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1ncn(CCNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)n1 ZINC001581885944 1280653285 /nfs/dbraw/zinc/65/32/85/1280653285.db2.gz RQOOBKSEZQBIFP-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM N#Cc1ncn(CCNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)n1 ZINC001581885944 1280653297 /nfs/dbraw/zinc/65/32/97/1280653297.db2.gz RQOOBKSEZQBIFP-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001581955803 1280785675 /nfs/dbraw/zinc/78/56/75/1280785675.db2.gz FZNNRQJWDINZJY-OAHLLOKOSA-N -1 1 374.408 0.793 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001581955803 1280785686 /nfs/dbraw/zinc/78/56/86/1280785686.db2.gz FZNNRQJWDINZJY-OAHLLOKOSA-N -1 1 374.408 0.793 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001603643931 1287455107 /nfs/dbraw/zinc/45/51/07/1287455107.db2.gz WRUOMGHJNFCOQW-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001603643931 1287455112 /nfs/dbraw/zinc/45/51/12/1287455112.db2.gz WRUOMGHJNFCOQW-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](C)NC(=O)c1ccc(C#N)o1 ZINC001603643574 1287455710 /nfs/dbraw/zinc/45/57/10/1287455710.db2.gz REIORERLLZRUPG-DTWKUNHWSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](C)NC(=O)c1ccc(C#N)o1 ZINC001603643574 1287455714 /nfs/dbraw/zinc/45/57/14/1287455714.db2.gz REIORERLLZRUPG-DTWKUNHWSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685657 1287469292 /nfs/dbraw/zinc/46/92/92/1287469292.db2.gz AIKHQXWFYQZPRK-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685657 1287469295 /nfs/dbraw/zinc/46/92/95/1287469295.db2.gz AIKHQXWFYQZPRK-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C#C[C@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001588326532 1282418397 /nfs/dbraw/zinc/41/83/97/1282418397.db2.gz OKUDESHSNOQAOJ-QWRGUYRKSA-N -1 1 368.405 0.343 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588328347 1282419344 /nfs/dbraw/zinc/41/93/44/1282419344.db2.gz FAORFYSCGMSKQF-WDEREUQCSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328347 1282419348 /nfs/dbraw/zinc/41/93/48/1282419348.db2.gz FAORFYSCGMSKQF-WDEREUQCSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588327518 1282419464 /nfs/dbraw/zinc/41/94/64/1282419464.db2.gz KPAHAEGGTCEJAD-SECBINFHSA-N -1 1 350.360 0.855 20 30 FCEDMM C#CCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC001588335629 1282426822 /nfs/dbraw/zinc/42/68/22/1282426822.db2.gz SPPMWSZPSJUSLF-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335890 1282429231 /nfs/dbraw/zinc/42/92/31/1282429231.db2.gz BOSKKNRZYZMXJQ-KBPBESRZSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588339804 1282433881 /nfs/dbraw/zinc/43/38/81/1282433881.db2.gz WHIVDMAYTTZKFE-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588339804 1282433886 /nfs/dbraw/zinc/43/38/86/1282433886.db2.gz WHIVDMAYTTZKFE-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588344451 1282440455 /nfs/dbraw/zinc/44/04/55/1282440455.db2.gz PZVHRROMFKCMDH-IMRBUKKESA-N -1 1 352.402 0.401 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588344451 1282440460 /nfs/dbraw/zinc/44/04/60/1282440460.db2.gz PZVHRROMFKCMDH-IMRBUKKESA-N -1 1 352.402 0.401 20 30 FCEDMM C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588351037 1282445742 /nfs/dbraw/zinc/44/57/42/1282445742.db2.gz ZCEKIMQCXCGBTE-LLVKDONJSA-N -1 1 354.349 0.820 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588354836 1282449598 /nfs/dbraw/zinc/44/95/98/1282449598.db2.gz AXMHSDQOCZRYKO-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588354992 1282450978 /nfs/dbraw/zinc/45/09/78/1282450978.db2.gz CVXGCCJVTYOTFF-QWHCGFSZSA-N -1 1 372.433 0.060 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588355185 1282452558 /nfs/dbraw/zinc/45/25/58/1282452558.db2.gz FXCVTAMMCVJNJL-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588355185 1282452568 /nfs/dbraw/zinc/45/25/68/1282452568.db2.gz FXCVTAMMCVJNJL-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588355336 1282453529 /nfs/dbraw/zinc/45/35/29/1282453529.db2.gz GYLKKIPABVPEBM-QWRGUYRKSA-N -1 1 361.431 0.683 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355802 1282454578 /nfs/dbraw/zinc/45/45/78/1282454578.db2.gz MUAQCYZSSMVUEK-RYUDHWBXSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355802 1282454582 /nfs/dbraw/zinc/45/45/82/1282454582.db2.gz MUAQCYZSSMVUEK-RYUDHWBXSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588355560 1282455176 /nfs/dbraw/zinc/45/51/76/1282455176.db2.gz JUDYTGONCYMUEF-HTQZYQBOSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588355560 1282455179 /nfs/dbraw/zinc/45/51/79/1282455179.db2.gz JUDYTGONCYMUEF-HTQZYQBOSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001588356267 1282458820 /nfs/dbraw/zinc/45/88/20/1282458820.db2.gz AYBNSIWOJQNNNI-NSHDSACASA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001588356267 1282458825 /nfs/dbraw/zinc/45/88/25/1282458825.db2.gz AYBNSIWOJQNNNI-NSHDSACASA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356548 1282460742 /nfs/dbraw/zinc/46/07/42/1282460742.db2.gz DIIJGDCCIYNDIV-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356548 1282460749 /nfs/dbraw/zinc/46/07/49/1282460749.db2.gz DIIJGDCCIYNDIV-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356925 1282462581 /nfs/dbraw/zinc/46/25/81/1282462581.db2.gz HXROVDKIXORKJT-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356925 1282462587 /nfs/dbraw/zinc/46/25/87/1282462587.db2.gz HXROVDKIXORKJT-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588357065 1282462717 /nfs/dbraw/zinc/46/27/17/1282462717.db2.gz JAMPRNOIPKWSFU-LBPRGKRZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588357065 1282462722 /nfs/dbraw/zinc/46/27/22/1282462722.db2.gz JAMPRNOIPKWSFU-LBPRGKRZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001588357543 1282464488 /nfs/dbraw/zinc/46/44/88/1282464488.db2.gz NKGOAEDESCHHFU-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001588357543 1282464489 /nfs/dbraw/zinc/46/44/89/1282464489.db2.gz NKGOAEDESCHHFU-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001588357367 1282465540 /nfs/dbraw/zinc/46/55/40/1282465540.db2.gz LZFKXKJYISRKKO-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001588357367 1282465545 /nfs/dbraw/zinc/46/55/45/1282465545.db2.gz LZFKXKJYISRKKO-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C/CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358006 1282467602 /nfs/dbraw/zinc/46/76/02/1282467602.db2.gz RUYSIKMSTRMRGR-FYJFLYSWSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C/CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358006 1282467604 /nfs/dbraw/zinc/46/76/04/1282467604.db2.gz RUYSIKMSTRMRGR-FYJFLYSWSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588358288 1282469062 /nfs/dbraw/zinc/46/90/62/1282469062.db2.gz QHPVIQXNYRUMQL-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588358040 1282469556 /nfs/dbraw/zinc/46/95/56/1282469556.db2.gz ORUHKIHGTXEECY-NWDGAFQWSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588358040 1282469560 /nfs/dbraw/zinc/46/95/60/1282469560.db2.gz ORUHKIHGTXEECY-NWDGAFQWSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358557 1282470521 /nfs/dbraw/zinc/47/05/21/1282470521.db2.gz ZCHIJZKFMPVCLS-SYTKJHMZSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358557 1282470528 /nfs/dbraw/zinc/47/05/28/1282470528.db2.gz ZCHIJZKFMPVCLS-SYTKJHMZSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588358516 1282471449 /nfs/dbraw/zinc/47/14/49/1282471449.db2.gz YNEYNRHWRXYJQG-LLVKDONJSA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588358516 1282471452 /nfs/dbraw/zinc/47/14/52/1282471452.db2.gz YNEYNRHWRXYJQG-LLVKDONJSA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588359362 1282475093 /nfs/dbraw/zinc/47/50/93/1282475093.db2.gz MCCWAAGQHPHYKY-AWEZNQCLSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588359362 1282475097 /nfs/dbraw/zinc/47/50/97/1282475097.db2.gz MCCWAAGQHPHYKY-AWEZNQCLSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588360059 1282475901 /nfs/dbraw/zinc/47/59/01/1282475901.db2.gz HDTFHFGURNNMJV-UHFFFAOYSA-N -1 1 372.433 0.015 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588359823 1282476021 /nfs/dbraw/zinc/47/60/21/1282476021.db2.gz CMYUJFHSSQWBSL-RWMBFGLXSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588359717 1282477157 /nfs/dbraw/zinc/47/71/57/1282477157.db2.gz XAPSOOUDVPMVDY-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCO[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001588359710 1282477173 /nfs/dbraw/zinc/47/71/73/1282477173.db2.gz ALRMBUFGFXANIO-NSHDSACASA-N -1 1 352.358 0.483 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001588360294 1282479232 /nfs/dbraw/zinc/47/92/32/1282479232.db2.gz NGEOVMHBDLSSQO-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001588360294 1282479234 /nfs/dbraw/zinc/47/92/34/1282479234.db2.gz NGEOVMHBDLSSQO-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588361943 1282485466 /nfs/dbraw/zinc/48/54/66/1282485466.db2.gz UWRXMYOYZSANTM-ZDUSSCGKSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588361943 1282485470 /nfs/dbraw/zinc/48/54/70/1282485470.db2.gz UWRXMYOYZSANTM-ZDUSSCGKSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588361544 1282485555 /nfs/dbraw/zinc/48/55/55/1282485555.db2.gz PEONVNVGGXMROG-SNVBAGLBSA-N -1 1 363.447 0.612 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362011 1282487464 /nfs/dbraw/zinc/48/74/64/1282487464.db2.gz VTIULCKPQAFHQN-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362011 1282487469 /nfs/dbraw/zinc/48/74/69/1282487469.db2.gz VTIULCKPQAFHQN-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588362176 1282487570 /nfs/dbraw/zinc/48/75/70/1282487570.db2.gz XQRQJENIZHSHSP-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588362176 1282487572 /nfs/dbraw/zinc/48/75/72/1282487572.db2.gz XQRQJENIZHSHSP-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCn1ccc(CN(CC)S(=O)(=O)c2cccnc2-c2nn[n-]n2)n1 ZINC001588364137 1282489848 /nfs/dbraw/zinc/48/98/48/1282489848.db2.gz WDAYDRBGGGCVND-UHFFFAOYSA-N -1 1 372.414 0.302 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001588364869 1282491264 /nfs/dbraw/zinc/49/12/64/1282491264.db2.gz OEEGFTFBZXUDCN-IUODEOHRSA-N -1 1 374.408 0.633 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001588364437 1282491670 /nfs/dbraw/zinc/49/16/70/1282491670.db2.gz FIGZBQXEFYVYCD-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001588364437 1282491676 /nfs/dbraw/zinc/49/16/76/1282491676.db2.gz FIGZBQXEFYVYCD-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001588365132 1282492222 /nfs/dbraw/zinc/49/22/22/1282492222.db2.gz PDTOJKWCVPLTIA-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001588365132 1282492225 /nfs/dbraw/zinc/49/22/25/1282492225.db2.gz PDTOJKWCVPLTIA-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588365239 1282492236 /nfs/dbraw/zinc/49/22/36/1282492236.db2.gz QPWWHZXDZUHJBW-UHFFFAOYSA-N -1 1 362.397 0.634 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nnn[n-]2)nc1 ZINC001588368067 1282492937 /nfs/dbraw/zinc/49/29/37/1282492937.db2.gz PSNPLXPQNKIFDF-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nn[n-]n2)nc1 ZINC001588368067 1282492945 /nfs/dbraw/zinc/49/29/45/1282492945.db2.gz PSNPLXPQNKIFDF-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588371336 1282493261 /nfs/dbraw/zinc/49/32/61/1282493261.db2.gz DBMXEOVFRMXKJM-ARJAWSKDSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1ccc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588371336 1282493267 /nfs/dbraw/zinc/49/32/67/1282493267.db2.gz DBMXEOVFRMXKJM-ARJAWSKDSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001588379603 1282495942 /nfs/dbraw/zinc/49/59/42/1282495942.db2.gz JMFHIDYXCRMBPE-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001588379603 1282495945 /nfs/dbraw/zinc/49/59/45/1282495945.db2.gz JMFHIDYXCRMBPE-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)c1 ZINC001588381185 1282498285 /nfs/dbraw/zinc/49/82/85/1282498285.db2.gz ULSIKPHGIVTFLJ-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)c1 ZINC001588381185 1282498289 /nfs/dbraw/zinc/49/82/89/1282498289.db2.gz ULSIKPHGIVTFLJ-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1)OCC ZINC001588402064 1282499302 /nfs/dbraw/zinc/49/93/02/1282499302.db2.gz BWUSLZHZQYIVLF-ZDUSSCGKSA-N -1 1 360.422 0.865 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1)OCC ZINC001588402064 1282499308 /nfs/dbraw/zinc/49/93/08/1282499308.db2.gz BWUSLZHZQYIVLF-ZDUSSCGKSA-N -1 1 360.422 0.865 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588403089 1282500139 /nfs/dbraw/zinc/50/01/39/1282500139.db2.gz UNYOOBVSTKJTSA-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588403089 1282500147 /nfs/dbraw/zinc/50/01/47/1282500147.db2.gz UNYOOBVSTKJTSA-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001588402913 1282500741 /nfs/dbraw/zinc/50/07/41/1282500741.db2.gz PIMHXERPWRVKBR-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588410562 1282502167 /nfs/dbraw/zinc/50/21/67/1282502167.db2.gz RWXSPVRCLFTOFN-LBPRGKRZSA-N -1 1 360.422 0.553 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588410562 1282502178 /nfs/dbraw/zinc/50/21/78/1282502178.db2.gz RWXSPVRCLFTOFN-LBPRGKRZSA-N -1 1 360.422 0.553 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588415054 1282504223 /nfs/dbraw/zinc/50/42/23/1282504223.db2.gz BEAVRCPYKMHKNR-RYUDHWBXSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588417833 1282505018 /nfs/dbraw/zinc/50/50/18/1282505018.db2.gz HXYXGSXILIEDKI-CYBMUJFWSA-N -1 1 372.433 0.643 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588417833 1282505026 /nfs/dbraw/zinc/50/50/26/1282505026.db2.gz HXYXGSXILIEDKI-CYBMUJFWSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588476885 1282517522 /nfs/dbraw/zinc/51/75/22/1282517522.db2.gz YITJFMJBIZJHLR-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588476885 1282517537 /nfs/dbraw/zinc/51/75/37/1282517537.db2.gz YITJFMJBIZJHLR-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588476752 1282517852 /nfs/dbraw/zinc/51/78/52/1282517852.db2.gz ZJUPKHSKLDTZHW-LLVKDONJSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588476752 1282517858 /nfs/dbraw/zinc/51/78/58/1282517858.db2.gz ZJUPKHSKLDTZHW-LLVKDONJSA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588493342 1282524339 /nfs/dbraw/zinc/52/43/39/1282524339.db2.gz CQJJTZNVUUEAOY-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588493342 1282524352 /nfs/dbraw/zinc/52/43/52/1282524352.db2.gz CQJJTZNVUUEAOY-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588496581 1282525722 /nfs/dbraw/zinc/52/57/22/1282525722.db2.gz SQMYIFAWYRJPOS-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588496843 1282526124 /nfs/dbraw/zinc/52/61/24/1282526124.db2.gz UYRGGNPFJIAJSA-SJKOYZFVSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588496843 1282526130 /nfs/dbraw/zinc/52/61/30/1282526130.db2.gz UYRGGNPFJIAJSA-SJKOYZFVSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588496283 1282526609 /nfs/dbraw/zinc/52/66/09/1282526609.db2.gz ORBIXGRQGPXSAG-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588496283 1282526621 /nfs/dbraw/zinc/52/66/21/1282526621.db2.gz ORBIXGRQGPXSAG-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588497247 1282527294 /nfs/dbraw/zinc/52/72/94/1282527294.db2.gz YKTSSGPECSQIEK-XSLLRJJBSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588497247 1282527300 /nfs/dbraw/zinc/52/73/00/1282527300.db2.gz YKTSSGPECSQIEK-XSLLRJJBSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588499920 1282530572 /nfs/dbraw/zinc/53/05/72/1282530572.db2.gz ORTISFZLSJHBIT-MRXNPFEDSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588499920 1282530583 /nfs/dbraw/zinc/53/05/83/1282530583.db2.gz ORTISFZLSJHBIT-MRXNPFEDSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588500231 1282532486 /nfs/dbraw/zinc/53/24/86/1282532486.db2.gz SZXPSYSIVPSZTG-MEDUHNTESA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588500231 1282532490 /nfs/dbraw/zinc/53/24/90/1282532490.db2.gz SZXPSYSIVPSZTG-MEDUHNTESA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588500290 1282532512 /nfs/dbraw/zinc/53/25/12/1282532512.db2.gz UWIZJMCOSOVCKY-DIFFPNOSSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588500290 1282532521 /nfs/dbraw/zinc/53/25/21/1282532521.db2.gz UWIZJMCOSOVCKY-DIFFPNOSSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588500144 1282532533 /nfs/dbraw/zinc/53/25/33/1282532533.db2.gz RLCBPABAOIIDHG-QGZVFWFLSA-N -1 1 372.433 0.056 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588501054 1282534589 /nfs/dbraw/zinc/53/45/89/1282534589.db2.gz ISGQZLRLIDEOGZ-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588501054 1282534602 /nfs/dbraw/zinc/53/46/02/1282534602.db2.gz ISGQZLRLIDEOGZ-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588501746 1282536647 /nfs/dbraw/zinc/53/66/47/1282536647.db2.gz OGCINFGVOWPUGV-QFYYESIMSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588501746 1282536654 /nfs/dbraw/zinc/53/66/54/1282536654.db2.gz OGCINFGVOWPUGV-QFYYESIMSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501964 1282536789 /nfs/dbraw/zinc/53/67/89/1282536789.db2.gz PTMIKTBQBNZTHZ-INIZCTEOSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501964 1282536798 /nfs/dbraw/zinc/53/67/98/1282536798.db2.gz PTMIKTBQBNZTHZ-INIZCTEOSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588501994 1282537748 /nfs/dbraw/zinc/53/77/48/1282537748.db2.gz PUQMXBZXOCXEIS-SJORKVTESA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588501994 1282537757 /nfs/dbraw/zinc/53/77/57/1282537757.db2.gz PUQMXBZXOCXEIS-SJORKVTESA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588503218 1282540369 /nfs/dbraw/zinc/54/03/69/1282540369.db2.gz XISVZUVXRQPJON-QFSBIZTOSA-N -1 1 372.433 0.490 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588503218 1282540378 /nfs/dbraw/zinc/54/03/78/1282540378.db2.gz XISVZUVXRQPJON-QFSBIZTOSA-N -1 1 372.433 0.490 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588503511 1282540732 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C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588533169 1282560677 /nfs/dbraw/zinc/56/06/77/1282560677.db2.gz QEZVJIBMKSUUKF-LLVKDONJSA-N -1 1 360.422 0.456 20 30 FCEDMM C=CC[C@H](C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588529561 1282561254 /nfs/dbraw/zinc/56/12/54/1282561254.db2.gz BZQZUFYGDDRMME-AWEZNQCLSA-N -1 1 364.413 0.967 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588538669 1282564039 /nfs/dbraw/zinc/56/40/39/1282564039.db2.gz VCUYSRYAUAGKOZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588538669 1282564051 /nfs/dbraw/zinc/56/40/51/1282564051.db2.gz VCUYSRYAUAGKOZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(CC=C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588542050 1282564701 /nfs/dbraw/zinc/56/47/01/1282564701.db2.gz WCTXCFNNZHLEGF-ZDUSSCGKSA-N -1 1 354.418 0.860 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001588553224 1282565894 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C=CCCOCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588616549 1282596079 /nfs/dbraw/zinc/59/60/79/1282596079.db2.gz JXLKZBOHIBHFBL-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588616348 1282596329 /nfs/dbraw/zinc/59/63/29/1282596329.db2.gz DOSKTNLPGYJJEO-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588616348 1282596338 /nfs/dbraw/zinc/59/63/38/1282596338.db2.gz DOSKTNLPGYJJEO-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588616347 1282597274 /nfs/dbraw/zinc/59/72/74/1282597274.db2.gz DOSKTNLPGYJJEO-INIZCTEOSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588616347 1282597282 /nfs/dbraw/zinc/59/72/82/1282597282.db2.gz DOSKTNLPGYJJEO-INIZCTEOSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588616666 1282597995 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FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588721090 1282664506 /nfs/dbraw/zinc/66/45/06/1282664506.db2.gz BOBHIYGKBNRLMU-SCRDCRAPSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588721487 1282666651 /nfs/dbraw/zinc/66/66/51/1282666651.db2.gz JFEYFGKRWHXPLF-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588721487 1282666665 /nfs/dbraw/zinc/66/66/65/1282666665.db2.gz JFEYFGKRWHXPLF-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588721763 1282668755 /nfs/dbraw/zinc/66/87/55/1282668755.db2.gz MMADFIDJXWNDTF-BZPMIXESSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588721763 1282668763 /nfs/dbraw/zinc/66/87/63/1282668763.db2.gz MMADFIDJXWNDTF-BZPMIXESSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588724314 1282670367 /nfs/dbraw/zinc/67/03/67/1282670367.db2.gz YAPNQUAEWUMBPH-LOWVWBTDSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588724314 1282670376 /nfs/dbraw/zinc/67/03/76/1282670376.db2.gz YAPNQUAEWUMBPH-LOWVWBTDSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588723236 1282671024 /nfs/dbraw/zinc/67/10/24/1282671024.db2.gz IWSIRKQFTPBQLG-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588723236 1282671034 /nfs/dbraw/zinc/67/10/34/1282671034.db2.gz IWSIRKQFTPBQLG-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588726012 1282674032 /nfs/dbraw/zinc/67/40/32/1282674032.db2.gz QUXLQTVALCIJQV-WZRBSPASSA-N -1 1 372.433 0.727 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588726012 1282674046 /nfs/dbraw/zinc/67/40/46/1282674046.db2.gz QUXLQTVALCIJQV-WZRBSPASSA-N -1 1 372.433 0.727 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588726328 1282674374 /nfs/dbraw/zinc/67/43/74/1282674374.db2.gz YXANYALDCQCMKB-SCRDCRAPSA-N -1 1 370.417 0.251 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588726328 1282674391 /nfs/dbraw/zinc/67/43/91/1282674391.db2.gz YXANYALDCQCMKB-SCRDCRAPSA-N -1 1 370.417 0.251 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588744099 1282685171 /nfs/dbraw/zinc/68/51/71/1282685171.db2.gz QTKOKTVZTWRFHC-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001588744043 1282686318 /nfs/dbraw/zinc/68/63/18/1282686318.db2.gz PYEQBPDXTBKPHD-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001588744043 1282686331 /nfs/dbraw/zinc/68/63/31/1282686331.db2.gz PYEQBPDXTBKPHD-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589017689 1282770164 /nfs/dbraw/zinc/77/01/64/1282770164.db2.gz GXBBPEKPCVIJJY-QMMMGPOBSA-N -1 1 357.309 0.699 20 30 FCEDMM C[C@@H](C(=O)OCCOc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029504 1282778817 /nfs/dbraw/zinc/77/88/17/1282778817.db2.gz CHAQGZJAAIZPQM-JTQLQIEISA-N -1 1 354.330 0.513 20 30 FCEDMM CC(C)(C)C#CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001589068586 1282792261 /nfs/dbraw/zinc/79/22/61/1282792261.db2.gz TYMVNVYQOUXCBK-GFCCVEGCSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589158288 1282811606 /nfs/dbraw/zinc/81/16/06/1282811606.db2.gz WMMVENIBALLWMN-ZWNOBZJWSA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589158288 1282811612 /nfs/dbraw/zinc/81/16/12/1282811612.db2.gz WMMVENIBALLWMN-ZWNOBZJWSA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589158316 1282812934 /nfs/dbraw/zinc/81/29/34/1282812934.db2.gz XAVOHAYCDNCFQW-VHSXEESVSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589379839 1282853313 /nfs/dbraw/zinc/85/33/13/1282853313.db2.gz CJMGIGYIZLRBDQ-CYBMUJFWSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589379839 1282853324 /nfs/dbraw/zinc/85/33/24/1282853324.db2.gz CJMGIGYIZLRBDQ-CYBMUJFWSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001589380010 1282853830 /nfs/dbraw/zinc/85/38/30/1282853830.db2.gz JFQMUCSEWLFZNA-UHFFFAOYSA-N -1 1 358.406 0.203 20 30 FCEDMM CC(C)C#CC(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001589380010 1282853844 /nfs/dbraw/zinc/85/38/44/1282853844.db2.gz JFQMUCSEWLFZNA-UHFFFAOYSA-N -1 1 358.406 0.203 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001589384871 1282859451 /nfs/dbraw/zinc/85/94/51/1282859451.db2.gz RMHWKGMAMJOJBW-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001589384871 1282859457 /nfs/dbraw/zinc/85/94/57/1282859457.db2.gz RMHWKGMAMJOJBW-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589384476 1282860023 /nfs/dbraw/zinc/86/00/23/1282860023.db2.gz HNLCVGTWCQRPDC-CYBMUJFWSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589384476 1282860033 /nfs/dbraw/zinc/86/00/33/1282860033.db2.gz HNLCVGTWCQRPDC-CYBMUJFWSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001589387051 1282862352 /nfs/dbraw/zinc/86/23/52/1282862352.db2.gz GJUNHOKRMYKOHJ-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001589387051 1282862362 /nfs/dbraw/zinc/86/23/62/1282862362.db2.gz GJUNHOKRMYKOHJ-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589387994 1282868028 /nfs/dbraw/zinc/86/80/28/1282868028.db2.gz RJPMNPCBJASCJT-QMMMGPOBSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589387994 1282868032 /nfs/dbraw/zinc/86/80/32/1282868032.db2.gz RJPMNPCBJASCJT-QMMMGPOBSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001589388123 1282868055 /nfs/dbraw/zinc/86/80/55/1282868055.db2.gz UUGNFOYMXUWAAX-LBPRGKRZSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)NCCCCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001589390021 1282871304 /nfs/dbraw/zinc/87/13/04/1282871304.db2.gz XIKTZODEGPPNOF-UHFFFAOYSA-N -1 1 356.434 0.827 20 30 FCEDMM N#Cc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cnc1C(F)(F)F ZINC001642263593 1282995757 /nfs/dbraw/zinc/99/57/57/1282995757.db2.gz IQWUUJMAGPTWHP-VIFPVBQESA-N -1 1 353.264 0.699 20 30 FCEDMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589906141 1283117842 /nfs/dbraw/zinc/11/78/42/1283117842.db2.gz KALZSYBUVJEJAD-JTQLQIEISA-N -1 1 374.368 0.739 20 30 FCEDMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589906141 1283117845 /nfs/dbraw/zinc/11/78/45/1283117845.db2.gz KALZSYBUVJEJAD-JTQLQIEISA-N -1 1 374.368 0.739 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987284 1283157336 /nfs/dbraw/zinc/15/73/36/1283157336.db2.gz HNUUJQINIUBWFB-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987284 1283157341 /nfs/dbraw/zinc/15/73/41/1283157341.db2.gz HNUUJQINIUBWFB-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987160 1283157646 /nfs/dbraw/zinc/15/76/46/1283157646.db2.gz GUFJMICHOGKENH-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987160 1283157647 /nfs/dbraw/zinc/15/76/47/1283157647.db2.gz GUFJMICHOGKENH-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@]1(C#N)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001590055585 1283189768 /nfs/dbraw/zinc/18/97/68/1283189768.db2.gz UVPDVYBZQVVKAL-CYBMUJFWSA-N -1 1 363.359 0.699 20 30 FCEDMM CC1(C)C(=O)N[C@@H]1C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590072405 1283202824 /nfs/dbraw/zinc/20/28/24/1283202824.db2.gz HMOCPFWRCZWXQK-CYBMUJFWSA-N -1 1 353.390 0.269 20 30 FCEDMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135125 1283236617 /nfs/dbraw/zinc/23/66/17/1283236617.db2.gz HVKGGQDVNWBPMA-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135125 1283236621 /nfs/dbraw/zinc/23/66/21/1283236621.db2.gz HVKGGQDVNWBPMA-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CSCC#N ZINC001590180479 1283286083 /nfs/dbraw/zinc/28/60/83/1283286083.db2.gz UOJYIEGJBWJITM-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CSCC#N ZINC001590180479 1283286089 /nfs/dbraw/zinc/28/60/89/1283286089.db2.gz UOJYIEGJBWJITM-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590283341 1283410482 /nfs/dbraw/zinc/41/04/82/1283410482.db2.gz MUSYKQMGSMSFSI-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590283341 1283410490 /nfs/dbraw/zinc/41/04/90/1283410490.db2.gz MUSYKQMGSMSFSI-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590291247 1283421386 /nfs/dbraw/zinc/42/13/86/1283421386.db2.gz BATPQVUDSASYLX-WDEREUQCSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590291247 1283421391 /nfs/dbraw/zinc/42/13/91/1283421391.db2.gz BATPQVUDSASYLX-WDEREUQCSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)o1 ZINC001590318804 1283463249 /nfs/dbraw/zinc/46/32/49/1283463249.db2.gz XKDFXFLBNXAXKD-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)o1 ZINC001590318804 1283463258 /nfs/dbraw/zinc/46/32/58/1283463258.db2.gz XKDFXFLBNXAXKD-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM CC[C@@H](CC#N)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590420292 1283530841 /nfs/dbraw/zinc/53/08/41/1283530841.db2.gz WAKOWYOOHNXRPQ-VIFPVBQESA-N -1 1 359.394 0.565 20 30 FCEDMM CC[C@@H](CC#N)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590420292 1283530846 /nfs/dbraw/zinc/53/08/46/1283530846.db2.gz WAKOWYOOHNXRPQ-VIFPVBQESA-N -1 1 359.394 0.565 20 30 FCEDMM CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001590944674 1283993728 /nfs/dbraw/zinc/99/37/28/1283993728.db2.gz UAHGVSAMPNWSBD-HNNXBMFYSA-N -1 1 354.353 0.982 20 30 FCEDMM CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001590944674 1283993737 /nfs/dbraw/zinc/99/37/37/1283993737.db2.gz UAHGVSAMPNWSBD-HNNXBMFYSA-N -1 1 354.353 0.982 20 30 FCEDMM CCn1ncc(-c2nn[nH]n2)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001590965713 1284021221 /nfs/dbraw/zinc/02/12/21/1284021221.db2.gz HETKCBNMJVABGU-UHFFFAOYSA-N -1 1 362.350 0.895 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591055842 1284114134 /nfs/dbraw/zinc/11/41/34/1284114134.db2.gz IPBUXGJYIYNPCM-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001591075825 1284142396 /nfs/dbraw/zinc/14/23/96/1284142396.db2.gz PGDFOMLOTDWIQV-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001591075825 1284142401 /nfs/dbraw/zinc/14/24/01/1284142401.db2.gz PGDFOMLOTDWIQV-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001591159043 1284235547 /nfs/dbraw/zinc/23/55/47/1284235547.db2.gz JVZZIEDGWQWKSP-UHFFFAOYSA-N -1 1 357.378 0.584 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001591159043 1284235558 /nfs/dbraw/zinc/23/55/58/1284235558.db2.gz JVZZIEDGWQWKSP-UHFFFAOYSA-N -1 1 357.378 0.584 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OC)c(C#N)c2)c1 ZINC001591285853 1284444396 /nfs/dbraw/zinc/44/43/96/1284444396.db2.gz QSYNXYHVSIGPQQ-UHFFFAOYSA-N -1 1 366.337 0.744 20 30 FCEDMM COC(=O)c1ccc(NCCNc2ncccc2C#N)c(-c2nnn[n-]2)n1 ZINC001591296248 1284451015 /nfs/dbraw/zinc/45/10/15/1284451015.db2.gz ONLNHVOUBKTMMI-UHFFFAOYSA-N -1 1 365.357 0.839 20 30 FCEDMM COC(=O)c1ccc(NCCNc2ncccc2C#N)c(-c2nn[n-]n2)n1 ZINC001591296248 1284451019 /nfs/dbraw/zinc/45/10/19/1284451019.db2.gz ONLNHVOUBKTMMI-UHFFFAOYSA-N -1 1 365.357 0.839 20 30 FCEDMM COc1cc(C#N)ccc1OCC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591508679 1284696104 /nfs/dbraw/zinc/69/61/04/1284696104.db2.gz CDLJACWGKFXPAV-UHFFFAOYSA-N -1 1 354.330 0.796 20 30 FCEDMM CN(CC(=O)N(C)C1CCCCC1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001604708314 1287744520 /nfs/dbraw/zinc/74/45/20/1287744520.db2.gz JYTMDZFNXVWEBV-UHFFFAOYSA-N -1 1 355.406 0.756 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(CCNC(=O)CSCC#N)C2CC2)n1 ZINC001591884264 1284972982 /nfs/dbraw/zinc/97/29/82/1284972982.db2.gz UPZHZICXWWIMFB-UHFFFAOYSA-N -1 1 373.446 0.307 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(CCNC(=O)CSCC#N)C2CC2)n1 ZINC001591884264 1284972990 /nfs/dbraw/zinc/97/29/90/1284972990.db2.gz UPZHZICXWWIMFB-UHFFFAOYSA-N -1 1 373.446 0.307 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC001591888419 1284978413 /nfs/dbraw/zinc/97/84/13/1284978413.db2.gz MAUGTAJSVHSVAI-LLVKDONJSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC001591888419 1284978420 /nfs/dbraw/zinc/97/84/20/1284978420.db2.gz MAUGTAJSVHSVAI-LLVKDONJSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(C)n(N=Cc2cn(C[C@@H]3CCCO3)nn2)c(=O)c1-c1nn[n-]n1 ZINC001591957379 1285025844 /nfs/dbraw/zinc/02/58/44/1285025844.db2.gz XAZLFKYEAFQQIO-ZDUSSCGKSA-N -1 1 369.389 0.298 20 30 FCEDMM CN(CCCNc1nccnc1-c1nnn[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001604755767 1287764695 /nfs/dbraw/zinc/76/46/95/1287764695.db2.gz PDPOPQVGMLZNRV-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1nccnc1-c1nn[n-]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001604755767 1287764698 /nfs/dbraw/zinc/76/46/98/1287764698.db2.gz PDPOPQVGMLZNRV-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3ccc(C)c(-c4nnn[n-]4)n3)CC2)c1C#N ZINC001592176912 1285170656 /nfs/dbraw/zinc/17/06/56/1285170656.db2.gz ZUWMXNVZGPLRSJ-UHFFFAOYSA-N -1 1 364.417 0.810 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3ccc(C)c(-c4nn[n-]n4)n3)CC2)c1C#N ZINC001592176912 1285170661 /nfs/dbraw/zinc/17/06/61/1285170661.db2.gz ZUWMXNVZGPLRSJ-UHFFFAOYSA-N -1 1 364.417 0.810 20 30 FCEDMM Cc1ccccc1C[C@@H](C)NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001592257371 1285199911 /nfs/dbraw/zinc/19/99/11/1285199911.db2.gz VAUXJDFNVDGFCC-LLVKDONJSA-N -1 1 365.401 0.573 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NC3=NO[C@@H](C)C3)CC2)o1 ZINC001592337932 1285246333 /nfs/dbraw/zinc/24/63/33/1285246333.db2.gz GERPNSJXKDKDDB-QMMMGPOBSA-N -1 1 360.378 0.618 20 30 FCEDMM Cc1nn(-c2ccccc2)c(Cn2c(N)nc(C#N)c2C#N)c1-c1nn[n-]n1 ZINC001592427184 1285356597 /nfs/dbraw/zinc/35/65/97/1285356597.db2.gz SMOXSFHGSBQMJI-UHFFFAOYSA-N -1 1 371.368 0.931 20 30 FCEDMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)c1-c1nn[n-]n1 ZINC001592478073 1285417865 /nfs/dbraw/zinc/41/78/65/1285417865.db2.gz RGCSBAHTAKAPBQ-RYUDHWBXSA-N -1 1 355.427 0.835 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC001592495992 1285426768 /nfs/dbraw/zinc/42/67/68/1285426768.db2.gz RYVSGRGKTIHBCU-UHFFFAOYSA-N -1 1 355.362 0.650 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC001592495992 1285426774 /nfs/dbraw/zinc/42/67/74/1285426774.db2.gz RYVSGRGKTIHBCU-UHFFFAOYSA-N -1 1 355.362 0.650 20 30 FCEDMM Cn1cc([C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cn1 ZINC001592568847 1285483531 /nfs/dbraw/zinc/48/35/31/1285483531.db2.gz AXQFBNFGWLOLFD-JQWIXIFHSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1cc([C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cn1 ZINC001592568847 1285483537 /nfs/dbraw/zinc/48/35/37/1285483537.db2.gz AXQFBNFGWLOLFD-JQWIXIFHSA-N -1 1 352.362 0.594 20 30 FCEDMM N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592671201 1285566659 /nfs/dbraw/zinc/56/66/59/1285566659.db2.gz APUSEJCIPHRDOK-MRVPVSSYSA-N -1 1 354.392 0.635 20 30 FCEDMM N#CC1CCC(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592671736 1285566926 /nfs/dbraw/zinc/56/69/26/1285566926.db2.gz VUJNSCLBRQLAFT-UHFFFAOYSA-N -1 1 354.374 0.646 20 30 FCEDMM N#CC1CCC(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592671736 1285566933 /nfs/dbraw/zinc/56/69/33/1285566933.db2.gz VUJNSCLBRQLAFT-UHFFFAOYSA-N -1 1 354.374 0.646 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H](n2cccn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001592683093 1285580578 /nfs/dbraw/zinc/58/05/78/1285580578.db2.gz KHZFHLZLVXDTPP-ZETCQYMHSA-N -1 1 366.267 0.790 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC2CCC3(CC2)OCCO3)nc1-c1nn[nH]n1 ZINC001592683513 1285581019 /nfs/dbraw/zinc/58/10/19/1285581019.db2.gz QNYYBNAJRBXOFG-UHFFFAOYSA-N -1 1 358.362 0.723 20 30 FCEDMM N#CCSCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592681841 1285582077 /nfs/dbraw/zinc/58/20/77/1285582077.db2.gz JFLNEORSTKTOPP-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592681841 1285582085 /nfs/dbraw/zinc/58/20/85/1285582085.db2.gz JFLNEORSTKTOPP-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C2(C(F)(F)F)CCOCC2)nc1-c1nn[nH]n1 ZINC001592683430 1285582126 /nfs/dbraw/zinc/58/21/26/1285582126.db2.gz QJOBQMGUSHOGBU-UHFFFAOYSA-N -1 1 356.268 0.759 20 30 FCEDMM N#Cc1ccc(C(=O)NCC#CCNC(=O)c2ccc(-c3nnn[n-]3)o2)o1 ZINC001592690841 1285585944 /nfs/dbraw/zinc/58/59/44/1285585944.db2.gz GSAVEAVQLYMNHX-UHFFFAOYSA-N -1 1 365.309 0.088 20 30 FCEDMM N#Cc1ccc(C(=O)NCC#CCNC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001592690841 1285585948 /nfs/dbraw/zinc/58/59/48/1285585948.db2.gz GSAVEAVQLYMNHX-UHFFFAOYSA-N -1 1 365.309 0.088 20 30 FCEDMM N#Cc1nccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC001592708668 1285593626 /nfs/dbraw/zinc/59/36/26/1285593626.db2.gz HVQZMXMYZAVWNW-UHFFFAOYSA-N -1 1 364.373 0.720 20 30 FCEDMM N#Cc1nc(N(Cc2cccc(C(N)=O)c2)C2CC2)cnc1-c1nnn[n-]1 ZINC001592705743 1285594144 /nfs/dbraw/zinc/59/41/44/1285594144.db2.gz ASWSKSGDQPUAIN-UHFFFAOYSA-N -1 1 361.369 0.796 20 30 FCEDMM N#Cc1nc(N(Cc2cccc(C(N)=O)c2)C2CC2)cnc1-c1nn[n-]n1 ZINC001592705743 1285594150 /nfs/dbraw/zinc/59/41/50/1285594150.db2.gz ASWSKSGDQPUAIN-UHFFFAOYSA-N -1 1 361.369 0.796 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592766409 1285688563 /nfs/dbraw/zinc/68/85/63/1285688563.db2.gz LBNLWUGGIUSMNF-KBXCAEBGSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592766409 1285688568 /nfs/dbraw/zinc/68/85/68/1285688568.db2.gz LBNLWUGGIUSMNF-KBXCAEBGSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768292 1285693172 /nfs/dbraw/zinc/69/31/72/1285693172.db2.gz HADSDGUJCPBVDO-CHWSQXEVSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768292 1285693180 /nfs/dbraw/zinc/69/31/80/1285693180.db2.gz HADSDGUJCPBVDO-CHWSQXEVSA-N -1 1 352.402 0.909 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(C(=O)[O-])c1 ZINC001601112307 1286637776 /nfs/dbraw/zinc/63/77/76/1286637776.db2.gz YYIMKSOBBRACMD-CHWSQXEVSA-N -1 1 365.411 0.398 20 30 FCEDMM C#C[C@H]1CCCCN1c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1C ZINC001602696173 1287058636 /nfs/dbraw/zinc/05/86/36/1287058636.db2.gz DHGZQEGNTVGSFM-NSHDSACASA-N -1 1 351.374 0.755 20 30 FCEDMM C#CC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(=O)OC ZINC001602696542 1287058969 /nfs/dbraw/zinc/05/89/69/1287058969.db2.gz CAASRCGHZMERQD-SECBINFHSA-N -1 1 368.275 0.575 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001602703683 1287065184 /nfs/dbraw/zinc/06/51/84/1287065184.db2.gz YGFYSXVPDRQDSM-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001602703683 1287065188 /nfs/dbraw/zinc/06/51/88/1287065188.db2.gz YGFYSXVPDRQDSM-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602703658 1287065254 /nfs/dbraw/zinc/06/52/54/1287065254.db2.gz XIXKVMJWAHPNNL-TZMCWYRMSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602703658 1287065266 /nfs/dbraw/zinc/06/52/66/1287065266.db2.gz XIXKVMJWAHPNNL-TZMCWYRMSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@@H]1CCCO1 ZINC001602716593 1287072694 /nfs/dbraw/zinc/07/26/94/1287072694.db2.gz IPXQDQONVKFMKG-JTQLQIEISA-N -1 1 354.378 0.097 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1CC=C ZINC001602718125 1287072823 /nfs/dbraw/zinc/07/28/23/1287072823.db2.gz NOXBSDVDLRPMRJ-UHFFFAOYSA-N -1 1 351.374 0.871 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602725039 1287083310 /nfs/dbraw/zinc/08/33/10/1287083310.db2.gz IRTQLYITJKEBIM-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602725039 1287083318 /nfs/dbraw/zinc/08/33/18/1287083318.db2.gz IRTQLYITJKEBIM-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602725356 1287085010 /nfs/dbraw/zinc/08/50/10/1287085010.db2.gz JZTUZZTVOKIESS-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602725356 1287085019 /nfs/dbraw/zinc/08/50/19/1287085019.db2.gz JZTUZZTVOKIESS-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001602727165 1287091477 /nfs/dbraw/zinc/09/14/77/1287091477.db2.gz VXSSCMNOCWFVFU-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001602727165 1287091486 /nfs/dbraw/zinc/09/14/86/1287091486.db2.gz VXSSCMNOCWFVFU-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001602727429 1287093871 /nfs/dbraw/zinc/09/38/71/1287093871.db2.gz XMXCWBBNSPENHH-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001602727429 1287093879 /nfs/dbraw/zinc/09/38/79/1287093879.db2.gz XMXCWBBNSPENHH-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001602727623 1287094199 /nfs/dbraw/zinc/09/41/99/1287094199.db2.gz QSSYZBOGNRXTQD-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001602727623 1287094212 /nfs/dbraw/zinc/09/42/12/1287094212.db2.gz QSSYZBOGNRXTQD-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602729351 1287096897 /nfs/dbraw/zinc/09/68/97/1287096897.db2.gz PDVVWTQZFPESIY-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602729351 1287096905 /nfs/dbraw/zinc/09/69/05/1287096905.db2.gz PDVVWTQZFPESIY-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001602737865 1287098944 /nfs/dbraw/zinc/09/89/44/1287098944.db2.gz ZLZNTVGJLYEHJX-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001602737865 1287098953 /nfs/dbraw/zinc/09/89/53/1287098953.db2.gz ZLZNTVGJLYEHJX-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001602740027 1287101081 /nfs/dbraw/zinc/10/10/81/1287101081.db2.gz UWBYYQFNMGDDAL-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001602740027 1287101083 /nfs/dbraw/zinc/10/10/83/1287101083.db2.gz UWBYYQFNMGDDAL-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001602739807 1287101916 /nfs/dbraw/zinc/10/19/16/1287101916.db2.gz PBZJPZHKHXQZMM-HAQNSBGRSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001602739807 1287101919 /nfs/dbraw/zinc/10/19/19/1287101919.db2.gz PBZJPZHKHXQZMM-HAQNSBGRSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001602742513 1287101930 /nfs/dbraw/zinc/10/19/30/1287101930.db2.gz FERUAGPYOQSDMD-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001602742513 1287101936 /nfs/dbraw/zinc/10/19/36/1287101936.db2.gz FERUAGPYOQSDMD-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602742557 1287101941 /nfs/dbraw/zinc/10/19/41/1287101941.db2.gz FUUQATFGMWALSC-SHTZXODSSA-N -1 1 374.408 0.940 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602742557 1287101946 /nfs/dbraw/zinc/10/19/46/1287101946.db2.gz FUUQATFGMWALSC-SHTZXODSSA-N -1 1 374.408 0.940 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001602745849 1287103449 /nfs/dbraw/zinc/10/34/49/1287103449.db2.gz VHHJBWYSPBTDIR-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001602745849 1287103454 /nfs/dbraw/zinc/10/34/54/1287103454.db2.gz VHHJBWYSPBTDIR-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602756065 1287105206 /nfs/dbraw/zinc/10/52/06/1287105206.db2.gz BUCOAEMPUCDSJU-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602756065 1287105210 /nfs/dbraw/zinc/10/52/10/1287105210.db2.gz BUCOAEMPUCDSJU-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602759445 1287106782 /nfs/dbraw/zinc/10/67/82/1287106782.db2.gz HLEVCIPGYGTQPR-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602759445 1287106785 /nfs/dbraw/zinc/10/67/85/1287106785.db2.gz HLEVCIPGYGTQPR-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001602769590 1287108474 /nfs/dbraw/zinc/10/84/74/1287108474.db2.gz ASKGYVXPFRGNJV-OBJOEFQTSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)Nc1nccnc1-c1nnn[n-]1 ZINC001602769845 1287108935 /nfs/dbraw/zinc/10/89/35/1287108935.db2.gz OEIDVPZBCODLOT-OBJOEFQTSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)Nc1nccnc1-c1nn[n-]n1 ZINC001602769845 1287108942 /nfs/dbraw/zinc/10/89/42/1287108942.db2.gz OEIDVPZBCODLOT-OBJOEFQTSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001602790383 1287114444 /nfs/dbraw/zinc/11/44/44/1287114444.db2.gz KXUFZFVGBMGOPH-PXAZEXFGSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001602791811 1287116433 /nfs/dbraw/zinc/11/64/33/1287116433.db2.gz BPIFCPGHUZSCLE-SJCJKPOMSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001602791811 1287116437 /nfs/dbraw/zinc/11/64/37/1287116437.db2.gz BPIFCPGHUZSCLE-SJCJKPOMSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602793325 1287118227 /nfs/dbraw/zinc/11/82/27/1287118227.db2.gz LVWFUXHQQCPAOX-GTNSWQLSSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602793325 1287118231 /nfs/dbraw/zinc/11/82/31/1287118231.db2.gz LVWFUXHQQCPAOX-GTNSWQLSSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602793923 1287118255 /nfs/dbraw/zinc/11/82/55/1287118255.db2.gz GDMQSITUMZROAG-BZNIZROVSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602793923 1287118260 /nfs/dbraw/zinc/11/82/60/1287118260.db2.gz GDMQSITUMZROAG-BZNIZROVSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602793494 1287118892 /nfs/dbraw/zinc/11/88/92/1287118892.db2.gz CDNNIOBJMNLJBP-KRWDZBQOSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602793494 1287118893 /nfs/dbraw/zinc/11/88/93/1287118893.db2.gz CDNNIOBJMNLJBP-KRWDZBQOSA-N -1 1 374.449 0.807 20 30 FCEDMM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC001602816360 1287124458 /nfs/dbraw/zinc/12/44/58/1287124458.db2.gz NXKYADGSWUVIOE-LLVKDONJSA-N -1 1 352.376 0.048 20 30 FCEDMM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCC ZINC001602816360 1287124465 /nfs/dbraw/zinc/12/44/65/1287124465.db2.gz NXKYADGSWUVIOE-LLVKDONJSA-N -1 1 352.376 0.048 20 30 FCEDMM C=CCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001602827162 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0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602843911 1287132013 /nfs/dbraw/zinc/13/20/13/1287132013.db2.gz BRZBYQVBMAVMJJ-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602844109 1287132757 /nfs/dbraw/zinc/13/27/57/1287132757.db2.gz IZCZOQCEIYJXKG-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602844109 1287132761 /nfs/dbraw/zinc/13/27/61/1287132761.db2.gz IZCZOQCEIYJXKG-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602843899 1287132784 /nfs/dbraw/zinc/13/27/84/1287132784.db2.gz BOHMAYCQSWAJGN-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001602845210 1287135003 /nfs/dbraw/zinc/13/50/03/1287135003.db2.gz XXIVNHNFYYWCSE-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001602845210 1287135007 /nfs/dbraw/zinc/13/50/07/1287135007.db2.gz XXIVNHNFYYWCSE-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCN(CC(=O)OCC)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001602849537 1287135874 /nfs/dbraw/zinc/13/58/74/1287135874.db2.gz CBKYDPJIPYGDLH-UHFFFAOYSA-N -1 1 371.444 0.809 20 30 FCEDMM C=CCOCC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001602867157 1287140272 /nfs/dbraw/zinc/14/02/72/1287140272.db2.gz XFTLVKUFUDKAAD-RYUDHWBXSA-N -1 1 358.406 0.366 20 30 FCEDMM C=CCOCC(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001602867157 1287140275 /nfs/dbraw/zinc/14/02/75/1287140275.db2.gz XFTLVKUFUDKAAD-RYUDHWBXSA-N -1 1 358.406 0.366 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001602868267 1287141661 /nfs/dbraw/zinc/14/16/61/1287141661.db2.gz KRAYMKLPAKZBJI-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001602867863 1287142730 /nfs/dbraw/zinc/14/27/30/1287142730.db2.gz 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CC(=O)NCc1cccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001573536837 946742880 /nfs/dbraw/zinc/74/28/80/946742880.db2.gz FLYAUBNUCZMAIZ-UHFFFAOYSA-N -1 1 351.330 0.350 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573284960 946761713 /nfs/dbraw/zinc/76/17/13/946761713.db2.gz BCDUDGRPTNSTGE-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573284960 946761720 /nfs/dbraw/zinc/76/17/20/946761720.db2.gz BCDUDGRPTNSTGE-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573285046 946764869 /nfs/dbraw/zinc/76/48/69/946764869.db2.gz CHLDBNAQOIQLNS-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573285046 946764872 /nfs/dbraw/zinc/76/48/72/946764872.db2.gz CHLDBNAQOIQLNS-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573286488 946809063 /nfs/dbraw/zinc/80/90/63/946809063.db2.gz CNIPJNRUNMHIPH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573286488 946809068 /nfs/dbraw/zinc/80/90/68/946809068.db2.gz CNIPJNRUNMHIPH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573287497 946838515 /nfs/dbraw/zinc/83/85/15/946838515.db2.gz ISUGTZIDZPYUGP-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573287497 946838523 /nfs/dbraw/zinc/83/85/23/946838523.db2.gz ISUGTZIDZPYUGP-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288525 946871750 /nfs/dbraw/zinc/87/17/50/946871750.db2.gz VDQMTDFTJOQKGZ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288525 946871765 /nfs/dbraw/zinc/87/17/65/946871765.db2.gz 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ZINC001573309322 947196156 /nfs/dbraw/zinc/19/61/56/947196156.db2.gz GUJLOQOSRZRQBK-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573309322 947196164 /nfs/dbraw/zinc/19/61/64/947196164.db2.gz GUJLOQOSRZRQBK-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573583027 947198314 /nfs/dbraw/zinc/19/83/14/947198314.db2.gz IHMUAFCSICRTRF-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573583027 947198317 /nfs/dbraw/zinc/19/83/17/947198317.db2.gz IHMUAFCSICRTRF-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309371 947198270 /nfs/dbraw/zinc/19/82/70/947198270.db2.gz HTTHTVQHRXQGBR-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309371 947198277 /nfs/dbraw/zinc/19/82/77/947198277.db2.gz HTTHTVQHRXQGBR-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573583189 947201012 /nfs/dbraw/zinc/20/10/12/947201012.db2.gz KRNOEJIXOVWQBM-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573583189 947201020 /nfs/dbraw/zinc/20/10/20/947201020.db2.gz KRNOEJIXOVWQBM-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573309657 947205873 /nfs/dbraw/zinc/20/58/73/947205873.db2.gz MLFQGLHCZHUYGO-PXAZEXFGSA-N -1 1 374.449 0.566 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310239 947222292 /nfs/dbraw/zinc/22/22/92/947222292.db2.gz VOFHZTQCWVGXCB-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310239 947222302 /nfs/dbraw/zinc/22/23/02/947222302.db2.gz VOFHZTQCWVGXCB-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM CCOC(=O)c1cnn(CC(=O)N[C@](C)(C#N)C(C)C)c1-c1nn[n-]n1 ZINC000825564806 947222476 /nfs/dbraw/zinc/22/24/76/947222476.db2.gz GEVCDUPNHVSDMZ-OAHLLOKOSA-N -1 1 360.378 0.294 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573584558 947226031 /nfs/dbraw/zinc/22/60/31/947226031.db2.gz YCARWWKRTAGHIO-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573584558 947226044 /nfs/dbraw/zinc/22/60/44/947226044.db2.gz YCARWWKRTAGHIO-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573586296 947281739 /nfs/dbraw/zinc/28/17/39/947281739.db2.gz NREAHUVVTBKAKN-IJLUTSLNSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573586296 947281747 /nfs/dbraw/zinc/28/17/47/947281747.db2.gz NREAHUVVTBKAKN-IJLUTSLNSA-N -1 1 355.406 0.903 20 30 FCEDMM C=CCCC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573328176 947403934 /nfs/dbraw/zinc/40/39/34/947403934.db2.gz RVDLQJKRKXMVFN-SFYZADRCSA-N -1 1 369.838 0.609 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573335979 947495973 /nfs/dbraw/zinc/49/59/73/947495973.db2.gz GPMYEDLSRIDMTI-ZDUSSCGKSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573335979 947495978 /nfs/dbraw/zinc/49/59/78/947495978.db2.gz GPMYEDLSRIDMTI-ZDUSSCGKSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573337637 947520920 /nfs/dbraw/zinc/52/09/20/947520920.db2.gz ZPAFTNSFJRSSSC-VXGBXAGGSA-N -1 1 360.422 0.897 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573337637 947520930 /nfs/dbraw/zinc/52/09/30/947520930.db2.gz ZPAFTNSFJRSSSC-VXGBXAGGSA-N -1 1 360.422 0.897 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573343064 947552345 /nfs/dbraw/zinc/55/23/45/947552345.db2.gz IXMUDSFRXBOBCO-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573343064 947552351 /nfs/dbraw/zinc/55/23/51/947552351.db2.gz IXMUDSFRXBOBCO-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573343287 947554893 /nfs/dbraw/zinc/55/48/93/947554893.db2.gz MJAKALUAPGEASI-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573343287 947554899 /nfs/dbraw/zinc/55/48/99/947554899.db2.gz MJAKALUAPGEASI-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573343371 947556376 /nfs/dbraw/zinc/55/63/76/947556376.db2.gz OBVPHJZCMDJIMR-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573343371 947556388 /nfs/dbraw/zinc/55/63/88/947556388.db2.gz OBVPHJZCMDJIMR-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573343601 947560703 /nfs/dbraw/zinc/56/07/03/947560703.db2.gz QXTAZFIRWAPCIN-LBPRGKRZSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573343601 947560717 /nfs/dbraw/zinc/56/07/17/947560717.db2.gz QXTAZFIRWAPCIN-LBPRGKRZSA-N -1 1 372.433 0.825 20 30 FCEDMM CC#CCCCC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573358331 947661424 /nfs/dbraw/zinc/66/14/24/947661424.db2.gz DVFRJMCAYPSATA-UHFFFAOYSA-N -1 1 358.406 0.083 20 30 FCEDMM CC#CCCCC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573358331 947661431 /nfs/dbraw/zinc/66/14/31/947661431.db2.gz DVFRJMCAYPSATA-UHFFFAOYSA-N -1 1 358.406 0.083 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573358609 947667121 /nfs/dbraw/zinc/66/71/21/947667121.db2.gz FYCSPCNRAWMXPI-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573358609 947667126 /nfs/dbraw/zinc/66/71/26/947667126.db2.gz FYCSPCNRAWMXPI-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM Cc1ccccc1Nc1nc(N)nc(Cn2cnc(-c3nn[n-]n3)c2C#N)n1 ZINC000826307518 947882651 /nfs/dbraw/zinc/88/26/51/947882651.db2.gz LOXAUXBDIWDJII-UHFFFAOYSA-N -1 1 374.372 0.802 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000826383337 948182135 /nfs/dbraw/zinc/18/21/35/948182135.db2.gz VYKXMBRDEQKUFY-UHFFFAOYSA-N -1 1 363.297 0.762 20 30 FCEDMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574679408 948780948 /nfs/dbraw/zinc/78/09/48/948780948.db2.gz UUVVWTOVFMDFOE-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574679408 948780954 /nfs/dbraw/zinc/78/09/54/948780954.db2.gz UUVVWTOVFMDFOE-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](c1ccccc1F)[C@@H](O)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001575515673 949194694 /nfs/dbraw/zinc/19/46/94/949194694.db2.gz KFIYQFIFPQZVIJ-JVXZTZIISA-N -1 1 356.321 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ZINC001573851556 950297318 /nfs/dbraw/zinc/29/73/18/950297318.db2.gz ZWESLJYCBOCFHN-JTQLQIEISA-N -1 1 358.362 0.075 20 30 FCEDMM CC(C)(C)OC(=O)[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001573851556 950297338 /nfs/dbraw/zinc/29/73/38/950297338.db2.gz ZWESLJYCBOCFHN-JTQLQIEISA-N -1 1 358.362 0.075 20 30 FCEDMM CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573854040 950338637 /nfs/dbraw/zinc/33/86/37/950338637.db2.gz XRPGWFHMIMUZMC-UHFFFAOYSA-N -1 1 371.405 0.976 20 30 FCEDMM CC(C)(C)OC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573854040 950338662 /nfs/dbraw/zinc/33/86/62/950338662.db2.gz XRPGWFHMIMUZMC-UHFFFAOYSA-N -1 1 371.405 0.976 20 30 FCEDMM C[C@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)OCCc2ccccc21 ZINC001575614592 950542596 /nfs/dbraw/zinc/54/25/96/950542596.db2.gz JGLHMYLSVPXZNJ-INIZCTEOSA-N -1 1 350.342 0.888 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1cc[nH]n1 ZINC001590648547 950968435 /nfs/dbraw/zinc/96/84/35/950968435.db2.gz 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ZINC001575827416 1272491431 /nfs/dbraw/zinc/49/14/31/1272491431.db2.gz YCJJOGZONUEQHW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041761 1272761745 /nfs/dbraw/zinc/76/17/45/1272761745.db2.gz SKHQOLQNELZBFB-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041761 1272761752 /nfs/dbraw/zinc/76/17/52/1272761752.db2.gz SKHQOLQNELZBFB-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)n1 ZINC001580693967 1278734863 /nfs/dbraw/zinc/73/48/63/1278734863.db2.gz AJECTXWSJJFMFR-AWEZNQCLSA-N -1 1 352.402 0.685 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)n1 ZINC001580693967 1278734865 /nfs/dbraw/zinc/73/48/65/1278734865.db2.gz AJECTXWSJJFMFR-AWEZNQCLSA-N -1 1 352.402 0.685 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576311157 1273125328 /nfs/dbraw/zinc/12/53/28/1273125328.db2.gz CLIOULWRFSHINP-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576311157 1273125333 /nfs/dbraw/zinc/12/53/33/1273125333.db2.gz CLIOULWRFSHINP-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576311117 1273125469 /nfs/dbraw/zinc/12/54/69/1273125469.db2.gz CDRBMDNRLNXBIX-CABZTGNLSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576311117 1273125474 /nfs/dbraw/zinc/12/54/74/1273125474.db2.gz CDRBMDNRLNXBIX-CABZTGNLSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576313485 1273128743 /nfs/dbraw/zinc/12/87/43/1273128743.db2.gz PLHOQARZUMXPRB-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576313485 1273128745 /nfs/dbraw/zinc/12/87/45/1273128745.db2.gz PLHOQARZUMXPRB-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580707134 1278766303 /nfs/dbraw/zinc/76/63/03/1278766303.db2.gz ARXVOICKVHWQDH-GCVQQVDUSA-N -1 1 355.406 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580707134 1278766308 /nfs/dbraw/zinc/76/63/08/1278766308.db2.gz ARXVOICKVHWQDH-GCVQQVDUSA-N -1 1 355.406 0.964 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580719343 1278792868 /nfs/dbraw/zinc/79/28/68/1278792868.db2.gz AIKGRTXAPJVKTE-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580719343 1278792870 /nfs/dbraw/zinc/79/28/70/1278792870.db2.gz AIKGRTXAPJVKTE-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM CC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC001577176660 1274225939 /nfs/dbraw/zinc/22/59/39/1274225939.db2.gz GRCYVWYRYSQQCE-NEPJUHHUSA-N -1 1 355.406 0.754 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577623698 1274605265 /nfs/dbraw/zinc/60/52/65/1274605265.db2.gz PIDCZQOJVSEWAI-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001578074756 1275379302 /nfs/dbraw/zinc/37/93/02/1275379302.db2.gz DPNBYUCCKGPOJW-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001578074756 1275379311 /nfs/dbraw/zinc/37/93/11/1275379311.db2.gz DPNBYUCCKGPOJW-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001578148456 1275447984 /nfs/dbraw/zinc/44/79/84/1275447984.db2.gz YCOCGZZIPSGGGW-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001578148456 1275447993 /nfs/dbraw/zinc/44/79/93/1275447993.db2.gz YCOCGZZIPSGGGW-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578208656 1275500132 /nfs/dbraw/zinc/50/01/32/1275500132.db2.gz XTYOSXRFTUFLRN-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578208656 1275500134 /nfs/dbraw/zinc/50/01/34/1275500134.db2.gz XTYOSXRFTUFLRN-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)[C@@]1(F)CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@@H]1CC ZINC001578249578 1275551278 /nfs/dbraw/zinc/55/12/78/1275551278.db2.gz NPXCYICDFQPFJI-BJOHPYRUSA-N -1 1 360.353 0.646 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588012 1276020848 /nfs/dbraw/zinc/02/08/48/1276020848.db2.gz AZTCZEWCOPTTEM-WDEREUQCSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588012 1276020856 /nfs/dbraw/zinc/02/08/56/1276020856.db2.gz AZTCZEWCOPTTEM-WDEREUQCSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578669723 1276122079 /nfs/dbraw/zinc/12/20/79/1276122079.db2.gz VMKGPMCXZBCIOO-DCAQKATOSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578669723 1276122084 /nfs/dbraw/zinc/12/20/84/1276122084.db2.gz VMKGPMCXZBCIOO-DCAQKATOSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578900450 1276440971 /nfs/dbraw/zinc/44/09/71/1276440971.db2.gz FBXNRIHPXMDGDM-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578900450 1276440974 /nfs/dbraw/zinc/44/09/74/1276440974.db2.gz FBXNRIHPXMDGDM-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578911948 1276451312 /nfs/dbraw/zinc/45/13/12/1276451312.db2.gz QPRPYOXCKWHZPQ-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578921301 1276463613 /nfs/dbraw/zinc/46/36/13/1276463613.db2.gz LVNRJMZQLXYBAZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578921301 1276463617 /nfs/dbraw/zinc/46/36/17/1276463617.db2.gz LVNRJMZQLXYBAZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C)C(=O)c1cccc(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001578962213 1276504798 /nfs/dbraw/zinc/50/47/98/1276504798.db2.gz JPTSMJJOWNFWAJ-UHFFFAOYSA-N -1 1 363.385 0.885 20 30 FCEDMM CN(C[C@@H]1COc2ccccc2O1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579104173 1276763345 /nfs/dbraw/zinc/76/33/45/1276763345.db2.gz BRQVWJFCFXSPHD-SNVBAGLBSA-N -1 1 350.342 0.805 20 30 FCEDMM CN(C[C@@H]1COc2ccccc2O1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579104173 1276763347 /nfs/dbraw/zinc/76/33/47/1276763347.db2.gz BRQVWJFCFXSPHD-SNVBAGLBSA-N -1 1 350.342 0.805 20 30 FCEDMM CN(Cc1ncc(Br)cn1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579265268 1277062038 /nfs/dbraw/zinc/06/20/38/1277062038.db2.gz BVGYFGGXWLPFTH-UHFFFAOYSA-N -1 1 373.178 0.717 20 30 FCEDMM CNC(=O)COc1ccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579398513 1277282849 /nfs/dbraw/zinc/28/28/49/1277282849.db2.gz LZEOYXFZENQCKX-UHFFFAOYSA-N -1 1 352.314 0.445 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)ccc1OC ZINC001579478382 1277385328 /nfs/dbraw/zinc/38/53/28/1277385328.db2.gz CMTYYIGTAIJERR-UHFFFAOYSA-N -1 1 366.341 0.936 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)ccc1OC ZINC001579478382 1277385334 /nfs/dbraw/zinc/38/53/34/1277385334.db2.gz CMTYYIGTAIJERR-UHFFFAOYSA-N -1 1 366.341 0.936 20 30 FCEDMM COCCN(CCC#N)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001579792375 1277914396 /nfs/dbraw/zinc/91/43/96/1277914396.db2.gz ISGRHRLHTJENMZ-UHFFFAOYSA-N -1 1 357.378 0.774 20 30 FCEDMM COCCN(CCC#N)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001579792375 1277914400 /nfs/dbraw/zinc/91/44/00/1277914400.db2.gz ISGRHRLHTJENMZ-UHFFFAOYSA-N -1 1 357.378 0.774 20 30 FCEDMM COc1cc2c(cc1O)CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001579938396 1277971060 /nfs/dbraw/zinc/97/10/60/1277971060.db2.gz CTPFEAWVSVQTBM-UHFFFAOYSA-N -1 1 350.342 0.805 20 30 FCEDMM COc1cc2c(cc1O)CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001579938396 1277971065 /nfs/dbraw/zinc/97/10/65/1277971065.db2.gz CTPFEAWVSVQTBM-UHFFFAOYSA-N -1 1 350.342 0.805 20 30 FCEDMM Cc1cc(CN2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)on1 ZINC001580923577 1279132953 /nfs/dbraw/zinc/13/29/53/1279132953.db2.gz UMJRRFJQFLADQV-UHFFFAOYSA-N -1 1 352.362 0.147 20 30 FCEDMM Cc1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)nc(N2CCCC2)n1 ZINC001580928685 1279143611 /nfs/dbraw/zinc/14/36/11/1279143611.db2.gz YBTUKTYPIHRSQI-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ncc1C#N ZINC001580970494 1279171615 /nfs/dbraw/zinc/17/16/15/1279171615.db2.gz DKXFAAQYGBKYLH-GFCCVEGCSA-N -1 1 362.401 0.947 20 30 FCEDMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ncc1C#N ZINC001580970494 1279171621 /nfs/dbraw/zinc/17/16/21/1279171621.db2.gz DKXFAAQYGBKYLH-GFCCVEGCSA-N -1 1 362.401 0.947 20 30 FCEDMM Cc1cc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)ccc1C#N ZINC001581043286 1279284124 /nfs/dbraw/zinc/28/41/24/1279284124.db2.gz BXBDAXALAQJLKV-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1cc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)ccc1C#N ZINC001581043286 1279284125 /nfs/dbraw/zinc/28/41/25/1279284125.db2.gz BXBDAXALAQJLKV-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1cc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1C#N ZINC001581043385 1279284177 /nfs/dbraw/zinc/28/41/77/1279284177.db2.gz HVXLIXHNHWKPDQ-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1cc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1C#N ZINC001581043385 1279284178 /nfs/dbraw/zinc/28/41/78/1279284178.db2.gz HVXLIXHNHWKPDQ-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1csc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)n1 ZINC001581386205 1279815811 /nfs/dbraw/zinc/81/58/11/1279815811.db2.gz XZIVNWXSNJJXLC-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2CC[C@H](CNC(=O)C#CC3CC3)C2)c1-c1nn[n-]n1 ZINC001581670385 1280380320 /nfs/dbraw/zinc/38/03/20/1280380320.db2.gz GWYUASHVHOLAQF-GFCCVEGCSA-N -1 1 357.443 0.988 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CN2CSCCSC2)nc1-c1nn[nH]n1 ZINC001581860100 1280610283 /nfs/dbraw/zinc/61/02/83/1280610283.db2.gz KPNYWEUGQIUBFY-UHFFFAOYSA-N -1 1 351.421 0.097 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2COCCN2C2CCCC2)nc1-c1nn[nH]n1 ZINC001581860064 1280611541 /nfs/dbraw/zinc/61/15/41/1280611541.db2.gz IZKMFAKVTMJPRA-NSHDSACASA-N -1 1 357.378 0.043 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(C3OCCO3)cc2)nc1-c1nn[nH]n1 ZINC001581860832 1280612645 /nfs/dbraw/zinc/61/26/45/1280612645.db2.gz VEOGSLASUUEMOG-UHFFFAOYSA-N -1 1 352.314 0.759 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H](O)c2ccc(Cl)cc2F)nc1-c1nn[nH]n1 ZINC001581860183 1280613665 /nfs/dbraw/zinc/61/36/65/1280613665.db2.gz OGDKYXZDBNBJBQ-SNVBAGLBSA-N -1 1 362.712 0.926 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H](CCCO)c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860401 1280614664 /nfs/dbraw/zinc/61/46/64/1280614664.db2.gz YQJPSTGEIIIUJP-NSHDSACASA-N -1 1 352.358 0.956 20 30 FCEDMM N#Cc1cc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c[nH]1 ZINC001581864251 1280616032 /nfs/dbraw/zinc/61/60/32/1280616032.db2.gz OBQZZUKCXZHYSI-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1cc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c[nH]1 ZINC001581864251 1280616039 /nfs/dbraw/zinc/61/60/39/1280616039.db2.gz OBQZZUKCXZHYSI-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c[nH]1 ZINC001581864089 1280616729 /nfs/dbraw/zinc/61/67/29/1280616729.db2.gz FWNNWNZUUJAYCL-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c[nH]1 ZINC001581864089 1280616732 /nfs/dbraw/zinc/61/67/32/1280616732.db2.gz FWNNWNZUUJAYCL-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001581863279 1280617238 /nfs/dbraw/zinc/61/72/38/1280617238.db2.gz GBIUQTSTIKXQKH-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001581863279 1280617243 /nfs/dbraw/zinc/61/72/43/1280617243.db2.gz GBIUQTSTIKXQKH-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864626 1280619587 /nfs/dbraw/zinc/61/95/87/1280619587.db2.gz FLXMIPURBQMKSK-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864626 1280619591 /nfs/dbraw/zinc/61/95/91/1280619591.db2.gz FLXMIPURBQMKSK-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581865955 1280620867 /nfs/dbraw/zinc/62/08/67/1280620867.db2.gz PZLDMPQENXHXJD-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581865955 1280620873 /nfs/dbraw/zinc/62/08/73/1280620873.db2.gz PZLDMPQENXHXJD-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581867399 1280623092 /nfs/dbraw/zinc/62/30/92/1280623092.db2.gz GWATYWKXVMJBSB-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581867399 1280623096 /nfs/dbraw/zinc/62/30/96/1280623096.db2.gz GWATYWKXVMJBSB-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001581867691 1280623170 /nfs/dbraw/zinc/62/31/70/1280623170.db2.gz RIYJMORASSPZJR-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001581867691 1280623179 /nfs/dbraw/zinc/62/31/79/1280623179.db2.gz RIYJMORASSPZJR-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581868093 1280625010 /nfs/dbraw/zinc/62/50/10/1280625010.db2.gz IBNCDYWFYQTXFB-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581868093 1280625014 /nfs/dbraw/zinc/62/50/14/1280625014.db2.gz IBNCDYWFYQTXFB-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(O[C@H]2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)nc1 ZINC001581873867 1280629100 /nfs/dbraw/zinc/62/91/00/1280629100.db2.gz TVYVBQHIUWCLCZ-NSHDSACASA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1ccc(O[C@H]2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)nc1 ZINC001581873867 1280629105 /nfs/dbraw/zinc/62/91/05/1280629105.db2.gz TVYVBQHIUWCLCZ-NSHDSACASA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1F ZINC001581873811 1280629454 /nfs/dbraw/zinc/62/94/54/1280629454.db2.gz QUTDLPQUNHMASB-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1F ZINC001581873811 1280629469 /nfs/dbraw/zinc/62/94/69/1280629469.db2.gz QUTDLPQUNHMASB-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1nc(N2CCCN(CC(F)(F)F)CC2)cnc1-c1nnn[n-]1 ZINC001581879792 1280636490 /nfs/dbraw/zinc/63/64/90/1280636490.db2.gz XVOZZUPEHKEUCI-UHFFFAOYSA-N -1 1 353.312 0.603 20 30 FCEDMM N#Cc1nc(N2CCCN(CC(F)(F)F)CC2)cnc1-c1nn[n-]n1 ZINC001581879792 1280636497 /nfs/dbraw/zinc/63/64/97/1280636497.db2.gz XVOZZUPEHKEUCI-UHFFFAOYSA-N -1 1 353.312 0.603 20 30 FCEDMM N#Cc1nc(N2CCNC(=O)[C@H]2CC2CCCCC2)cnc1-c1nnn[n-]1 ZINC001581879194 1280636627 /nfs/dbraw/zinc/63/66/27/1280636627.db2.gz AOYCVGBWUFGEAR-CYBMUJFWSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1nc(N2CCNC(=O)[C@H]2CC2CCCCC2)cnc1-c1nn[n-]n1 ZINC001581879194 1280636633 /nfs/dbraw/zinc/63/66/33/1280636633.db2.gz AOYCVGBWUFGEAR-CYBMUJFWSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1nc(NCCN2C[C@H]3CCCCN3C2=O)cnc1-c1nnn[n-]1 ZINC001581880471 1280637454 /nfs/dbraw/zinc/63/74/54/1280637454.db2.gz LADPXUUQHIRIRX-SNVBAGLBSA-N -1 1 354.378 0.230 20 30 FCEDMM N#Cc1nc(NCCN2C[C@H]3CCCCN3C2=O)cnc1-c1nn[n-]n1 ZINC001581880471 1280637461 /nfs/dbraw/zinc/63/74/61/1280637461.db2.gz LADPXUUQHIRIRX-SNVBAGLBSA-N -1 1 354.378 0.230 20 30 FCEDMM N#Cc1nc(NCC(=O)Nc2ccc(F)c(F)c2)cnc1-c1nnn[n-]1 ZINC001581880325 1280638507 /nfs/dbraw/zinc/63/85/07/1280638507.db2.gz HAEYQCUEVBSOJV-UHFFFAOYSA-N -1 1 357.284 0.857 20 30 FCEDMM N#Cc1nc(NCC(=O)Nc2ccc(F)c(F)c2)cnc1-c1nn[n-]n1 ZINC001581880325 1280638516 /nfs/dbraw/zinc/63/85/16/1280638516.db2.gz HAEYQCUEVBSOJV-UHFFFAOYSA-N -1 1 357.284 0.857 20 30 FCEDMM N#Cc1nc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cnc1-c1nnn[n-]1 ZINC001581880643 1280640829 /nfs/dbraw/zinc/64/08/29/1280640829.db2.gz QSCWXTYECMLCKQ-SNVBAGLBSA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1nc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cnc1-c1nn[n-]n1 ZINC001581880643 1280640838 /nfs/dbraw/zinc/64/08/38/1280640838.db2.gz QSCWXTYECMLCKQ-SNVBAGLBSA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581880762 1280641386 /nfs/dbraw/zinc/64/13/86/1280641386.db2.gz UTYRLACOFKDDHT-MRVPVSSYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581880762 1280641398 /nfs/dbraw/zinc/64/13/98/1280641398.db2.gz UTYRLACOFKDDHT-MRVPVSSYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1ncc(NCC(=O)N2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001581882496 1280644341 /nfs/dbraw/zinc/64/43/41/1280644341.db2.gz AVBBYKCHACDJDA-UHFFFAOYSA-N -1 1 361.369 0.920 20 30 FCEDMM N#Cc1ncc(N2Cc3ncccc3N3CCC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001581882787 1280644721 /nfs/dbraw/zinc/64/47/21/1280644721.db2.gz HIQDRESOOWUPFW-NSHDSACASA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1ncc(NC[C@H](O)COc2ccc(F)c(F)c2)nc1-c1nn[n-]n1 ZINC001581882893 1280645014 /nfs/dbraw/zinc/64/50/14/1280645014.db2.gz KVTOTGIRXHDGGK-QMMMGPOBSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc1-c1nn[n-]n1 ZINC001581882512 1280645292 /nfs/dbraw/zinc/64/52/92/1280645292.db2.gz BRLCEKKCJRMKMD-SSDOTTSWSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1ncc(NC[C@H](O)COc2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001581882971 1280645323 /nfs/dbraw/zinc/64/53/23/1280645323.db2.gz NIFROONLUIDSRM-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1ncc(N2CCNC(=O)[C@@H]2CC2CCCCC2)nc1-c1nn[n-]n1 ZINC001581883181 1280647216 /nfs/dbraw/zinc/64/72/16/1280647216.db2.gz QTCUSDJAVUVXCP-ZDUSSCGKSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCCN(CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581883185 1280648676 /nfs/dbraw/zinc/64/86/76/1280648676.db2.gz QUXBAEMYSRJKGX-QMMMGPOBSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1ncc(NCc2nnc(C3CCOCC3)[nH]2)nc1-c1nn[n-]n1 ZINC001581884305 1280649151 /nfs/dbraw/zinc/64/91/51/1280649151.db2.gz UDNMDWZKAVVDAT-UHFFFAOYSA-N -1 1 353.350 0.153 20 30 FCEDMM C[C@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC001603629216 1287450186 /nfs/dbraw/zinc/45/01/86/1287450186.db2.gz BQQXKTFMFATWRH-JTQLQIEISA-N -1 1 352.362 0.390 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001603637354 1287451934 /nfs/dbraw/zinc/45/19/34/1287451934.db2.gz AYQVXBACCDPAKY-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001603637354 1287451940 /nfs/dbraw/zinc/45/19/40/1287451940.db2.gz AYQVXBACCDPAKY-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM O=C1c2ccccc2C(=O)N1CC#CCOc1cccnc1-c1nnn[n-]1 ZINC001582790335 1282006221 /nfs/dbraw/zinc/00/62/21/1282006221.db2.gz IMSILDBLBXNBFJ-UHFFFAOYSA-N -1 1 360.333 0.940 20 30 FCEDMM O=C1c2ccccc2C(=O)N1CC#CCOc1cccnc1-c1nn[n-]n1 ZINC001582790335 1282006231 /nfs/dbraw/zinc/00/62/31/1282006231.db2.gz IMSILDBLBXNBFJ-UHFFFAOYSA-N -1 1 360.333 0.940 20 30 FCEDMM C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588330822 1282422692 /nfs/dbraw/zinc/42/26/92/1282422692.db2.gz FMUZALFCHQCNLE-NSHDSACASA-N -1 1 353.379 0.713 20 30 FCEDMM C#CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCCC1 ZINC001588333206 1282425155 /nfs/dbraw/zinc/42/51/55/1282425155.db2.gz GFPSWSUTIQIOJM-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCCC1 ZINC001588333206 1282425156 /nfs/dbraw/zinc/42/51/56/1282425156.db2.gz GFPSWSUTIQIOJM-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588338464 1282430596 /nfs/dbraw/zinc/43/05/96/1282430596.db2.gz CMZPFPIMYQBXEA-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588338464 1282430601 /nfs/dbraw/zinc/43/06/01/1282430601.db2.gz CMZPFPIMYQBXEA-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001588338159 1282430891 /nfs/dbraw/zinc/43/08/91/1282430891.db2.gz AEXWKKZMLNBSQH-GOSISDBHSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001588338159 1282430895 /nfs/dbraw/zinc/43/08/95/1282430895.db2.gz AEXWKKZMLNBSQH-GOSISDBHSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338465 1282431395 /nfs/dbraw/zinc/43/13/95/1282431395.db2.gz LOEUVGALCXGDHT-CHWSQXEVSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588338936 1282433480 /nfs/dbraw/zinc/43/34/80/1282433480.db2.gz RDCZHJAUEJXMRX-LBPRGKRZSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001588340235 1282434783 /nfs/dbraw/zinc/43/47/83/1282434783.db2.gz JKNOMVXSGPPVNY-CYBMUJFWSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001588340235 1282434787 /nfs/dbraw/zinc/43/47/87/1282434787.db2.gz JKNOMVXSGPPVNY-CYBMUJFWSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588339792 1282435017 /nfs/dbraw/zinc/43/50/17/1282435017.db2.gz VXLCTPWQVLXYEI-STQMWFEESA-N -1 1 366.429 0.812 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588339792 1282435020 /nfs/dbraw/zinc/43/50/20/1282435020.db2.gz VXLCTPWQVLXYEI-STQMWFEESA-N -1 1 366.429 0.812 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588341460 1282436220 /nfs/dbraw/zinc/43/62/20/1282436220.db2.gz IJQJXOAZXYBTGC-SFHVURJKSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588340895 1282437239 /nfs/dbraw/zinc/43/72/39/1282437239.db2.gz KKDRMLIPSCVWAC-HDJSIYSDSA-N -1 1 368.445 0.969 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588342065 1282438473 /nfs/dbraw/zinc/43/84/73/1282438473.db2.gz DWPVKGSGHLJGFQ-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588342065 1282438477 /nfs/dbraw/zinc/43/84/77/1282438477.db2.gz DWPVKGSGHLJGFQ-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588354991 1282451534 /nfs/dbraw/zinc/45/15/34/1282451534.db2.gz CVXGCCJVTYOTFF-OLZOCXBDSA-N -1 1 372.433 0.060 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588355371 1282453101 /nfs/dbraw/zinc/45/31/01/1282453101.db2.gz HHMFWPWQTDTALB-GXSJLCMTSA-N -1 1 363.447 0.611 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001588355366 1282453281 /nfs/dbraw/zinc/45/32/81/1282453281.db2.gz HFNXSQSOAIKRHG-LBPRGKRZSA-N -1 1 360.443 0.611 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355381 1282453742 /nfs/dbraw/zinc/45/37/42/1282453742.db2.gz HLMFZVLPSVBOFJ-DGCLKSJQSA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355381 1282453746 /nfs/dbraw/zinc/45/37/46/1282453746.db2.gz HLMFZVLPSVBOFJ-DGCLKSJQSA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356061 1282456568 /nfs/dbraw/zinc/45/65/68/1282456568.db2.gz SANNYNBHNZJQSQ-MNOVXSKESA-N -1 1 361.431 0.365 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588356184 1282457320 /nfs/dbraw/zinc/45/73/20/1282457320.db2.gz UNUNORRUHLYHGI-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588356184 1282457328 /nfs/dbraw/zinc/45/73/28/1282457328.db2.gz UNUNORRUHLYHGI-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356390 1282458468 /nfs/dbraw/zinc/45/84/68/1282458468.db2.gz WXDFYYVSXWKITI-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356390 1282458471 /nfs/dbraw/zinc/45/84/71/1282458471.db2.gz WXDFYYVSXWKITI-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588356385 1282459562 /nfs/dbraw/zinc/45/95/62/1282459562.db2.gz WWQPHBCVAGOMBQ-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588356385 1282459572 /nfs/dbraw/zinc/45/95/72/1282459572.db2.gz WWQPHBCVAGOMBQ-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356629 1282460367 /nfs/dbraw/zinc/46/03/67/1282460367.db2.gz YTVZPTUSNUWZJF-VXGBXAGGSA-N -1 1 372.433 0.422 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356629 1282460376 /nfs/dbraw/zinc/46/03/76/1282460376.db2.gz YTVZPTUSNUWZJF-VXGBXAGGSA-N -1 1 372.433 0.422 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588356748 1282460651 /nfs/dbraw/zinc/46/06/51/1282460651.db2.gz ZSIHGELEDHKYKT-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588356748 1282460658 /nfs/dbraw/zinc/46/06/58/1282460658.db2.gz ZSIHGELEDHKYKT-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nnn[n-]1 ZINC001588356752 1282460942 /nfs/dbraw/zinc/46/09/42/1282460942.db2.gz FRBXODGNEQRYJW-VXGBXAGGSA-N -1 1 358.406 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nn[n-]n1 ZINC001588356752 1282460947 /nfs/dbraw/zinc/46/09/47/1282460947.db2.gz FRBXODGNEQRYJW-VXGBXAGGSA-N -1 1 358.406 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356922 1282462382 /nfs/dbraw/zinc/46/23/82/1282462382.db2.gz HXROVDKIXORKJT-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356922 1282462389 /nfs/dbraw/zinc/46/23/89/1282462389.db2.gz HXROVDKIXORKJT-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588357194 1282464493 /nfs/dbraw/zinc/46/44/93/1282464493.db2.gz IZCUGCXLDHCBPU-FZMZJTMJSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588357194 1282464496 /nfs/dbraw/zinc/46/44/96/1282464496.db2.gz IZCUGCXLDHCBPU-FZMZJTMJSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588357312 1282465046 /nfs/dbraw/zinc/46/50/46/1282465046.db2.gz LCMQJOLOZLVWMM-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588359166 1282473300 /nfs/dbraw/zinc/47/33/00/1282473300.db2.gz IKHKSEONLXKTBC-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588359166 1282473304 /nfs/dbraw/zinc/47/33/04/1282473304.db2.gz IKHKSEONLXKTBC-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588358999 1282473451 /nfs/dbraw/zinc/47/34/51/1282473451.db2.gz FVMHDCTYIXCSBD-VHSXEESVSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588359267 1282474609 /nfs/dbraw/zinc/47/46/09/1282474609.db2.gz JLASFVATBQFETG-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588359267 1282474613 /nfs/dbraw/zinc/47/46/13/1282474613.db2.gz JLASFVATBQFETG-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588359619 1282475338 /nfs/dbraw/zinc/47/53/38/1282475338.db2.gz UIBJYPQZJKJOIW-CYBMUJFWSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588359619 1282475343 /nfs/dbraw/zinc/47/53/43/1282475343.db2.gz UIBJYPQZJKJOIW-CYBMUJFWSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588359868 1282476915 /nfs/dbraw/zinc/47/69/15/1282476915.db2.gz ZSQBFDTVYBLYEE-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588359868 1282476920 /nfs/dbraw/zinc/47/69/20/1282476920.db2.gz ZSQBFDTVYBLYEE-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588360106 1282477339 /nfs/dbraw/zinc/47/73/39/1282477339.db2.gz IKUUHZCIFGDFAG-CQSZACIVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588360106 1282477345 /nfs/dbraw/zinc/47/73/45/1282477345.db2.gz IKUUHZCIFGDFAG-CQSZACIVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360469 1282479103 /nfs/dbraw/zinc/47/91/03/1282479103.db2.gz QNYYJOYUXAPGES-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360469 1282479107 /nfs/dbraw/zinc/47/91/07/1282479107.db2.gz QNYYJOYUXAPGES-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360809 1282479738 /nfs/dbraw/zinc/47/97/38/1282479738.db2.gz WFZZOGOGHAKMPT-UHFFFAOYSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360809 1282479747 /nfs/dbraw/zinc/47/97/47/1282479747.db2.gz WFZZOGOGHAKMPT-UHFFFAOYSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001588360833 1282481282 /nfs/dbraw/zinc/48/12/82/1282481282.db2.gz WQABXVUXPALBCQ-MEWQQHAOSA-N -1 1 373.442 0.221 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588361143 1282482945 /nfs/dbraw/zinc/48/29/45/1282482945.db2.gz FMNLFVUZQOLTRS-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588361143 1282482947 /nfs/dbraw/zinc/48/29/47/1282482947.db2.gz FMNLFVUZQOLTRS-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588361369 1282483303 /nfs/dbraw/zinc/48/33/03/1282483303.db2.gz KQSMVFXQBMBYKY-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588361369 1282483312 /nfs/dbraw/zinc/48/33/12/1282483312.db2.gz KQSMVFXQBMBYKY-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362357 1282486413 /nfs/dbraw/zinc/48/64/13/1282486413.db2.gz BCAGVTOXHXFOAO-TXEJJXNPSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362357 1282486419 /nfs/dbraw/zinc/48/64/19/1282486419.db2.gz BCAGVTOXHXFOAO-TXEJJXNPSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588362117 1282487532 /nfs/dbraw/zinc/48/75/32/1282487532.db2.gz WHYLJWBGMISYJT-JTQLQIEISA-N -1 1 363.447 0.978 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001588365088 1282490549 /nfs/dbraw/zinc/49/05/49/1282490549.db2.gz RNIZNFPXCBTUHX-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001588365088 1282490553 /nfs/dbraw/zinc/49/05/53/1282490553.db2.gz RNIZNFPXCBTUHX-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001588364763 1282490737 /nfs/dbraw/zinc/49/07/37/1282490737.db2.gz ISEJQTUQSVNIKK-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001588364763 1282490741 /nfs/dbraw/zinc/49/07/41/1282490741.db2.gz ISEJQTUQSVNIKK-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001588369964 1282494213 /nfs/dbraw/zinc/49/42/13/1282494213.db2.gz FDZMKIIMVIJWEP-LLVKDONJSA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001588369964 1282494220 /nfs/dbraw/zinc/49/42/20/1282494220.db2.gz FDZMKIIMVIJWEP-LLVKDONJSA-N -1 1 363.385 0.572 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588391920 1282498360 /nfs/dbraw/zinc/49/83/60/1282498360.db2.gz RPLOQGXWVVEDFI-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588391920 1282498362 /nfs/dbraw/zinc/49/83/62/1282498362.db2.gz RPLOQGXWVVEDFI-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402998 1282499076 /nfs/dbraw/zinc/49/90/76/1282499076.db2.gz RSZHMMQNMIZBBJ-OLZOCXBDSA-N -1 1 374.449 0.709 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588404217 1282499731 /nfs/dbraw/zinc/49/97/31/1282499731.db2.gz FOYGKXKYTLHQIL-GWCFXTLKSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588404217 1282499735 /nfs/dbraw/zinc/49/97/35/1282499735.db2.gz FOYGKXKYTLHQIL-GWCFXTLKSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588406363 1282503317 /nfs/dbraw/zinc/50/33/17/1282503317.db2.gz ULCXBSMBNMKJSS-VIFPVBQESA-N -1 1 368.375 0.380 20 30 FCEDMM C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588406363 1282503324 /nfs/dbraw/zinc/50/33/24/1282503324.db2.gz ULCXBSMBNMKJSS-VIFPVBQESA-N -1 1 368.375 0.380 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC ZINC001588409174 1282503340 /nfs/dbraw/zinc/50/33/40/1282503340.db2.gz BHLDLJXCYMSVHI-GFCCVEGCSA-N -1 1 369.378 0.792 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588417661 1282504288 /nfs/dbraw/zinc/50/42/88/1282504288.db2.gz AVKQCLLUYMOTJT-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588417661 1282504298 /nfs/dbraw/zinc/50/42/98/1282504298.db2.gz AVKQCLLUYMOTJT-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001588415252 1282505962 /nfs/dbraw/zinc/50/59/62/1282505962.db2.gz GUIUWJVYTOLBTE-AAEUAGOBSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001588415252 1282505969 /nfs/dbraw/zinc/50/59/69/1282505969.db2.gz GUIUWJVYTOLBTE-AAEUAGOBSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588468918 1282514879 /nfs/dbraw/zinc/51/48/79/1282514879.db2.gz RISUHTZQEUMYMX-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588468918 1282514889 /nfs/dbraw/zinc/51/48/89/1282514889.db2.gz RISUHTZQEUMYMX-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475490 1282518190 /nfs/dbraw/zinc/51/81/90/1282518190.db2.gz MAPGKSASRWOMKK-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475490 1282518196 /nfs/dbraw/zinc/51/81/96/1282518196.db2.gz MAPGKSASRWOMKK-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588490891 1282519358 /nfs/dbraw/zinc/51/93/58/1282519358.db2.gz AUTNSOMTNHCJDR-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588490891 1282519366 /nfs/dbraw/zinc/51/93/66/1282519366.db2.gz AUTNSOMTNHCJDR-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588483318 1282520250 /nfs/dbraw/zinc/52/02/50/1282520250.db2.gz FZVZKOWGBLJZSZ-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588483318 1282520262 /nfs/dbraw/zinc/52/02/62/1282520262.db2.gz FZVZKOWGBLJZSZ-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588491102 1282522555 /nfs/dbraw/zinc/52/25/55/1282522555.db2.gz CWKNXMYMFAXMOH-BZNIZROVSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588491102 1282522562 /nfs/dbraw/zinc/52/25/62/1282522562.db2.gz CWKNXMYMFAXMOH-BZNIZROVSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588497245 1282524807 /nfs/dbraw/zinc/52/48/07/1282524807.db2.gz YJXUUIIBNUIMER-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588497245 1282524812 /nfs/dbraw/zinc/52/48/12/1282524812.db2.gz YJXUUIIBNUIMER-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588497220 1282525443 /nfs/dbraw/zinc/52/54/43/1282525443.db2.gz XUFJRRIZERVRCN-INIZCTEOSA-N -1 1 360.422 0.722 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588497220 1282525455 /nfs/dbraw/zinc/52/54/55/1282525455.db2.gz XUFJRRIZERVRCN-INIZCTEOSA-N -1 1 360.422 0.722 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588498484 1282526511 /nfs/dbraw/zinc/52/65/11/1282526511.db2.gz AIPWDHMPEPRJQD-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588498484 1282526522 /nfs/dbraw/zinc/52/65/22/1282526522.db2.gz AIPWDHMPEPRJQD-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588497259 1282527213 /nfs/dbraw/zinc/52/72/13/1282527213.db2.gz YTXITMLXAHGVKX-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588497259 1282527225 /nfs/dbraw/zinc/52/72/25/1282527225.db2.gz YTXITMLXAHGVKX-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588497262 1282527369 /nfs/dbraw/zinc/52/73/69/1282527369.db2.gz YTXITMLXAHGVKX-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588497262 1282527372 /nfs/dbraw/zinc/52/73/72/1282527372.db2.gz YTXITMLXAHGVKX-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498757 1282527737 /nfs/dbraw/zinc/52/77/37/1282527737.db2.gz CRLNSVNSYXTUTM-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588498757 1282527745 /nfs/dbraw/zinc/52/77/45/1282527745.db2.gz CRLNSVNSYXTUTM-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588498723 1282528850 /nfs/dbraw/zinc/52/88/50/1282528850.db2.gz CORXTJAWSWRXQO-PXAZEXFGSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588498723 1282528855 /nfs/dbraw/zinc/52/88/55/1282528855.db2.gz CORXTJAWSWRXQO-PXAZEXFGSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588499821 1282530782 /nfs/dbraw/zinc/53/07/82/1282530782.db2.gz MVJDYPYHTAJZIQ-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588499821 1282530792 /nfs/dbraw/zinc/53/07/92/1282530792.db2.gz MVJDYPYHTAJZIQ-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588500289 1282532071 /nfs/dbraw/zinc/53/20/71/1282532071.db2.gz UWIZJMCOSOVCKY-APPDUMDISA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588500289 1282532082 /nfs/dbraw/zinc/53/20/82/1282532082.db2.gz UWIZJMCOSOVCKY-APPDUMDISA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588500995 1282533544 /nfs/dbraw/zinc/53/35/44/1282533544.db2.gz HSURPRUKNUXAJK-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588500995 1282533553 /nfs/dbraw/zinc/53/35/53/1282533553.db2.gz HSURPRUKNUXAJK-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588501117 1282533847 /nfs/dbraw/zinc/53/38/47/1282533847.db2.gz JQWBEUSFOMKUPC-YVEFUNNKSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588501117 1282533855 /nfs/dbraw/zinc/53/38/55/1282533855.db2.gz JQWBEUSFOMKUPC-YVEFUNNKSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588500955 1282534656 /nfs/dbraw/zinc/53/46/56/1282534656.db2.gz HFABGALAWKENQN-HOTGVXAUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588500955 1282534668 /nfs/dbraw/zinc/53/46/68/1282534668.db2.gz HFABGALAWKENQN-HOTGVXAUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001588505262 1282545398 /nfs/dbraw/zinc/54/53/98/1282545398.db2.gz OKQVDYHHBWRFIK-SUMWQHHRSA-N -1 1 374.449 0.845 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001588505262 1282545414 /nfs/dbraw/zinc/54/54/14/1282545414.db2.gz OKQVDYHHBWRFIK-SUMWQHHRSA-N -1 1 374.449 0.845 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505385 1282545907 /nfs/dbraw/zinc/54/59/07/1282545907.db2.gz PUPLCBITKQSKGN-PSTGCABASA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505385 1282545913 /nfs/dbraw/zinc/54/59/13/1282545913.db2.gz PUPLCBITKQSKGN-PSTGCABASA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505591 1282546104 /nfs/dbraw/zinc/54/61/04/1282546104.db2.gz SGTLSPBBPCCPAJ-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505591 1282546109 /nfs/dbraw/zinc/54/61/09/1282546109.db2.gz SGTLSPBBPCCPAJ-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588505719 1282548578 /nfs/dbraw/zinc/54/85/78/1282548578.db2.gz VVJLCOUWNNTRJX-HNNXBMFYSA-N -1 1 358.406 0.435 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588505719 1282548584 /nfs/dbraw/zinc/54/85/84/1282548584.db2.gz VVJLCOUWNNTRJX-HNNXBMFYSA-N -1 1 358.406 0.435 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588507063 1282548888 /nfs/dbraw/zinc/54/88/88/1282548888.db2.gz AOAGYGGROPCSIL-GDLVEWKHSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588507063 1282548895 /nfs/dbraw/zinc/54/88/95/1282548895.db2.gz AOAGYGGROPCSIL-GDLVEWKHSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505848 1282549338 /nfs/dbraw/zinc/54/93/38/1282549338.db2.gz YLFPQLCBJOCFLQ-USBNGQNGSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505848 1282549346 /nfs/dbraw/zinc/54/93/46/1282549346.db2.gz YLFPQLCBJOCFLQ-USBNGQNGSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588521760 1282556090 /nfs/dbraw/zinc/55/60/90/1282556090.db2.gz SJJPHXZBTIYXFI-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588521760 1282556099 /nfs/dbraw/zinc/55/60/99/1282556099.db2.gz SJJPHXZBTIYXFI-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588525427 1282558508 /nfs/dbraw/zinc/55/85/08/1282558508.db2.gz XIWGPMUSEZTSSN-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588525427 1282558520 /nfs/dbraw/zinc/55/85/20/1282558520.db2.gz XIWGPMUSEZTSSN-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588572116 1282569110 /nfs/dbraw/zinc/56/91/10/1282569110.db2.gz ZEIORGGKSNGNBT-UHFFFAOYSA-N -1 1 358.406 0.122 20 30 FCEDMM C=CCC[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(=O)OCC ZINC001588578629 1282572988 /nfs/dbraw/zinc/57/29/88/1282572988.db2.gz COUSENFJKCIWND-SNVBAGLBSA-N -1 1 366.403 0.438 20 30 FCEDMM C=CCC[C@H]1CCCN1c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1C ZINC001588582646 1282575984 /nfs/dbraw/zinc/57/59/84/1282575984.db2.gz MYVQHLSUFCCBDX-NSHDSACASA-N -1 1 355.410 0.570 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588590282 1282577747 /nfs/dbraw/zinc/57/77/47/1282577747.db2.gz FZBKQHAKHYKHJY-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001588590645 1282578378 /nfs/dbraw/zinc/57/83/78/1282578378.db2.gz UNGZQTTZTAQTCD-MNOVXSKESA-N -1 1 363.447 0.654 20 30 FCEDMM C=CCCCCCN(C)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1C ZINC001588593403 1282579335 /nfs/dbraw/zinc/57/93/35/1282579335.db2.gz DFXZBQKCFHIUQN-UHFFFAOYSA-N -1 1 357.426 0.818 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588608043 1282581328 /nfs/dbraw/zinc/58/13/28/1282581328.db2.gz DBEUPDYNMNMLHD-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588608043 1282581338 /nfs/dbraw/zinc/58/13/38/1282581338.db2.gz DBEUPDYNMNMLHD-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608584 1282584485 /nfs/dbraw/zinc/58/44/85/1282584485.db2.gz OLBKUTVAWPUPKU-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608584 1282584497 /nfs/dbraw/zinc/58/44/97/1282584497.db2.gz OLBKUTVAWPUPKU-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588608492 1282584854 /nfs/dbraw/zinc/58/48/54/1282584854.db2.gz NHQZSDGITBANFO-CYBMUJFWSA-N -1 1 374.449 0.841 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588608492 1282584865 /nfs/dbraw/zinc/58/48/65/1282584865.db2.gz NHQZSDGITBANFO-CYBMUJFWSA-N -1 1 374.449 0.841 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588609237 1282586645 /nfs/dbraw/zinc/58/66/45/1282586645.db2.gz VPTHBZVXOJAZBR-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588609237 1282586654 /nfs/dbraw/zinc/58/66/54/1282586654.db2.gz VPTHBZVXOJAZBR-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCOCC(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588610453 1282588447 /nfs/dbraw/zinc/58/84/47/1282588447.db2.gz FMGLWAZNRMRZKW-GFCCVEGCSA-N -1 1 360.422 0.817 20 30 FCEDMM C=CCCOCC(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588610453 1282588455 /nfs/dbraw/zinc/58/84/55/1282588455.db2.gz FMGLWAZNRMRZKW-GFCCVEGCSA-N -1 1 360.422 0.817 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588610594 1282589717 /nfs/dbraw/zinc/58/97/17/1282589717.db2.gz INZWHWWVPQZZKP-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588610594 1282589724 /nfs/dbraw/zinc/58/97/24/1282589724.db2.gz INZWHWWVPQZZKP-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588611593 1282589855 /nfs/dbraw/zinc/58/98/55/1282589855.db2.gz UPYHOCDUSYLXKU-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588610651 1282590243 /nfs/dbraw/zinc/59/02/43/1282590243.db2.gz JOWMMTFFXUNOBE-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588610651 1282590252 /nfs/dbraw/zinc/59/02/52/1282590252.db2.gz JOWMMTFFXUNOBE-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588611760 1282590550 /nfs/dbraw/zinc/59/05/50/1282590550.db2.gz WIKZFXGJTFADBJ-WCQYABFASA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588611760 1282590561 /nfs/dbraw/zinc/59/05/61/1282590561.db2.gz WIKZFXGJTFADBJ-WCQYABFASA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001588611010 1282590583 /nfs/dbraw/zinc/59/05/83/1282590583.db2.gz PFFTZROOFBQBIR-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588611010 1282590592 /nfs/dbraw/zinc/59/05/92/1282590592.db2.gz PFFTZROOFBQBIR-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588615978 1282593673 /nfs/dbraw/zinc/59/36/73/1282593673.db2.gz POUGLCSKXLTRLA-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588615978 1282593682 /nfs/dbraw/zinc/59/36/82/1282593682.db2.gz POUGLCSKXLTRLA-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616856 1282597752 /nfs/dbraw/zinc/59/77/52/1282597752.db2.gz NWJHLUZCIRIMHE-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616856 1282597760 /nfs/dbraw/zinc/59/77/60/1282597760.db2.gz NWJHLUZCIRIMHE-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588617705 1282597811 /nfs/dbraw/zinc/59/78/11/1282597811.db2.gz YEILZTWVMCYSEX-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588617572 1282598311 /nfs/dbraw/zinc/59/83/11/1282598311.db2.gz WBTQUIGWTRLTLT-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588617572 1282598322 /nfs/dbraw/zinc/59/83/22/1282598322.db2.gz WBTQUIGWTRLTLT-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588617691 1282599292 /nfs/dbraw/zinc/59/92/92/1282599292.db2.gz XRJUPQSXZGMBSE-ZDUSSCGKSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588617349 1282599550 /nfs/dbraw/zinc/59/95/50/1282599550.db2.gz UZRLPBMAOMPQNE-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588617349 1282599562 /nfs/dbraw/zinc/59/95/62/1282599562.db2.gz UZRLPBMAOMPQNE-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCO[C@H]1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2C)C1 ZINC001588665856 1282619777 /nfs/dbraw/zinc/61/97/77/1282619777.db2.gz RSFYRZYVSJJHMM-JTQLQIEISA-N -1 1 354.378 0.234 20 30 FCEDMM C=CCO[C@H]1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2C)C1 ZINC001588665856 1282619786 /nfs/dbraw/zinc/61/97/86/1282619786.db2.gz RSFYRZYVSJJHMM-JTQLQIEISA-N -1 1 354.378 0.234 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588667038 1282622498 /nfs/dbraw/zinc/62/24/98/1282622498.db2.gz QCUQLHVYJCNHCR-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588667038 1282622510 /nfs/dbraw/zinc/62/25/10/1282622510.db2.gz QCUQLHVYJCNHCR-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588667312 1282623590 /nfs/dbraw/zinc/62/35/90/1282623590.db2.gz VMUFCXANPUDKMU-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588667312 1282623596 /nfs/dbraw/zinc/62/35/96/1282623596.db2.gz VMUFCXANPUDKMU-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588674502 1282630543 /nfs/dbraw/zinc/63/05/43/1282630543.db2.gz OWICXHXNHLJLDB-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588674502 1282630555 /nfs/dbraw/zinc/63/05/55/1282630555.db2.gz OWICXHXNHLJLDB-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001588675790 1282633593 /nfs/dbraw/zinc/63/35/93/1282633593.db2.gz JYILDOXZAQRNAW-MRVPVSSYSA-N -1 1 369.838 0.874 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001588675790 1282633602 /nfs/dbraw/zinc/63/36/02/1282633602.db2.gz JYILDOXZAQRNAW-MRVPVSSYSA-N -1 1 369.838 0.874 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588680864 1282636598 /nfs/dbraw/zinc/63/65/98/1282636598.db2.gz FTUHVLCDAYUEDS-XYPYZODXSA-N -1 1 358.406 0.481 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588680864 1282636608 /nfs/dbraw/zinc/63/66/08/1282636608.db2.gz FTUHVLCDAYUEDS-XYPYZODXSA-N -1 1 358.406 0.481 20 30 FCEDMM C=CCOCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588680766 1282637888 /nfs/dbraw/zinc/63/78/88/1282637888.db2.gz CKCRSOFXQCBMFL-CYBMUJFWSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682017 1282640884 /nfs/dbraw/zinc/64/08/84/1282640884.db2.gz UFJNAZVTSQEJAC-GFCCVEGCSA-N -1 1 358.406 0.074 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCC2(COC2)C1 ZINC001588699707 1282651671 /nfs/dbraw/zinc/65/16/71/1282651671.db2.gz LXILIYZDYNNRBF-UHFFFAOYSA-N -1 1 354.378 0.261 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001588703744 1282653701 /nfs/dbraw/zinc/65/37/01/1282653701.db2.gz FHCBOFTXYMLYPM-JTQLQIEISA-N -1 1 371.405 0.723 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001588703744 1282653714 /nfs/dbraw/zinc/65/37/14/1282653714.db2.gz FHCBOFTXYMLYPM-JTQLQIEISA-N -1 1 371.405 0.723 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC=C(C)CC1 ZINC001588708089 1282655013 /nfs/dbraw/zinc/65/50/13/1282655013.db2.gz CVKQXLBHLGPNSW-UHFFFAOYSA-N -1 1 353.394 0.440 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588722083 1282669600 /nfs/dbraw/zinc/66/96/00/1282669600.db2.gz SUGZBCBAQLNZIC-TUAOUCFPSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588722083 1282669615 /nfs/dbraw/zinc/66/96/15/1282669615.db2.gz SUGZBCBAQLNZIC-TUAOUCFPSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cncc(-c2nnn[n-]2)n1 ZINC001588723429 1282671195 /nfs/dbraw/zinc/67/11/95/1282671195.db2.gz MXOIGYBBJXCEBI-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cncc(-c2nn[n-]n2)n1 ZINC001588723429 1282671210 /nfs/dbraw/zinc/67/12/10/1282671210.db2.gz MXOIGYBBJXCEBI-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588723391 1282672016 /nfs/dbraw/zinc/67/20/16/1282672016.db2.gz LSQDQOMSCAFZSN-OCCSQVGLSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588723391 1282672022 /nfs/dbraw/zinc/67/20/22/1282672022.db2.gz LSQDQOMSCAFZSN-OCCSQVGLSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001588727869 1282675563 /nfs/dbraw/zinc/67/55/63/1282675563.db2.gz KKESIAVPPHPYNW-KOLCDFICSA-N -1 1 361.410 0.090 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001588727869 1282675576 /nfs/dbraw/zinc/67/55/76/1282675576.db2.gz KKESIAVPPHPYNW-KOLCDFICSA-N -1 1 361.410 0.090 20 30 FCEDMM CC#CCCCC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588743591 1282681325 /nfs/dbraw/zinc/68/13/25/1282681325.db2.gz GUVQTBXFSAMGHZ-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588743591 1282681341 /nfs/dbraw/zinc/68/13/41/1282681341.db2.gz GUVQTBXFSAMGHZ-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588740840 1282682187 /nfs/dbraw/zinc/68/21/87/1282682187.db2.gz YDGBWSKUHILULS-QWHCGFSZSA-N -1 1 356.434 0.967 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588743375 1282682623 /nfs/dbraw/zinc/68/26/23/1282682623.db2.gz BSHHKXPNWCFIJD-CYBMUJFWSA-N -1 1 354.418 0.854 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588743375 1282682633 /nfs/dbraw/zinc/68/26/33/1282682633.db2.gz BSHHKXPNWCFIJD-CYBMUJFWSA-N -1 1 354.418 0.854 20 30 FCEDMM CC#CCCCC(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588740122 1282682686 /nfs/dbraw/zinc/68/26/86/1282682686.db2.gz GUTPLUIOTMUUNT-SFHVURJKSA-N -1 1 368.445 0.969 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588744075 1282687132 /nfs/dbraw/zinc/68/71/32/1282687132.db2.gz QDEUIOXEBBCKDA-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588744075 1282687140 /nfs/dbraw/zinc/68/71/40/1282687140.db2.gz QDEUIOXEBBCKDA-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943377 1282736956 /nfs/dbraw/zinc/73/69/56/1282736956.db2.gz LQVRQAABWZTQOO-NSHDSACASA-N -1 1 352.362 0.357 20 30 FCEDMM C[C@@H](C(=O)NC(C)(C)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588965802 1282745465 /nfs/dbraw/zinc/74/54/65/1282745465.db2.gz LRBBJXPRXHMZDC-JTQLQIEISA-N -1 1 351.374 0.942 20 30 FCEDMM CC(C)C#CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589379872 1282854054 /nfs/dbraw/zinc/85/40/54/1282854054.db2.gz DKUQXDSAMUBFIQ-UHFFFAOYSA-N -1 1 368.445 0.920 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001589388505 1282866772 /nfs/dbraw/zinc/86/67/72/1282866772.db2.gz YMMKNQNEGVHXRP-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589388505 1282866785 /nfs/dbraw/zinc/86/67/85/1282866785.db2.gz YMMKNQNEGVHXRP-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387840 1282868793 /nfs/dbraw/zinc/86/87/93/1282868793.db2.gz QENGEKXJYNDBFK-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387840 1282868801 /nfs/dbraw/zinc/86/88/01/1282868801.db2.gz QENGEKXJYNDBFK-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM C[C@@H](CNC(=O)CC#Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589853916 1283088857 /nfs/dbraw/zinc/08/88/57/1283088857.db2.gz HRVHPROKPJYIGQ-ZDUSSCGKSA-N -1 1 362.397 0.437 20 30 FCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986999 1283157001 /nfs/dbraw/zinc/15/70/01/1283157001.db2.gz AZMVHUGNHZMGPX-SMDDNHRTSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986999 1283157009 /nfs/dbraw/zinc/15/70/09/1283157009.db2.gz AZMVHUGNHZMGPX-SMDDNHRTSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985505 1283157098 /nfs/dbraw/zinc/15/70/98/1283157098.db2.gz KLMYWASNOASVLA-QWHCGFSZSA-N -1 1 368.445 0.777 20 30 FCEDMM C[C@]1(C#N)CN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001590056978 1283191024 /nfs/dbraw/zinc/19/10/24/1283191024.db2.gz VGNDKIVGGBMAKL-LBPRGKRZSA-N -1 1 354.417 0.372 20 30 FCEDMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108673 1283220297 /nfs/dbraw/zinc/22/02/97/1283220297.db2.gz CUHIHTYKCPNLAG-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108673 1283220301 /nfs/dbraw/zinc/22/03/01/1283220301.db2.gz CUHIHTYKCPNLAG-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590168041 1283261085 /nfs/dbraw/zinc/26/10/85/1283261085.db2.gz JEBBMCVFSUGRNT-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590168041 1283261092 /nfs/dbraw/zinc/26/10/92/1283261092.db2.gz JEBBMCVFSUGRNT-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590168039 1283262299 /nfs/dbraw/zinc/26/22/99/1283262299.db2.gz JEBBMCVFSUGRNT-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590168039 1283262308 /nfs/dbraw/zinc/26/23/08/1283262308.db2.gz JEBBMCVFSUGRNT-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590199673 1283314728 /nfs/dbraw/zinc/31/47/28/1283314728.db2.gz VNULTMKLMLYVEY-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590199673 1283314740 /nfs/dbraw/zinc/31/47/40/1283314740.db2.gz VNULTMKLMLYVEY-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590233028 1283365399 /nfs/dbraw/zinc/36/53/99/1283365399.db2.gz FZCWNIVKNOVLHY-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590233028 1283365412 /nfs/dbraw/zinc/36/54/12/1283365412.db2.gz FZCWNIVKNOVLHY-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccncc1C#N ZINC001590318693 1283462322 /nfs/dbraw/zinc/46/23/22/1283462322.db2.gz VBRMSPZLZXJUJW-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccncc1C#N ZINC001590318693 1283462327 /nfs/dbraw/zinc/46/23/27/1283462327.db2.gz VBRMSPZLZXJUJW-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001604543399 1287652286 /nfs/dbraw/zinc/65/22/86/1287652286.db2.gz KHZHZLXFYLXHOV-NEPJUHHUSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001604543399 1287652288 /nfs/dbraw/zinc/65/22/88/1287652288.db2.gz KHZHZLXFYLXHOV-NEPJUHHUSA-N -1 1 369.433 0.854 20 30 FCEDMM CCCC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C#CC1CC1 ZINC001590581003 1283616738 /nfs/dbraw/zinc/61/67/38/1283616738.db2.gz FSKGQUZYUGXETG-ZDUSSCGKSA-N -1 1 354.418 0.579 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590665731 1283711421 /nfs/dbraw/zinc/71/14/21/1283711421.db2.gz GWSVZBYJVCWLFT-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590665731 1283711431 /nfs/dbraw/zinc/71/14/31/1283711431.db2.gz GWSVZBYJVCWLFT-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CCOCCCN(C[C@H](C)C(=O)OC)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590810245 1283884885 /nfs/dbraw/zinc/88/48/85/1283884885.db2.gz FYXKVZLCAMSKOV-NSHDSACASA-N -1 1 374.405 0.570 20 30 FCEDMM CN(CC(=O)NCCC1=CCCCC1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591038815 1284100918 /nfs/dbraw/zinc/10/09/18/1284100918.db2.gz WLPAOZHLTIMYEH-UHFFFAOYSA-N -1 1 367.417 0.971 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056639 1284116202 /nfs/dbraw/zinc/11/62/02/1284116202.db2.gz PWNRMZSFDRORLB-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056639 1284116207 /nfs/dbraw/zinc/11/62/07/1284116207.db2.gz PWNRMZSFDRORLB-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(Cc1cc(C#N)cs1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591130992 1284205496 /nfs/dbraw/zinc/20/54/96/1284205496.db2.gz SFZJZGOHRMWOSR-UHFFFAOYSA-N -1 1 358.391 0.233 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591160021 1284234228 /nfs/dbraw/zinc/23/42/28/1284234228.db2.gz JKTMQSMDWVXTCJ-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591160021 1284234233 /nfs/dbraw/zinc/23/42/33/1284234233.db2.gz JKTMQSMDWVXTCJ-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CNS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001591221132 1284363209 /nfs/dbraw/zinc/36/32/09/1284363209.db2.gz VHEAQUIRGFYHPN-UHFFFAOYSA-N -1 1 371.386 0.049 20 30 FCEDMM COc1ccc([C@@H](CO)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001591578728 1284748436 /nfs/dbraw/zinc/74/84/36/1284748436.db2.gz RKIRWAWNVQCCDN-LLVKDONJSA-N -1 1 352.358 0.725 20 30 FCEDMM COc1ccc([C@@H](CO)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001591578728 1284748448 /nfs/dbraw/zinc/74/84/48/1284748448.db2.gz RKIRWAWNVQCCDN-LLVKDONJSA-N -1 1 352.358 0.725 20 30 FCEDMM COc1ccc(NC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c(OC)c1 ZINC001591609931 1284771681 /nfs/dbraw/zinc/77/16/81/1284771681.db2.gz ZJLCAUDOLAEYON-UHFFFAOYSA-N -1 1 368.357 0.899 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@](F)(C#N)C1 ZINC001591793690 1284906677 /nfs/dbraw/zinc/90/66/77/1284906677.db2.gz NHMWYHUJWYQYDP-INIZCTEOSA-N -1 1 359.365 0.981 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882358 1284970273 /nfs/dbraw/zinc/97/02/73/1284970273.db2.gz GDSKFWWYCFYCSY-CYBMUJFWSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882358 1284970276 /nfs/dbraw/zinc/97/02/76/1284970276.db2.gz GDSKFWWYCFYCSY-CYBMUJFWSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001591887770 1284977259 /nfs/dbraw/zinc/97/72/59/1284977259.db2.gz PRAAUAMKLHHIBA-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001591887770 1284977268 /nfs/dbraw/zinc/97/72/68/1284977268.db2.gz PRAAUAMKLHHIBA-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001591894098 1284983489 /nfs/dbraw/zinc/98/34/89/1284983489.db2.gz YZGGTEHWWUGOEU-IINYFYTJSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001591894098 1284983498 /nfs/dbraw/zinc/98/34/98/1284983498.db2.gz YZGGTEHWWUGOEU-IINYFYTJSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1 ZINC001591906414 1284996883 /nfs/dbraw/zinc/99/68/83/1284996883.db2.gz HTSJQHVJJGOTSS-UHFFFAOYSA-N -1 1 363.389 0.262 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1 ZINC001591906414 1284996893 /nfs/dbraw/zinc/99/68/93/1284996893.db2.gz HTSJQHVJJGOTSS-UHFFFAOYSA-N -1 1 363.389 0.262 20 30 FCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC001591989028 1285041367 /nfs/dbraw/zinc/04/13/67/1285041367.db2.gz MAJLPPFTQYKREO-ZDUSSCGKSA-N -1 1 354.342 0.941 20 30 FCEDMM Cc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1F ZINC001592127726 1285156574 /nfs/dbraw/zinc/15/65/74/1285156574.db2.gz PZJHPNRYNYPDDX-UHFFFAOYSA-N -1 1 367.348 0.818 20 30 FCEDMM Cc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1F ZINC001592127726 1285156577 /nfs/dbraw/zinc/15/65/77/1285156577.db2.gz PZJHPNRYNYPDDX-UHFFFAOYSA-N -1 1 367.348 0.818 20 30 FCEDMM Cc1cccc(NC(=O)NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1C ZINC001592235935 1285193358 /nfs/dbraw/zinc/19/33/58/1285193358.db2.gz ZTAXPFJODBVIFF-UHFFFAOYSA-N -1 1 365.357 0.900 20 30 FCEDMM Cc1nn(C[C@H](O)COc2ccc(C#N)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436485 1285369476 /nfs/dbraw/zinc/36/94/76/1285369476.db2.gz RXZAEITZUPTCBC-ZDUSSCGKSA-N -1 1 367.369 0.352 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001604831862 1287792685 /nfs/dbraw/zinc/79/26/85/1287792685.db2.gz RILQPELSGSGNGU-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM N#C[C@H]1CN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CCN1C1CC1 ZINC001592671442 1285567036 /nfs/dbraw/zinc/56/70/36/1285567036.db2.gz HAUOOFLXYYHFFI-AWEZNQCLSA-N -1 1 366.429 0.147 20 30 FCEDMM N#CCSCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001592679048 1285574051 /nfs/dbraw/zinc/57/40/51/1285574051.db2.gz DHNQPILWLSHHCC-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001592679048 1285574054 /nfs/dbraw/zinc/57/40/54/1285574054.db2.gz DHNQPILWLSHHCC-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCOc1cccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)c1 ZINC001592679905 1285578174 /nfs/dbraw/zinc/57/81/74/1285578174.db2.gz ACJVGSQHYDFFOF-UHFFFAOYSA-N -1 1 371.382 0.643 20 30 FCEDMM N#CCSCC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001592679668 1285579431 /nfs/dbraw/zinc/57/94/31/1285579431.db2.gz YUJIWIBTIOYNQZ-UHFFFAOYSA-N -1 1 358.840 0.761 20 30 FCEDMM N#CCSCC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001592679668 1285579437 /nfs/dbraw/zinc/57/94/37/1285579437.db2.gz YUJIWIBTIOYNQZ-UHFFFAOYSA-N -1 1 358.840 0.761 20 30 FCEDMM N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001592680075 1285579808 /nfs/dbraw/zinc/57/98/08/1285579808.db2.gz DFRDIRFRFOJCCX-PHIMTYICSA-N -1 1 371.430 0.093 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001592686391 1285584092 /nfs/dbraw/zinc/58/40/92/1285584092.db2.gz KIYHAFCAGFWLSY-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001592686391 1285584106 /nfs/dbraw/zinc/58/41/06/1285584106.db2.gz KIYHAFCAGFWLSY-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc([C@@H]2CN(Cn3cccc(-c4nn[n-]n4)c3=O)CCO2)cc1 ZINC001592692194 1285585185 /nfs/dbraw/zinc/58/51/85/1285585185.db2.gz SPQLADGVYAIPSU-INIZCTEOSA-N -1 1 363.381 0.931 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C2 ZINC001592697881 1285587924 /nfs/dbraw/zinc/58/79/24/1285587924.db2.gz WRLWTGUMQUUDRR-CYBMUJFWSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ccccc3F)C2=O)cnc1-c1nnn[n-]1 ZINC001592708164 1285592527 /nfs/dbraw/zinc/59/25/27/1285592527.db2.gz XTMRIVTXGYCAHF-JTQLQIEISA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ccccc3F)C2=O)cnc1-c1nn[n-]n1 ZINC001592708164 1285592529 /nfs/dbraw/zinc/59/25/29/1285592529.db2.gz XTMRIVTXGYCAHF-JTQLQIEISA-N -1 1 365.332 0.885 20 30 FCEDMM O=C(C#CC1CC1)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001592766904 1285688630 /nfs/dbraw/zinc/68/86/30/1285688630.db2.gz VQEQOIJREOSRJW-UHFFFAOYSA-N -1 1 368.401 0.147 20 30 FCEDMM O=C(C#CC1CC1)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001592766904 1285688636 /nfs/dbraw/zinc/68/86/36/1285688636.db2.gz VQEQOIJREOSRJW-UHFFFAOYSA-N -1 1 368.401 0.147 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592766412 1285688650 /nfs/dbraw/zinc/68/86/50/1285688650.db2.gz LBNLWUGGIUSMNF-RDTXWAMCSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592766412 1285688657 /nfs/dbraw/zinc/68/86/57/1285688657.db2.gz LBNLWUGGIUSMNF-RDTXWAMCSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592766411 1285688895 /nfs/dbraw/zinc/68/88/95/1285688895.db2.gz LBNLWUGGIUSMNF-KSSFIOAISA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592766411 1285688900 /nfs/dbraw/zinc/68/89/00/1285688900.db2.gz LBNLWUGGIUSMNF-KSSFIOAISA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001592766143 1285689203 /nfs/dbraw/zinc/68/92/03/1285689203.db2.gz DPKKLQVYQGVKSO-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001592766143 1285689207 /nfs/dbraw/zinc/68/92/07/1285689207.db2.gz DPKKLQVYQGVKSO-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)NCCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592767380 1285690105 /nfs/dbraw/zinc/69/01/05/1285690105.db2.gz CCRNHWSCQIXRSK-UHFFFAOYSA-N -1 1 364.413 0.713 20 30 FCEDMM O=C(C#CC1CC1)NCCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592767380 1285690113 /nfs/dbraw/zinc/69/01/13/1285690113.db2.gz CCRNHWSCQIXRSK-UHFFFAOYSA-N -1 1 364.413 0.713 20 30 FCEDMM O=c1nc(NN=C2CCCc3cc(-c4nn[nH]n4)cnc32)nc2[nH][n-]cc1-2 ZINC001593488293 1286177250 /nfs/dbraw/zinc/17/72/50/1286177250.db2.gz IKVUBWLVAFHNNI-UHFFFAOYSA-N -1 1 363.345 0.160 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cn1 ZINC001601113284 1286638130 /nfs/dbraw/zinc/63/81/30/1286638130.db2.gz UEBAHLIEONSQQT-UHFFFAOYSA-N -1 1 374.378 0.497 20 30 FCEDMM COc1ccc(CNC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001609355463 1289115613 /nfs/dbraw/zinc/11/56/13/1289115613.db2.gz IOMIESXLQAKVQM-UHFFFAOYSA-N -1 1 352.358 0.568 20 30 FCEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001602697585 1287059749 /nfs/dbraw/zinc/05/97/49/1287059749.db2.gz OOAPKRNYWCBCOU-JSGCOSHPSA-N -1 1 350.386 0.770 20 30 FCEDMM C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001602697591 1287060446 /nfs/dbraw/zinc/06/04/46/1287060446.db2.gz OOAPKRNYWCBCOU-TZMCWYRMSA-N -1 1 350.386 0.770 20 30 FCEDMM C#CC[C@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001602697985 1287061849 /nfs/dbraw/zinc/06/18/49/1287061849.db2.gz WRPZIMYQHOACIE-SNVBAGLBSA-N -1 1 358.427 0.975 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602701942 1287061948 /nfs/dbraw/zinc/06/19/48/1287061948.db2.gz APZPELQFLWVPHJ-HIFRSBDPSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602701942 1287061959 /nfs/dbraw/zinc/06/19/59/1287061959.db2.gz APZPELQFLWVPHJ-HIFRSBDPSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602701943 1287062602 /nfs/dbraw/zinc/06/26/02/1287062602.db2.gz APZPELQFLWVPHJ-UKRRQHHQSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602701943 1287062615 /nfs/dbraw/zinc/06/26/15/1287062615.db2.gz APZPELQFLWVPHJ-UKRRQHHQSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001602703367 1287067043 /nfs/dbraw/zinc/06/70/43/1287067043.db2.gz OVWPMBGWHMZUGG-ZDUSSCGKSA-N -1 1 354.418 0.531 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602714076 1287072431 /nfs/dbraw/zinc/07/24/31/1287072431.db2.gz IXCXJLCQKBSEMJ-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602714076 1287072447 /nfs/dbraw/zinc/07/24/47/1287072447.db2.gz IXCXJLCQKBSEMJ-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCCO1 ZINC001602716595 1287074523 /nfs/dbraw/zinc/07/45/23/1287074523.db2.gz IPXQDQONVKFMKG-SNVBAGLBSA-N -1 1 354.378 0.097 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001602724532 1287081081 /nfs/dbraw/zinc/08/10/81/1287081081.db2.gz GNYHKJKULGJIPG-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001602724532 1287081088 /nfs/dbraw/zinc/08/10/88/1287081088.db2.gz GNYHKJKULGJIPG-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602726660 1287089415 /nfs/dbraw/zinc/08/94/15/1287089415.db2.gz GSODUCIEODKOIZ-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602726660 1287089424 /nfs/dbraw/zinc/08/94/24/1287089424.db2.gz GSODUCIEODKOIZ-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602726754 1287090144 /nfs/dbraw/zinc/09/01/44/1287090144.db2.gz SSPVXBVZSXCSJA-GFCCVEGCSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602726754 1287090149 /nfs/dbraw/zinc/09/01/49/1287090149.db2.gz SSPVXBVZSXCSJA-GFCCVEGCSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001602727156 1287091092 /nfs/dbraw/zinc/09/10/92/1287091092.db2.gz VPVHTTDKBDXOLK-NSHDSACASA-N -1 1 363.447 0.930 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1CC ZINC001602727048 1287091503 /nfs/dbraw/zinc/09/15/03/1287091503.db2.gz KFJUJFUTCGQQGC-SGMGOOAPSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001602727048 1287091512 /nfs/dbraw/zinc/09/15/12/1287091512.db2.gz KFJUJFUTCGQQGC-SGMGOOAPSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001602727495 1287093351 /nfs/dbraw/zinc/09/33/51/1287093351.db2.gz OLPWFZUZJZQGIC-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602727495 1287093355 /nfs/dbraw/zinc/09/33/55/1287093355.db2.gz OLPWFZUZJZQGIC-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602727759 1287094912 /nfs/dbraw/zinc/09/49/12/1287094912.db2.gz RIYCVKPPWQSPPL-UTUOFQBUSA-N -1 1 356.390 0.063 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602727759 1287094923 /nfs/dbraw/zinc/09/49/23/1287094923.db2.gz RIYCVKPPWQSPPL-UTUOFQBUSA-N -1 1 356.390 0.063 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602727542 1287094936 /nfs/dbraw/zinc/09/49/36/1287094936.db2.gz ZDVRZLLOTQERTR-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602727542 1287094942 /nfs/dbraw/zinc/09/49/42/1287094942.db2.gz ZDVRZLLOTQERTR-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001602729209 1287095674 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C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001602983015 1287174380 /nfs/dbraw/zinc/17/43/80/1287174380.db2.gz DNLGRTPAOWTSCU-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C(=O)OCCCOc1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001603031958 1287193520 /nfs/dbraw/zinc/19/35/20/1287193520.db2.gz MIROPMPFDPUEOX-LLVKDONJSA-N -1 1 368.357 0.903 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603051601 1287197766 /nfs/dbraw/zinc/19/77/66/1287197766.db2.gz QOGJUTJWZMBCOI-UHFFFAOYSA-N -1 1 368.445 0.921 20 30 FCEDMM COC(=O)C(C)(C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001604900374 1287811441 /nfs/dbraw/zinc/81/14/41/1287811441.db2.gz AILFJPBQVQCZOD-JTQLQIEISA-N -1 1 356.390 0.944 20 30 FCEDMM COC(=O)C(C)(C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001604900374 1287811443 /nfs/dbraw/zinc/81/14/43/1287811443.db2.gz AILFJPBQVQCZOD-JTQLQIEISA-N -1 1 356.390 0.944 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001605426891 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BAJBJTQHRQJVHZ-MNOVXSKESA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573571795 947104742 /nfs/dbraw/zinc/10/47/42/947104742.db2.gz BAJBJTQHRQJVHZ-MNOVXSKESA-N -1 1 353.390 0.291 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573305880 947163817 /nfs/dbraw/zinc/16/38/17/947163817.db2.gz GYUOWXZUVASTFS-SJORKVTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573305880 947163826 /nfs/dbraw/zinc/16/38/26/947163826.db2.gz GYUOWXZUVASTFS-SJORKVTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573309177 947190997 /nfs/dbraw/zinc/19/09/97/947190997.db2.gz DLHOSTBGSPPADE-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573309177 947191002 /nfs/dbraw/zinc/19/10/02/947191002.db2.gz DLHOSTBGSPPADE-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573582653 947194117 /nfs/dbraw/zinc/19/41/17/947194117.db2.gz FWHLWNPLXHSIEC-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573582653 947194122 /nfs/dbraw/zinc/19/41/22/947194122.db2.gz FWHLWNPLXHSIEC-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309311 947196069 /nfs/dbraw/zinc/19/60/69/947196069.db2.gz GRGKPAHLGGXPHS-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309311 947196076 /nfs/dbraw/zinc/19/60/76/947196076.db2.gz GRGKPAHLGGXPHS-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573309421 947197665 /nfs/dbraw/zinc/19/76/65/947197665.db2.gz ISVOSJJAJXLFEJ-AWEZNQCLSA-N -1 1 351.436 0.511 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309369 947199035 /nfs/dbraw/zinc/19/90/35/947199035.db2.gz HTTHTVQHRXQGBR-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309369 947199039 /nfs/dbraw/zinc/19/90/39/947199039.db2.gz HTTHTVQHRXQGBR-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573309934 947213313 /nfs/dbraw/zinc/21/33/13/947213313.db2.gz QEKYKOGBBIABGA-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573309934 947213325 /nfs/dbraw/zinc/21/33/25/947213325.db2.gz QEKYKOGBBIABGA-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573310026 947214536 /nfs/dbraw/zinc/21/45/36/947214536.db2.gz RDPNWURHLFSGBK-MRXNPFEDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573310026 947214545 /nfs/dbraw/zinc/21/45/45/947214545.db2.gz RDPNWURHLFSGBK-MRXNPFEDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573310316 947221279 /nfs/dbraw/zinc/22/12/79/947221279.db2.gz WCDLGWXETXZBCD-PIGZYNQJSA-N -1 1 374.449 0.989 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573310316 947221286 /nfs/dbraw/zinc/22/12/86/947221286.db2.gz WCDLGWXETXZBCD-PIGZYNQJSA-N -1 1 374.449 0.989 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573585757 947268351 /nfs/dbraw/zinc/26/83/51/947268351.db2.gz VUZSXKNXDOCBHJ-GHMZBOCLSA-N -1 1 355.406 0.537 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573319484 947330950 /nfs/dbraw/zinc/33/09/50/947330950.db2.gz ORGRSYOMLCKDSH-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573319484 947330956 /nfs/dbraw/zinc/33/09/56/947330956.db2.gz ORGRSYOMLCKDSH-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573329990 947430703 /nfs/dbraw/zinc/43/07/03/947430703.db2.gz RWOQVBUVCAGEKA-CYBMUJFWSA-N -1 1 372.433 0.413 20 30 FCEDMM C=CCCC(=O)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573329990 947430715 /nfs/dbraw/zinc/43/07/15/947430715.db2.gz RWOQVBUVCAGEKA-CYBMUJFWSA-N -1 1 372.433 0.413 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573334401 947453840 /nfs/dbraw/zinc/45/38/40/947453840.db2.gz MZSLDYYRCIRJTJ-VXGBXAGGSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573335636 947484742 /nfs/dbraw/zinc/48/47/42/947484742.db2.gz CBGQKJVPVOLPEA-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573335636 947484751 /nfs/dbraw/zinc/48/47/51/947484751.db2.gz CBGQKJVPVOLPEA-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573337332 947517128 /nfs/dbraw/zinc/51/71/28/947517128.db2.gz VYDOGSDEEJRULG-LBPRGKRZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573337332 947517136 /nfs/dbraw/zinc/51/71/36/947517136.db2.gz VYDOGSDEEJRULG-LBPRGKRZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573342857 947548472 /nfs/dbraw/zinc/54/84/72/947548472.db2.gz FRUBVBKGKPXKEV-ZDUSSCGKSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573342857 947548479 /nfs/dbraw/zinc/54/84/79/947548479.db2.gz FRUBVBKGKPXKEV-ZDUSSCGKSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573343795 947564229 /nfs/dbraw/zinc/56/42/29/947564229.db2.gz STYZNESXJMNLKH-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCC(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573343795 947564238 /nfs/dbraw/zinc/56/42/38/947564238.db2.gz STYZNESXJMNLKH-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573614367 947583169 /nfs/dbraw/zinc/58/31/69/947583169.db2.gz MDXHTHDMVUHISD-JTQLQIEISA-N -1 1 364.373 0.214 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573351826 947620753 /nfs/dbraw/zinc/62/07/53/947620753.db2.gz VUACHNZTVWPMSZ-UPJWGTAASA-N -1 1 372.433 0.367 20 30 FCEDMM N#Cc1ncn(CC(=O)Nc2ccnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000826387983 948192430 /nfs/dbraw/zinc/19/24/30/948192430.db2.gz CRNJGIFZFQIKHZ-UHFFFAOYSA-N -1 1 352.362 0.885 20 30 FCEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CSCCSC1 ZINC001573754585 948745000 /nfs/dbraw/zinc/74/50/00/948745000.db2.gz IHOWQHSXUJCMGP-SSDOTTSWSA-N -1 1 365.448 0.485 20 30 FCEDMM CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435249 948990649 /nfs/dbraw/zinc/99/06/49/948990649.db2.gz QUYHDYYUOVQAGZ-GFCCVEGCSA-N -1 1 369.389 0.952 20 30 FCEDMM CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435249 948990662 /nfs/dbraw/zinc/99/06/62/948990662.db2.gz QUYHDYYUOVQAGZ-GFCCVEGCSA-N -1 1 369.389 0.952 20 30 FCEDMM CC(C)(C)C(=O)N1CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001573792083 949234320 /nfs/dbraw/zinc/23/43/20/949234320.db2.gz JUTCWDGXDPQVQK-UHFFFAOYSA-N -1 1 355.406 0.977 20 30 FCEDMM CC(C)CC(=O)N1CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001574106992 949275247 /nfs/dbraw/zinc/27/52/47/949275247.db2.gz IJERRUFDFVBPKS-UHFFFAOYSA-N -1 1 355.406 0.977 20 30 FCEDMM C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574737970 950157986 /nfs/dbraw/zinc/15/79/86/950157986.db2.gz ADJWFHYNNMGCLO-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574737970 950157999 /nfs/dbraw/zinc/15/79/99/950157999.db2.gz ADJWFHYNNMGCLO-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(C#N)n1C ZINC001570966793 950188992 /nfs/dbraw/zinc/18/89/92/950188992.db2.gz ZNSFLMLJUMCHFH-UHFFFAOYSA-N -1 1 354.378 0.087 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(C#N)n1C ZINC001570966793 950189002 /nfs/dbraw/zinc/18/90/02/950189002.db2.gz ZNSFLMLJUMCHFH-UHFFFAOYSA-N -1 1 354.378 0.087 20 30 FCEDMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001570971908 950354884 /nfs/dbraw/zinc/35/48/84/950354884.db2.gz WKHDQLFCJRWVJW-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001570971908 950354902 /nfs/dbraw/zinc/35/49/02/950354902.db2.gz WKHDQLFCJRWVJW-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574745398 950383678 /nfs/dbraw/zinc/38/36/78/950383678.db2.gz JDHUGTHZVIJPDM-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574745398 950383699 /nfs/dbraw/zinc/38/36/99/950383699.db2.gz JDHUGTHZVIJPDM-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574995341 950508217 /nfs/dbraw/zinc/50/82/17/950508217.db2.gz DXCZYBUXIDSUDG-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753576 950530122 /nfs/dbraw/zinc/53/01/22/950530122.db2.gz PRSCUDKTUOXVHD-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753576 950530141 /nfs/dbraw/zinc/53/01/41/950530141.db2.gz PRSCUDKTUOXVHD-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)COc2ccccc2O1 ZINC001575614652 950542244 /nfs/dbraw/zinc/54/22/44/950542244.db2.gz LGSUAWCSVKQVFP-HNNXBMFYSA-N -1 1 352.314 0.630 20 30 FCEDMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575926674 950718333 /nfs/dbraw/zinc/71/83/33/950718333.db2.gz KZZYWUDTMYUZKF-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575926674 950718354 /nfs/dbraw/zinc/71/83/54/950718354.db2.gz KZZYWUDTMYUZKF-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cc[nH]n1 ZINC001590648294 950960929 /nfs/dbraw/zinc/96/09/29/950960929.db2.gz FHPFBWWUQUZQDN-HNNXBMFYSA-N -1 1 352.347 0.017 20 30 FCEDMM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001571004793 951157151 /nfs/dbraw/zinc/15/71/51/951157151.db2.gz QZKRKAQNXXOLSI-UHFFFAOYSA-N -1 1 362.304 0.792 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571008784 951205033 /nfs/dbraw/zinc/20/50/33/951205033.db2.gz GBXGXFWUCDXLBT-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571008784 951205040 /nfs/dbraw/zinc/20/50/40/951205040.db2.gz GBXGXFWUCDXLBT-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571010382 951214434 /nfs/dbraw/zinc/21/44/34/951214434.db2.gz QAMYUMIFFYWULP-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571010382 951214444 /nfs/dbraw/zinc/21/44/44/951214444.db2.gz QAMYUMIFFYWULP-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM Cc1nn(C)c(N2CCN(C(=O)c3coc(-c4nnn[n-]4)c3)CC2)c1C#N ZINC001571027764 951502932 /nfs/dbraw/zinc/50/29/32/951502932.db2.gz QTGZPGZHYFBHKY-UHFFFAOYSA-N -1 1 367.373 0.336 20 30 FCEDMM Cc1nn(C)c(N2CCN(C(=O)c3coc(-c4nn[n-]n4)c3)CC2)c1C#N ZINC001571027764 951502938 /nfs/dbraw/zinc/50/29/38/951502938.db2.gz QTGZPGZHYFBHKY-UHFFFAOYSA-N -1 1 367.373 0.336 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)n1 ZINC001571032636 951552256 /nfs/dbraw/zinc/55/22/56/951552256.db2.gz AKWNETIITISVSV-YOIRWDDOSA-N -1 1 367.417 0.410 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)n1 ZINC001571032636 951552263 /nfs/dbraw/zinc/55/22/63/951552263.db2.gz AKWNETIITISVSV-YOIRWDDOSA-N -1 1 367.417 0.410 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001571059344 951919978 /nfs/dbraw/zinc/91/99/78/951919978.db2.gz QWDJBZMXCXBRIH-RYUDHWBXSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001571059344 951919982 /nfs/dbraw/zinc/91/99/82/951919982.db2.gz QWDJBZMXCXBRIH-RYUDHWBXSA-N -1 1 369.433 0.806 20 30 FCEDMM CC(C)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1COCC12OCCO2 ZINC001571094079 952269383 /nfs/dbraw/zinc/26/93/83/952269383.db2.gz IIZKYFFATOVCFH-NSHDSACASA-N -1 1 372.389 0.356 20 30 FCEDMM CC(C)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H]1COCC12OCCO2 ZINC001571094079 952269388 /nfs/dbraw/zinc/26/93/88/952269388.db2.gz IIZKYFFATOVCFH-NSHDSACASA-N -1 1 372.389 0.356 20 30 FCEDMM Cn1c(C#N)ccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001605467661 973577390 /nfs/dbraw/zinc/57/73/90/973577390.db2.gz QYQIINLRCVSAQR-GXSJLCMTSA-N -1 1 372.303 0.633 20 30 FCEDMM Cn1c(=O)c(C=NNc2ccccc2C(=O)[O-])c(N2CCCC2)n(C)c1=O ZINC000817323055 978903601 /nfs/dbraw/zinc/90/36/01/978903601.db2.gz 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CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](C)n2cnc(C#N)n2)[n-]1 ZINC000565146909 491355764 /nfs/dbraw/zinc/35/57/64/491355764.db2.gz UYVNABSVQJJQKH-WDEREUQCSA-N -1 1 374.405 0.909 20 30 FCEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](C)n2cnc(C#N)n2)n1 ZINC000565146909 491355767 /nfs/dbraw/zinc/35/57/67/491355767.db2.gz UYVNABSVQJJQKH-WDEREUQCSA-N -1 1 374.405 0.909 20 30 FCEDMM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)N3CCOCC3)n2)c(F)c1 ZINC000542015055 490882228 /nfs/dbraw/zinc/88/22/28/490882228.db2.gz GGRRXZJTMOPWOX-UHFFFAOYSA-N -1 1 351.363 0.872 20 30 FCEDMM Cc1c([C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C(=O)[O-])cnn1C ZINC000530435272 490905944 /nfs/dbraw/zinc/90/59/44/490905944.db2.gz MUOCXHCECNPOLB-LBPRGKRZSA-N -1 1 370.337 0.983 20 30 FCEDMM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589177653 491757024 /nfs/dbraw/zinc/75/70/24/491757024.db2.gz IBRYUJBQOGGARS-CQSZACIVSA-N -1 1 374.441 0.563 20 30 FCEDMM C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)C(=O)OC ZINC000595327585 491919728 /nfs/dbraw/zinc/91/97/28/491919728.db2.gz PXUOPSLCDAKHSR-SNVBAGLBSA-N -1 1 361.372 0.397 20 30 FCEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000614296900 492022973 /nfs/dbraw/zinc/02/29/73/492022973.db2.gz XOJIZISJKURDPR-UHFFFAOYSA-N -1 1 352.350 0.409 20 30 FCEDMM N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cn2)c1 ZINC000609953705 492229224 /nfs/dbraw/zinc/22/92/24/492229224.db2.gz VMJNRZQTCXRDKW-UHFFFAOYSA-N -1 1 364.325 0.514 20 30 FCEDMM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293191404 526977282 /nfs/dbraw/zinc/97/72/82/526977282.db2.gz TXKXAJMEZROSTC-UHFFFAOYSA-N -1 1 361.367 0.318 20 30 FCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC)c2nn[n-]n2)c1 ZINC000267681032 527058904 /nfs/dbraw/zinc/05/89/04/527058904.db2.gz MFLOKFNKKDVGFF-CYBMUJFWSA-N -1 1 362.415 0.382 20 30 FCEDMM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442833479 535772807 /nfs/dbraw/zinc/77/28/07/535772807.db2.gz UTRIHDVDEQWWGT-CYBMUJFWSA-N -1 1 365.411 0.029 20 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599314610 /nfs/dbraw/zinc/31/46/10/599314610.db2.gz GQKBPHIDFPOLFD-SSDOTTSWSA-N -1 1 354.378 0.629 20 30 FCEDMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000822486334 599314757 /nfs/dbraw/zinc/31/47/57/599314757.db2.gz GQKBPHIDFPOLFD-ZETCQYMHSA-N -1 1 354.378 0.629 20 30 FCEDMM C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc2C1=O ZINC000736107111 599778911 /nfs/dbraw/zinc/77/89/11/599778911.db2.gz RUVOFQQHLGXMGM-AWEZNQCLSA-N -1 1 368.349 0.617 20 30 FCEDMM CC(C)Oc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1C#N ZINC000820166621 607406884 /nfs/dbraw/zinc/40/68/84/607406884.db2.gz YHAKSSUMHDXJTF-UHFFFAOYSA-N -1 1 353.346 0.756 20 30 FCEDMM C#CCSCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000823862182 607639177 /nfs/dbraw/zinc/63/91/77/607639177.db2.gz ZURPPAFZKKSJLH-UHFFFAOYSA-N -1 1 368.400 0.420 20 30 FCEDMM Cn1c(N[C@@H](CCC#N)c2ccccc2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826355468 607679064 /nfs/dbraw/zinc/67/90/64/607679064.db2.gz ASOPJFUKQSPRNS-LBPRGKRZSA-N -1 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608839456 /nfs/dbraw/zinc/83/94/56/608839456.db2.gz OYVPXKDRMQVBBT-NSHDSACASA-N -1 1 351.374 0.832 20 30 FCEDMM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000825000369 608839459 /nfs/dbraw/zinc/83/94/59/608839459.db2.gz OYVPXKDRMQVBBT-NSHDSACASA-N -1 1 351.374 0.832 20 30 FCEDMM C=CCN(Cc1ccccc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000823919685 609427261 /nfs/dbraw/zinc/42/72/61/609427261.db2.gz MYXQRXOMFDXCRA-UHFFFAOYSA-N -1 1 353.386 0.457 20 30 FCEDMM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553774574 665870523 /nfs/dbraw/zinc/87/05/23/665870523.db2.gz VGZLDOMPODHZNK-UHFFFAOYSA-N -1 1 369.424 0.717 20 30 FCEDMM O=S1(=O)[N-]/C(=N/CCc2nc(-c3cnccn3)no2)c2ccccc21 ZINC000904650097 665991281 /nfs/dbraw/zinc/99/12/81/665991281.db2.gz RFJITFVWWJXZTH-UHFFFAOYSA-N -1 1 356.367 0.808 20 30 FCEDMM N#Cc1ccccc1CSCCNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726865652 664927437 /nfs/dbraw/zinc/92/74/37/664927437.db2.gz FKLDZQPTYYQLRR-UHFFFAOYSA-N -1 1 358.423 0.848 20 30 FCEDMM 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KJBKRRPFNZAYJX-NOZJJQNGSA-N -1 1 364.373 0.111 20 30 FCEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CCC#N)CC1 ZINC001302597875 1263051004 /nfs/dbraw/zinc/05/10/04/1263051004.db2.gz YMUPVAIWKYUFNI-UHFFFAOYSA-N -1 1 366.425 0.741 20 30 FCEDMM CCn1cc(C(=O)C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)cn1 ZINC001306893290 1263191828 /nfs/dbraw/zinc/19/18/28/1263191828.db2.gz SSYAKHWOBKTZGT-UHFFFAOYSA-N -1 1 370.365 0.990 20 30 FCEDMM N#Cc1cn(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)c(=O)[n-]c1=O ZINC001538556918 1267407912 /nfs/dbraw/zinc/40/79/12/1267407912.db2.gz MBIFWDKZDDOMMN-CQSZACIVSA-N -1 1 371.397 0.757 20 30 FCEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC001339893414 1268360622 /nfs/dbraw/zinc/36/06/22/1268360622.db2.gz UOVNVJZISRROHK-UHFFFAOYSA-N -1 1 371.422 0.885 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573942259 1270949660 /nfs/dbraw/zinc/94/96/60/1270949660.db2.gz NHSQRZKVHIBJKE-KGLIPLIRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)[C@@H](C)NC(=O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001574012104 1270995899 /nfs/dbraw/zinc/99/58/99/1270995899.db2.gz SNJRNWVKTPSDLE-LLVKDONJSA-N -1 1 369.433 0.905 20 30 FCEDMM CC(C)[C@@H](C)NC(=O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001574012104 1270995904 /nfs/dbraw/zinc/99/59/04/1270995904.db2.gz SNJRNWVKTPSDLE-LLVKDONJSA-N -1 1 369.433 0.905 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001580644500 1278622327 /nfs/dbraw/zinc/62/23/27/1278622327.db2.gz KWLIOSYZTRRCEI-WCQYABFASA-N -1 1 369.433 0.942 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001580644500 1278622338 /nfs/dbraw/zinc/62/23/38/1278622338.db2.gz KWLIOSYZTRRCEI-WCQYABFASA-N -1 1 369.433 0.942 20 30 FCEDMM C[C@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811988 1271554994 /nfs/dbraw/zinc/55/49/94/1271554994.db2.gz BMJJGLYLXMOGOI-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811988 1271554995 /nfs/dbraw/zinc/55/49/95/1271554995.db2.gz BMJJGLYLXMOGOI-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575319399 1271921964 /nfs/dbraw/zinc/92/19/64/1271921964.db2.gz LJHNQKDQVYQNIH-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575319399 1271921973 /nfs/dbraw/zinc/92/19/73/1271921973.db2.gz LJHNQKDQVYQNIH-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575320879 1271925249 /nfs/dbraw/zinc/92/52/49/1271925249.db2.gz XHXKGIMIYRXSBG-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575320879 1271925260 /nfs/dbraw/zinc/92/52/60/1271925260.db2.gz XHXKGIMIYRXSBG-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001575727150 1272391154 /nfs/dbraw/zinc/39/11/54/1272391154.db2.gz QAXCPMWPQXXANQ-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001575727150 1272391159 /nfs/dbraw/zinc/39/11/59/1272391159.db2.gz QAXCPMWPQXXANQ-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575837327 1272505221 /nfs/dbraw/zinc/50/52/21/1272505221.db2.gz VFWFGGBNZMLZQK-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041757 1272760961 /nfs/dbraw/zinc/76/09/61/1272760961.db2.gz SKHQOLQNELZBFB-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041757 1272760965 /nfs/dbraw/zinc/76/09/65/1272760965.db2.gz SKHQOLQNELZBFB-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057381 1272793762 /nfs/dbraw/zinc/79/37/62/1272793762.db2.gz JFSWUXZXPGXPND-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057381 1272793769 /nfs/dbraw/zinc/79/37/69/1272793769.db2.gz JFSWUXZXPGXPND-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061278 1272804051 /nfs/dbraw/zinc/80/40/51/1272804051.db2.gz SJCKAMGKAUUNRJ-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061278 1272804058 /nfs/dbraw/zinc/80/40/58/1272804058.db2.gz SJCKAMGKAUUNRJ-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068723 1272826436 /nfs/dbraw/zinc/82/64/36/1272826436.db2.gz KLRHMXBVRVFLBX-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068723 1272826453 /nfs/dbraw/zinc/82/64/53/1272826453.db2.gz KLRHMXBVRVFLBX-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576297604 1273110520 /nfs/dbraw/zinc/11/05/20/1273110520.db2.gz PDBKTJFANDANDT-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576297604 1273110525 /nfs/dbraw/zinc/11/05/25/1273110525.db2.gz PDBKTJFANDANDT-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576296749 1273110998 /nfs/dbraw/zinc/11/09/98/1273110998.db2.gz IPBULWJQDNPQFA-SKDRFNHKSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576296749 1273111002 /nfs/dbraw/zinc/11/10/02/1273111002.db2.gz IPBULWJQDNPQFA-SKDRFNHKSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576311159 1273125664 /nfs/dbraw/zinc/12/56/64/1273125664.db2.gz CLIOULWRFSHINP-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576311159 1273125666 /nfs/dbraw/zinc/12/56/66/1273125666.db2.gz CLIOULWRFSHINP-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C#N)ccn1 ZINC001576364544 1273187160 /nfs/dbraw/zinc/18/71/60/1273187160.db2.gz MDYIHHCTOWQAJS-GFCCVEGCSA-N -1 1 362.401 0.634 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C#N)ccn1 ZINC001576364544 1273187163 /nfs/dbraw/zinc/18/71/63/1273187163.db2.gz MDYIHHCTOWQAJS-GFCCVEGCSA-N -1 1 362.401 0.634 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576863089 1273827689 /nfs/dbraw/zinc/82/76/89/1273827689.db2.gz LPBIMSQTUHIMTB-LLVKDONJSA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576863089 1273827699 /nfs/dbraw/zinc/82/76/99/1273827699.db2.gz LPBIMSQTUHIMTB-LLVKDONJSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580739043 1278838331 /nfs/dbraw/zinc/83/83/31/1278838331.db2.gz GBJCWIGHNFCVMV-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580739043 1278838341 /nfs/dbraw/zinc/83/83/41/1278838341.db2.gz GBJCWIGHNFCVMV-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577123224 1274177770 /nfs/dbraw/zinc/17/77/70/1274177770.db2.gz XUHYJLZUWMUNDW-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577123224 1274177774 /nfs/dbraw/zinc/17/77/74/1274177774.db2.gz XUHYJLZUWMUNDW-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CC[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H](CC)CN1C(C)=O ZINC001577176662 1274226576 /nfs/dbraw/zinc/22/65/76/1274226576.db2.gz GRCYVWYRYSQQCE-RYUDHWBXSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCO[C@@H](CC)C1 ZINC001577176580 1274226629 /nfs/dbraw/zinc/22/66/29/1274226629.db2.gz FFPYOCVOJRBVEN-ONGXEEELSA-N -1 1 359.394 0.289 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577523019 1274469198 /nfs/dbraw/zinc/46/91/98/1274469198.db2.gz KLOYWZMNKBMUMT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM N#Cc1cn(CCC(=O)NC2(Cc3c[nH]nn3)CCCCC2)c(=O)[n-]c1=O ZINC001577717745 1274776822 /nfs/dbraw/zinc/77/68/22/1274776822.db2.gz PIFLOLJCIVIIJH-UHFFFAOYSA-N -1 1 371.401 0.391 20 30 FCEDMM N#Cc1cn(CCC(=O)NC2(Cc3cnn[nH]3)CCCCC2)c(=O)[n-]c1=O ZINC001577717745 1274776828 /nfs/dbraw/zinc/77/68/28/1274776828.db2.gz PIFLOLJCIVIIJH-UHFFFAOYSA-N -1 1 371.401 0.391 20 30 FCEDMM CCN(CC(=O)N1CCCCCC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001577874466 1275067974 /nfs/dbraw/zinc/06/79/74/1275067974.db2.gz VDZNZPVANYRJCE-UHFFFAOYSA-N -1 1 355.406 0.757 20 30 FCEDMM CCN(CC(=O)N1CCCCCC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001577874466 1275067983 /nfs/dbraw/zinc/06/79/83/1275067983.db2.gz VDZNZPVANYRJCE-UHFFFAOYSA-N -1 1 355.406 0.757 20 30 FCEDMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001578125446 1275427031 /nfs/dbraw/zinc/42/70/31/1275427031.db2.gz LRYAAXOPDAREJM-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001578125446 1275427034 /nfs/dbraw/zinc/42/70/34/1275427034.db2.gz LRYAAXOPDAREJM-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001578143563 1275441834 /nfs/dbraw/zinc/44/18/34/1275441834.db2.gz DQAYFOKBVOZZPX-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001578143563 1275441839 /nfs/dbraw/zinc/44/18/39/1275441839.db2.gz DQAYFOKBVOZZPX-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)CSCC#N ZINC001578150406 1275449418 /nfs/dbraw/zinc/44/94/18/1275449418.db2.gz KXNXCVDFBOECAT-UHFFFAOYSA-N -1 1 361.435 0.482 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)CSCC#N ZINC001578150406 1275449421 /nfs/dbraw/zinc/44/94/21/1275449421.db2.gz KXNXCVDFBOECAT-UHFFFAOYSA-N -1 1 361.435 0.482 20 30 FCEDMM CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578208075 1275499161 /nfs/dbraw/zinc/49/91/61/1275499161.db2.gz ICOHGHJQNQVSHH-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578208075 1275499162 /nfs/dbraw/zinc/49/91/62/1275499162.db2.gz ICOHGHJQNQVSHH-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)[C@]1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCOC1 ZINC001578243936 1275546419 /nfs/dbraw/zinc/54/64/19/1275546419.db2.gz FHEJQFDWZBEJMC-HNNXBMFYSA-N -1 1 358.362 0.300 20 30 FCEDMM CCOc1cccc(CN(CCO)c2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001578400058 1275775482 /nfs/dbraw/zinc/77/54/82/1275775482.db2.gz DODBRHHPSCCKBA-UHFFFAOYSA-N -1 1 366.385 0.926 20 30 FCEDMM CCOc1cccc(CN(CCO)c2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001578400058 1275775486 /nfs/dbraw/zinc/77/54/86/1275775486.db2.gz DODBRHHPSCCKBA-UHFFFAOYSA-N -1 1 366.385 0.926 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001578576279 1276009840 /nfs/dbraw/zinc/00/98/40/1276009840.db2.gz AYUVHPLAZUWVJD-ZYHUDNBSSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001578576279 1276009844 /nfs/dbraw/zinc/00/98/44/1276009844.db2.gz AYUVHPLAZUWVJD-ZYHUDNBSSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578582661 1276015175 /nfs/dbraw/zinc/01/51/75/1276015175.db2.gz BAEIDIRDTLZZSG-NWDGAFQWSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578582661 1276015180 /nfs/dbraw/zinc/01/51/80/1276015180.db2.gz BAEIDIRDTLZZSG-NWDGAFQWSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(NC2CC(N(C)C(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578640277 1276088815 /nfs/dbraw/zinc/08/88/15/1276088815.db2.gz QPDMLAZHAJTBQN-KPPDAEKUSA-N -1 1 355.406 0.780 20 30 FCEDMM CCc1nc(NC2CC(N(C)C(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578640277 1276088819 /nfs/dbraw/zinc/08/88/19/1276088819.db2.gz QPDMLAZHAJTBQN-KPPDAEKUSA-N -1 1 355.406 0.780 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578655054 1276106121 /nfs/dbraw/zinc/10/61/21/1276106121.db2.gz FYHVSTXRPOQTLJ-QWRGUYRKSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578655054 1276106122 /nfs/dbraw/zinc/10/61/22/1276106122.db2.gz FYHVSTXRPOQTLJ-QWRGUYRKSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578675416 1276126708 /nfs/dbraw/zinc/12/67/08/1276126708.db2.gz DWXBBAATPYDXPH-MXWKQRLJSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578675416 1276126713 /nfs/dbraw/zinc/12/67/13/1276126713.db2.gz DWXBBAATPYDXPH-MXWKQRLJSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578900737 1276441705 /nfs/dbraw/zinc/44/17/05/1276441705.db2.gz FBXNRIHPXMDGDM-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578900737 1276441714 /nfs/dbraw/zinc/44/17/14/1276441714.db2.gz FBXNRIHPXMDGDM-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578911976 1276451263 /nfs/dbraw/zinc/45/12/63/1276451263.db2.gz RREXPTHOQOYICK-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578911976 1276451265 /nfs/dbraw/zinc/45/12/65/1276451265.db2.gz RREXPTHOQOYICK-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(C#N)ccn1 ZINC001579130041 1276817450 /nfs/dbraw/zinc/81/74/50/1276817450.db2.gz KCNFJHJYHLHSSU-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(C#N)ccn1 ZINC001579130041 1276817458 /nfs/dbraw/zinc/81/74/58/1276817458.db2.gz KCNFJHJYHLHSSU-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CNC(=O)[C@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579386788 1277270008 /nfs/dbraw/zinc/27/00/08/1277270008.db2.gz OWIHSDAPTPBIIP-CYBMUJFWSA-N -1 1 361.369 0.206 20 30 FCEDMM CNC(=O)[C@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579386788 1277270012 /nfs/dbraw/zinc/27/00/12/1277270012.db2.gz OWIHSDAPTPBIIP-CYBMUJFWSA-N -1 1 361.369 0.206 20 30 FCEDMM COC(=O)c1ccc(OC)c(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001579484484 1277395537 /nfs/dbraw/zinc/39/55/37/1277395537.db2.gz GJHMMZLVISREKL-UHFFFAOYSA-N -1 1 354.330 0.361 20 30 FCEDMM COCc1nc(Cl)cc(N(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)n1 ZINC001579840657 1277929540 /nfs/dbraw/zinc/92/95/40/1277929540.db2.gz PGUFJJWAZFHWDS-UHFFFAOYSA-N -1 1 358.753 0.886 20 30 FCEDMM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001579866111 1277943719 /nfs/dbraw/zinc/94/37/19/1277943719.db2.gz ZOUAIFXYMPZMNM-VXGBXAGGSA-N -1 1 370.417 0.026 20 30 FCEDMM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001579866111 1277943726 /nfs/dbraw/zinc/94/37/26/1277943726.db2.gz ZOUAIFXYMPZMNM-VXGBXAGGSA-N -1 1 370.417 0.026 20 30 FCEDMM COc1ccc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1C#N ZINC001580039790 1277997628 /nfs/dbraw/zinc/99/76/28/1277997628.db2.gz ATPACHFZSTWYFA-UHFFFAOYSA-N -1 1 354.334 0.160 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603189539 1287326162 /nfs/dbraw/zinc/32/61/62/1287326162.db2.gz OHOPSZWHSKBULT-STQMWFEESA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603189539 1287326170 /nfs/dbraw/zinc/32/61/70/1287326170.db2.gz OHOPSZWHSKBULT-STQMWFEESA-N -1 1 370.417 0.344 20 30 FCEDMM Cc1nsc(N[C@H](CO)CNC(=O)c2c[nH]c(C#N)c2)c1-c1nn[n-]n1 ZINC001581696774 1280399046 /nfs/dbraw/zinc/39/90/46/1280399046.db2.gz TZMGYEUGQMZXFP-JTQLQIEISA-N -1 1 373.402 0.034 20 30 FCEDMM Cn1cc([C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2(C)C)cn1 ZINC001581767426 1280483723 /nfs/dbraw/zinc/48/37/23/1280483723.db2.gz VTJLGPYXNDQKFL-NSHDSACASA-N -1 1 350.390 0.892 20 30 FCEDMM Cn1cc([C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2(C)C)cn1 ZINC001581767426 1280483731 /nfs/dbraw/zinc/48/37/31/1280483731.db2.gz VTJLGPYXNDQKFL-NSHDSACASA-N -1 1 350.390 0.892 20 30 FCEDMM N#C[C@@]12CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]1CS(=O)(=O)C2 ZINC001581859418 1280610352 /nfs/dbraw/zinc/61/03/52/1280610352.db2.gz GZZBQNDFKYXDFY-KGFZYKRKSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CN2Cc3ccccc3OC2=O)nc1-c1nn[nH]n1 ZINC001581859919 1280611922 /nfs/dbraw/zinc/61/19/22/1280611922.db2.gz CILRWPAHHOTYRL-UHFFFAOYSA-N -1 1 365.313 0.415 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581858707 1280611928 /nfs/dbraw/zinc/61/19/28/1280611928.db2.gz RWYYVDJRUSFQLG-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581858707 1280611930 /nfs/dbraw/zinc/61/19/30/1280611930.db2.gz RWYYVDJRUSFQLG-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H](CCCO)c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860400 1280612434 /nfs/dbraw/zinc/61/24/34/1280612434.db2.gz YQJPSTGEIIIUJP-LLVKDONJSA-N -1 1 352.358 0.956 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccnn2CC(F)(F)F)nc1-c1nn[nH]n1 ZINC001581860723 1280613155 /nfs/dbraw/zinc/61/31/55/1280613155.db2.gz QABGWYGUVDQXIG-UHFFFAOYSA-N -1 1 352.240 0.473 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc3c(cc2Cl)NC(=O)C3)nc1-c1nn[nH]n1 ZINC001581860786 1280614691 /nfs/dbraw/zinc/61/46/91/1280614691.db2.gz SOBRBOFCSOSUHN-UHFFFAOYSA-N -1 1 369.732 0.862 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001581863281 1280615994 /nfs/dbraw/zinc/61/59/94/1280615994.db2.gz GCNWGLDCRGGIRC-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001581863281 1280616001 /nfs/dbraw/zinc/61/60/01/1280616001.db2.gz GCNWGLDCRGGIRC-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864114 1280617057 /nfs/dbraw/zinc/61/70/57/1280617057.db2.gz GZEVWZMWHYMCID-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864114 1280617065 /nfs/dbraw/zinc/61/70/65/1280617065.db2.gz GZEVWZMWHYMCID-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864763 1280617603 /nfs/dbraw/zinc/61/76/03/1280617603.db2.gz MYQQWSOBCPUERB-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864763 1280617607 /nfs/dbraw/zinc/61/76/07/1280617607.db2.gz MYQQWSOBCPUERB-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)[nH]1 ZINC001581867347 1280623288 /nfs/dbraw/zinc/62/32/88/1280623288.db2.gz DSODRNDGSGHZHS-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)[nH]1 ZINC001581867347 1280623298 /nfs/dbraw/zinc/62/32/98/1280623298.db2.gz DSODRNDGSGHZHS-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581868587 1280624231 /nfs/dbraw/zinc/62/42/31/1280624231.db2.gz XWNVMOBWJGEVHE-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581868587 1280624242 /nfs/dbraw/zinc/62/42/42/1280624242.db2.gz XWNVMOBWJGEVHE-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001581871980 1280626936 /nfs/dbraw/zinc/62/69/36/1280626936.db2.gz DKZFSLHALFSFEP-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001581871980 1280626943 /nfs/dbraw/zinc/62/69/43/1280626943.db2.gz DKZFSLHALFSFEP-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(NCC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nc1 ZINC001581872985 1280627637 /nfs/dbraw/zinc/62/76/37/1280627637.db2.gz OSXOMIHXTRWEOX-UHFFFAOYSA-N -1 1 350.346 0.784 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001581874534 1280629751 /nfs/dbraw/zinc/62/97/51/1280629751.db2.gz VRHZSUGGOMYSCJ-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001581874534 1280629762 /nfs/dbraw/zinc/62/97/62/1280629762.db2.gz VRHZSUGGOMYSCJ-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM N#Cc1nc(N2CCC(CC(=O)N3CCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878527 1280634946 /nfs/dbraw/zinc/63/49/46/1280634946.db2.gz PDJFMNSRQJRTNP-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N2CCC(CC(=O)N3CCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878527 1280634953 /nfs/dbraw/zinc/63/49/53/1280634953.db2.gz PDJFMNSRQJRTNP-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N2CC[C@@](O)(c3ccc(F)cc3)C2)cnc1-c1nnn[n-]1 ZINC001581878213 1280635312 /nfs/dbraw/zinc/63/53/12/1280635312.db2.gz BIWLQHWALMSMDU-INIZCTEOSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1nc(N2CC[C@@](O)(c3ccc(F)cc3)C2)cnc1-c1nn[n-]n1 ZINC001581878213 1280635321 /nfs/dbraw/zinc/63/53/21/1280635321.db2.gz BIWLQHWALMSMDU-INIZCTEOSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1nc(NC2CCN(C(=O)c3ccoc3)CC2)cnc1-c1nnn[n-]1 ZINC001581880512 1280637811 /nfs/dbraw/zinc/63/78/11/1280637811.db2.gz MRQJENJMTGWWJX-UHFFFAOYSA-N -1 1 365.357 0.838 20 30 FCEDMM N#Cc1nc(NC2CCN(C(=O)c3ccoc3)CC2)cnc1-c1nn[n-]n1 ZINC001581880512 1280637820 /nfs/dbraw/zinc/63/78/20/1280637820.db2.gz MRQJENJMTGWWJX-UHFFFAOYSA-N -1 1 365.357 0.838 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)cnc1-c1nnn[n-]1 ZINC001581879206 1280638086 /nfs/dbraw/zinc/63/80/86/1280638086.db2.gz AUIWTQISTYMIOS-ZYHUDNBSSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)cnc1-c1nn[n-]n1 ZINC001581879206 1280638091 /nfs/dbraw/zinc/63/80/91/1280638091.db2.gz AUIWTQISTYMIOS-ZYHUDNBSSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCN(Cc3cncs3)CC2)cnc1-c1nnn[n-]1 ZINC001581879373 1280638181 /nfs/dbraw/zinc/63/81/81/1280638181.db2.gz HXYDFSKZYLVGIG-UHFFFAOYSA-N -1 1 354.403 0.307 20 30 FCEDMM N#Cc1nc(N2CCN(Cc3cncs3)CC2)cnc1-c1nn[n-]n1 ZINC001581879373 1280638188 /nfs/dbraw/zinc/63/81/88/1280638188.db2.gz HXYDFSKZYLVGIG-UHFFFAOYSA-N -1 1 354.403 0.307 20 30 FCEDMM N#Cc1nc(N2CCCN(c3nccs3)CC2)cnc1-c1nnn[n-]1 ZINC001581879495 1280638890 /nfs/dbraw/zinc/63/88/90/1280638890.db2.gz NDLKOPISRYWTBY-UHFFFAOYSA-N -1 1 354.403 0.702 20 30 FCEDMM N#Cc1nc(N2CCCN(c3nccs3)CC2)cnc1-c1nn[n-]n1 ZINC001581879495 1280638894 /nfs/dbraw/zinc/63/88/94/1280638894.db2.gz NDLKOPISRYWTBY-UHFFFAOYSA-N -1 1 354.403 0.702 20 30 FCEDMM N#Cc1nc(NC2CCN(CC(F)(F)F)CC2)cnc1-c1nnn[n-]1 ZINC001581880342 1280639318 /nfs/dbraw/zinc/63/93/18/1280639318.db2.gz HJRIVBXFRYXVOC-UHFFFAOYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1nc(NC2CCN(CC(F)(F)F)CC2)cnc1-c1nn[n-]n1 ZINC001581880342 1280639321 /nfs/dbraw/zinc/63/93/21/1280639321.db2.gz HJRIVBXFRYXVOC-UHFFFAOYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2ccc(F)cc2)cnc1-c1nnn[n-]1 ZINC001581880639 1280639942 /nfs/dbraw/zinc/63/99/42/1280639942.db2.gz QRBIYFKOUXZFQH-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2ccc(F)cc2)cnc1-c1nn[n-]n1 ZINC001581880639 1280639947 /nfs/dbraw/zinc/63/99/47/1280639947.db2.gz QRBIYFKOUXZFQH-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(CC(F)(F)F)C2=O)cnc1-c1nnn[n-]1 ZINC001581880672 1280641199 /nfs/dbraw/zinc/64/11/99/1280641199.db2.gz RPESHMBPBVFBEG-ZETCQYMHSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(CC(F)(F)F)C2=O)cnc1-c1nn[n-]n1 ZINC001581880672 1280641204 /nfs/dbraw/zinc/64/12/04/1280641204.db2.gz RPESHMBPBVFBEG-ZETCQYMHSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1ncc(N2CCCN(c3nccs3)CC2)nc1-c1nn[n-]n1 ZINC001581881981 1280641497 /nfs/dbraw/zinc/64/14/97/1280641497.db2.gz HCFMOCFJEFZAON-UHFFFAOYSA-N -1 1 354.403 0.702 20 30 FCEDMM N#Cc1nc(NCCCNC(=O)c2ccccc2F)cnc1-c1nnn[n-]1 ZINC001581880905 1280642343 /nfs/dbraw/zinc/64/23/43/1280642343.db2.gz YXQBIGNIEWYVLN-UHFFFAOYSA-N -1 1 367.348 0.899 20 30 FCEDMM N#Cc1nc(NCCCNC(=O)c2ccccc2F)cnc1-c1nn[n-]n1 ZINC001581880905 1280642350 /nfs/dbraw/zinc/64/23/50/1280642350.db2.gz YXQBIGNIEWYVLN-UHFFFAOYSA-N -1 1 367.348 0.899 20 30 FCEDMM N#Cc1ncc(N2CCC(c3nnc4n3CCC4)CC2)nc1-c1nn[n-]n1 ZINC001581882232 1280643796 /nfs/dbraw/zinc/64/37/96/1280643796.db2.gz QCKMKHZCMQFXGQ-UHFFFAOYSA-N -1 1 363.389 0.450 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603603503 1287437471 /nfs/dbraw/zinc/43/74/71/1287437471.db2.gz PQYTUBGWALYUMM-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603603503 1287437478 /nfs/dbraw/zinc/43/74/78/1287437478.db2.gz PQYTUBGWALYUMM-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(c3ncccc3F)C2)nc1-c1nn[n-]n1 ZINC001581883126 1280647458 /nfs/dbraw/zinc/64/74/58/1280647458.db2.gz OUFPYUVTKNBSQI-SECBINFHSA-N -1 1 352.337 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1282431438 /nfs/dbraw/zinc/43/14/38/1282431438.db2.gz KMHPVFCYKPGSPE-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588338375 1282431478 /nfs/dbraw/zinc/43/14/78/1282431478.db2.gz KMHPVFCYKPGSPE-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588338375 1282431483 /nfs/dbraw/zinc/43/14/83/1282431483.db2.gz KMHPVFCYKPGSPE-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588339212 1282432167 /nfs/dbraw/zinc/43/21/67/1282432167.db2.gz WHKNVMBEUSDIIM-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588339212 1282432171 /nfs/dbraw/zinc/43/21/71/1282432171.db2.gz WHKNVMBEUSDIIM-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588339982 1282434065 /nfs/dbraw/zinc/43/40/65/1282434065.db2.gz BRLCVZUCBZEXQU-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/46/16/20/1282461620.db2.gz YXVZYJDXCURMQA-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588356647 1282461628 /nfs/dbraw/zinc/46/16/28/1282461628.db2.gz YXVZYJDXCURMQA-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001588357368 1282464641 /nfs/dbraw/zinc/46/46/41/1282464641.db2.gz LZFKXKJYISRKKO-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001588357368 1282464643 /nfs/dbraw/zinc/46/46/43/1282464643.db2.gz LZFKXKJYISRKKO-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588357459 1282465009 /nfs/dbraw/zinc/46/50/09/1282465009.db2.gz MENVYLGQFAQLFM-GFCCVEGCSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588357459 1282465012 /nfs/dbraw/zinc/46/50/12/1282465012.db2.gz MENVYLGQFAQLFM-GFCCVEGCSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588358458 1282468199 /nfs/dbraw/zinc/46/81/99/1282468199.db2.gz SLMRFZDSGCVHED-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588358458 1282468205 /nfs/dbraw/zinc/46/82/05/1282468205.db2.gz SLMRFZDSGCVHED-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588358042 1282468628 /nfs/dbraw/zinc/46/86/28/1282468628.db2.gz ORUHKIHGTXEECY-VXGBXAGGSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588358042 1282468631 /nfs/dbraw/zinc/46/86/31/1282468631.db2.gz ORUHKIHGTXEECY-VXGBXAGGSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358086 1282468951 /nfs/dbraw/zinc/46/89/51/1282468951.db2.gz PEKSTFDNRMNIPG-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358086 1282468956 /nfs/dbraw/zinc/46/89/56/1282468956.db2.gz PEKSTFDNRMNIPG-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358724 1282471238 /nfs/dbraw/zinc/47/12/38/1282471238.db2.gz ACSXIILPTBDTOO-NWDGAFQWSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358724 1282471243 /nfs/dbraw/zinc/47/12/43/1282471243.db2.gz ACSXIILPTBDTOO-NWDGAFQWSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588358940 1282473409 /nfs/dbraw/zinc/47/34/09/1282473409.db2.gz DKIIHPNZAURBKQ-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588358940 1282473411 /nfs/dbraw/zinc/47/34/11/1282473411.db2.gz DKIIHPNZAURBKQ-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588359668 1282476218 /nfs/dbraw/zinc/47/62/18/1282476218.db2.gz WFOORYJNEZYKCN-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588359668 1282476223 /nfs/dbraw/zinc/47/62/23/1282476223.db2.gz WFOORYJNEZYKCN-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588361059 1282480347 /nfs/dbraw/zinc/48/03/47/1282480347.db2.gz CPZZCJYNEPJZED-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588361059 1282480350 /nfs/dbraw/zinc/48/03/50/1282480350.db2.gz CPZZCJYNEPJZED-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588361057 1282480411 /nfs/dbraw/zinc/48/04/11/1282480411.db2.gz CPZZCJYNEPJZED-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588361057 1282480416 /nfs/dbraw/zinc/48/04/16/1282480416.db2.gz CPZZCJYNEPJZED-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361819 1282484287 /nfs/dbraw/zinc/48/42/87/1282484287.db2.gz SXUAPUWMVKCWEG-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361819 1282484290 /nfs/dbraw/zinc/48/42/90/1282484290.db2.gz SXUAPUWMVKCWEG-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588361559 1282484762 /nfs/dbraw/zinc/48/47/62/1282484762.db2.gz PGHRZCVTXOZKTR-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588361559 1282484768 /nfs/dbraw/zinc/48/47/68/1282484768.db2.gz PGHRZCVTXOZKTR-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588361851 1282484820 /nfs/dbraw/zinc/48/48/20/1282484820.db2.gz UAPLLGQLHDKWMO-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588361851 1282484825 /nfs/dbraw/zinc/48/48/25/1282484825.db2.gz UAPLLGQLHDKWMO-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOc1ccc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001588362084 1282487249 /nfs/dbraw/zinc/48/72/49/1282487249.db2.gz SXTISXJYXSKVLO-NSHDSACASA-N -1 1 352.358 0.348 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588362696 1282487274 /nfs/dbraw/zinc/48/72/74/1282487274.db2.gz QHELWPPBSXZZCA-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588362177 1282487369 /nfs/dbraw/zinc/48/73/69/1282487369.db2.gz XQRQJENIZHSHSP-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588362177 1282487373 /nfs/dbraw/zinc/48/73/73/1282487373.db2.gz XQRQJENIZHSHSP-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001588364427 1282490660 /nfs/dbraw/zinc/49/06/60/1282490660.db2.gz FCJFTEQZCRAEPF-KBPBESRZSA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001588364427 1282490668 /nfs/dbraw/zinc/49/06/68/1282490668.db2.gz FCJFTEQZCRAEPF-KBPBESRZSA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001588365095 1282492153 /nfs/dbraw/zinc/49/21/53/1282492153.db2.gz RNIZNFPXCBTUHX-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001588365095 1282492160 /nfs/dbraw/zinc/49/21/60/1282492160.db2.gz RNIZNFPXCBTUHX-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001588364762 1282492173 /nfs/dbraw/zinc/49/21/73/1282492173.db2.gz ISEJQTUQSVNIKK-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001588364762 1282492177 /nfs/dbraw/zinc/49/21/77/1282492177.db2.gz ISEJQTUQSVNIKK-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001588380228 1282495604 /nfs/dbraw/zinc/49/56/04/1282495604.db2.gz YHCPBBBCWHJENK-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001588380228 1282495610 /nfs/dbraw/zinc/49/56/10/1282495610.db2.gz YHCPBBBCWHJENK-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001588379641 1282496271 /nfs/dbraw/zinc/49/62/71/1282496271.db2.gz KKJFZSZBSMQLHH-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001588379641 1282496279 /nfs/dbraw/zinc/49/62/79/1282496279.db2.gz KKJFZSZBSMQLHH-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403249 1282499231 /nfs/dbraw/zinc/49/92/31/1282499231.db2.gz XYKSTOWPGINSBW-VXGBXAGGSA-N -1 1 360.422 0.367 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402766 1282499514 /nfs/dbraw/zinc/49/95/14/1282499514.db2.gz MSAHBERAXPOWEG-STQMWFEESA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402765 1282500272 /nfs/dbraw/zinc/50/02/72/1282500272.db2.gz MSAHBERAXPOWEG-QWHCGFSZSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)OCC ZINC001588402740 1282500811 /nfs/dbraw/zinc/50/08/11/1282500811.db2.gz LUBGPJNQNGZDPK-AWEZNQCLSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)OCC ZINC001588402740 1282500820 /nfs/dbraw/zinc/50/08/20/1282500820.db2.gz LUBGPJNQNGZDPK-AWEZNQCLSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588410723 1282502812 /nfs/dbraw/zinc/50/28/12/1282502812.db2.gz UKNKACKKYQLOLB-ZDUSSCGKSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588410723 1282502821 /nfs/dbraw/zinc/50/28/21/1282502821.db2.gz UKNKACKKYQLOLB-ZDUSSCGKSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001588443773 1282507193 /nfs/dbraw/zinc/50/71/93/1282507193.db2.gz YREHCMYOWWJZJV-DYEKYZERSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001588443773 1282507201 /nfs/dbraw/zinc/50/72/01/1282507201.db2.gz YREHCMYOWWJZJV-DYEKYZERSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588443031 1282507326 /nfs/dbraw/zinc/50/73/26/1282507326.db2.gz MBHOHCNDWNWMIB-FNJUNIPDSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588443031 1282507339 /nfs/dbraw/zinc/50/73/39/1282507339.db2.gz MBHOHCNDWNWMIB-FNJUNIPDSA-N -1 1 370.417 0.722 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001588477855 1282515742 /nfs/dbraw/zinc/51/57/42/1282515742.db2.gz IAKCCPUZEIBGRK-ZJUUUORDSA-N -1 1 363.447 0.510 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475491 1282516641 /nfs/dbraw/zinc/51/66/41/1282516641.db2.gz MAPGKSASRWOMKK-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475491 1282516651 /nfs/dbraw/zinc/51/66/51/1282516651.db2.gz MAPGKSASRWOMKK-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588481584 1282520524 /nfs/dbraw/zinc/52/05/24/1282520524.db2.gz MFTRBHRBAHSUCE-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588481584 1282520536 /nfs/dbraw/zinc/52/05/36/1282520536.db2.gz MFTRBHRBAHSUCE-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588495307 1282522879 /nfs/dbraw/zinc/52/28/79/1282522879.db2.gz BMXURRZZCNGWPI-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588495307 1282522885 /nfs/dbraw/zinc/52/28/85/1282522885.db2.gz BMXURRZZCNGWPI-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588493665 1282523502 /nfs/dbraw/zinc/52/35/02/1282523502.db2.gz JVPOTZAEKHCZPR-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588491103 1282524016 /nfs/dbraw/zinc/52/40/16/1282524016.db2.gz CWKNXMYMFAXMOH-MEDUHNTESA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588491103 1282524026 /nfs/dbraw/zinc/52/40/26/1282524026.db2.gz CWKNXMYMFAXMOH-MEDUHNTESA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588492148 1282524445 /nfs/dbraw/zinc/52/44/45/1282524445.db2.gz PAVIEIRNCFHULA-SJKOYZFVSA-N -1 1 372.433 0.320 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588499492 1282527800 /nfs/dbraw/zinc/52/78/00/1282527800.db2.gz IWJSAQOTJHESBK-INIZCTEOSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588499492 1282527808 /nfs/dbraw/zinc/52/78/08/1282527808.db2.gz IWJSAQOTJHESBK-INIZCTEOSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498569 1282527925 /nfs/dbraw/zinc/52/79/25/1282527925.db2.gz BQVNWOUEHYIYNF-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498569 1282527936 /nfs/dbraw/zinc/52/79/36/1282527936.db2.gz BQVNWOUEHYIYNF-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498754 1282528559 /nfs/dbraw/zinc/52/85/59/1282528559.db2.gz CRLNSVNSYXTUTM-DLBZAZTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 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HFABGALAWKENQN-CVEARBPZSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588502529 1282541710 /nfs/dbraw/zinc/54/17/10/1282541710.db2.gz SXSUPTOTSAHBTH-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588502529 1282541720 /nfs/dbraw/zinc/54/17/20/1282541720.db2.gz SXSUPTOTSAHBTH-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588504601 1282543133 /nfs/dbraw/zinc/54/31/33/1282543133.db2.gz LKWMKRLLNBARQL-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588504601 1282543143 /nfs/dbraw/zinc/54/31/43/1282543143.db2.gz LKWMKRLLNBARQL-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588505230 1282546026 /nfs/dbraw/zinc/54/60/26/1282546026.db2.gz NRXHEURNYWTMNT-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588505230 1282546036 /nfs/dbraw/zinc/54/60/36/1282546036.db2.gz NRXHEURNYWTMNT-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588505690 1282547709 /nfs/dbraw/zinc/54/77/09/1282547709.db2.gz VFCCCJFUUSBHTN-QGZVFWFLSA-N -1 1 374.449 0.705 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588505838 1282549315 /nfs/dbraw/zinc/54/93/15/1282549315.db2.gz YHPARKRFCBBYKK-QFYYESIMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588505838 1282549321 /nfs/dbraw/zinc/54/93/21/1282549321.db2.gz YHPARKRFCBBYKK-QFYYESIMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001588507672 1282551117 /nfs/dbraw/zinc/55/11/17/1282551117.db2.gz JTYNIZCFSPLIDH-PBYNLASCSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001588507672 1282551123 /nfs/dbraw/zinc/55/11/23/1282551123.db2.gz JTYNIZCFSPLIDH-PBYNLASCSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588520823 1282556041 /nfs/dbraw/zinc/55/60/41/1282556041.db2.gz FVJHTLZWHHNCHX-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588520823 1282556048 /nfs/dbraw/zinc/55/60/48/1282556048.db2.gz FVJHTLZWHHNCHX-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588525106 1282558137 /nfs/dbraw/zinc/55/81/37/1282558137.db2.gz VKWKBURIBBAZAD-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588525106 1282558145 /nfs/dbraw/zinc/55/81/45/1282558145.db2.gz VKWKBURIBBAZAD-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@H](CC)CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 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C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588607932 1282581890 /nfs/dbraw/zinc/58/18/90/1282581890.db2.gz AKBLTAFGIVAFHJ-MBNYWOFBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608335 1282583767 /nfs/dbraw/zinc/58/37/67/1282583767.db2.gz KAPLHLSLJGQELN-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608335 1282583778 /nfs/dbraw/zinc/58/37/78/1282583778.db2.gz KAPLHLSLJGQELN-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588608395 1282583797 /nfs/dbraw/zinc/58/37/97/1282583797.db2.gz LNAWWIQSLMREPI-VXGBXAGGSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588608395 1282583808 /nfs/dbraw/zinc/58/38/08/1282583808.db2.gz LNAWWIQSLMREPI-VXGBXAGGSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 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C=CCCOCC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588615858 1282593534 /nfs/dbraw/zinc/59/35/34/1282593534.db2.gz KVOATDROZGKFKY-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588615858 1282593547 /nfs/dbraw/zinc/59/35/47/1282593547.db2.gz KVOATDROZGKFKY-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588616280 1282594809 /nfs/dbraw/zinc/59/48/09/1282594809.db2.gz CIQSKNNREBAOHA-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588616280 1282594820 /nfs/dbraw/zinc/59/48/20/1282594820.db2.gz CIQSKNNREBAOHA-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588616262 1282595167 /nfs/dbraw/zinc/59/51/67/1282595167.db2.gz CBPLOXACYUZUGD-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588616262 1282595180 /nfs/dbraw/zinc/59/51/80/1282595180.db2.gz CBPLOXACYUZUGD-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588616463 1282595426 /nfs/dbraw/zinc/59/54/26/1282595426.db2.gz GMLFUZGVQYCZFJ-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588616463 1282595435 /nfs/dbraw/zinc/59/54/35/1282595435.db2.gz GMLFUZGVQYCZFJ-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588616330 1282596792 /nfs/dbraw/zinc/59/67/92/1282596792.db2.gz DEXQRPYIMDIAKR-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588616330 1282596803 /nfs/dbraw/zinc/59/68/03/1282596803.db2.gz DEXQRPYIMDIAKR-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001588616605 1282597629 /nfs/dbraw/zinc/59/76/29/1282597629.db2.gz KEBQVPJHLDKWRU-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588616605 1282597641 /nfs/dbraw/zinc/59/76/41/1282597641.db2.gz KEBQVPJHLDKWRU-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588666229 1282621419 /nfs/dbraw/zinc/62/14/19/1282621419.db2.gz CGAALEWSYBVKBQ-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588666229 1282621430 /nfs/dbraw/zinc/62/14/30/1282621430.db2.gz CGAALEWSYBVKBQ-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588666906 1282623074 /nfs/dbraw/zinc/62/30/74/1282623074.db2.gz ODQHEBATQCCEHF-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588666906 1282623082 /nfs/dbraw/zinc/62/30/82/1282623082.db2.gz ODQHEBATQCCEHF-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 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WQFOUBGTGMWPQM-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001588674519 1282629584 /nfs/dbraw/zinc/62/95/84/1282629584.db2.gz PGTBOYYDLAUFDO-STQMWFEESA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001588674519 1282629597 /nfs/dbraw/zinc/62/95/97/1282629597.db2.gz PGTBOYYDLAUFDO-STQMWFEESA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001588674337 1282630754 /nfs/dbraw/zinc/63/07/54/1282630754.db2.gz MSTAQOKWLSIDDH-UHFFFAOYSA-N -1 1 358.406 0.122 20 30 FCEDMM C=CCOCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588675781 1282636018 /nfs/dbraw/zinc/63/60/18/1282636018.db2.gz JVRFSQLFVBNJCR-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588675781 1282636034 /nfs/dbraw/zinc/63/60/34/1282636034.db2.gz JVRFSQLFVBNJCR-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(CC)CC(=C)C ZINC001588709132 1282658344 /nfs/dbraw/zinc/65/83/44/1282658344.db2.gz PDVBBQUTUVXVQJ-UHFFFAOYSA-N -1 1 355.410 0.686 20 30 FCEDMM C=CCn1ncc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc21 ZINC001588717036 1282660853 /nfs/dbraw/zinc/66/08/53/1282660853.db2.gz PSTANSOTOORBCD-UHFFFAOYSA-N -1 1 350.346 0.633 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588721455 1282668331 /nfs/dbraw/zinc/66/83/31/1282668331.db2.gz HSSAEBCRZMHYND-SCRDCRAPSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588721455 1282668339 /nfs/dbraw/zinc/66/83/39/1282668339.db2.gz HSSAEBCRZMHYND-SCRDCRAPSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588726159 1282676240 /nfs/dbraw/zinc/67/62/40/1282676240.db2.gz VEABNDJDABVNDE-BYNQJWBRSA-N -1 1 370.417 0.615 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588726159 1282676255 /nfs/dbraw/zinc/67/62/55/1282676255.db2.gz VEABNDJDABVNDE-BYNQJWBRSA-N -1 1 370.417 0.615 20 30 FCEDMM CC#CCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588736923 1282680277 /nfs/dbraw/zinc/68/02/77/1282680277.db2.gz GHSIGALJCFJVPK-ZDUSSCGKSA-N -1 1 354.418 0.675 20 30 FCEDMM CC#CCCCC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588740106 1282682104 /nfs/dbraw/zinc/68/21/04/1282682104.db2.gz GMBAYFDARVFGEV-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588740106 1282682118 /nfs/dbraw/zinc/68/21/18/1282682118.db2.gz GMBAYFDARVFGEV-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC(=O)N(c1nc(Cn2cnc(-c3nn[n-]n3)c2C#N)cs1)C1CC1 ZINC001588805077 1282704419 /nfs/dbraw/zinc/70/44/19/1282704419.db2.gz XLNQZZAMXZFHCF-UHFFFAOYSA-N -1 1 355.387 0.955 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588926761 1282730956 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CC(C)C#CC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589384913 1282859369 /nfs/dbraw/zinc/85/93/69/1282859369.db2.gz RTHIRBZCSPWIRM-KRWDZBQOSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589384699 1282860846 /nfs/dbraw/zinc/86/08/46/1282860846.db2.gz NXZBHNYASWBSIO-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589384699 1282860863 /nfs/dbraw/zinc/86/08/63/1282860863.db2.gz NXZBHNYASWBSIO-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589384674 1282861287 /nfs/dbraw/zinc/86/12/87/1282861287.db2.gz NENYGWSDCOFLPN-KGLIPLIRSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385279 1282862490 /nfs/dbraw/zinc/86/24/90/1282862490.db2.gz YPVSWDSIQVSCTH-UONOGXRCSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001589387556 1282863215 /nfs/dbraw/zinc/86/32/15/1282863215.db2.gz MLKWNISIECWRSN-AGUYFDCRSA-N -1 1 366.429 0.932 20 30 FCEDMM CC(C)C#CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001589387556 1282863221 /nfs/dbraw/zinc/86/32/21/1282863221.db2.gz MLKWNISIECWRSN-AGUYFDCRSA-N -1 1 366.429 0.932 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387308 1282863568 /nfs/dbraw/zinc/86/35/68/1282863568.db2.gz KLFBPXARKMKHNV-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387308 1282863580 /nfs/dbraw/zinc/86/35/80/1282863580.db2.gz KLFBPXARKMKHNV-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001589394223 1282871559 /nfs/dbraw/zinc/87/15/59/1282871559.db2.gz YIPGZVPNKHBRMZ-UGSOOPFHSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001589394223 1282871571 /nfs/dbraw/zinc/87/15/71/1282871571.db2.gz YIPGZVPNKHBRMZ-UGSOOPFHSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001589682762 1282946121 /nfs/dbraw/zinc/94/61/21/1282946121.db2.gz ZXKUUBIAKOBXHR-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001589682762 1282946126 /nfs/dbraw/zinc/94/61/26/1282946126.db2.gz ZXKUUBIAKOBXHR-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM C[C@@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813242 1283039730 /nfs/dbraw/zinc/03/97/30/1283039730.db2.gz GHAHPQBQCGQQPK-JTQLQIEISA-N -1 1 366.389 0.289 20 30 FCEDMM C[C@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589813833 1283044153 /nfs/dbraw/zinc/04/41/53/1283044153.db2.gz IDBUJJDUYANAGN-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589813833 1283044160 /nfs/dbraw/zinc/04/41/60/1283044160.db2.gz IDBUJJDUYANAGN-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H]1[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)CCN1c1cncc(C#N)n1 ZINC001590168420 1283261359 /nfs/dbraw/zinc/26/13/59/1283261359.db2.gz STYBUNHSXZHZJQ-QWRGUYRKSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@H]1[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)CCN1c1cncc(C#N)n1 ZINC001590168420 1283261364 /nfs/dbraw/zinc/26/13/64/1283261364.db2.gz STYBUNHSXZHZJQ-QWRGUYRKSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001590172334 1283271685 /nfs/dbraw/zinc/27/16/85/1283271685.db2.gz YFHFMFCESXKJMJ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001590172334 1283271694 /nfs/dbraw/zinc/27/16/94/1283271694.db2.gz YFHFMFCESXKJMJ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590172419 1283272782 /nfs/dbraw/zinc/27/27/82/1283272782.db2.gz ZPQQXFKVKVSUTJ-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590172419 1283272790 /nfs/dbraw/zinc/27/27/90/1283272790.db2.gz ZPQQXFKVKVSUTJ-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CSCC#N ZINC001590208242 1283329966 /nfs/dbraw/zinc/32/99/66/1283329966.db2.gz CZWHMBYJMWYBNO-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CSCC#N ZINC001590208242 1283329978 /nfs/dbraw/zinc/32/99/78/1283329978.db2.gz CZWHMBYJMWYBNO-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210710 1283340678 /nfs/dbraw/zinc/34/06/78/1283340678.db2.gz OMFOJFHIGFQUJX-WCQYABFASA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210710 1283340686 /nfs/dbraw/zinc/34/06/86/1283340686.db2.gz OMFOJFHIGFQUJX-WCQYABFASA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590212406 1283342455 /nfs/dbraw/zinc/34/24/55/1283342455.db2.gz PBHZIRZMEVJLDW-WDEREUQCSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590212406 1283342467 /nfs/dbraw/zinc/34/24/67/1283342467.db2.gz PBHZIRZMEVJLDW-WDEREUQCSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590264753 1283388801 /nfs/dbraw/zinc/38/88/01/1283388801.db2.gz BHKIHGJUKBPWED-TZMCWYRMSA-N -1 1 366.429 0.389 20 30 FCEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001590634656 1283673489 /nfs/dbraw/zinc/67/34/89/1283673489.db2.gz IOAHRHVFZULTGJ-UHFFFAOYSA-N -1 1 351.374 0.769 20 30 FCEDMM CCN(Cc1cccc(F)c1)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001590719952 1283749690 /nfs/dbraw/zinc/74/96/90/1283749690.db2.gz AHTAJBMCYQBNTI-UHFFFAOYSA-N -1 1 369.364 0.705 20 30 FCEDMM CCN(CCOC)c1cccc(Cn2cnc(-c3nn[n-]n3)c2C#N)n1 ZINC001590715662 1283750573 /nfs/dbraw/zinc/75/05/73/1283750573.db2.gz PNYNCWWAOHMZQV-UHFFFAOYSA-N -1 1 353.390 0.851 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001590903712 1283955360 /nfs/dbraw/zinc/95/53/60/1283955360.db2.gz JRKPKEPMXAPEPC-GFCCVEGCSA-N -1 1 356.434 0.819 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H](C)NC(=O)C#CC(C)C)n1 ZINC001590903712 1283955366 /nfs/dbraw/zinc/95/53/66/1283955366.db2.gz JRKPKEPMXAPEPC-GFCCVEGCSA-N -1 1 356.434 0.819 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)CSCC#N)cc(-c2nnn[n-]2)n1 ZINC001590913534 1283962457 /nfs/dbraw/zinc/96/24/57/1283962457.db2.gz FXJIEDFZZKZEOX-VIFPVBQESA-N -1 1 361.435 0.392 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)CSCC#N)cc(-c2nn[n-]n2)n1 ZINC001590913534 1283962469 /nfs/dbraw/zinc/96/24/69/1283962469.db2.gz FXJIEDFZZKZEOX-VIFPVBQESA-N -1 1 361.435 0.392 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591057909 1284118532 /nfs/dbraw/zinc/11/85/32/1284118532.db2.gz KNGPDGLULOTPLJ-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591057909 1284118538 /nfs/dbraw/zinc/11/85/38/1284118538.db2.gz KNGPDGLULOTPLJ-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591057693 1284118902 /nfs/dbraw/zinc/11/89/02/1284118902.db2.gz ILNVXYBKRGBCQQ-ZDUSSCGKSA-N -1 1 368.445 0.991 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591057693 1284118907 /nfs/dbraw/zinc/11/89/07/1284118907.db2.gz ILNVXYBKRGBCQQ-ZDUSSCGKSA-N -1 1 368.445 0.991 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(C#N)c1 ZINC001591090585 1284160684 /nfs/dbraw/zinc/16/06/84/1284160684.db2.gz SXKSJCVCJQYPLE-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(C#N)c1 ZINC001591090585 1284160689 /nfs/dbraw/zinc/16/06/89/1284160689.db2.gz SXKSJCVCJQYPLE-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591159747 1284233827 /nfs/dbraw/zinc/23/38/27/1284233827.db2.gz CXKVGXNWXWTURM-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591159747 1284233834 /nfs/dbraw/zinc/23/38/34/1284233834.db2.gz CXKVGXNWXWTURM-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM COC(=O)C1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC2(CCC2)C1 ZINC001591243107 1284392918 /nfs/dbraw/zinc/39/29/18/1284392918.db2.gz UHUMEAXBVJXRIZ-UHFFFAOYSA-N -1 1 356.346 0.523 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001591749781 1284874981 /nfs/dbraw/zinc/87/49/81/1284874981.db2.gz OXYGZERONVUAQK-CHWSQXEVSA-N -1 1 368.445 0.895 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001591749781 1284874999 /nfs/dbraw/zinc/87/49/99/1284874999.db2.gz OXYGZERONVUAQK-CHWSQXEVSA-N -1 1 368.445 0.895 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(CCCNC(=O)[C@H](C)C#N)C(C)C)n1 ZINC001591884736 1284972061 /nfs/dbraw/zinc/97/20/61/1284972061.db2.gz WFOUCMHXNPPAFV-LLVKDONJSA-N -1 1 357.422 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(CCCNC(=O)[C@H](C)C#N)C(C)C)n1 ZINC001591884736 1284972068 /nfs/dbraw/zinc/97/20/68/1284972068.db2.gz WFOUCMHXNPPAFV-LLVKDONJSA-N -1 1 357.422 0.846 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)C#CC3CC3)C2)n1 ZINC001591886466 1284975000 /nfs/dbraw/zinc/97/50/00/1284975000.db2.gz XWQYVFCBGOSBMB-ZDUSSCGKSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)C#CC3CC3)C2)n1 ZINC001591886466 1284975007 /nfs/dbraw/zinc/97/50/07/1284975007.db2.gz XWQYVFCBGOSBMB-ZDUSSCGKSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001591886648 1284978231 /nfs/dbraw/zinc/97/82/31/1284978231.db2.gz UABGIVLFAOMNGV-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001591886648 1284978236 /nfs/dbraw/zinc/97/82/36/1284978236.db2.gz UABGIVLFAOMNGV-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001591888740 1284980970 /nfs/dbraw/zinc/98/09/70/1284980970.db2.gz IAXCYFCJNHGBID-OCCSQVGLSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001591888740 1284980975 /nfs/dbraw/zinc/98/09/75/1284980975.db2.gz IAXCYFCJNHGBID-OCCSQVGLSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC001591989027 1285043084 /nfs/dbraw/zinc/04/30/84/1285043084.db2.gz MAJLPPFTQYKREO-CYBMUJFWSA-N -1 1 354.342 0.941 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)o1 ZINC001592335981 1285245529 /nfs/dbraw/zinc/24/55/29/1285245529.db2.gz PJGRYIBCUGGMLK-GFCCVEGCSA-N -1 1 372.389 0.131 20 30 FCEDMM Cc1nn(CC(=O)NC2(C#N)CCCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438699 1285369592 /nfs/dbraw/zinc/36/95/92/1285369592.db2.gz MGWNCVPCEOYRBY-UHFFFAOYSA-N -1 1 356.390 0.383 20 30 FCEDMM Cc1nsc(N2CCN(c3cc(C#N)ncn3)CC2)c1-c1nn[n-]n1 ZINC001592476120 1285417714 /nfs/dbraw/zinc/41/77/14/1285417714.db2.gz ZCINILHUBQGLMM-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cn1c(=O)c(C#N)c(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n(C)c1=O ZINC001592555703 1285468305 /nfs/dbraw/zinc/46/83/05/1285468305.db2.gz QMGSSJVZUKJEOW-UHFFFAOYSA-N -1 1 374.311 0.026 20 30 FCEDMM Cn1c(=O)c(C#N)c(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n(C)c1=O ZINC001592555703 1285468314 /nfs/dbraw/zinc/46/83/14/1285468314.db2.gz QMGSSJVZUKJEOW-UHFFFAOYSA-N -1 1 374.311 0.026 20 30 FCEDMM N#CCC[C@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001592675501 1285569623 /nfs/dbraw/zinc/56/96/23/1285569623.db2.gz VRKIQECVWWZTBS-ZDUSSCGKSA-N -1 1 366.389 0.802 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592678996 1285574036 /nfs/dbraw/zinc/57/40/36/1285574036.db2.gz CABSVGBPWACVFR-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592679268 1285576820 /nfs/dbraw/zinc/57/68/20/1285576820.db2.gz KUOOBPWVSSTMEP-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592679268 1285576823 /nfs/dbraw/zinc/57/68/23/1285576823.db2.gz KUOOBPWVSSTMEP-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679301 1285577175 /nfs/dbraw/zinc/57/71/75/1285577175.db2.gz LZIQIAFRTGHSBI-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679301 1285577181 /nfs/dbraw/zinc/57/71/81/1285577181.db2.gz LZIQIAFRTGHSBI-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#C[C@@]12CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001592681737 1285580314 /nfs/dbraw/zinc/58/03/14/1285580314.db2.gz ZODUVVNUJIEMNJ-KGFZYKRKSA-N -1 1 371.835 0.351 20 30 FCEDMM N#C[C@@]12CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]1CS(=O)(=O)C2 ZINC001592681737 1285580317 /nfs/dbraw/zinc/58/03/17/1285580317.db2.gz ZODUVVNUJIEMNJ-KGFZYKRKSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2cn3cc(F)ccc3n2)nc1-c1nn[nH]n1 ZINC001592683162 1285581074 /nfs/dbraw/zinc/58/10/74/1285581074.db2.gz LEWFGTDYMPOOFF-UHFFFAOYSA-N -1 1 352.293 0.429 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(NCC3CC3)nc2)nc1-c1nn[nH]n1 ZINC001592681600 1285581404 /nfs/dbraw/zinc/58/14/04/1285581404.db2.gz GFKDEEKMFOWXDU-UHFFFAOYSA-N -1 1 350.346 0.931 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CN2CCc3ccccc3C2=O)nc1-c1nn[nH]n1 ZINC001592683714 1285581806 /nfs/dbraw/zinc/58/18/06/1285581806.db2.gz XGQVTDJDZZSIHO-UHFFFAOYSA-N -1 1 363.341 0.098 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001592685648 1285584622 /nfs/dbraw/zinc/58/46/22/1285584622.db2.gz BDKRGVRQOOWXTM-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001592685648 1285584627 /nfs/dbraw/zinc/58/46/27/1285584627.db2.gz BDKRGVRQOOWXTM-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001592690842 1285585247 /nfs/dbraw/zinc/58/52/47/1285585247.db2.gz GTDQQRSBXKBKGH-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001592690842 1285585252 /nfs/dbraw/zinc/58/52/52/1285585252.db2.gz GTDQQRSBXKBKGH-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]1 ZINC001592690793 1285586560 /nfs/dbraw/zinc/58/65/60/1285586560.db2.gz BSQODVKEELQVBK-UHFFFAOYSA-N -1 1 354.399 0.742 20 30 FCEDMM N#Cc1ccc(N2CCN(Cn3cccc(-c4nn[n-]n4)c3=O)CC2)cn1 ZINC001592694962 1285587709 /nfs/dbraw/zinc/58/77/09/1285587709.db2.gz BMDZUNMMXMTMDY-UHFFFAOYSA-N -1 1 363.385 0.075 20 30 FCEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592697350 1285588437 /nfs/dbraw/zinc/58/84/37/1285588437.db2.gz GUWUBXLHRMRNQQ-ZDUSSCGKSA-N -1 1 364.373 0.317 20 30 FCEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001592695744 1285589374 /nfs/dbraw/zinc/58/93/74/1285589374.db2.gz IWVSJUPAQYGMIX-ZDUSSCGKSA-N -1 1 362.353 0.822 20 30 FCEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001592695744 1285589379 /nfs/dbraw/zinc/58/93/79/1285589379.db2.gz IWVSJUPAQYGMIX-ZDUSSCGKSA-N -1 1 362.353 0.822 20 30 FCEDMM N#Cc1cccc([C@H]2CN(Cn3cccc(-c4nn[n-]n4)c3=O)CCO2)c1 ZINC001592702526 1285591913 /nfs/dbraw/zinc/59/19/13/1285591913.db2.gz YKFIDRRZLCKZNH-MRXNPFEDSA-N -1 1 363.381 0.931 20 30 FCEDMM N#Cc1nc(NCCNC(=O)c2c(F)cccc2F)cnc1-c1nnn[n-]1 ZINC001592708166 1285593761 /nfs/dbraw/zinc/59/37/61/1285593761.db2.gz XVNPEFIYZFGJAE-UHFFFAOYSA-N -1 1 371.311 0.648 20 30 FCEDMM N#Cc1nc(NCCNC(=O)c2c(F)cccc2F)cnc1-c1nn[n-]n1 ZINC001592708166 1285593767 /nfs/dbraw/zinc/59/37/67/1285593767.db2.gz XVNPEFIYZFGJAE-UHFFFAOYSA-N -1 1 371.311 0.648 20 30 FCEDMM N#Cc1ncn(CC(=O)NCc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC001592710039 1285595705 /nfs/dbraw/zinc/59/57/05/1285595705.db2.gz ULPHOFGBKCOWSQ-UHFFFAOYSA-N -1 1 374.368 0.437 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001592766647 1285689075 /nfs/dbraw/zinc/68/90/75/1285689075.db2.gz PXVHDHMLKOGOQO-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001592766647 1285689079 /nfs/dbraw/zinc/68/90/79/1285689079.db2.gz PXVHDHMLKOGOQO-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592767900 1285691084 /nfs/dbraw/zinc/69/10/84/1285691084.db2.gz PZRKPRJLAPAJRV-HDJSIYSDSA-N -1 1 366.429 0.579 20 30 FCEDMM O=C(C#CC1CC1)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001592768708 1285692718 /nfs/dbraw/zinc/69/27/18/1285692718.db2.gz PAOYVLAYJMGLHT-UHFFFAOYSA-N -1 1 366.429 0.723 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001592768664 1285693427 /nfs/dbraw/zinc/69/34/27/1285693427.db2.gz OIFMPDMHYKCSFN-KBPBESRZSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001592768664 1285693437 /nfs/dbraw/zinc/69/34/37/1285693437.db2.gz OIFMPDMHYKCSFN-KBPBESRZSA-N -1 1 364.413 0.909 20 30 FCEDMM N#CCn1c(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nc2ccccc2c1=O ZINC001601079340 1286629441 /nfs/dbraw/zinc/62/94/41/1286629441.db2.gz WISKTGCPUBFKHJ-ORAYPTAESA-N -1 1 368.393 0.843 20 30 FCEDMM C#CC1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2CC)CC1 ZINC001602696123 1287061083 /nfs/dbraw/zinc/06/10/83/1287061083.db2.gz BFWUMEMTGJMAOP-UHFFFAOYSA-N -1 1 350.390 0.785 20 30 FCEDMM C#CC1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2CC)CC1 ZINC001602696123 1287061094 /nfs/dbraw/zinc/06/10/94/1287061094.db2.gz BFWUMEMTGJMAOP-UHFFFAOYSA-N -1 1 350.390 0.785 20 30 FCEDMM C#CCCCC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602703432 1287064789 /nfs/dbraw/zinc/06/47/89/1287064789.db2.gz QMQCJGGWRXPADS-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602703432 1287064803 /nfs/dbraw/zinc/06/48/03/1287064803.db2.gz QMQCJGGWRXPADS-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001602711019 1287070724 /nfs/dbraw/zinc/07/07/24/1287070724.db2.gz ADWJXIRQFVGIQT-UHFFFAOYSA-N -1 1 361.431 0.127 20 30 FCEDMM C#CCCCS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001602711019 1287070737 /nfs/dbraw/zinc/07/07/37/1287070737.db2.gz ADWJXIRQFVGIQT-UHFFFAOYSA-N -1 1 361.431 0.127 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602714595 1287071478 /nfs/dbraw/zinc/07/14/78/1287071478.db2.gz WIIRKHVEPKEKOV-JSGCOSHPSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602714595 1287071492 /nfs/dbraw/zinc/07/14/92/1287071492.db2.gz WIIRKHVEPKEKOV-JSGCOSHPSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602714594 1287071902 /nfs/dbraw/zinc/07/19/02/1287071902.db2.gz WIIRKHVEPKEKOV-GXTWGEPZSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602714594 1287071908 /nfs/dbraw/zinc/07/19/08/1287071908.db2.gz WIIRKHVEPKEKOV-GXTWGEPZSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602714264 1287072168 /nfs/dbraw/zinc/07/21/68/1287072168.db2.gz NZMHRUUENRJAIL-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602714264 1287072173 /nfs/dbraw/zinc/07/21/73/1287072173.db2.gz NZMHRUUENRJAIL-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC001602712888 1287072221 /nfs/dbraw/zinc/07/22/21/1287072221.db2.gz YYGLOEFZGIRIRY-UHFFFAOYSA-N -1 1 373.442 0.470 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001602724534 1287080719 /nfs/dbraw/zinc/08/07/19/1287080719.db2.gz GNYHKJKULGJIPG-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001602724534 1287080735 /nfs/dbraw/zinc/08/07/35/1287080735.db2.gz GNYHKJKULGJIPG-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602725080 1287083237 /nfs/dbraw/zinc/08/32/37/1287083237.db2.gz IWSRGQYJGRUMBF-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602725080 1287083242 /nfs/dbraw/zinc/08/32/42/1287083242.db2.gz IWSRGQYJGRUMBF-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602725078 1287084952 /nfs/dbraw/zinc/08/49/52/1287084952.db2.gz IWSRGQYJGRUMBF-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602725078 1287084965 /nfs/dbraw/zinc/08/49/65/1287084965.db2.gz IWSRGQYJGRUMBF-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602726347 1287089381 /nfs/dbraw/zinc/08/93/81/1287089381.db2.gz DZRIJRSBTCNGJJ-JHJVBQTASA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602726347 1287089387 /nfs/dbraw/zinc/08/93/87/1287089387.db2.gz DZRIJRSBTCNGJJ-JHJVBQTASA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1CC ZINC001602727046 1287091221 /nfs/dbraw/zinc/09/12/21/1287091221.db2.gz KFJUJFUTCGQQGC-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001602727046 1287091232 /nfs/dbraw/zinc/09/12/32/1287091232.db2.gz KFJUJFUTCGQQGC-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602727535 1287094805 /nfs/dbraw/zinc/09/48/05/1287094805.db2.gz ZDVRZLLOTQERTR-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602727535 1287094815 /nfs/dbraw/zinc/09/48/15/1287094815.db2.gz ZDVRZLLOTQERTR-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001602727494 1287095397 /nfs/dbraw/zinc/09/53/97/1287095397.db2.gz OLPWFZUZJZQGIC-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602727494 1287095403 /nfs/dbraw/zinc/09/54/03/1287095403.db2.gz OLPWFZUZJZQGIC-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602729377 1287095642 /nfs/dbraw/zinc/09/56/42/1287095642.db2.gz PVINDCJOFWXBDQ-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602729377 1287095653 /nfs/dbraw/zinc/09/56/53/1287095653.db2.gz PVINDCJOFWXBDQ-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602729427 1287096019 /nfs/dbraw/zinc/09/60/19/1287096019.db2.gz RFWIFLNGBWFTKQ-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602729427 1287096026 /nfs/dbraw/zinc/09/60/26/1287096026.db2.gz RFWIFLNGBWFTKQ-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1CC ZINC001602729266 1287097850 /nfs/dbraw/zinc/09/78/50/1287097850.db2.gz MHCQIMIQYLAMAM-GXTWGEPZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001602729266 1287097860 /nfs/dbraw/zinc/09/78/60/1287097860.db2.gz MHCQIMIQYLAMAM-GXTWGEPZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001602737241 1287098493 /nfs/dbraw/zinc/09/84/93/1287098493.db2.gz OOZYTCYDVBJRTI-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001602737241 1287098502 /nfs/dbraw/zinc/09/85/02/1287098502.db2.gz OOZYTCYDVBJRTI-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001602735856 1287098728 /nfs/dbraw/zinc/09/87/28/1287098728.db2.gz ULGIVLRKQMHRHW-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001602735856 1287098739 /nfs/dbraw/zinc/09/87/39/1287098739.db2.gz ULGIVLRKQMHRHW-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602742791 1287102672 /nfs/dbraw/zinc/10/26/72/1287102672.db2.gz KTPHMWTWFWVJQB-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602742791 1287102673 /nfs/dbraw/zinc/10/26/73/1287102673.db2.gz KTPHMWTWFWVJQB-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001602742763 1287103360 /nfs/dbraw/zinc/10/33/60/1287103360.db2.gz KCDSDWKFTFZZDA-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602753333 1287104828 /nfs/dbraw/zinc/10/48/28/1287104828.db2.gz OCULLUHEFARSCT-GWCFXTLKSA-N -1 1 357.374 0.298 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602753333 1287104833 /nfs/dbraw/zinc/10/48/33/1287104833.db2.gz OCULLUHEFARSCT-GWCFXTLKSA-N -1 1 357.374 0.298 20 30 FCEDMM C=C(C)CCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602759810 1287107541 /nfs/dbraw/zinc/10/75/41/1287107541.db2.gz QPGPXOKRTBGSHQ-QGZVFWFLSA-N -1 1 372.433 0.461 20 30 FCEDMM C=C(C)Cn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)CC1CC1 ZINC001602764407 1287107632 /nfs/dbraw/zinc/10/76/32/1287107632.db2.gz WYVIOTHEVZGGOZ-UHFFFAOYSA-N -1 1 355.410 0.520 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001602770360 1287108370 /nfs/dbraw/zinc/10/83/70/1287108370.db2.gz XNHFMYVRCRKDLE-MJVIPROJSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001602770360 1287108378 /nfs/dbraw/zinc/10/83/78/1287108378.db2.gz XNHFMYVRCRKDLE-MJVIPROJSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602769847 1287108422 /nfs/dbraw/zinc/10/84/22/1287108422.db2.gz OFYPWKKOZPUSHS-JSGCOSHPSA-N -1 1 372.433 0.499 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602769847 1287108434 /nfs/dbraw/zinc/10/84/34/1287108434.db2.gz OFYPWKKOZPUSHS-JSGCOSHPSA-N -1 1 372.433 0.499 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602769918 1287108834 /nfs/dbraw/zinc/10/88/34/1287108834.db2.gz BJPMEEJOUYOAKA-LBPRGKRZSA-N -1 1 372.433 0.269 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602769918 1287108841 /nfs/dbraw/zinc/10/88/41/1287108841.db2.gz BJPMEEJOUYOAKA-LBPRGKRZSA-N -1 1 372.433 0.269 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001602769589 1287109493 /nfs/dbraw/zinc/10/94/93/1287109493.db2.gz ASKGYVXPFRGNJV-DYEKYZERSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C1CC(C)(C(=O)NCCOCCCNc2nccnc2-c2nnn[n-]2)C1 ZINC001602773095 1287110980 /nfs/dbraw/zinc/11/09/80/1287110980.db2.gz LUUQJOZKELBTHT-UHFFFAOYSA-N -1 1 372.433 0.948 20 30 FCEDMM C=C1CC(C)(C(=O)NCCOCCCNc2nccnc2-c2nn[n-]n2)C1 ZINC001602773095 1287110983 /nfs/dbraw/zinc/11/09/83/1287110983.db2.gz LUUQJOZKELBTHT-UHFFFAOYSA-N -1 1 372.433 0.948 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001602785591 1287114741 /nfs/dbraw/zinc/11/47/41/1287114741.db2.gz ZWEAVWCMRVNYMT-DGCLKSJQSA-N -1 1 372.433 0.315 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001602785591 1287114743 /nfs/dbraw/zinc/11/47/43/1287114743.db2.gz ZWEAVWCMRVNYMT-DGCLKSJQSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001602793685 1287118036 /nfs/dbraw/zinc/11/80/36/1287118036.db2.gz FPAJSMWHGVFUJS-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001602793685 1287118040 /nfs/dbraw/zinc/11/80/40/1287118040.db2.gz FPAJSMWHGVFUJS-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602795945 1287120605 /nfs/dbraw/zinc/12/06/05/1287120605.db2.gz XGSUFEZCCCDPMU-DLBZAZTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602795945 1287120613 /nfs/dbraw/zinc/12/06/13/1287120613.db2.gz XGSUFEZCCCDPMU-DLBZAZTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602795947 1287121135 /nfs/dbraw/zinc/12/11/35/1287121135.db2.gz XGSUFEZCCCDPMU-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602795947 1287121140 /nfs/dbraw/zinc/12/11/40/1287121140.db2.gz XGSUFEZCCCDPMU-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602825442 1287126369 /nfs/dbraw/zinc/12/63/69/1287126369.db2.gz WIGBIWAEXPILEX-RYUDHWBXSA-N -1 1 354.418 0.975 20 30 FCEDMM C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602825442 1287126370 /nfs/dbraw/zinc/12/63/70/1287126370.db2.gz WIGBIWAEXPILEX-RYUDHWBXSA-N -1 1 354.418 0.975 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602841355 1287131243 /nfs/dbraw/zinc/13/12/43/1287131243.db2.gz VHYXLLATRBMHAO-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602841355 1287131250 /nfs/dbraw/zinc/13/12/50/1287131250.db2.gz VHYXLLATRBMHAO-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001602844104 1287131858 /nfs/dbraw/zinc/13/18/58/1287131858.db2.gz IWLWICIELCDVDR-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001602844104 1287131863 /nfs/dbraw/zinc/13/18/63/1287131863.db2.gz IWLWICIELCDVDR-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001602844182 1287132361 /nfs/dbraw/zinc/13/23/61/1287132361.db2.gz LGMYKYBRJUCGJV-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001602844182 1287132363 /nfs/dbraw/zinc/13/23/63/1287132363.db2.gz LGMYKYBRJUCGJV-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602843982 1287133157 /nfs/dbraw/zinc/13/31/57/1287133157.db2.gz DPWJOJRTBUKBBS-UHFFFAOYSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602843982 1287133164 /nfs/dbraw/zinc/13/31/64/1287133164.db2.gz DPWJOJRTBUKBBS-UHFFFAOYSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001602843973 1287133170 /nfs/dbraw/zinc/13/31/70/1287133170.db2.gz DMPVAQRSSGJXBM-ZDUSSCGKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001602843973 1287133175 /nfs/dbraw/zinc/13/31/75/1287133175.db2.gz DMPVAQRSSGJXBM-ZDUSSCGKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602845243 1287133904 /nfs/dbraw/zinc/13/39/04/1287133904.db2.gz YZVKPPRERHSOKV-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602845243 1287133905 /nfs/dbraw/zinc/13/39/05/1287133905.db2.gz YZVKPPRERHSOKV-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602844360 1287134542 /nfs/dbraw/zinc/13/45/42/1287134542.db2.gz OMGQKHUOWMTGNI-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602844360 1287134544 /nfs/dbraw/zinc/13/45/44/1287134544.db2.gz OMGQKHUOWMTGNI-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602844839 1287134676 /nfs/dbraw/zinc/13/46/76/1287134676.db2.gz SARBIOBIFUQNPH-TXEJJXNPSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602844839 1287134681 /nfs/dbraw/zinc/13/46/81/1287134681.db2.gz SARBIOBIFUQNPH-TXEJJXNPSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001602844860 1287135117 /nfs/dbraw/zinc/13/51/17/1287135117.db2.gz SLFOALZPMGIYKG-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001602844860 1287135120 /nfs/dbraw/zinc/13/51/20/1287135120.db2.gz SLFOALZPMGIYKG-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001602866652 1287140471 /nfs/dbraw/zinc/14/04/71/1287140471.db2.gz HMKFWOYBSHAHQX-NWDGAFQWSA-N -1 1 358.406 0.073 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602868002 1287142161 /nfs/dbraw/zinc/14/21/61/1287142161.db2.gz GWSYOGFBWIYFFJ-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602868002 1287142167 /nfs/dbraw/zinc/14/21/67/1287142167.db2.gz GWSYOGFBWIYFFJ-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001602868952 1287143599 /nfs/dbraw/zinc/14/35/99/1287143599.db2.gz ZHIIWYIJAGPRCH-CHWSQXEVSA-N -1 1 370.417 0.429 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001602871360 1287143725 /nfs/dbraw/zinc/14/37/25/1287143725.db2.gz PYGXGVSRWQVPQT-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001602871360 1287143728 /nfs/dbraw/zinc/14/37/28/1287143728.db2.gz PYGXGVSRWQVPQT-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602871255 1287143912 /nfs/dbraw/zinc/14/39/12/1287143912.db2.gz OFMRWRFJYPIVGL-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001602870619 1287143967 /nfs/dbraw/zinc/14/39/67/1287143967.db2.gz KNWNOQNOLBXIBJ-WZRBSPASSA-N -1 1 356.390 0.085 20 30 FCEDMM 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C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001320013178 868058555 /nfs/dbraw/zinc/05/85/55/868058555.db2.gz FFISRYBHHLBMOK-UHFFFAOYSA-N -1 1 355.384 0.853 20 30 FCEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NN1CC(=O)[N-]C1=O ZINC001322981307 869012228 /nfs/dbraw/zinc/01/22/28/869012228.db2.gz MMLUIKQUQXIFGO-SECBINFHSA-N -1 1 361.383 0.602 20 30 FCEDMM C#CCCCCCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573282429 946690171 /nfs/dbraw/zinc/69/01/71/946690171.db2.gz KHFUUQLEAQCIGP-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCCCCCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573282429 946690177 /nfs/dbraw/zinc/69/01/77/946690177.db2.gz KHFUUQLEAQCIGP-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#Cc1ccc(C(=O)NC/C=C/CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573286900 946820250 /nfs/dbraw/zinc/82/02/50/946820250.db2.gz CFAZUCSBMQYZNA-ONEGZZNKSA-N -1 1 360.381 0.458 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573286853 946820426 /nfs/dbraw/zinc/82/04/26/946820426.db2.gz BOWFHADFNNRQKX-CQSZACIVSA-N -1 1 360.381 0.387 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573286797 946820767 /nfs/dbraw/zinc/82/07/67/946820767.db2.gz ITDHJWPOIIFPEW-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573286797 946820777 /nfs/dbraw/zinc/82/07/77/946820777.db2.gz ITDHJWPOIIFPEW-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573287579 946841299 /nfs/dbraw/zinc/84/12/99/946841299.db2.gz NTHZXQGOTVDAIW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573287579 946841310 /nfs/dbraw/zinc/84/13/10/946841310.db2.gz NTHZXQGOTVDAIW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#Cc1ccc(C(=O)NCCCN(C)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573287956 946852543 /nfs/dbraw/zinc/85/25/43/946852543.db2.gz MJAWYQJTRWAHFQ-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1ccc(C(=O)NCCCN(C)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573287956 946852558 /nfs/dbraw/zinc/85/25/58/946852558.db2.gz MJAWYQJTRWAHFQ-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM CC(C)[C@@H](CCN(C)C(=O)[C@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573560505 946953132 /nfs/dbraw/zinc/95/31/32/946953132.db2.gz CVRQIANTNROPAN-VXGBXAGGSA-N -1 1 357.422 0.523 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561206 946959452 /nfs/dbraw/zinc/95/94/52/946959452.db2.gz JDXVPQCUBWLKFE-RQJHMYQMSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561206 946959462 /nfs/dbraw/zinc/95/94/62/946959462.db2.gz JDXVPQCUBWLKFE-RQJHMYQMSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573561109 946960642 /nfs/dbraw/zinc/96/06/42/946960642.db2.gz IPWFZMIHGUEKNJ-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573561109 946960644 /nfs/dbraw/zinc/96/06/44/946960644.db2.gz IPWFZMIHGUEKNJ-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573294712 946997316 /nfs/dbraw/zinc/99/73/16/946997316.db2.gz JIDOKIAXVUHANY-OBJOEFQTSA-N -1 1 372.433 0.897 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573294712 946997322 /nfs/dbraw/zinc/99/73/22/946997322.db2.gz JIDOKIAXVUHANY-OBJOEFQTSA-N -1 1 372.433 0.897 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565680 947013998 /nfs/dbraw/zinc/01/39/98/947013998.db2.gz UJTJDFLGWJJFDB-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565680 947014007 /nfs/dbraw/zinc/01/40/07/947014007.db2.gz UJTJDFLGWJJFDB-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573566963 947035178 /nfs/dbraw/zinc/03/51/78/947035178.db2.gz IKZSKHQDOUVKFT-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573567583 947047806 /nfs/dbraw/zinc/04/78/06/947047806.db2.gz OXQYXJWFJSPHEB-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573567583 947047819 /nfs/dbraw/zinc/04/78/19/947047819.db2.gz OXQYXJWFJSPHEB-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573567582 947048256 /nfs/dbraw/zinc/04/82/56/947048256.db2.gz OXQYXJWFJSPHEB-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573567582 947048270 /nfs/dbraw/zinc/04/82/70/947048270.db2.gz OXQYXJWFJSPHEB-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573567791 947055098 /nfs/dbraw/zinc/05/50/98/947055098.db2.gz SOESBTDUVOWWKA-ZBEGNZNMSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573567791 947055113 /nfs/dbraw/zinc/05/51/13/947055113.db2.gz SOESBTDUVOWWKA-ZBEGNZNMSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573567956 947060472 /nfs/dbraw/zinc/06/04/72/947060472.db2.gz VLMXFFZENNHVTP-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573567956 947060479 /nfs/dbraw/zinc/06/04/79/947060479.db2.gz VLMXFFZENNHVTP-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573570356 947087448 /nfs/dbraw/zinc/08/74/48/947087448.db2.gz NFUYTTLXTOFWBG-WOPDTQHZSA-N -1 1 355.406 0.277 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573570849 947094761 /nfs/dbraw/zinc/09/47/61/947094761.db2.gz VMKBNQFPEOWRCG-NTZNESFSSA-N -1 1 353.390 0.244 20 30 FCEDMM 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ZINC001573572314 947110253 /nfs/dbraw/zinc/11/02/53/947110253.db2.gz GUVRUPSCANMMMU-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573573931 947125719 /nfs/dbraw/zinc/12/57/19/947125719.db2.gz PTRMSNSCQBQPOU-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573573931 947125726 /nfs/dbraw/zinc/12/57/26/947125726.db2.gz PTRMSNSCQBQPOU-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573573922 947126317 /nfs/dbraw/zinc/12/63/17/947126317.db2.gz PRGRVSDBXTUCGY-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573573922 947126322 /nfs/dbraw/zinc/12/63/22/947126322.db2.gz PRGRVSDBXTUCGY-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573576280 947149835 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/nfs/dbraw/zinc/31/91/91/1270319191.db2.gz HELOUVLQWWRSNF-UHFFFAOYSA-N -1 1 368.380 0.256 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573943000 1270949438 /nfs/dbraw/zinc/94/94/38/1270949438.db2.gz SBCCIEVYPKEBLB-ACJLOTCBSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573942869 1270949749 /nfs/dbraw/zinc/94/97/49/1270949749.db2.gz QBWYGIQBFITQPN-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573942869 1270949757 /nfs/dbraw/zinc/94/97/57/1270949757.db2.gz QBWYGIQBFITQPN-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)[C@H](C)NC(=O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001574012620 1270995731 /nfs/dbraw/zinc/99/57/31/1270995731.db2.gz ZDBONKAWVICJAA-NSHDSACASA-N -1 1 369.433 0.905 20 30 FCEDMM CC(C)[C@@H](C)NC(=O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001574012619 1270995783 /nfs/dbraw/zinc/99/57/83/1270995783.db2.gz ZDBONKAWVICJAA-LLVKDONJSA-N -1 1 369.433 0.905 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580639408 1278606974 /nfs/dbraw/zinc/60/69/74/1278606974.db2.gz GZVMEROXKOBTBB-UHFFFAOYSA-N -1 1 366.389 0.373 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580639408 1278606978 /nfs/dbraw/zinc/60/69/78/1278606978.db2.gz GZVMEROXKOBTBB-UHFFFAOYSA-N -1 1 366.389 0.373 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574541667 1271320423 /nfs/dbraw/zinc/32/04/23/1271320423.db2.gz JQKJGJJCPVVVLX-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574541667 1271320430 /nfs/dbraw/zinc/32/04/30/1271320430.db2.gz JQKJGJJCPVVVLX-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574627671 1271425244 /nfs/dbraw/zinc/42/52/44/1271425244.db2.gz QGLVXACOPXJWJW-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574627671 1271425249 /nfs/dbraw/zinc/42/52/49/1271425249.db2.gz QGLVXACOPXJWJW-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574824405 1271571028 /nfs/dbraw/zinc/57/10/28/1271571028.db2.gz SDSVSIPSUPQTPU-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574824405 1271571034 /nfs/dbraw/zinc/57/10/34/1271571034.db2.gz SDSVSIPSUPQTPU-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580656492 1278646838 /nfs/dbraw/zinc/64/68/38/1278646838.db2.gz PUPAWIJCMMWJEM-MFKMUULPSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580656492 1278646864 /nfs/dbraw/zinc/64/68/64/1278646864.db2.gz PUPAWIJCMMWJEM-MFKMUULPSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580656490 1278648870 /nfs/dbraw/zinc/64/88/70/1278648870.db2.gz PUPAWIJCMMWJEM-GWCFXTLKSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580656490 1278648875 /nfs/dbraw/zinc/64/88/75/1278648875.db2.gz PUPAWIJCMMWJEM-GWCFXTLKSA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575320887 1271924175 /nfs/dbraw/zinc/92/41/75/1271924175.db2.gz XJHIUUWSORJKMB-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575320887 1271924182 /nfs/dbraw/zinc/92/41/82/1271924182.db2.gz XJHIUUWSORJKMB-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575329864 1271941495 /nfs/dbraw/zinc/94/14/95/1271941495.db2.gz FSEXYNZNBREHCH-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575329864 1271941504 /nfs/dbraw/zinc/94/15/04/1271941504.db2.gz FSEXYNZNBREHCH-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575331459 1271944941 /nfs/dbraw/zinc/94/49/41/1271944941.db2.gz QBQNWIHSWQZSJU-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575331459 1271944950 /nfs/dbraw/zinc/94/49/50/1271944950.db2.gz QBQNWIHSWQZSJU-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Oc1ccc(Oc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1)C(N)=O ZINC001575494215 1272167924 /nfs/dbraw/zinc/16/79/24/1272167924.db2.gz QEWNHOCXGGJWRC-MRVPVSSYSA-N -1 1 352.314 0.573 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684094 1278709934 /nfs/dbraw/zinc/70/99/34/1278709934.db2.gz BFYAVTYKFLXTGW-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684094 1278709936 /nfs/dbraw/zinc/70/99/36/1278709936.db2.gz BFYAVTYKFLXTGW-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580694987 1278738382 /nfs/dbraw/zinc/73/83/82/1278738382.db2.gz QMRKOMORTLQOGX-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580694987 1278738384 /nfs/dbraw/zinc/73/83/84/1278738384.db2.gz QMRKOMORTLQOGX-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580714257 1278778867 /nfs/dbraw/zinc/77/88/67/1278778867.db2.gz KEYDJPLEKXBWLM-LLVKDONJSA-N -1 1 364.373 0.492 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580714257 1278778876 /nfs/dbraw/zinc/77/88/76/1278778876.db2.gz KEYDJPLEKXBWLM-LLVKDONJSA-N -1 1 364.373 0.492 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580720220 1278798465 /nfs/dbraw/zinc/79/84/65/1278798465.db2.gz QTFGMCCDMXXHDT-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580720220 1278798471 /nfs/dbraw/zinc/79/84/71/1278798471.db2.gz QTFGMCCDMXXHDT-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576868847 1273845018 /nfs/dbraw/zinc/84/50/18/1273845018.db2.gz WVIVPBNVPONJGW-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576868847 1273845023 /nfs/dbraw/zinc/84/50/23/1273845023.db2.gz WVIVPBNVPONJGW-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2(NC(=O)[C@H](C)C#N)CCOCC2)n1 ZINC001580729056 1278818376 /nfs/dbraw/zinc/81/83/76/1278818376.db2.gz GOXMVAPOXIQDFT-SNVBAGLBSA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2(NC(=O)[C@H](C)C#N)CCOCC2)n1 ZINC001580729056 1278818389 /nfs/dbraw/zinc/81/83/89/1278818389.db2.gz GOXMVAPOXIQDFT-SNVBAGLBSA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580735790 1278836023 /nfs/dbraw/zinc/83/60/23/1278836023.db2.gz LULDLHJYRRCHAX-JTQLQIEISA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580735790 1278836028 /nfs/dbraw/zinc/83/60/28/1278836028.db2.gz LULDLHJYRRCHAX-JTQLQIEISA-N -1 1 355.406 0.775 20 30 FCEDMM CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577784378 1274881158 /nfs/dbraw/zinc/88/11/58/1274881158.db2.gz XQRPTFUASWOWJJ-PWSUYJOCSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577784378 1274881169 /nfs/dbraw/zinc/88/11/69/1274881169.db2.gz XQRPTFUASWOWJJ-PWSUYJOCSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(CCNC(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578044860 1275330153 /nfs/dbraw/zinc/33/01/53/1275330153.db2.gz FLPMHEUOFRZPSE-UHFFFAOYSA-N -1 1 359.394 0.879 20 30 FCEDMM CCN(CCNC(=O)OC(C)(C)C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578044860 1275330162 /nfs/dbraw/zinc/33/01/62/1275330162.db2.gz FLPMHEUOFRZPSE-UHFFFAOYSA-N -1 1 359.394 0.879 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001578066825 1275367039 /nfs/dbraw/zinc/36/70/39/1275367039.db2.gz KBYJLDPHJOAOAE-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001578066825 1275367044 /nfs/dbraw/zinc/36/70/44/1275367044.db2.gz KBYJLDPHJOAOAE-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(Cc1c(CO)cnc(C)c1O)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578171318 1275467906 /nfs/dbraw/zinc/46/79/06/1275467906.db2.gz ZZRKMYSABKPVEK-UHFFFAOYSA-N -1 1 367.373 0.456 20 30 FCEDMM CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578190416 1275479206 /nfs/dbraw/zinc/47/92/06/1275479206.db2.gz IZHIXDBQJYZWSQ-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578190416 1275479209 /nfs/dbraw/zinc/47/92/09/1275479209.db2.gz IZHIXDBQJYZWSQ-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)[C@@]1(C(C)C)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001578242882 1275544404 /nfs/dbraw/zinc/54/44/04/1275544404.db2.gz QRVASEQUVNOHKL-INIZCTEOSA-N -1 1 356.390 0.944 20 30 FCEDMM CCOC(=O)[C@@]1(C(C)C)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001578242882 1275544409 /nfs/dbraw/zinc/54/44/09/1275544409.db2.gz QRVASEQUVNOHKL-INIZCTEOSA-N -1 1 356.390 0.944 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001578380612 1275758190 /nfs/dbraw/zinc/75/81/90/1275758190.db2.gz VMFHDXRFLIRMKQ-DMDPSCGWSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001578380612 1275758198 /nfs/dbraw/zinc/75/81/98/1275758198.db2.gz VMFHDXRFLIRMKQ-DMDPSCGWSA-N -1 1 371.405 0.092 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001578578025 1276010982 /nfs/dbraw/zinc/01/09/82/1276010982.db2.gz FOSRQJWSDCAKLF-LLVKDONJSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C)(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001578578025 1276010987 /nfs/dbraw/zinc/01/09/87/1276010987.db2.gz FOSRQJWSDCAKLF-LLVKDONJSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001578578623 1276012516 /nfs/dbraw/zinc/01/25/16/1276012516.db2.gz MLBHPSHBNFIMRM-KKOKHZNYSA-N -1 1 367.417 0.177 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001578578623 1276012522 /nfs/dbraw/zinc/01/25/22/1276012522.db2.gz MLBHPSHBNFIMRM-KKOKHZNYSA-N -1 1 367.417 0.177 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001578599344 1276030936 /nfs/dbraw/zinc/03/09/36/1276030936.db2.gz KYRSKBBIWGMXJF-NOHGZBONSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001578599344 1276030940 /nfs/dbraw/zinc/03/09/40/1276030940.db2.gz KYRSKBBIWGMXJF-NOHGZBONSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578668126 1276120479 /nfs/dbraw/zinc/12/04/79/1276120479.db2.gz GHSCTVUBJHCPCH-QJPTWQEYSA-N -1 1 369.433 0.885 20 30 FCEDMM CCc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578668126 1276120484 /nfs/dbraw/zinc/12/04/84/1276120484.db2.gz GHSCTVUBJHCPCH-QJPTWQEYSA-N -1 1 369.433 0.885 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578675415 1276126580 /nfs/dbraw/zinc/12/65/80/1276126580.db2.gz DWXBBAATPYDXPH-GARJFASQSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578675415 1276126585 /nfs/dbraw/zinc/12/65/85/1276126585.db2.gz DWXBBAATPYDXPH-GARJFASQSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578879094 1276408432 /nfs/dbraw/zinc/40/84/32/1276408432.db2.gz FOMHWQSAMQNHOT-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578879094 1276408438 /nfs/dbraw/zinc/40/84/38/1276408438.db2.gz FOMHWQSAMQNHOT-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578921629 1276465179 /nfs/dbraw/zinc/46/51/79/1276465179.db2.gz VJBAKRCYJJUMHS-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578921629 1276465180 /nfs/dbraw/zinc/46/51/80/1276465180.db2.gz VJBAKRCYJJUMHS-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579063697 1276672978 /nfs/dbraw/zinc/67/29/78/1276672978.db2.gz JHHHFEYSQCQEHA-CYBMUJFWSA-N -1 1 367.373 0.669 20 30 FCEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579063697 1276672985 /nfs/dbraw/zinc/67/29/85/1276672985.db2.gz JHHHFEYSQCQEHA-CYBMUJFWSA-N -1 1 367.373 0.669 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579279306 1277094406 /nfs/dbraw/zinc/09/44/06/1277094406.db2.gz ADMJQXJTFGJRLF-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001579286391 1277107560 /nfs/dbraw/zinc/10/75/60/1277107560.db2.gz HLSNQZWOSWYSNW-MRVPVSSYSA-N -1 1 367.295 0.128 20 30 FCEDMM COC(=O)[C@]12CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C[C@H]1CCCC2 ZINC001579472788 1277378392 /nfs/dbraw/zinc/37/83/92/1277378392.db2.gz JHQPLFRUILTZEC-QLJPJBMISA-N -1 1 354.374 0.698 20 30 FCEDMM COC(=O)[C@]12CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C[C@H]1CCCC2 ZINC001579472783 1277380103 /nfs/dbraw/zinc/38/01/03/1277380103.db2.gz JCANEMUCWCLUEK-QLJPJBMISA-N -1 1 354.374 0.698 20 30 FCEDMM COC(=O)[C@]12CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C[C@H]1CCCC2 ZINC001579472783 1277380111 /nfs/dbraw/zinc/38/01/11/1277380111.db2.gz JCANEMUCWCLUEK-QLJPJBMISA-N -1 1 354.374 0.698 20 30 FCEDMM COc1cc(COCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)ccn1 ZINC001579929653 1277967404 /nfs/dbraw/zinc/96/74/04/1277967404.db2.gz WBAPLARFJCXMPH-UHFFFAOYSA-N -1 1 355.318 0.020 20 30 FCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001603321190 1287356167 /nfs/dbraw/zinc/35/61/67/1287356167.db2.gz XSIBPNDPNJEQIL-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001603476940 1287384727 /nfs/dbraw/zinc/38/47/27/1287384727.db2.gz ITJODRIZCAPJNM-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001603476940 1287384729 /nfs/dbraw/zinc/38/47/29/1287384729.db2.gz ITJODRIZCAPJNM-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM Cc1nsc(NC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC001581706179 1280407819 /nfs/dbraw/zinc/40/78/19/1280407819.db2.gz FYINLAUZYIESNW-CBAPKCEASA-N -1 1 350.408 0.023 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001581856898 1280607816 /nfs/dbraw/zinc/60/78/16/1280607816.db2.gz IFGWISLDFXKZEY-UHFFFAOYSA-N -1 1 354.417 0.527 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001581856898 1280607826 /nfs/dbraw/zinc/60/78/26/1280607826.db2.gz IFGWISLDFXKZEY-UHFFFAOYSA-N -1 1 354.417 0.527 20 30 FCEDMM N#CCCN(CCC#N)C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001581858150 1280609010 /nfs/dbraw/zinc/60/90/10/1280609010.db2.gz SHQKETLLSMVRCB-UHFFFAOYSA-N -1 1 366.385 0.173 20 30 FCEDMM N#CCc1cccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581859781 1280609949 /nfs/dbraw/zinc/60/99/49/1280609949.db2.gz VGIZDNGSEKQGOI-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#CCc1cccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581859781 1280609954 /nfs/dbraw/zinc/60/99/54/1280609954.db2.gz VGIZDNGSEKQGOI-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581858559 1280611865 /nfs/dbraw/zinc/61/18/65/1280611865.db2.gz LZMAROUSINFVRV-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581858559 1280611871 /nfs/dbraw/zinc/61/18/71/1280611871.db2.gz LZMAROUSINFVRV-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001581863409 1280615499 /nfs/dbraw/zinc/61/54/99/1280615499.db2.gz MZHCHLMRSWMTOE-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001581863409 1280615508 /nfs/dbraw/zinc/61/55/08/1280615508.db2.gz MZHCHLMRSWMTOE-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864419 1280615742 /nfs/dbraw/zinc/61/57/42/1280615742.db2.gz UVZRSQSELFKXDO-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864419 1280615745 /nfs/dbraw/zinc/61/57/45/1280615745.db2.gz UVZRSQSELFKXDO-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864028 1280616809 /nfs/dbraw/zinc/61/68/09/1280616809.db2.gz BSEFTIKSUMDKTK-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864028 1280616815 /nfs/dbraw/zinc/61/68/15/1280616815.db2.gz BSEFTIKSUMDKTK-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864506 1280616868 /nfs/dbraw/zinc/61/68/68/1280616868.db2.gz ZDILNWBRWBANRO-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864506 1280616879 /nfs/dbraw/zinc/61/68/79/1280616879.db2.gz ZDILNWBRWBANRO-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)c[nH]1 ZINC001581865357 1280619190 /nfs/dbraw/zinc/61/91/90/1280619190.db2.gz IOYVRBMCYQCNHH-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)c[nH]1 ZINC001581865357 1280619198 /nfs/dbraw/zinc/61/91/98/1280619198.db2.gz IOYVRBMCYQCNHH-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581867856 1280622402 /nfs/dbraw/zinc/62/24/02/1280622402.db2.gz ZDXWZDCWXHPBAV-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581867856 1280622412 /nfs/dbraw/zinc/62/24/12/1280622412.db2.gz ZDXWZDCWXHPBAV-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)[nH]1 ZINC001581867846 1280623535 /nfs/dbraw/zinc/62/35/35/1280623535.db2.gz YSLXNBWGFGQAJI-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)[nH]1 ZINC001581867846 1280623544 /nfs/dbraw/zinc/62/35/44/1280623544.db2.gz YSLXNBWGFGQAJI-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581868586 1280624886 /nfs/dbraw/zinc/62/48/86/1280624886.db2.gz XWNVMOBWJGEVHE-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581868586 1280624890 /nfs/dbraw/zinc/62/48/90/1280624890.db2.gz XWNVMOBWJGEVHE-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001581869485 1280625631 /nfs/dbraw/zinc/62/56/31/1280625631.db2.gz AOQNZNYYBDUKJD-UHFFFAOYSA-N -1 1 355.383 0.654 20 30 FCEDMM N#Cc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001581869485 1280625635 /nfs/dbraw/zinc/62/56/35/1280625635.db2.gz AOQNZNYYBDUKJD-UHFFFAOYSA-N -1 1 355.383 0.654 20 30 FCEDMM N#Cc1ccccc1C(F)(F)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001581875528 1280629325 /nfs/dbraw/zinc/62/93/25/1280629325.db2.gz CDZLAJBKEKOISH-UHFFFAOYSA-N -1 1 359.300 0.238 20 30 FCEDMM N#Cc1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001581878670 1280634454 /nfs/dbraw/zinc/63/44/54/1280634454.db2.gz WXDANYQNOBUCAZ-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1csc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001581878670 1280634458 /nfs/dbraw/zinc/63/44/58/1280634458.db2.gz WXDANYQNOBUCAZ-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](N3CCCC3=O)CC2)cnc1-c1nnn[n-]1 ZINC001581879387 1280637135 /nfs/dbraw/zinc/63/71/35/1280637135.db2.gz INYIFPFAFNMJSU-LLVKDONJSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](N3CCCC3=O)CC2)cnc1-c1nn[n-]n1 ZINC001581879387 1280637140 /nfs/dbraw/zinc/63/71/40/1280637140.db2.gz INYIFPFAFNMJSU-LLVKDONJSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)cnc1-c1nnn[n-]1 ZINC001581879204 1280638582 /nfs/dbraw/zinc/63/85/82/1280638582.db2.gz AUIWTQISTYMIOS-JQWIXIFHSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)cnc1-c1nn[n-]n1 ZINC001581879204 1280638591 /nfs/dbraw/zinc/63/85/91/1280638591.db2.gz AUIWTQISTYMIOS-JQWIXIFHSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1ncc(N2CCC[C@@](C#N)(c3ccccn3)C2)nc1-c1nn[n-]n1 ZINC001581881855 1280642117 /nfs/dbraw/zinc/64/21/17/1280642117.db2.gz CLXXACSHOVJMTO-KRWDZBQOSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCN(CC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581880701 1280642254 /nfs/dbraw/zinc/64/22/54/1280642254.db2.gz SIFGWJTXIKZCTJ-QMMMGPOBSA-N -1 1 353.312 0.824 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCN(CC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581880701 1280642261 /nfs/dbraw/zinc/64/22/61/1280642261.db2.gz SIFGWJTXIKZCTJ-QMMMGPOBSA-N -1 1 353.312 0.824 20 30 FCEDMM N#Cc1ncc(NC[C@@H](O)COc2cccc(F)c2)nc1-c1nn[n-]n1 ZINC001581882561 1280645371 /nfs/dbraw/zinc/64/53/71/1280645371.db2.gz CWFZAQCEUWEWOT-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM O=C(C#CC1CC1)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581912576 1280713992 /nfs/dbraw/zinc/71/39/92/1280713992.db2.gz PVVBFUCXBIYGPA-UHFFFAOYSA-N -1 1 352.402 0.769 20 30 FCEDMM O=C(C#CC1CC1)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581912576 1280713999 /nfs/dbraw/zinc/71/39/99/1280713999.db2.gz PVVBFUCXBIYGPA-UHFFFAOYSA-N -1 1 352.402 0.769 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581912570 1280714033 /nfs/dbraw/zinc/71/40/33/1280714033.db2.gz PSKDAPLDJKTQOB-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581912570 1280714044 /nfs/dbraw/zinc/71/40/44/1280714044.db2.gz PSKDAPLDJKTQOB-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001581912460 1280715199 /nfs/dbraw/zinc/71/51/99/1280715199.db2.gz NCJDQISLVUTQRY-KGLIPLIRSA-N -1 1 364.413 0.355 20 30 FCEDMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687272 1287470937 /nfs/dbraw/zinc/47/09/37/1287470937.db2.gz RPIRSVBIZGNRAN-SMDDNHRTSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687272 1287470939 /nfs/dbraw/zinc/47/09/39/1287470939.db2.gz RPIRSVBIZGNRAN-SMDDNHRTSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@H](c1ccccc1)N(C)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001603734048 1287482068 /nfs/dbraw/zinc/48/20/68/1287482068.db2.gz CGJPWMAGVINJGL-JTQLQIEISA-N -1 1 351.374 0.737 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001603851983 1287519624 /nfs/dbraw/zinc/51/96/24/1287519624.db2.gz IOJZYYPNLBRXAL-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001603851983 1287519625 /nfs/dbraw/zinc/51/96/25/1287519625.db2.gz IOJZYYPNLBRXAL-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2nn[nH]n2)cc1 ZINC001603966225 1287544457 /nfs/dbraw/zinc/54/44/57/1287544457.db2.gz XJDYFGVOTPAJKN-UHFFFAOYSA-N -1 1 350.346 0.838 20 30 FCEDMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001585295415 1282219350 /nfs/dbraw/zinc/21/93/50/1282219350.db2.gz FSRGXLBNFNVKBN-UHFFFAOYSA-N -1 1 356.264 0.301 20 30 FCEDMM N#Cc1cn(CCC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(=O)[n-]c1=O ZINC001586902501 1282320222 /nfs/dbraw/zinc/32/02/22/1282320222.db2.gz XWBJCPRWRFGSDL-UHFFFAOYSA-N -1 1 370.344 0.585 20 30 FCEDMM C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1CC(=C)C ZINC001588326133 1282417788 /nfs/dbraw/zinc/41/77/88/1282417788.db2.gz FJDYMLBFKXRMIB-NSHDSACASA-N -1 1 353.394 0.132 20 30 FCEDMM C#C[C@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001588326533 1282418525 /nfs/dbraw/zinc/41/85/25/1282418525.db2.gz OKUDESHSNOQAOJ-WDEREUQCSA-N -1 1 368.405 0.343 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1)C(C)C ZINC001588328773 1282422087 /nfs/dbraw/zinc/42/20/87/1282422087.db2.gz QCPOWNVDDUICNW-LLVKDONJSA-N -1 1 350.360 0.711 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1)C(C)C ZINC001588328773 1282422094 /nfs/dbraw/zinc/42/20/94/1282422094.db2.gz QCPOWNVDDUICNW-LLVKDONJSA-N -1 1 350.360 0.711 20 30 FCEDMM C#CC1(O)CN(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)C1 ZINC001588333093 1282424848 /nfs/dbraw/zinc/42/48/48/1282424848.db2.gz CWPTXGMBFNORBF-UHFFFAOYSA-N -1 1 364.163 0.236 20 30 FCEDMM C#CC1(O)CN(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)C1 ZINC001588333093 1282424852 /nfs/dbraw/zinc/42/48/52/1282424852.db2.gz CWPTXGMBFNORBF-UHFFFAOYSA-N -1 1 364.163 0.236 20 30 FCEDMM C#CCC1(C(=O)NCCCNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001588334981 1282426929 /nfs/dbraw/zinc/42/69/29/1282426929.db2.gz RTSBNOOYVFUPFE-UHFFFAOYSA-N -1 1 368.445 0.971 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588338136 1282430361 /nfs/dbraw/zinc/43/03/61/1282430361.db2.gz HIVDBRABUCKOHA-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588338559 1282432077 /nfs/dbraw/zinc/43/20/77/1282432077.db2.gz FAYGSFQEOJNQHQ-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588338559 1282432078 /nfs/dbraw/zinc/43/20/78/1282432078.db2.gz FAYGSFQEOJNQHQ-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588339268 1282432754 /nfs/dbraw/zinc/43/27/54/1282432754.db2.gz MMBBZVPKNSRUPF-KRWDZBQOSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588339268 1282432760 /nfs/dbraw/zinc/43/27/60/1282432760.db2.gz MMBBZVPKNSRUPF-KRWDZBQOSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001588339781 1282434970 /nfs/dbraw/zinc/43/49/70/1282434970.db2.gz VSHCFBURDNUCGN-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001588339781 1282434973 /nfs/dbraw/zinc/43/49/73/1282434973.db2.gz VSHCFBURDNUCGN-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588341328 1282435731 /nfs/dbraw/zinc/43/57/31/1282435731.db2.gz DNGNQWUQFVKCTK-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588341328 1282435737 /nfs/dbraw/zinc/43/57/37/1282435737.db2.gz DNGNQWUQFVKCTK-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588342257 1282438244 /nfs/dbraw/zinc/43/82/44/1282438244.db2.gz WNLHKBDSMXTDMF-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588342257 1282438254 /nfs/dbraw/zinc/43/82/54/1282438254.db2.gz WNLHKBDSMXTDMF-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588341509 1282438336 /nfs/dbraw/zinc/43/83/36/1282438336.db2.gz JOYCYASGGYKUBW-KGLIPLIRSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588341508 1282438384 /nfs/dbraw/zinc/43/83/84/1282438384.db2.gz JOYCYASGGYKUBW-KBPBESRZSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588342512 1282438672 /nfs/dbraw/zinc/43/86/72/1282438672.db2.gz AXYJVCAVWZXTFP-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588342512 1282438677 /nfs/dbraw/zinc/43/86/77/1282438677.db2.gz AXYJVCAVWZXTFP-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588343971 1282439641 /nfs/dbraw/zinc/43/96/41/1282439641.db2.gz XRNGGDMNCGRUIP-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588343971 1282439648 /nfs/dbraw/zinc/43/96/48/1282439648.db2.gz XRNGGDMNCGRUIP-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001588343249 1282440307 /nfs/dbraw/zinc/44/03/07/1282440307.db2.gz IZGGIVHNILEACU-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001588343249 1282440314 /nfs/dbraw/zinc/44/03/14/1282440314.db2.gz IZGGIVHNILEACU-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588347919 1282442888 /nfs/dbraw/zinc/44/28/88/1282442888.db2.gz AQCBLDPZCOAGJM-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588347919 1282442892 /nfs/dbraw/zinc/44/28/92/1282442892.db2.gz AQCBLDPZCOAGJM-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCN(C)c1cnc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)cn1 ZINC001588349517 1282444140 /nfs/dbraw/zinc/44/41/40/1282444140.db2.gz QVNQCFASDVUBIR-UHFFFAOYSA-N -1 1 360.341 0.838 20 30 FCEDMM C#CCN(C)c1cnc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)cn1 ZINC001588349517 1282444144 /nfs/dbraw/zinc/44/41/44/1282444144.db2.gz QVNQCFASDVUBIR-UHFFFAOYSA-N -1 1 360.341 0.838 20 30 FCEDMM C#CCN(CC#CC)C(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001588349618 1282444694 /nfs/dbraw/zinc/44/46/94/1282444694.db2.gz IJKZLBJZMKKTPR-UHFFFAOYSA-N -1 1 367.413 0.865 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355327 1282452811 /nfs/dbraw/zinc/45/28/11/1282452811.db2.gz GSODUCIEODKOIZ-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355327 1282452817 /nfs/dbraw/zinc/45/28/17/1282452817.db2.gz GSODUCIEODKOIZ-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588355200 1282453990 /nfs/dbraw/zinc/45/39/90/1282453990.db2.gz GARCTUJLZYJJAT-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588355200 1282453993 /nfs/dbraw/zinc/45/39/93/1282453993.db2.gz GARCTUJLZYJJAT-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355878 1282457452 /nfs/dbraw/zinc/45/74/52/1282457452.db2.gz ORUHKIHGTXEECY-NEPJUHHUSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355878 1282457458 /nfs/dbraw/zinc/45/74/58/1282457458.db2.gz ORUHKIHGTXEECY-NEPJUHHUSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588356465 1282458782 /nfs/dbraw/zinc/45/87/82/1282458782.db2.gz CDAGSVHNBCYGCN-DGCLKSJQSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588356465 1282458787 /nfs/dbraw/zinc/45/87/87/1282458787.db2.gz CDAGSVHNBCYGCN-DGCLKSJQSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356530 1282461186 /nfs/dbraw/zinc/46/11/86/1282461186.db2.gz CZJWYIWLNDXZGN-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356530 1282461193 /nfs/dbraw/zinc/46/11/93/1282461193.db2.gz CZJWYIWLNDXZGN-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001588357511 1282464424 /nfs/dbraw/zinc/46/44/24/1282464424.db2.gz MWPGGWLUTGDGEV-YNEHKIRRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001588357511 1282464430 /nfs/dbraw/zinc/46/44/30/1282464430.db2.gz MWPGGWLUTGDGEV-YNEHKIRRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588357482 1282465723 /nfs/dbraw/zinc/46/57/23/1282465723.db2.gz KFRCZMKREWOZDS-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588357482 1282465731 /nfs/dbraw/zinc/46/57/31/1282465731.db2.gz KFRCZMKREWOZDS-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357571 1282466621 /nfs/dbraw/zinc/46/66/21/1282466621.db2.gz LPKIKQKMBJCICI-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357571 1282466628 /nfs/dbraw/zinc/46/66/28/1282466628.db2.gz LPKIKQKMBJCICI-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C/CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588357999 1282466697 /nfs/dbraw/zinc/46/66/97/1282466697.db2.gz RUYSIKMSTRMRGR-BTDICHCPSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C/CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588357999 1282466705 /nfs/dbraw/zinc/46/67/05/1282466705.db2.gz RUYSIKMSTRMRGR-BTDICHCPSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588357740 1282466756 /nfs/dbraw/zinc/46/67/56/1282466756.db2.gz PWBUTABJPDNAFY-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588357740 1282466760 /nfs/dbraw/zinc/46/67/60/1282466760.db2.gz PWBUTABJPDNAFY-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588359223 1282472361 /nfs/dbraw/zinc/47/23/61/1282472361.db2.gz ZPRGKFJGRIKOET-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588359223 1282472365 /nfs/dbraw/zinc/47/23/65/1282472365.db2.gz ZPRGKFJGRIKOET-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588359073 1282473388 /nfs/dbraw/zinc/47/33/88/1282473388.db2.gz GWDUHQXPAODRRY-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588359073 1282473396 /nfs/dbraw/zinc/47/33/96/1282473396.db2.gz GWDUHQXPAODRRY-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588359487 1282473924 /nfs/dbraw/zinc/47/39/24/1282473924.db2.gz PYYIPGUJRQYJLT-KRWDZBQOSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588359487 1282473934 /nfs/dbraw/zinc/47/39/34/1282473934.db2.gz PYYIPGUJRQYJLT-KRWDZBQOSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588359433 1282474223 /nfs/dbraw/zinc/47/42/23/1282474223.db2.gz OAFBDJPVGPBRIU-CYBMUJFWSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588359433 1282474232 /nfs/dbraw/zinc/47/42/32/1282474232.db2.gz OAFBDJPVGPBRIU-CYBMUJFWSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588359264 1282475319 /nfs/dbraw/zinc/47/53/19/1282475319.db2.gz JJDXLXXVFFYTAG-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588359264 1282475326 /nfs/dbraw/zinc/47/53/26/1282475326.db2.gz JJDXLXXVFFYTAG-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588360101 1282476758 /nfs/dbraw/zinc/47/67/58/1282476758.db2.gz IIDWXYHYLVJLAU-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588360101 1282476762 /nfs/dbraw/zinc/47/67/62/1282476762.db2.gz IIDWXYHYLVJLAU-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588360430 1282477948 /nfs/dbraw/zinc/47/79/48/1282477948.db2.gz PLGUKLSAHCASOB-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588361917 1282485759 /nfs/dbraw/zinc/48/57/59/1282485759.db2.gz UMYHZAFSQLKCRA-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588361917 1282485760 /nfs/dbraw/zinc/48/57/60/1282485760.db2.gz UMYHZAFSQLKCRA-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364491 1282491865 /nfs/dbraw/zinc/49/18/65/1282491865.db2.gz HERPAVOSNWMOIK-VXGBXAGGSA-N -1 1 362.397 0.679 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588380080 1282495684 /nfs/dbraw/zinc/49/56/84/1282495684.db2.gz SIYZXOLWJCQXBP-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588380080 1282495688 /nfs/dbraw/zinc/49/56/88/1282495688.db2.gz SIYZXOLWJCQXBP-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380936 1282497894 /nfs/dbraw/zinc/49/78/94/1282497894.db2.gz PVVWTDQYZFQBHT-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380936 1282497901 /nfs/dbraw/zinc/49/79/01/1282497901.db2.gz PVVWTDQYZFQBHT-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588410122 1282502122 /nfs/dbraw/zinc/50/21/22/1282502122.db2.gz MEGDYJMBSRRBTC-QWHCGFSZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588410814 1282502843 /nfs/dbraw/zinc/50/28/43/1282502843.db2.gz WIYQRZATNRUPAI-GFCCVEGCSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588410814 1282502852 /nfs/dbraw/zinc/50/28/52/1282502852.db2.gz WIYQRZATNRUPAI-GFCCVEGCSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588418301 1282504912 /nfs/dbraw/zinc/50/49/12/1282504912.db2.gz ZELKPIMBBASQJB-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588418301 1282504921 /nfs/dbraw/zinc/50/49/21/1282504921.db2.gz ZELKPIMBBASQJB-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588443106 1282508199 /nfs/dbraw/zinc/50/81/99/1282508199.db2.gz NBSKQYIKIXPLRG-ASHKBJFXSA-N -1 1 370.417 0.697 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588443106 1282508207 /nfs/dbraw/zinc/50/82/07/1282508207.db2.gz NBSKQYIKIXPLRG-ASHKBJFXSA-N -1 1 370.417 0.697 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588443758 1282508975 /nfs/dbraw/zinc/50/89/75/1282508975.db2.gz YGEDQCWESUTHNB-DYEKYZERSA-N -1 1 372.433 0.863 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588443758 1282508986 /nfs/dbraw/zinc/50/89/86/1282508986.db2.gz YGEDQCWESUTHNB-DYEKYZERSA-N -1 1 372.433 0.863 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588443446 1282509096 /nfs/dbraw/zinc/50/90/96/1282509096.db2.gz RCUQYWRKFFQXAK-XUJVJEKNSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588443446 1282509106 /nfs/dbraw/zinc/50/91/06/1282509106.db2.gz RCUQYWRKFFQXAK-XUJVJEKNSA-N -1 1 372.433 0.802 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588468454 1282513094 /nfs/dbraw/zinc/51/30/94/1282513094.db2.gz SXVNWAINUREGIL-GFCCVEGCSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588477721 1282515610 /nfs/dbraw/zinc/51/56/10/1282515610.db2.gz DELZNIJKLMGBFQ-UHFFFAOYSA-N -1 1 371.449 0.107 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001588476559 1282516377 /nfs/dbraw/zinc/51/63/77/1282516377.db2.gz WSGDIRCYGAYXQI-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001588476559 1282516385 /nfs/dbraw/zinc/51/63/85/1282516385.db2.gz WSGDIRCYGAYXQI-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588477908 1282517240 /nfs/dbraw/zinc/51/72/40/1282517240.db2.gz KXDCBUGEUZNCSX-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588477908 1282517246 /nfs/dbraw/zinc/51/72/46/1282517246.db2.gz KXDCBUGEUZNCSX-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588488224 1282518758 /nfs/dbraw/zinc/51/87/58/1282518758.db2.gz GADNQSRKYRLPEW-YVEFUNNKSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588488224 1282518771 /nfs/dbraw/zinc/51/87/71/1282518771.db2.gz GADNQSRKYRLPEW-YVEFUNNKSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588482259 1282519321 /nfs/dbraw/zinc/51/93/21/1282519321.db2.gz TZABDHUVSCQHIT-NEPJUHHUSA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588488621 1282519390 /nfs/dbraw/zinc/51/93/90/1282519390.db2.gz KHFACGUGVNGVOJ-PXAZEXFGSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588488621 1282519404 /nfs/dbraw/zinc/51/94/04/1282519404.db2.gz KHFACGUGVNGVOJ-PXAZEXFGSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588483206 1282520446 /nfs/dbraw/zinc/52/04/46/1282520446.db2.gz BSXXIPWQVMUYCT-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588483206 1282520459 /nfs/dbraw/zinc/52/04/59/1282520459.db2.gz BSXXIPWQVMUYCT-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588490890 1282520830 /nfs/dbraw/zinc/52/08/30/1282520830.db2.gz 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C=C[C@](C)(CCOC)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588495725 1282527154 /nfs/dbraw/zinc/52/71/54/1282527154.db2.gz IPKRBSXRWYFNOO-QGZVFWFLSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588495725 1282527163 /nfs/dbraw/zinc/52/71/63/1282527163.db2.gz IPKRBSXRWYFNOO-QGZVFWFLSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498755 1282529237 /nfs/dbraw/zinc/52/92/37/1282529237.db2.gz CRLNSVNSYXTUTM-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588498755 1282529249 /nfs/dbraw/zinc/52/92/49/1282529249.db2.gz CRLNSVNSYXTUTM-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498567 1282530020 /nfs/dbraw/zinc/53/00/20/1282530020.db2.gz BQVNWOUEHYIYNF-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 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1282619760 /nfs/dbraw/zinc/61/97/60/1282619760.db2.gz CELCYNSTGMHECI-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588667334 1282622642 /nfs/dbraw/zinc/62/26/42/1282622642.db2.gz WOJDFAAAIAESEW-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588667334 1282622657 /nfs/dbraw/zinc/62/26/57/1282622657.db2.gz WOJDFAAAIAESEW-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588671854 1282625683 /nfs/dbraw/zinc/62/56/83/1282625683.db2.gz OIIWNOMEGDAZNN-ZDUSSCGKSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588671854 1282625697 /nfs/dbraw/zinc/62/56/97/1282625697.db2.gz OIIWNOMEGDAZNN-ZDUSSCGKSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588672335 1282627573 /nfs/dbraw/zinc/62/75/73/1282627573.db2.gz ULFOJJPFTDZFFP-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588672335 1282627590 /nfs/dbraw/zinc/62/75/90/1282627590.db2.gz ULFOJJPFTDZFFP-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588672650 1282627616 /nfs/dbraw/zinc/62/76/16/1282627616.db2.gz XTGJHOGGIBAKHE-QWHCGFSZSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588674536 1282630797 /nfs/dbraw/zinc/63/07/97/1282630797.db2.gz PMIVHDFQWQQUSI-NEPJUHHUSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588674536 1282630812 /nfs/dbraw/zinc/63/08/12/1282630812.db2.gz PMIVHDFQWQQUSI-NEPJUHHUSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588674171 1282631467 /nfs/dbraw/zinc/63/14/67/1282631467.db2.gz KDWSDGIKQRXWQR-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588674171 1282631479 /nfs/dbraw/zinc/63/14/79/1282631479.db2.gz KDWSDGIKQRXWQR-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588676649 1282634061 /nfs/dbraw/zinc/63/40/61/1282634061.db2.gz ZFCPDFSXCVQPDI-NEPJUHHUSA-N -1 1 358.406 0.251 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588676649 1282634077 /nfs/dbraw/zinc/63/40/77/1282634077.db2.gz ZFCPDFSXCVQPDI-NEPJUHHUSA-N -1 1 358.406 0.251 20 30 FCEDMM C=CCOCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588675784 1282634346 /nfs/dbraw/zinc/63/43/46/1282634346.db2.gz JVRFSQLFVBNJCR-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588675784 1282634359 /nfs/dbraw/zinc/63/43/59/1282634359.db2.gz JVRFSQLFVBNJCR-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588676178 1282635910 /nfs/dbraw/zinc/63/59/10/1282635910.db2.gz PQZYKPXZSKWTEK-UHFFFAOYSA-N -1 1 370.417 0.502 20 30 FCEDMM C=CCOCC(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588676178 1282635926 /nfs/dbraw/zinc/63/59/26/1282635926.db2.gz PQZYKPXZSKWTEK-UHFFFAOYSA-N -1 1 370.417 0.502 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588681334 1282640466 /nfs/dbraw/zinc/64/04/66/1282640466.db2.gz LQWKNWFLHRNJEL-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588681334 1282640479 /nfs/dbraw/zinc/64/04/79/1282640479.db2.gz LQWKNWFLHRNJEL-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588681402 1282642059 /nfs/dbraw/zinc/64/20/59/1282642059.db2.gz NFCUPIINPLTDOH-CYBMUJFWSA-N -1 1 372.433 0.322 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682939 1282643718 /nfs/dbraw/zinc/64/37/18/1282643718.db2.gz UZFVZNPCIXQFAH-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOc1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001588689974 1282650537 /nfs/dbraw/zinc/65/05/37/1282650537.db2.gz QVRCADSYOSZRRJ-UHFFFAOYSA-N -1 1 369.389 0.522 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCNC(=O)CC1 ZINC001588704130 1282653102 /nfs/dbraw/zinc/65/31/02/1282653102.db2.gz IRTJMMIZTRXRPA-UHFFFAOYSA-N -1 1 355.362 0.231 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCNC(=O)CC1 ZINC001588704130 1282653118 /nfs/dbraw/zinc/65/31/18/1282653118.db2.gz IRTJMMIZTRXRPA-UHFFFAOYSA-N -1 1 355.362 0.231 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CCO[C@H](CC)C1 ZINC001588703678 1282653641 /nfs/dbraw/zinc/65/36/41/1282653641.db2.gz DLIZIYUVBKWBKA-LLVKDONJSA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CCO[C@H](CC)C1 ZINC001588703678 1282653652 /nfs/dbraw/zinc/65/36/52/1282653652.db2.gz DLIZIYUVBKWBKA-LLVKDONJSA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001588709336 1282656022 /nfs/dbraw/zinc/65/60/22/1282656022.db2.gz QWFMOAJGEQVJQU-GFCCVEGCSA-N -1 1 369.437 0.766 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)CC(C)(C)C ZINC001588708985 1282656582 /nfs/dbraw/zinc/65/65/82/1282656582.db2.gz NCBZKLUAZLMDPF-UHFFFAOYSA-N -1 1 357.426 0.766 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCSC[C@@H]1C ZINC001588709774 1282656689 /nfs/dbraw/zinc/65/66/89/1282656689.db2.gz VWKGEEFIRPQPNI-JTQLQIEISA-N -1 1 373.450 0.226 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588718279 1282666111 /nfs/dbraw/zinc/66/61/11/1282666111.db2.gz GDRIFDDILRIWOC-BZPMIXESSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588718279 1282666124 /nfs/dbraw/zinc/66/61/24/1282666124.db2.gz GDRIFDDILRIWOC-BZPMIXESSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588722804 1282666598 /nfs/dbraw/zinc/66/65/98/1282666598.db2.gz CDJCECQEOLSXNM-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588722804 1282666616 /nfs/dbraw/zinc/66/66/16/1282666616.db2.gz CDJCECQEOLSXNM-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588724165 1282673108 /nfs/dbraw/zinc/67/31/08/1282673108.db2.gz WZFHHFDCLAXGTE-UPJWGTAASA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588724165 1282673125 /nfs/dbraw/zinc/67/31/25/1282673125.db2.gz WZFHHFDCLAXGTE-UPJWGTAASA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588725964 1282675624 /nfs/dbraw/zinc/67/56/24/1282675624.db2.gz PNALBASGORPQRY-NDBYEHHHSA-N -1 1 370.417 0.331 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588725964 1282675635 /nfs/dbraw/zinc/67/56/35/1282675635.db2.gz PNALBASGORPQRY-NDBYEHHHSA-N -1 1 370.417 0.331 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001588738848 1282677579 /nfs/dbraw/zinc/67/75/79/1282677579.db2.gz SSVRJAQBKNYTRJ-GFCCVEGCSA-N -1 1 358.406 0.082 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001588738848 1282677595 /nfs/dbraw/zinc/67/75/95/1282677595.db2.gz SSVRJAQBKNYTRJ-GFCCVEGCSA-N -1 1 358.406 0.082 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588737368 1282678252 /nfs/dbraw/zinc/67/82/52/1282678252.db2.gz LFJFGFSZXRJMPB-ZIAGYGMSSA-N -1 1 368.445 0.921 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588737360 1282678441 /nfs/dbraw/zinc/67/84/41/1282678441.db2.gz LFJFGFSZXRJMPB-KBPBESRZSA-N -1 1 368.445 0.921 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588744169 1282685532 /nfs/dbraw/zinc/68/55/32/1282685532.db2.gz SUIHJPZKOSJHAI-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588744169 1282685539 /nfs/dbraw/zinc/68/55/39/1282685539.db2.gz SUIHJPZKOSJHAI-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C[C@@H](C#N)C(=O)N(C)CCCCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588924593 1282727568 /nfs/dbraw/zinc/72/75/68/1282727568.db2.gz XMNXHVMTHFWZJK-LBPRGKRZSA-N -1 1 357.422 0.669 20 30 FCEDMM C[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588935969 1282732090 /nfs/dbraw/zinc/73/20/90/1282732090.db2.gz BVGTZLJRXOUWRW-KOLCDFICSA-N -1 1 351.330 0.367 20 30 FCEDMM C[C@H](C(=O)NC(C)(C)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588965803 1282746649 /nfs/dbraw/zinc/74/66/49/1282746649.db2.gz LRBBJXPRXHMZDC-SNVBAGLBSA-N -1 1 351.374 0.942 20 30 FCEDMM C[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970740 1282747738 /nfs/dbraw/zinc/74/77/38/1282747738.db2.gz OKEBJYKBZGBBEE-DIFFPNOSSA-N -1 1 363.385 0.587 20 30 FCEDMM C[C@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028690 1282777391 /nfs/dbraw/zinc/77/73/91/1282777391.db2.gz XVQQCSYRAAQWQG-SECBINFHSA-N -1 1 367.329 0.073 20 30 FCEDMM CC(C)C#CC(=O)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001589379960 1282855518 /nfs/dbraw/zinc/85/55/18/1282855518.db2.gz HHKTTYUQVKERQM-UHFFFAOYSA-N -1 1 356.434 0.989 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589384642 1282860129 /nfs/dbraw/zinc/86/01/29/1282860129.db2.gz MBPGKBXAKYOOFX-AWEZNQCLSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589384642 1282860139 /nfs/dbraw/zinc/86/01/39/1282860139.db2.gz MBPGKBXAKYOOFX-AWEZNQCLSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589386863 1282863188 /nfs/dbraw/zinc/86/31/88/1282863188.db2.gz CTQAAVLJIAATGQ-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589386863 1282863195 /nfs/dbraw/zinc/86/31/95/1282863195.db2.gz CTQAAVLJIAATGQ-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387309 1282863484 /nfs/dbraw/zinc/86/34/84/1282863484.db2.gz KLFBPXARKMKHNV-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387309 1282863491 /nfs/dbraw/zinc/86/34/91/1282863491.db2.gz KLFBPXARKMKHNV-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001589386713 1282863596 /nfs/dbraw/zinc/86/35/96/1282863596.db2.gz BGUFIGMWQWKYEM-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001589386713 1282863604 /nfs/dbraw/zinc/86/36/04/1282863604.db2.gz BGUFIGMWQWKYEM-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001589387042 1282864898 /nfs/dbraw/zinc/86/48/98/1282864898.db2.gz GJUNHOKRMYKOHJ-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001589387042 1282864907 /nfs/dbraw/zinc/86/49/07/1282864907.db2.gz GJUNHOKRMYKOHJ-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589389731 1282866071 /nfs/dbraw/zinc/86/60/71/1282866071.db2.gz KWMLPCPGILJAII-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589389731 1282866083 /nfs/dbraw/zinc/86/60/83/1282866083.db2.gz KWMLPCPGILJAII-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387838 1282868132 /nfs/dbraw/zinc/86/81/32/1282868132.db2.gz QENGEKXJYNDBFK-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387838 1282868146 /nfs/dbraw/zinc/86/81/46/1282868146.db2.gz QENGEKXJYNDBFK-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589397223 1282871166 /nfs/dbraw/zinc/87/11/66/1282871166.db2.gz HELLLCDDNAINDT-SNVBAGLBSA-N -1 1 357.378 0.437 20 30 FCEDMM C[C@H](CCCNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589813243 1283041280 /nfs/dbraw/zinc/04/12/80/1283041280.db2.gz GHAHPQBQCGQQPK-SNVBAGLBSA-N -1 1 366.389 0.289 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001589817969 1283053927 /nfs/dbraw/zinc/05/39/27/1283053927.db2.gz KFCJCZWRAYQLND-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001589817969 1283053938 /nfs/dbraw/zinc/05/39/38/1283053938.db2.gz KFCJCZWRAYQLND-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CNC(=O)CC#Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589853915 1283088590 /nfs/dbraw/zinc/08/85/90/1283088590.db2.gz HRVHPROKPJYIGQ-CYBMUJFWSA-N -1 1 362.397 0.437 20 30 FCEDMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CSCC#N)C1CC1 ZINC001589878379 1283105072 /nfs/dbraw/zinc/10/50/72/1283105072.db2.gz FPDAFDOIIBYFME-HNNXBMFYSA-N -1 1 373.446 0.610 20 30 FCEDMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CSCC#N)C1CC1 ZINC001589878379 1283105077 /nfs/dbraw/zinc/10/50/77/1283105077.db2.gz FPDAFDOIIBYFME-HNNXBMFYSA-N -1 1 373.446 0.610 20 30 FCEDMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589906212 1283117446 /nfs/dbraw/zinc/11/74/46/1283117446.db2.gz PCOAUQAXKKQSOK-SNVBAGLBSA-N -1 1 374.368 0.739 20 30 FCEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590008681 1283172859 /nfs/dbraw/zinc/17/28/59/1283172859.db2.gz NTFQMTWYVPJLSB-APPDUMDISA-N -1 1 371.401 0.790 20 30 FCEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590008681 1283172863 /nfs/dbraw/zinc/17/28/63/1283172863.db2.gz NTFQMTWYVPJLSB-APPDUMDISA-N -1 1 371.401 0.790 20 30 FCEDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)n1 ZINC001590054635 1283188512 /nfs/dbraw/zinc/18/85/12/1283188512.db2.gz MMXNHTCZVNUCOV-INIZCTEOSA-N -1 1 371.405 0.519 20 30 FCEDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@@](C)(C#N)C2)n1 ZINC001590054635 1283188515 /nfs/dbraw/zinc/18/85/15/1283188515.db2.gz MMXNHTCZVNUCOV-INIZCTEOSA-N -1 1 371.405 0.519 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590143028 1283240584 /nfs/dbraw/zinc/24/05/84/1283240584.db2.gz LOAMSARWCWEVIU-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590172416 1283271985 /nfs/dbraw/zinc/27/19/85/1283271985.db2.gz ZPQQXFKVKVSUTJ-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590172416 1283271997 /nfs/dbraw/zinc/27/19/97/1283271997.db2.gz ZPQQXFKVKVSUTJ-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001590172333 1283272740 /nfs/dbraw/zinc/27/27/40/1283272740.db2.gz YFHFMFCESXKJMJ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001590172333 1283272745 /nfs/dbraw/zinc/27/27/45/1283272745.db2.gz YFHFMFCESXKJMJ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590266318 1283390284 /nfs/dbraw/zinc/39/02/84/1283390284.db2.gz QCQPPDBTCQUTCY-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590266318 1283390287 /nfs/dbraw/zinc/39/02/87/1283390287.db2.gz QCQPPDBTCQUTCY-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590284699 1283412936 /nfs/dbraw/zinc/41/29/36/1283412936.db2.gz STNQISDLKUGVDR-RYUDHWBXSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590284699 1283412943 /nfs/dbraw/zinc/41/29/43/1283412943.db2.gz STNQISDLKUGVDR-RYUDHWBXSA-N -1 1 354.418 0.965 20 30 FCEDMM CCN(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590691327 1283732156 /nfs/dbraw/zinc/73/21/56/1283732156.db2.gz WABQWGJVYSGJTM-UHFFFAOYSA-N -1 1 359.394 0.519 20 30 FCEDMM CCN(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590691327 1283732161 /nfs/dbraw/zinc/73/21/61/1283732161.db2.gz WABQWGJVYSGJTM-UHFFFAOYSA-N -1 1 359.394 0.519 20 30 FCEDMM CCc1nc(NC2(CNC(=O)CSCC#N)CC2)cc(-c2nnn[n-]2)n1 ZINC001590915895 1283964939 /nfs/dbraw/zinc/96/49/39/1283964939.db2.gz VXTCEOKDJLYFIU-UHFFFAOYSA-N -1 1 373.446 0.537 20 30 FCEDMM CCc1nc(NC2(CNC(=O)CSCC#N)CC2)cc(-c2nn[n-]n2)n1 ZINC001590915895 1283964945 /nfs/dbraw/zinc/96/49/45/1283964945.db2.gz VXTCEOKDJLYFIU-UHFFFAOYSA-N -1 1 373.446 0.537 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)CSCC#N)cc(-c2nnn[n-]2)n1 ZINC001590918509 1283965354 /nfs/dbraw/zinc/96/53/54/1283965354.db2.gz AZZYZDNQQGRABH-UHFFFAOYSA-N -1 1 361.435 0.346 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)CSCC#N)cc(-c2nn[n-]n2)n1 ZINC001590918509 1283965363 /nfs/dbraw/zinc/96/53/63/1283965363.db2.gz AZZYZDNQQGRABH-UHFFFAOYSA-N -1 1 361.435 0.346 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590918868 1283968951 /nfs/dbraw/zinc/96/89/51/1283968951.db2.gz JKLLICHMFLFIAM-ZDUSSCGKSA-N -1 1 366.429 0.893 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590918868 1283968961 /nfs/dbraw/zinc/96/89/61/1283968961.db2.gz JKLLICHMFLFIAM-ZDUSSCGKSA-N -1 1 366.429 0.893 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590972381 1284034369 /nfs/dbraw/zinc/03/43/69/1284034369.db2.gz SOFWBQBGZDSVEY-UHFFFAOYSA-N -1 1 354.418 0.529 20 30 FCEDMM CN(C(=O)CSCC#N)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001590984257 1284040635 /nfs/dbraw/zinc/04/06/35/1284040635.db2.gz IJONPPWORCZZAP-GFCCVEGCSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C(=O)CSCC#N)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001590984257 1284040644 /nfs/dbraw/zinc/04/06/44/1284040644.db2.gz IJONPPWORCZZAP-GFCCVEGCSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)CSCC#N)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056306 1284115954 /nfs/dbraw/zinc/11/59/54/1284115954.db2.gz NSVWLBHKXWGMIA-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)CSCC#N)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056306 1284115957 /nfs/dbraw/zinc/11/59/57/1284115957.db2.gz NSVWLBHKXWGMIA-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(CCCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C#CC(C)(C)C ZINC001591068814 1284127667 /nfs/dbraw/zinc/12/76/67/1284127667.db2.gz UUBGYFCMCOJKCP-UHFFFAOYSA-N -1 1 356.434 0.991 20 30 FCEDMM CN(CCCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001591084974 1284154577 /nfs/dbraw/zinc/15/45/77/1284154577.db2.gz ROFRCGLMJOYTPV-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001591084974 1284154581 /nfs/dbraw/zinc/15/45/81/1284154581.db2.gz ROFRCGLMJOYTPV-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCOCCNc1ccc(-c2nnn[n-]2)nn1)C(=O)C#CC(C)(C)C ZINC001591112440 1284185820 /nfs/dbraw/zinc/18/58/20/1284185820.db2.gz LJXDPUJDGGHAIK-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM CN(CCOCCNc1ccc(-c2nn[n-]n2)nn1)C(=O)C#CC(C)(C)C ZINC001591112440 1284185825 /nfs/dbraw/zinc/18/58/25/1284185825.db2.gz LJXDPUJDGGHAIK-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM CCn1ncc2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c(C)nc21 ZINC001604622551 1287696467 /nfs/dbraw/zinc/69/64/67/1287696467.db2.gz OTPLHKJQBJUWAL-UHFFFAOYSA-N -1 1 363.345 0.787 20 30 FCEDMM COCCOC1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001591432289 1284578005 /nfs/dbraw/zinc/57/80/05/1284578005.db2.gz CAVMEPZGFFMRDX-UHFFFAOYSA-N -1 1 360.378 0.622 20 30 FCEDMM COc1cccc2c(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cnn21 ZINC001591643405 1284777624 /nfs/dbraw/zinc/77/76/24/1284777624.db2.gz DCRJNXVIXSKZNG-UHFFFAOYSA-N -1 1 350.302 0.370 20 30 FCEDMM COc1ccn2c(c1)ncc2C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591654863 1284783419 /nfs/dbraw/zinc/78/34/19/1284783419.db2.gz AIHJSWWJHFENOI-UHFFFAOYSA-N -1 1 350.302 0.370 20 30 FCEDMM CN(CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C(=O)c1cccs1 ZINC001604712270 1287748810 /nfs/dbraw/zinc/74/88/10/1287748810.db2.gz OYEVMPONJHXXPV-UHFFFAOYSA-N -1 1 357.359 0.234 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001591883282 1284972622 /nfs/dbraw/zinc/97/26/22/1284972622.db2.gz HQQFZQYSEDPTCE-AWEZNQCLSA-N -1 1 368.445 0.909 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001591883282 1284972625 /nfs/dbraw/zinc/97/26/25/1284972625.db2.gz HQQFZQYSEDPTCE-AWEZNQCLSA-N -1 1 368.445 0.909 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001591889316 1284981203 /nfs/dbraw/zinc/98/12/03/1284981203.db2.gz QIEMUJVJZAARDA-LEWSCRJBSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001591889316 1284981206 /nfs/dbraw/zinc/98/12/06/1284981206.db2.gz QIEMUJVJZAARDA-LEWSCRJBSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C#CC3CC3)[C@@H]2C)n1 ZINC001591888739 1284981540 /nfs/dbraw/zinc/98/15/40/1284981540.db2.gz 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Cc1nc(CN2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)cs1 ZINC001592361047 1285276967 /nfs/dbraw/zinc/27/69/67/1285276967.db2.gz BTMJMQGSPCZYIJ-UHFFFAOYSA-N -1 1 368.430 0.616 20 30 FCEDMM Cc1nsc(N(C)CCN(C)C(=O)CSCC#N)c1-c1nn[n-]n1 ZINC001592471591 1285412509 /nfs/dbraw/zinc/41/25/09/1285412509.db2.gz XJXOIDRHFNFNRE-UHFFFAOYSA-N -1 1 366.476 0.783 20 30 FCEDMM Cn1cc([C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cn1 ZINC001592568846 1285483797 /nfs/dbraw/zinc/48/37/97/1285483797.db2.gz AXQFBNFGWLOLFD-CMPLNLGQSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1cc([C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cn1 ZINC001592568846 1285483803 /nfs/dbraw/zinc/48/38/03/1285483803.db2.gz AXQFBNFGWLOLFD-CMPLNLGQSA-N -1 1 352.362 0.594 20 30 FCEDMM N#C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CCN1C1CC1 ZINC001592671303 1285566628 /nfs/dbraw/zinc/56/66/28/1285566628.db2.gz CNDBNHPCNPJBHQ-JTQLQIEISA-N -1 1 365.444 0.289 20 30 FCEDMM N#CCC1(O)CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001592673566 1285569741 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C[C@@H](C#N)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565349 947006737 /nfs/dbraw/zinc/00/67/37/947006737.db2.gz QIIRNWFCXNGLTN-NSHDSACASA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573566535 947026831 /nfs/dbraw/zinc/02/68/31/947026831.db2.gz CYYSACHJSBROLX-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573566512 947027755 /nfs/dbraw/zinc/02/77/55/947027755.db2.gz CPHJTBKGQHQWJS-BDJLRTHQSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573566512 947027765 /nfs/dbraw/zinc/02/77/65/947027765.db2.gz CPHJTBKGQHQWJS-BDJLRTHQSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573566961 947035337 /nfs/dbraw/zinc/03/53/37/947035337.db2.gz IKZSKHQDOUVKFT-SJKOYZFVSA-N -1 1 367.417 0.635 20 30 FCEDMM 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FCEDMM N#Cc1ccccc1N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000486208973 490598431 /nfs/dbraw/zinc/59/84/31/490598431.db2.gz ZKKVPUAOIZCKJB-UHFFFAOYSA-N -1 1 365.393 0.737 20 30 FCEDMM N#CCc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000525692808 490622078 /nfs/dbraw/zinc/62/20/78/490622078.db2.gz WIWAGUUHELMDQI-UHFFFAOYSA-N -1 1 362.367 0.362 20 30 FCEDMM Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C(=O)[O-] ZINC000536992629 490632470 /nfs/dbraw/zinc/63/24/70/490632470.db2.gz PNUTXNNKWWYSRW-UHFFFAOYSA-N -1 1 351.300 0.699 20 30 FCEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1CCN(CC#N)CC1 ZINC000514834302 490791875 /nfs/dbraw/zinc/79/18/75/490791875.db2.gz DVELLRFKMHGHKX-UHFFFAOYSA-N -1 1 356.430 0.946 20 30 FCEDMM CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000566309759 491434381 /nfs/dbraw/zinc/43/43/81/491434381.db2.gz ZNNPGICKGFBSOB-UHFFFAOYSA-N -1 1 361.445 0.982 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])c(F)c1 ZINC000560418382 491539057 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N#Cc1[n-]c(NC(=O)CCNC(=O)C2CCCCC2)nc1-c1nn[nH]n1 ZINC000737703724 598285446 /nfs/dbraw/zinc/28/54/46/598285446.db2.gz AZTIGRMBTVFFRC-UHFFFAOYSA-N -1 1 357.378 0.487 20 30 FCEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H](C#N)C1 ZINC000737549487 598362130 /nfs/dbraw/zinc/36/21/30/598362130.db2.gz VYCAUNUYQHHRKS-NSHDSACASA-N -1 1 353.342 0.923 20 30 FCEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H](C#N)C1 ZINC000737549487 598362131 /nfs/dbraw/zinc/36/21/31/598362131.db2.gz VYCAUNUYQHHRKS-NSHDSACASA-N -1 1 353.342 0.923 20 30 FCEDMM C#CCOc1cccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000735388295 598425704 /nfs/dbraw/zinc/42/57/04/598425704.db2.gz WWYLYWLWCBYRDX-UHFFFAOYSA-N -1 1 354.326 0.068 20 30 FCEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(=O)o1 ZINC000736227001 599460259 /nfs/dbraw/zinc/46/02/59/599460259.db2.gz BAAFLSJXQQSDSP-NHZBNJEXSA-N -1 1 364.321 0.743 20 30 FCEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000827363007 601121991 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FCEDMM C=C(Cl)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000823882738 608352822 /nfs/dbraw/zinc/35/28/22/608352822.db2.gz CQUOVLJKVREFQX-UHFFFAOYSA-N -1 1 352.786 0.625 20 30 FCEDMM C=C(C)COCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823878297 609309484 /nfs/dbraw/zinc/30/94/84/609309484.db2.gz VDBRMFOWUMZPQM-UHFFFAOYSA-N -1 1 363.426 0.339 20 30 FCEDMM C=C(C)COCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823878297 609309486 /nfs/dbraw/zinc/30/94/86/609309486.db2.gz VDBRMFOWUMZPQM-UHFFFAOYSA-N -1 1 363.426 0.339 20 30 FCEDMM C[C@H](C#N)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000824034897 609411883 /nfs/dbraw/zinc/41/18/83/609411883.db2.gz QLHRTTYFGPRGDP-GHMZBOCLSA-N -1 1 356.394 0.036 20 30 FCEDMM C[C@H](C#N)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000824034897 609411886 /nfs/dbraw/zinc/41/18/86/609411886.db2.gz QLHRTTYFGPRGDP-GHMZBOCLSA-N -1 1 356.394 0.036 20 30 FCEDMM N#Cc1ncn(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826388397 609493153 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/nfs/dbraw/zinc/94/87/97/1270948797.db2.gz OGOMLCTXZNMSAA-KBPBESRZSA-N -1 1 368.445 0.825 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001573942997 1270949411 /nfs/dbraw/zinc/94/94/11/1270949411.db2.gz SAXNNVXIWFINND-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001573942997 1270949414 /nfs/dbraw/zinc/94/94/14/1270949414.db2.gz SAXNNVXIWFINND-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573943227 1270949647 /nfs/dbraw/zinc/94/96/47/1270949647.db2.gz VBRVHYWUTUHPPC-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573943227 1270949650 /nfs/dbraw/zinc/94/96/50/1270949650.db2.gz VBRVHYWUTUHPPC-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573941986 1270949732 /nfs/dbraw/zinc/94/97/32/1270949732.db2.gz KKMBQYNQHCZREO-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573941986 1270949736 /nfs/dbraw/zinc/94/97/36/1270949736.db2.gz KKMBQYNQHCZREO-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574540125 1271318340 /nfs/dbraw/zinc/31/83/40/1271318340.db2.gz DQDATGSWJUTDMY-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574540125 1271318344 /nfs/dbraw/zinc/31/83/44/1271318344.db2.gz DQDATGSWJUTDMY-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580651083 1278630814 /nfs/dbraw/zinc/63/08/14/1278630814.db2.gz WSFJUJPOTWLTKE-BXKDBHETSA-N -1 1 355.406 0.456 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580651083 1278630827 /nfs/dbraw/zinc/63/08/27/1278630827.db2.gz WSFJUJPOTWLTKE-BXKDBHETSA-N -1 1 355.406 0.456 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574627171 1271423866 /nfs/dbraw/zinc/42/38/66/1271423866.db2.gz KPLZDNNNQVFAPO-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574627171 1271423871 /nfs/dbraw/zinc/42/38/71/1271423871.db2.gz KPLZDNNNQVFAPO-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)c(C#N)n1)NC(=O)OC(C)(C)C ZINC001574808764 1271548969 /nfs/dbraw/zinc/54/89/69/1271548969.db2.gz GREHNXISKUHRLN-SECBINFHSA-N -1 1 359.394 0.878 20 30 FCEDMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)c(C#N)n1)NC(=O)OC(C)(C)C ZINC001574808764 1271548971 /nfs/dbraw/zinc/54/89/71/1271548971.db2.gz GREHNXISKUHRLN-SECBINFHSA-N -1 1 359.394 0.878 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)n1 ZINC001580663958 1278665145 /nfs/dbraw/zinc/66/51/45/1278665145.db2.gz SPRLFWGHAJTXKY-RTXFEEFZSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)n1 ZINC001580663958 1278665155 /nfs/dbraw/zinc/66/51/55/1278665155.db2.gz SPRLFWGHAJTXKY-RTXFEEFZSA-N -1 1 367.417 0.695 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575315434 1271916328 /nfs/dbraw/zinc/91/63/28/1271916328.db2.gz UPGDGHLGVYGOAK-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575315434 1271916332 /nfs/dbraw/zinc/91/63/32/1271916332.db2.gz UPGDGHLGVYGOAK-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CCCNC(=O)[C@H](C)C#N)n1 ZINC001580668145 1278680050 /nfs/dbraw/zinc/68/00/50/1278680050.db2.gz MAZSUAPWZRQXEH-YPMHNXCESA-N -1 1 369.433 0.990 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CCCNC(=O)[C@H](C)C#N)n1 ZINC001580668145 1278680063 /nfs/dbraw/zinc/68/00/63/1278680063.db2.gz MAZSUAPWZRQXEH-YPMHNXCESA-N -1 1 369.433 0.990 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001575726756 1272387587 /nfs/dbraw/zinc/38/75/87/1272387587.db2.gz ISKZRTFZYFZFRS-CYBMUJFWSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001575726756 1272387598 /nfs/dbraw/zinc/38/75/98/1272387598.db2.gz ISKZRTFZYFZFRS-CYBMUJFWSA-N -1 1 352.402 0.401 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575826807 1272489911 /nfs/dbraw/zinc/48/99/11/1272489911.db2.gz NDBKCORFVXFFGW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575826807 1272489916 /nfs/dbraw/zinc/48/99/16/1272489916.db2.gz NDBKCORFVXFFGW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575837325 1272506200 /nfs/dbraw/zinc/50/62/00/1272506200.db2.gz VFWFGGBNZMLZQK-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM CC1CC(C#N)(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)C1 ZINC001575940008 1272569447 /nfs/dbraw/zinc/56/94/47/1272569447.db2.gz UZNXHVORYOLRNV-UHFFFAOYSA-N -1 1 357.378 0.305 20 30 FCEDMM CC1CC(C#N)(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)C1 ZINC001575940008 1272569454 /nfs/dbraw/zinc/56/94/54/1272569454.db2.gz UZNXHVORYOLRNV-UHFFFAOYSA-N -1 1 357.378 0.305 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580690017 1278720304 /nfs/dbraw/zinc/72/03/04/1278720304.db2.gz FOFNIZFJGAAZHQ-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580690017 1278720312 /nfs/dbraw/zinc/72/03/12/1278720312.db2.gz FOFNIZFJGAAZHQ-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041756 1272762039 /nfs/dbraw/zinc/76/20/39/1272762039.db2.gz SKHQOLQNELZBFB-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041756 1272762045 /nfs/dbraw/zinc/76/20/45/1272762045.db2.gz SKHQOLQNELZBFB-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580694453 1278734923 /nfs/dbraw/zinc/73/49/23/1278734923.db2.gz JCBXWOXQCXJYQO-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580694453 1278734926 /nfs/dbraw/zinc/73/49/26/1278734926.db2.gz JCBXWOXQCXJYQO-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068054 1272820923 /nfs/dbraw/zinc/82/09/23/1272820923.db2.gz DZWZTYYYORFULC-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068054 1272820936 /nfs/dbraw/zinc/82/09/36/1272820936.db2.gz DZWZTYYYORFULC-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)n1 ZINC001580693968 1278735482 /nfs/dbraw/zinc/73/54/82/1278735482.db2.gz AJECTXWSJJFMFR-CQSZACIVSA-N -1 1 352.402 0.685 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CNC(=O)C#CC2CC2)C2CC2)n1 ZINC001580693968 1278735484 /nfs/dbraw/zinc/73/54/84/1278735484.db2.gz AJECTXWSJJFMFR-CQSZACIVSA-N -1 1 352.402 0.685 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576286482 1273100028 /nfs/dbraw/zinc/10/00/28/1273100028.db2.gz CZGDGICMIMXLFB-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576286482 1273100032 /nfs/dbraw/zinc/10/00/32/1273100032.db2.gz CZGDGICMIMXLFB-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576296746 1273110857 /nfs/dbraw/zinc/11/08/57/1273110857.db2.gz IPBULWJQDNPQFA-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576296746 1273110858 /nfs/dbraw/zinc/11/08/58/1273110858.db2.gz IPBULWJQDNPQFA-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC001580718545 1278790134 /nfs/dbraw/zinc/79/01/34/1278790134.db2.gz SDTBEPYQAGFDBL-CABZTGNLSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC001580718545 1278790150 /nfs/dbraw/zinc/79/01/50/1278790150.db2.gz SDTBEPYQAGFDBL-CABZTGNLSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001580722514 1278799059 /nfs/dbraw/zinc/79/90/59/1278799059.db2.gz HRKQDTODYZBUHO-RNCFNFMXSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001580722514 1278799073 /nfs/dbraw/zinc/79/90/73/1278799073.db2.gz HRKQDTODYZBUHO-RNCFNFMXSA-N -1 1 355.406 0.774 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001576885240 1273875457 /nfs/dbraw/zinc/87/54/57/1273875457.db2.gz DAASFEXYICOYLJ-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001576885240 1273875467 /nfs/dbraw/zinc/87/54/67/1273875467.db2.gz DAASFEXYICOYLJ-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580734284 1278829891 /nfs/dbraw/zinc/82/98/91/1278829891.db2.gz JOFUOHZVSGNGFY-PWSUYJOCSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580734284 1278829899 /nfs/dbraw/zinc/82/98/99/1278829899.db2.gz JOFUOHZVSGNGFY-PWSUYJOCSA-N -1 1 355.406 0.775 20 30 FCEDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001577176661 1274225899 /nfs/dbraw/zinc/22/58/99/1274225899.db2.gz GRCYVWYRYSQQCE-NWDGAFQWSA-N -1 1 355.406 0.754 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580742615 1278852779 /nfs/dbraw/zinc/85/27/79/1278852779.db2.gz ZOCYGIYHQFOTGO-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580742615 1278852787 /nfs/dbraw/zinc/85/27/87/1278852787.db2.gz ZOCYGIYHQFOTGO-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580751240 1278862326 /nfs/dbraw/zinc/86/23/26/1278862326.db2.gz OUWYSPJKHWVQNW-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580751240 1278862334 /nfs/dbraw/zinc/86/23/34/1278862334.db2.gz OUWYSPJKHWVQNW-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM N#Cc1cn(CCNC(=O)C2(Cc3c[nH]nn3)CCCCC2)c(=O)[n-]c1=O ZINC001577718989 1274782295 /nfs/dbraw/zinc/78/22/95/1274782295.db2.gz DHRWKCVOTYZLAN-UHFFFAOYSA-N -1 1 371.401 0.248 20 30 FCEDMM N#Cc1cn(CCNC(=O)C2(Cc3cnn[nH]3)CCCCC2)c(=O)[n-]c1=O ZINC001577718989 1274782304 /nfs/dbraw/zinc/78/23/04/1274782304.db2.gz DHRWKCVOTYZLAN-UHFFFAOYSA-N -1 1 371.401 0.248 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nnn[n-]2)nn1 ZINC001578075341 1275380886 /nfs/dbraw/zinc/38/08/86/1275380886.db2.gz YIUXPAGTHPGNTO-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC001578075341 1275380895 /nfs/dbraw/zinc/38/08/95/1275380895.db2.gz YIUXPAGTHPGNTO-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578195032 1275484505 /nfs/dbraw/zinc/48/45/05/1275484505.db2.gz VGIFSGRLTPWHBX-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578201094 1275491152 /nfs/dbraw/zinc/49/11/52/1275491152.db2.gz USVZHPSIJSPFRN-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cncc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578201094 1275491158 /nfs/dbraw/zinc/49/11/58/1275491158.db2.gz USVZHPSIJSPFRN-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578254522 1275554598 /nfs/dbraw/zinc/55/45/98/1275554598.db2.gz TVWDIINSFIXYDE-UHFFFAOYSA-N -1 1 370.329 0.999 20 30 FCEDMM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578254522 1275554600 /nfs/dbraw/zinc/55/46/00/1275554600.db2.gz TVWDIINSFIXYDE-UHFFFAOYSA-N -1 1 370.329 0.999 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578580452 1276013620 /nfs/dbraw/zinc/01/36/20/1276013620.db2.gz GOMXECGESJQZDD-WDEREUQCSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578580452 1276013622 /nfs/dbraw/zinc/01/36/22/1276013622.db2.gz GOMXECGESJQZDD-WDEREUQCSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)n1 ZINC001578583176 1276016452 /nfs/dbraw/zinc/01/64/52/1276016452.db2.gz DZUJTUYSQBXHGH-LLVKDONJSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)n1 ZINC001578583176 1276016456 /nfs/dbraw/zinc/01/64/56/1276016456.db2.gz DZUJTUYSQBXHGH-LLVKDONJSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588510 1276020271 /nfs/dbraw/zinc/02/02/71/1276020271.db2.gz IRGLZFPJVNODLD-NWDGAFQWSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588510 1276020279 /nfs/dbraw/zinc/02/02/79/1276020279.db2.gz IRGLZFPJVNODLD-NWDGAFQWSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)n1 ZINC001578594343 1276027739 /nfs/dbraw/zinc/02/77/39/1276027739.db2.gz HTOROJJKXFLSKI-AXFHLTTASA-N -1 1 355.406 0.462 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2C)n1 ZINC001578594343 1276027742 /nfs/dbraw/zinc/02/77/42/1276027742.db2.gz HTOROJJKXFLSKI-AXFHLTTASA-N -1 1 355.406 0.462 20 30 FCEDMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578672099 1276123556 /nfs/dbraw/zinc/12/35/56/1276123556.db2.gz LZGPBGRFYQRAPO-WDEREUQCSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578672099 1276123559 /nfs/dbraw/zinc/12/35/59/1276123559.db2.gz LZGPBGRFYQRAPO-WDEREUQCSA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578921139 1276463000 /nfs/dbraw/zinc/46/30/00/1276463000.db2.gz DOHOXXASJMOVDW-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578921139 1276463003 /nfs/dbraw/zinc/46/30/03/1276463003.db2.gz DOHOXXASJMOVDW-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578921138 1276463644 /nfs/dbraw/zinc/46/36/44/1276463644.db2.gz DOHOXXASJMOVDW-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578921138 1276463646 /nfs/dbraw/zinc/46/36/46/1276463646.db2.gz DOHOXXASJMOVDW-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)c1cnn(C2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)c1 ZINC001579002166 1276571720 /nfs/dbraw/zinc/57/17/20/1276571720.db2.gz LTVSXNJYOZAKEI-UHFFFAOYSA-N -1 1 365.405 0.632 20 30 FCEDMM CN(C[C@@H]1COc2ccccc2O1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579107242 1276763661 /nfs/dbraw/zinc/76/36/61/1276763661.db2.gz YYWLAQFPEIGCOR-SNVBAGLBSA-N -1 1 350.342 0.805 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579112012 1276775404 /nfs/dbraw/zinc/77/54/04/1276775404.db2.gz GECCINFJARYKAS-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579112012 1276775414 /nfs/dbraw/zinc/77/54/14/1276775414.db2.gz GECCINFJARYKAS-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001579231609 1277039355 /nfs/dbraw/zinc/03/93/55/1277039355.db2.gz IODSGUJXUCJHKM-UHFFFAOYSA-N -1 1 369.410 0.997 20 30 FCEDMM CN(CCc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001579231609 1277039358 /nfs/dbraw/zinc/03/93/58/1277039358.db2.gz IODSGUJXUCJHKM-UHFFFAOYSA-N -1 1 369.410 0.997 20 30 FCEDMM CN(CCc1ccc2c(c1)OCO2)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579230174 1277039565 /nfs/dbraw/zinc/03/95/65/1277039565.db2.gz YCDPAFIYTDCELI-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)ccc1OC ZINC001579478750 1277385003 /nfs/dbraw/zinc/38/50/03/1277385003.db2.gz SFRWXEFNMSWAQY-UHFFFAOYSA-N -1 1 366.341 0.936 20 30 FCEDMM COC(=O)c1ccc(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579481471 1277388555 /nfs/dbraw/zinc/38/85/55/1277388555.db2.gz QWNMUTDOIMQSNU-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001603189622 1287325837 /nfs/dbraw/zinc/32/58/37/1287325837.db2.gz QOIBGKJISTWFDY-KBPBESRZSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001603189622 1287325848 /nfs/dbraw/zinc/32/58/48/1287325848.db2.gz QOIBGKJISTWFDY-KBPBESRZSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001603189457 1287325918 /nfs/dbraw/zinc/32/59/18/1287325918.db2.gz MCROFPGXHWOFPJ-UHFFFAOYSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001603189457 1287325926 /nfs/dbraw/zinc/32/59/26/1287325926.db2.gz MCROFPGXHWOFPJ-UHFFFAOYSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001603190082 1287326984 /nfs/dbraw/zinc/32/69/84/1287326984.db2.gz VNJCXJKBVAAKHW-KBPBESRZSA-N -1 1 368.445 0.635 20 30 FCEDMM CC(C)C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCCCC1=O ZINC001603258524 1287341393 /nfs/dbraw/zinc/34/13/93/1287341393.db2.gz QCVLLBSKHMMEFY-NSHDSACASA-N -1 1 371.405 0.827 20 30 FCEDMM CC(C)COC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001603297649 1287348660 /nfs/dbraw/zinc/34/86/60/1287348660.db2.gz DKOKFAXQHPCBMZ-UHFFFAOYSA-N -1 1 371.405 0.833 20 30 FCEDMM CC(C)COC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001603297649 1287348666 /nfs/dbraw/zinc/34/86/66/1287348666.db2.gz DKOKFAXQHPCBMZ-UHFFFAOYSA-N -1 1 371.405 0.833 20 30 FCEDMM Cc1ccccc1[C@H]1C(=O)NCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581256812 1279530905 /nfs/dbraw/zinc/53/09/05/1279530905.db2.gz QUPFXJNAXBLJSI-HNNXBMFYSA-N -1 1 361.369 0.514 20 30 FCEDMM Cc1ccccc1[C@H]1C(=O)NCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581256812 1279530914 /nfs/dbraw/zinc/53/09/14/1279530914.db2.gz QUPFXJNAXBLJSI-HNNXBMFYSA-N -1 1 361.369 0.514 20 30 FCEDMM CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C#CC1CC1 ZINC001603324347 1287356657 /nfs/dbraw/zinc/35/66/57/1287356657.db2.gz HADIMUATMNTBSS-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C#CC1CC1 ZINC001603324347 1287356658 /nfs/dbraw/zinc/35/66/58/1287356658.db2.gz HADIMUATMNTBSS-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1csc(CS(C)(=O)=O)n1 ZINC001581410396 1279878492 /nfs/dbraw/zinc/87/84/92/1279878492.db2.gz GEVXOWODHRHOPZ-UHFFFAOYSA-N -1 1 364.416 0.293 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CSCC#N ZINC001603477135 1287384742 /nfs/dbraw/zinc/38/47/42/1287384742.db2.gz ZBGWPOSOASXGEX-JTQLQIEISA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001603477135 1287384744 /nfs/dbraw/zinc/38/47/44/1287384744.db2.gz ZBGWPOSOASXGEX-JTQLQIEISA-N -1 1 361.435 0.610 20 30 FCEDMM Cc1nn(C)c(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nnn[n-]1 ZINC001581593426 1280192453 /nfs/dbraw/zinc/19/24/53/1280192453.db2.gz BXOPRNIGXDUXCF-UHFFFAOYSA-N -1 1 352.358 0.992 20 30 FCEDMM Cc1nn(C)c(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nn[n-]n1 ZINC001581593426 1280192458 /nfs/dbraw/zinc/19/24/58/1280192458.db2.gz BXOPRNIGXDUXCF-UHFFFAOYSA-N -1 1 352.358 0.992 20 30 FCEDMM Cc1nsc(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1-c1nn[n-]n1 ZINC001581714100 1280409467 /nfs/dbraw/zinc/40/94/67/1280409467.db2.gz GKAYKNSULKTSGN-SCZZXKLOSA-N -1 1 362.419 0.431 20 30 FCEDMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C#CC1CC1)C1CC1 ZINC001603555005 1287422778 /nfs/dbraw/zinc/42/27/78/1287422778.db2.gz NOOVDPIQUJYVEJ-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C#CC1CC1)C1CC1 ZINC001603555005 1287422785 /nfs/dbraw/zinc/42/27/85/1287422785.db2.gz NOOVDPIQUJYVEJ-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM N#C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCN1C1CC1 ZINC001581856719 1280608450 /nfs/dbraw/zinc/60/84/50/1280608450.db2.gz ALQWMFMQHICZCN-NSHDSACASA-N -1 1 358.431 0.810 20 30 FCEDMM N#CCCc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001581858301 1280608538 /nfs/dbraw/zinc/60/85/38/1280608538.db2.gz ZHEPBZJHSSGTNC-UHFFFAOYSA-N -1 1 366.341 0.224 20 30 FCEDMM N#CCCN(CCC#N)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001581858306 1280608941 /nfs/dbraw/zinc/60/89/41/1280608941.db2.gz ZMFFJDSEBVHHKC-UHFFFAOYSA-N -1 1 351.417 0.887 20 30 FCEDMM N#CCc1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001581859199 1280610923 /nfs/dbraw/zinc/61/09/23/1280610923.db2.gz AMDOUYRBTAHVKH-UHFFFAOYSA-N -1 1 366.341 0.224 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001581858781 1280611186 /nfs/dbraw/zinc/61/11/86/1280611186.db2.gz VTEDXSOMPQAYJH-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001581858781 1280611196 /nfs/dbraw/zinc/61/11/96/1280611196.db2.gz VTEDXSOMPQAYJH-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)nc1-c1nn[nH]n1 ZINC001581860573 1280613208 /nfs/dbraw/zinc/61/32/08/1280613208.db2.gz HYFKAVYZGYCWHS-RSVKCKOMSA-N -1 1 350.342 0.493 20 30 FCEDMM N#C[C@]12CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001581860203 1280613920 /nfs/dbraw/zinc/61/39/20/1280613920.db2.gz PDFMHXUMDXRRLK-ISVAXAHUSA-N -1 1 365.806 0.290 20 30 FCEDMM N#C[C@]12CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001581860203 1280613926 /nfs/dbraw/zinc/61/39/26/1280613926.db2.gz PDFMHXUMDXRRLK-ISVAXAHUSA-N -1 1 365.806 0.290 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC2CCN(CC(F)F)CC2)nc1-c1nn[nH]n1 ZINC001581860421 1280614677 /nfs/dbraw/zinc/61/46/77/1280614677.db2.gz ZJTGIMMUSXYXFW-UHFFFAOYSA-N -1 1 365.348 0.767 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864361 1280616505 /nfs/dbraw/zinc/61/65/05/1280616505.db2.gz SJUANFBNJHOJFX-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864361 1280616513 /nfs/dbraw/zinc/61/65/13/1280616513.db2.gz SJUANFBNJHOJFX-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c[nH]1 ZINC001581865189 1280619478 /nfs/dbraw/zinc/61/94/78/1280619478.db2.gz FGTPTZHINJIVFK-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581865189 1280619488 /nfs/dbraw/zinc/61/94/88/1280619488.db2.gz FGTPTZHINJIVFK-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(F)cc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581866676 1280621727 /nfs/dbraw/zinc/62/17/27/1280621727.db2.gz PKQZGMGERRPJFT-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1cc(F)cc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581866676 1280621734 /nfs/dbraw/zinc/62/17/34/1280621734.db2.gz PKQZGMGERRPJFT-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581867538 1280623315 /nfs/dbraw/zinc/62/33/15/1280623315.db2.gz MCTYTSMYBMPZKP-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581867538 1280623322 /nfs/dbraw/zinc/62/33/22/1280623322.db2.gz MCTYTSMYBMPZKP-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581868355 1280625900 /nfs/dbraw/zinc/62/59/00/1280625900.db2.gz QZQGYYGMPPUYBE-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581868355 1280625904 /nfs/dbraw/zinc/62/59/04/1280625904.db2.gz QZQGYYGMPPUYBE-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581868145 1280626063 /nfs/dbraw/zinc/62/60/63/1280626063.db2.gz KLBFLNBQUDCLNC-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581868145 1280626070 /nfs/dbraw/zinc/62/60/70/1280626070.db2.gz KLBFLNBQUDCLNC-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cnc(NCCn2cnc(-c3nn[n-]n3)n2)c(Br)c1 ZINC001581877765 1280632932 /nfs/dbraw/zinc/63/29/32/1280632932.db2.gz IGPOJCSVCMSYFK-UHFFFAOYSA-N -1 1 361.167 0.599 20 30 FCEDMM N#Cc1nc(N2CCC(C(=O)N3CCCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878700 1280633759 /nfs/dbraw/zinc/63/37/59/1280633759.db2.gz XZCLPTYIEPTSRH-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N2CCC(C(=O)N3CCCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878700 1280633768 /nfs/dbraw/zinc/63/37/68/1280633768.db2.gz XZCLPTYIEPTSRH-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(C(=O)C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880259 1280637901 /nfs/dbraw/zinc/63/79/01/1280637901.db2.gz DWLJAUDTFVGFPN-NSHDSACASA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(C(=O)C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880259 1280637909 /nfs/dbraw/zinc/63/79/09/1280637909.db2.gz DWLJAUDTFVGFPN-NSHDSACASA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2ccc(F)c(F)c2)cnc1-c1nnn[n-]1 ZINC001581880407 1280638060 /nfs/dbraw/zinc/63/80/60/1280638060.db2.gz ITNNKIZRMQZECE-MRVPVSSYSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2ccc(F)c(F)c2)cnc1-c1nn[n-]n1 ZINC001581880407 1280638073 /nfs/dbraw/zinc/63/80/73/1280638073.db2.gz ITNNKIZRMQZECE-MRVPVSSYSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cnc1-c1nnn[n-]1 ZINC001581879802 1280638840 /nfs/dbraw/zinc/63/88/40/1280638840.db2.gz YAZTWXLWEKORTN-UHFFFAOYSA-N -1 1 351.330 0.084 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cnc1-c1nn[n-]n1 ZINC001581879802 1280638848 /nfs/dbraw/zinc/63/88/48/1280638848.db2.gz YAZTWXLWEKORTN-UHFFFAOYSA-N -1 1 351.330 0.084 20 30 FCEDMM N#Cc1ncc(N2CCCN(c3ncccc3F)CC2)nc1-c1nn[n-]n1 ZINC001581882061 1280642401 /nfs/dbraw/zinc/64/24/01/1280642401.db2.gz JVZQBNJYGLXROQ-UHFFFAOYSA-N -1 1 366.364 0.779 20 30 FCEDMM N#Cc1ncc(NC[C@@H](CO)Cc2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001581882865 1280645339 /nfs/dbraw/zinc/64/53/39/1280645339.db2.gz KDVJMIQITTUDFQ-NSHDSACASA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001581883231 1280647106 /nfs/dbraw/zinc/64/71/06/1280647106.db2.gz SGEWKEQEHWASBU-SECBINFHSA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1ncc(NCc2ncc(Br)cn2)nc1-c1nn[n-]n1 ZINC001581884202 1280649122 /nfs/dbraw/zinc/64/91/22/1280649122.db2.gz OVZVRHQFENMTAO-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001581912499 1280714130 /nfs/dbraw/zinc/71/41/30/1280714130.db2.gz OISKCGCYQIFVGB-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001581912499 1280714138 /nfs/dbraw/zinc/71/41/38/1280714138.db2.gz OISKCGCYQIFVGB-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001581912349 1280714237 /nfs/dbraw/zinc/71/42/37/1280714237.db2.gz GVSSCCVUIQHDLA-GOSISDBHSA-N -1 1 364.413 0.499 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001581912349 1280714245 /nfs/dbraw/zinc/71/42/45/1280714245.db2.gz GVSSCCVUIQHDLA-GOSISDBHSA-N -1 1 364.413 0.499 20 30 FCEDMM C[C@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC001603631319 1287450143 /nfs/dbraw/zinc/45/01/43/1287450143.db2.gz YAPVXRVFEWUMKP-JTQLQIEISA-N -1 1 352.362 0.390 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687993 1287470801 /nfs/dbraw/zinc/47/08/01/1287470801.db2.gz SFWPCCVWXIDARO-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687993 1287470804 /nfs/dbraw/zinc/47/08/04/1287470804.db2.gz SFWPCCVWXIDARO-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C#C[C@@H](CC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588326064 1282418331 /nfs/dbraw/zinc/41/83/31/1282418331.db2.gz DBEWLTNNVAYZCX-NEPJUHHUSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@@H](CC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588326064 1282418332 /nfs/dbraw/zinc/41/83/32/1282418332.db2.gz DBEWLTNNVAYZCX-NEPJUHHUSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccnc3c(-c4nnn[n-]4)cnn32)n1CC ZINC001588326063 1282418814 /nfs/dbraw/zinc/41/88/14/1282418814.db2.gz CZRYLQWVZVXCMK-SNVBAGLBSA-N -1 1 363.389 0.646 20 30 FCEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccnc3c(-c4nn[n-]n4)cnn32)n1CC ZINC001588326063 1282418826 /nfs/dbraw/zinc/41/88/26/1282418826.db2.gz CZRYLQWVZVXCMK-SNVBAGLBSA-N -1 1 363.389 0.646 20 30 FCEDMM C#C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1 ZINC001588328201 1282419652 /nfs/dbraw/zinc/41/96/52/1282419652.db2.gz AURZPIQOOAYMJG-LLVKDONJSA-N -1 1 355.333 0.190 20 30 FCEDMM C#C[C@@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588327843 1282419925 /nfs/dbraw/zinc/41/99/25/1282419925.db2.gz SCJPTIWEQWXZJQ-VIFPVBQESA-N -1 1 350.360 0.855 20 30 FCEDMM C#C[C@@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588327843 1282419930 /nfs/dbraw/zinc/41/99/30/1282419930.db2.gz SCJPTIWEQWXZJQ-VIFPVBQESA-N -1 1 350.360 0.855 20 30 FCEDMM C#CC[C@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588333738 1282425882 /nfs/dbraw/zinc/42/58/82/1282425882.db2.gz CSCHBIKDJIPZSI-SECBINFHSA-N -1 1 366.359 0.092 20 30 FCEDMM C#CCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCC1 ZINC001588335205 1282427331 /nfs/dbraw/zinc/42/73/31/1282427331.db2.gz CHZYEIIYJVSEAK-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCC1 ZINC001588335205 1282427336 /nfs/dbraw/zinc/42/73/36/1282427336.db2.gz CHZYEIIYJVSEAK-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](CC)C1 ZINC001588336584 1282429692 /nfs/dbraw/zinc/42/96/92/1282429692.db2.gz QNCMVIIIGQDQBF-KGLIPLIRSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588340038 1282434051 /nfs/dbraw/zinc/43/40/51/1282434051.db2.gz CQSLMTJYXAMWML-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588339938 1282434687 /nfs/dbraw/zinc/43/46/87/1282434687.db2.gz ZUHUJTMCDDXKMP-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588339938 1282434691 /nfs/dbraw/zinc/43/46/91/1282434691.db2.gz ZUHUJTMCDDXKMP-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001588341126 1282436391 /nfs/dbraw/zinc/43/63/91/1282436391.db2.gz YNVAXNNTZZFPOH-AGIUHOORSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001588340589 1282436935 /nfs/dbraw/zinc/43/69/35/1282436935.db2.gz WHGSRMSYDXYKCW-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588341829 1282438423 /nfs/dbraw/zinc/43/84/23/1282438423.db2.gz QUMZLVRQJNCMHB-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588341829 1282438428 /nfs/dbraw/zinc/43/84/28/1282438428.db2.gz QUMZLVRQJNCMHB-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588342667 1282438824 /nfs/dbraw/zinc/43/88/24/1282438824.db2.gz PGMPBNAOQLOAHU-BETUJISGSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588342209 1282439025 /nfs/dbraw/zinc/43/90/25/1282439025.db2.gz VXRLRSAQTSKNPG-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588344669 1282440371 /nfs/dbraw/zinc/44/03/71/1282440371.db2.gz ZKLXEUIQFKPGLT-KBPBESRZSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCN(C)S(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001588349248 1282441689 /nfs/dbraw/zinc/44/16/89/1282441689.db2.gz JMAQKTBBSJGAQG-UHFFFAOYSA-N -1 1 356.205 0.883 20 30 FCEDMM C#CCN(C)S(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001588349248 1282441693 /nfs/dbraw/zinc/44/16/93/1282441693.db2.gz JMAQKTBBSJGAQG-UHFFFAOYSA-N -1 1 356.205 0.883 20 30 FCEDMM C#CCN(C(=O)C1CC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588347467 1282442206 /nfs/dbraw/zinc/44/22/06/1282442206.db2.gz QOHVSOZBFOQOOZ-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCN(C(=O)C1CC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588347467 1282442211 /nfs/dbraw/zinc/44/22/11/1282442211.db2.gz QOHVSOZBFOQOOZ-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCCc2ccccc21 ZINC001588348495 1282442548 /nfs/dbraw/zinc/44/25/48/1282442548.db2.gz YQMFTOHMEJVLTR-OAHLLOKOSA-N -1 1 362.397 0.998 20 30 FCEDMM C#CCN(C)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1C[C@H]1CCOC1 ZINC001588350000 1282444839 /nfs/dbraw/zinc/44/48/39/1282444839.db2.gz XSTKHEBCQBRQFH-GFCCVEGCSA-N -1 1 365.401 0.626 20 30 FCEDMM C#CCN(C)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1C[C@H]1CCOC1 ZINC001588350000 1282444845 /nfs/dbraw/zinc/44/48/45/1282444845.db2.gz XSTKHEBCQBRQFH-GFCCVEGCSA-N -1 1 365.401 0.626 20 30 FCEDMM C#CCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588349615 1282444865 /nfs/dbraw/zinc/44/48/65/1282444865.db2.gz SZLBGIXQQYLSJZ-UHFFFAOYSA-N -1 1 368.332 0.222 20 30 FCEDMM C#CCN(CC#N)C(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001588350211 1282445257 /nfs/dbraw/zinc/44/52/57/1282445257.db2.gz ITXKAGYQISTVSH-UHFFFAOYSA-N -1 1 354.374 0.365 20 30 FCEDMM C#CCN1CCN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)CC1 ZINC001588353074 1282449306 /nfs/dbraw/zinc/44/93/06/1282449306.db2.gz FSPPFQMTLYDSKX-UHFFFAOYSA-N -1 1 353.430 0.116 20 30 FCEDMM C#CCNC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588353815 1282449435 /nfs/dbraw/zinc/44/94/35/1282449435.db2.gz HQWUTZFFAHXCTI-UHFFFAOYSA-N -1 1 372.410 0.767 20 30 FCEDMM C#CCNC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588353815 1282449440 /nfs/dbraw/zinc/44/94/40/1282449440.db2.gz HQWUTZFFAHXCTI-UHFFFAOYSA-N -1 1 372.410 0.767 20 30 FCEDMM C#CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588353119 1282450218 /nfs/dbraw/zinc/45/02/18/1282450218.db2.gz HBSCKURTWFCIIQ-UHFFFAOYSA-N -1 1 354.374 0.255 20 30 FCEDMM C#CCNC(=O)C1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588353119 1282450223 /nfs/dbraw/zinc/45/02/23/1282450223.db2.gz HBSCKURTWFCIIQ-UHFFFAOYSA-N -1 1 354.374 0.255 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355328 1282453766 /nfs/dbraw/zinc/45/37/66/1282453766.db2.gz GSODUCIEODKOIZ-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355328 1282453771 /nfs/dbraw/zinc/45/37/71/1282453771.db2.gz GSODUCIEODKOIZ-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588355838 1282457194 /nfs/dbraw/zinc/45/71/94/1282457194.db2.gz NOGICORGMZXWHE-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588355838 1282457200 /nfs/dbraw/zinc/45/72/00/1282457200.db2.gz NOGICORGMZXWHE-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001588356064 1282457370 /nfs/dbraw/zinc/45/73/70/1282457370.db2.gz SDISLJJYPZKLLI-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001588356064 1282457375 /nfs/dbraw/zinc/45/73/75/1282457375.db2.gz SDISLJJYPZKLLI-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588356463 1282459254 /nfs/dbraw/zinc/45/92/54/1282459254.db2.gz CDAGSVHNBCYGCN-AAEUAGOBSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588356463 1282459258 /nfs/dbraw/zinc/45/92/58/1282459258.db2.gz CDAGSVHNBCYGCN-AAEUAGOBSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001588356191 1282459917 /nfs/dbraw/zinc/45/99/17/1282459917.db2.gz AHXYACLRCALPLB-MRVPVSSYSA-N -1 1 369.838 0.567 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001588356191 1282459925 /nfs/dbraw/zinc/45/99/25/1282459925.db2.gz AHXYACLRCALPLB-MRVPVSSYSA-N -1 1 369.838 0.567 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588356537 1282460489 /nfs/dbraw/zinc/46/04/89/1282460489.db2.gz DAQALVUVIXGRKE-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588357002 1282462424 /nfs/dbraw/zinc/46/24/24/1282462424.db2.gz HZATUFGCIRUVQW-QWHCGFSZSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588357002 1282462429 /nfs/dbraw/zinc/46/24/29/1282462429.db2.gz HZATUFGCIRUVQW-QWHCGFSZSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588357192 1282465787 /nfs/dbraw/zinc/46/57/87/1282465787.db2.gz IZCUGCXLDHCBPU-BXUZGUMPSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588357192 1282465788 /nfs/dbraw/zinc/46/57/88/1282465788.db2.gz IZCUGCXLDHCBPU-BXUZGUMPSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588357630 1282467618 /nfs/dbraw/zinc/46/76/18/1282467618.db2.gz OADYGTODGIJRTC-YUMQZZPRSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588357630 1282467621 /nfs/dbraw/zinc/46/76/21/1282467621.db2.gz OADYGTODGIJRTC-YUMQZZPRSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1nccnc1-c1nnn[n-]1 ZINC001588358043 1282468828 /nfs/dbraw/zinc/46/88/28/1282468828.db2.gz SOJZICRMZOZROT-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1nccnc1-c1nn[n-]n1 ZINC001588358043 1282468833 /nfs/dbraw/zinc/46/88/33/1282468833.db2.gz SOJZICRMZOZROT-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CC)c1snc(C)c1-c1nn[n-]n1 ZINC001588358037 1282469122 /nfs/dbraw/zinc/46/91/22/1282469122.db2.gz SIUYARRSPGRPET-NSHDSACASA-N -1 1 363.447 0.612 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588358638 1282470922 /nfs/dbraw/zinc/47/09/22/1282470922.db2.gz ULVOEDTXSCQUGQ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588358638 1282470928 /nfs/dbraw/zinc/47/09/28/1282470928.db2.gz ULVOEDTXSCQUGQ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588358870 1282472183 /nfs/dbraw/zinc/47/21/83/1282472183.db2.gz VZQZKSQSCSUYDO-GFCCVEGCSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588358870 1282472186 /nfs/dbraw/zinc/47/21/86/1282472186.db2.gz VZQZKSQSCSUYDO-GFCCVEGCSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588359051 1282473469 /nfs/dbraw/zinc/47/34/69/1282473469.db2.gz GHGSAAPKUGRVQM-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588359051 1282473472 /nfs/dbraw/zinc/47/34/72/1282473472.db2.gz GHGSAAPKUGRVQM-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588359266 1282474584 /nfs/dbraw/zinc/47/45/84/1282474584.db2.gz JLASFVATBQFETG-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588359266 1282474586 /nfs/dbraw/zinc/47/45/86/1282474586.db2.gz JLASFVATBQFETG-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588360105 1282476092 /nfs/dbraw/zinc/47/60/92/1282476092.db2.gz IKUUHZCIFGDFAG-AWEZNQCLSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588360105 1282476093 /nfs/dbraw/zinc/47/60/93/1282476093.db2.gz IKUUHZCIFGDFAG-AWEZNQCLSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588359877 1282477188 /nfs/dbraw/zinc/47/71/88/1282477188.db2.gz ZXZQOCCMPVJNBM-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588359877 1282477191 /nfs/dbraw/zinc/47/71/91/1282477191.db2.gz ZXZQOCCMPVJNBM-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588361848 1282484779 /nfs/dbraw/zinc/48/47/79/1282484779.db2.gz UAPLLGQLHDKWMO-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588361848 1282484785 /nfs/dbraw/zinc/48/47/85/1282484785.db2.gz UAPLLGQLHDKWMO-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCn1cc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)cn1 ZINC001588363877 1282488519 /nfs/dbraw/zinc/48/85/19/1282488519.db2.gz GYPSLLNBJRKHHL-UHFFFAOYSA-N -1 1 363.428 0.378 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588371399 1282493535 /nfs/dbraw/zinc/49/35/35/1282493535.db2.gz GEZWMYHLOVMXKF-NSHDSACASA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588371350 1282493547 /nfs/dbraw/zinc/49/35/47/1282493547.db2.gz DKQKRFAIHLCZIN-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588371350 1282493552 /nfs/dbraw/zinc/49/35/52/1282493552.db2.gz DKQKRFAIHLCZIN-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001588370045 1282493643 /nfs/dbraw/zinc/49/36/43/1282493643.db2.gz KGBPPEYNJIKJKS-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001588370045 1282493648 /nfs/dbraw/zinc/49/36/48/1282493648.db2.gz KGBPPEYNJIKJKS-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001588380136 1282494948 /nfs/dbraw/zinc/49/49/48/1282494948.db2.gz UUNFPFQCDKKSAG-UHFFFAOYSA-N -1 1 365.357 0.055 20 30 FCEDMM C#Cc1cncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001588380136 1282494953 /nfs/dbraw/zinc/49/49/53/1282494953.db2.gz UUNFPFQCDKKSAG-UHFFFAOYSA-N -1 1 365.357 0.055 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001588380270 1282495252 /nfs/dbraw/zinc/49/52/52/1282495252.db2.gz ZKAOHGWRWCLZOK-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001588380270 1282495262 /nfs/dbraw/zinc/49/52/62/1282495262.db2.gz ZKAOHGWRWCLZOK-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588380213 1282495620 /nfs/dbraw/zinc/49/56/20/1282495620.db2.gz XOWHLKCZZBJGSA-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588380213 1282495629 /nfs/dbraw/zinc/49/56/29/1282495629.db2.gz XOWHLKCZZBJGSA-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588377342 1282496422 /nfs/dbraw/zinc/49/64/22/1282496422.db2.gz WDHKSTMYQKEWST-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588377342 1282496426 /nfs/dbraw/zinc/49/64/26/1282496426.db2.gz WDHKSTMYQKEWST-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588377245 1282496488 /nfs/dbraw/zinc/49/64/88/1282496488.db2.gz SZZBYWOXQBPXKA-UHFFFAOYSA-N -1 1 374.408 0.363 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380935 1282498269 /nfs/dbraw/zinc/49/82/69/1282498269.db2.gz PVVWTDQYZFQBHT-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380935 1282498274 /nfs/dbraw/zinc/49/82/74/1282498274.db2.gz PVVWTDQYZFQBHT-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403227 1282501062 /nfs/dbraw/zinc/50/10/62/1282501062.db2.gz XQLVLCHORYSGRE-GFCCVEGCSA-N -1 1 360.422 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588443591 1282506969 /nfs/dbraw/zinc/50/69/69/1282506969.db2.gz VECDTHIRBXFCQI-DYEKYZERSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588443591 1282506981 /nfs/dbraw/zinc/50/69/81/1282506981.db2.gz VECDTHIRBXFCQI-DYEKYZERSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(Cn1cc(-c2nnn[n-]2)c(I)n1)C(=O)OCC ZINC001588448225 1282507741 /nfs/dbraw/zinc/50/77/41/1282507741.db2.gz SBEVAERJSPIVDK-UHFFFAOYSA-N -1 1 374.142 0.787 20 30 FCEDMM C=C(Cn1cc(-c2nn[n-]n2)c(I)n1)C(=O)OCC ZINC001588448225 1282507750 /nfs/dbraw/zinc/50/77/50/1282507750.db2.gz SBEVAERJSPIVDK-UHFFFAOYSA-N -1 1 374.142 0.787 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588443764 1282509006 /nfs/dbraw/zinc/50/90/06/1282509006.db2.gz YGEDQCWESUTHNB-OBJOEFQTSA-N -1 1 372.433 0.863 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588443764 1282509017 /nfs/dbraw/zinc/50/90/17/1282509017.db2.gz YGEDQCWESUTHNB-OBJOEFQTSA-N -1 1 372.433 0.863 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001588443217 1282509306 /nfs/dbraw/zinc/50/93/06/1282509306.db2.gz OKOWSIATGOQKHW-JQWIXIFHSA-N -1 1 374.405 0.346 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001588443217 1282509321 /nfs/dbraw/zinc/50/93/21/1282509321.db2.gz OKOWSIATGOQKHW-JQWIXIFHSA-N -1 1 374.405 0.346 20 30 FCEDMM C=CC(C)(C)CCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588488237 1282521106 /nfs/dbraw/zinc/52/11/06/1282521106.db2.gz YMCOTQNDAKOTGI-UHFFFAOYSA-N -1 1 361.406 0.628 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588495352 1282522459 /nfs/dbraw/zinc/52/24/59/1282522459.db2.gz CLXAEAGHUTUAOJ-MRXNPFEDSA-N -1 1 372.433 0.368 20 30 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ZINC001588608328 1282585228 /nfs/dbraw/zinc/58/52/28/1282585228.db2.gz JZGHRMYWBASENR-GFCCVEGCSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588609440 1282587235 /nfs/dbraw/zinc/58/72/35/1282587235.db2.gz XETIXCGYSBXDGU-QWHCGFSZSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588609242 1282587856 /nfs/dbraw/zinc/58/78/56/1282587856.db2.gz VTZYOVGTRDFBBV-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588609242 1282587864 /nfs/dbraw/zinc/58/78/64/1282587864.db2.gz VTZYOVGTRDFBBV-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588610621 1282588837 /nfs/dbraw/zinc/58/88/37/1282588837.db2.gz ITTLUICVUVDNQH-SDDRHHMPSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588610621 1282588848 /nfs/dbraw/zinc/58/88/48/1282588848.db2.gz ITTLUICVUVDNQH-SDDRHHMPSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588611008 1282589073 /nfs/dbraw/zinc/58/90/73/1282589073.db2.gz PFFTZROOFBQBIR-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588611008 1282589081 /nfs/dbraw/zinc/58/90/81/1282589081.db2.gz PFFTZROOFBQBIR-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588615809 1282593146 /nfs/dbraw/zinc/59/31/46/1282593146.db2.gz IPIRJIHEVWYLAG-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588615809 1282593152 /nfs/dbraw/zinc/59/31/52/1282593152.db2.gz IPIRJIHEVWYLAG-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588616009 1282593193 /nfs/dbraw/zinc/59/31/93/1282593193.db2.gz QZYNVOBIUCZXTJ-TXEJJXNPSA-N -1 1 372.433 0.871 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588616009 1282593200 /nfs/dbraw/zinc/59/32/00/1282593200.db2.gz QZYNVOBIUCZXTJ-TXEJJXNPSA-N -1 1 372.433 0.871 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588616253 1282594693 /nfs/dbraw/zinc/59/46/93/1282594693.db2.gz BUKMKUOMRNSJBL-GFCCVEGCSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588616253 1282594703 /nfs/dbraw/zinc/59/47/03/1282594703.db2.gz BUKMKUOMRNSJBL-GFCCVEGCSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588617272 1282599035 /nfs/dbraw/zinc/59/90/35/1282599035.db2.gz SFNOXZOFDMDSCG-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588617272 1282599042 /nfs/dbraw/zinc/59/90/42/1282599042.db2.gz SFNOXZOFDMDSCG-STQMWFEESA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCNC(=S)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588664235 1282616171 /nfs/dbraw/zinc/61/61/71/1282616171.db2.gz VIFIOGKQUPFOCZ-UHFFFAOYSA-N -1 1 350.477 0.814 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001588667274 1282622223 /nfs/dbraw/zinc/62/22/23/1282622223.db2.gz TYCIQGFNPMSXGG-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001588667274 1282622239 /nfs/dbraw/zinc/62/22/39/1282622239.db2.gz TYCIQGFNPMSXGG-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001588667626 1282622880 /nfs/dbraw/zinc/62/28/80/1282622880.db2.gz YLWAGXFMGHLLTC-TXEJJXNPSA-N -1 1 356.390 0.039 20 30 FCEDMM C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001588667626 1282622891 /nfs/dbraw/zinc/62/28/91/1282622891.db2.gz YLWAGXFMGHLLTC-TXEJJXNPSA-N -1 1 356.390 0.039 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001588667273 1282623857 /nfs/dbraw/zinc/62/38/57/1282623857.db2.gz TYCIQGFNPMSXGG-NWDGAFQWSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001588667273 1282623874 /nfs/dbraw/zinc/62/38/74/1282623874.db2.gz TYCIQGFNPMSXGG-NWDGAFQWSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588667393 1282624521 /nfs/dbraw/zinc/62/45/21/1282624521.db2.gz YALXSUAAIOTOKE-NWDGAFQWSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588667393 1282624533 /nfs/dbraw/zinc/62/45/33/1282624533.db2.gz YALXSUAAIOTOKE-NWDGAFQWSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588672637 1282626576 /nfs/dbraw/zinc/62/65/76/1282626576.db2.gz XFWIZFZCIKEJEH-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588672637 1282626587 /nfs/dbraw/zinc/62/65/87/1282626587.db2.gz XFWIZFZCIKEJEH-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588672649 1282626683 /nfs/dbraw/zinc/62/66/83/1282626683.db2.gz XTGJHOGGIBAKHE-OLZOCXBDSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588672680 1282626774 /nfs/dbraw/zinc/62/67/74/1282626774.db2.gz YMGHDFWXHPOJOP-MNOVXSKESA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588672680 1282626788 /nfs/dbraw/zinc/62/67/88/1282626788.db2.gz YMGHDFWXHPOJOP-MNOVXSKESA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)NC1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588674235 1282632400 /nfs/dbraw/zinc/63/24/00/1282632400.db2.gz LUPAEIFDEHCCHX-UHFFFAOYSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCC(=O)NC1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001588674235 1282632414 /nfs/dbraw/zinc/63/24/14/1282632414.db2.gz LUPAEIFDEHCCHX-UHFFFAOYSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588675984 1282634911 /nfs/dbraw/zinc/63/49/11/1282634911.db2.gz MUMYUXJMRBRVAX-LBPRGKRZSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588675984 1282634929 /nfs/dbraw/zinc/63/49/29/1282634929.db2.gz MUMYUXJMRBRVAX-LBPRGKRZSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588681147 1282637699 /nfs/dbraw/zinc/63/76/99/1282637699.db2.gz JRUNRTZGHQRUSQ-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588681147 1282637713 /nfs/dbraw/zinc/63/77/13/1282637713.db2.gz JRUNRTZGHQRUSQ-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588682334 1282640369 /nfs/dbraw/zinc/64/03/69/1282640369.db2.gz MKGYSYUVORGGJK-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588682334 1282640392 /nfs/dbraw/zinc/64/03/92/1282640392.db2.gz MKGYSYUVORGGJK-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOc1cccc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001588690142 1282647569 /nfs/dbraw/zinc/64/75/69/1282647569.db2.gz UUTLPVMTDPOSBL-UHFFFAOYSA-N -1 1 355.362 0.845 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(CC)CCOCC ZINC001588700528 1282651868 /nfs/dbraw/zinc/65/18/68/1282651868.db2.gz SIMMHPCKLOUZCM-UHFFFAOYSA-N -1 1 358.410 0.897 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CCC[C@H](OC)C1 ZINC001588699709 1282653339 /nfs/dbraw/zinc/65/33/39/1282653339.db2.gz LYXJKDKRWQZQSU-NSHDSACASA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CCC[C@H](OC)C1 ZINC001588699709 1282653352 /nfs/dbraw/zinc/65/33/52/1282653352.db2.gz LYXJKDKRWQZQSU-NSHDSACASA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N(CC)CCOCC ZINC001588700164 1282654318 /nfs/dbraw/zinc/65/43/18/1282654318.db2.gz QZHWFZNKDANYHN-UHFFFAOYSA-N -1 1 370.421 0.964 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N(CC)CCOCC ZINC001588700164 1282654326 /nfs/dbraw/zinc/65/43/26/1282654326.db2.gz QZHWFZNKDANYHN-UHFFFAOYSA-N -1 1 370.421 0.964 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)CCC(C)C ZINC001588710002 1282656372 /nfs/dbraw/zinc/65/63/72/1282656372.db2.gz ZXGKYLPDYSFCKM-UHFFFAOYSA-N -1 1 357.426 0.766 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001588711519 1282657254 /nfs/dbraw/zinc/65/72/54/1282657254.db2.gz QMMJUFJLQUEYOT-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001588711519 1282657264 /nfs/dbraw/zinc/65/72/64/1282657264.db2.gz QMMJUFJLQUEYOT-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001588712757 1282658701 /nfs/dbraw/zinc/65/87/01/1282658701.db2.gz COOMAOKBDUQFPJ-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001588712757 1282658716 /nfs/dbraw/zinc/65/87/16/1282658716.db2.gz COOMAOKBDUQFPJ-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588721291 1282664339 /nfs/dbraw/zinc/66/43/39/1282664339.db2.gz GCUXUUZTKYDAHK-XQQFMLRXSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588721291 1282664349 /nfs/dbraw/zinc/66/43/49/1282664349.db2.gz GCUXUUZTKYDAHK-XQQFMLRXSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588718210 1282665795 /nfs/dbraw/zinc/66/57/95/1282665795.db2.gz BPGQDDNODPSYOL-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588718210 1282665807 /nfs/dbraw/zinc/66/58/07/1282665807.db2.gz BPGQDDNODPSYOL-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588723460 1282670314 /nfs/dbraw/zinc/67/03/14/1282670314.db2.gz NKHPZRFBHAOBDU-BNOWGMLFSA-N -1 1 372.433 0.801 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588723460 1282670329 /nfs/dbraw/zinc/67/03/29/1282670329.db2.gz NKHPZRFBHAOBDU-BNOWGMLFSA-N -1 1 372.433 0.801 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588724068 1282670417 /nfs/dbraw/zinc/67/04/17/1282670417.db2.gz URPKNPSIRJQMPI-SCRDCRAPSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588724068 1282670424 /nfs/dbraw/zinc/67/04/24/1282670424.db2.gz URPKNPSIRJQMPI-SCRDCRAPSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588724149 1282671266 /nfs/dbraw/zinc/67/12/66/1282671266.db2.gz WRMKQDRKJIMJGU-BZPMIXESSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588724149 1282671269 /nfs/dbraw/zinc/67/12/69/1282671269.db2.gz WRMKQDRKJIMJGU-BZPMIXESSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588724366 1282674974 /nfs/dbraw/zinc/67/49/74/1282674974.db2.gz ZNZILJDUJTXIQS-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588724366 1282674984 /nfs/dbraw/zinc/67/49/84/1282674984.db2.gz ZNZILJDUJTXIQS-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588926628 1282730237 /nfs/dbraw/zinc/73/02/37/1282730237.db2.gz JOAGGXYYRGCAEM-RYUDHWBXSA-N -1 1 355.406 0.421 20 30 FCEDMM C[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970739 1282747278 /nfs/dbraw/zinc/74/72/78/1282747278.db2.gz OKEBJYKBZGBBEE-APPDUMDISA-N -1 1 363.385 0.587 20 30 FCEDMM C[C@H](C(=O)OCCCC1(C#N)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028892 1282777797 /nfs/dbraw/zinc/77/77/97/1282777797.db2.gz ZIDNUYFDCIZTFL-LLVKDONJSA-N -1 1 360.378 0.663 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589379815 1282854401 /nfs/dbraw/zinc/85/44/01/1282854401.db2.gz BOOXLZFXSVZYGM-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589379815 1282854412 /nfs/dbraw/zinc/85/44/12/1282854412.db2.gz BOOXLZFXSVZYGM-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589380391 1282858381 /nfs/dbraw/zinc/85/83/81/1282858381.db2.gz WFVITTYRQAVIGA-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589380391 1282858396 /nfs/dbraw/zinc/85/83/96/1282858396.db2.gz WFVITTYRQAVIGA-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001589384679 1282860082 /nfs/dbraw/zinc/86/00/82/1282860082.db2.gz NERNKMSNEYMMSO-HUUCEWRRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001589384679 1282860095 /nfs/dbraw/zinc/86/00/95/1282860095.db2.gz NERNKMSNEYMMSO-HUUCEWRRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001589384873 1282861492 /nfs/dbraw/zinc/86/14/92/1282861492.db2.gz RMHWKGMAMJOJBW-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001589384873 1282861498 /nfs/dbraw/zinc/86/14/98/1282861498.db2.gz RMHWKGMAMJOJBW-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001589386846 1282863511 /nfs/dbraw/zinc/86/35/11/1282863511.db2.gz CBPACVFADDBIGL-ZDUSSCGKSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001589386846 1282863517 /nfs/dbraw/zinc/86/35/17/1282863517.db2.gz CBPACVFADDBIGL-ZDUSSCGKSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385280 1282865427 /nfs/dbraw/zinc/86/54/27/1282865427.db2.gz YPVSWDSIQVSCTH-ZIAGYGMSSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001589388506 1282867711 /nfs/dbraw/zinc/86/77/11/1282867711.db2.gz YMMKNQNEGVHXRP-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001589388506 1282867722 /nfs/dbraw/zinc/86/77/22/1282867722.db2.gz YMMKNQNEGVHXRP-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001589390037 1282871491 /nfs/dbraw/zinc/87/14/91/1282871491.db2.gz YEEMNZNGXNZWSF-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C#CC1CC1 ZINC001589692344 1282948505 /nfs/dbraw/zinc/94/85/05/1282948505.db2.gz TYKPZRDTCGTCQC-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C#CC1CC1 ZINC001589692344 1282948520 /nfs/dbraw/zinc/94/85/20/1282948520.db2.gz TYKPZRDTCGTCQC-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)CSCC#N ZINC001589799348 1283013875 /nfs/dbraw/zinc/01/38/75/1283013875.db2.gz KYVNVTSSFYCZSI-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001589799348 1283013889 /nfs/dbraw/zinc/01/38/89/1283013889.db2.gz KYVNVTSSFYCZSI-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)CSCC#N ZINC001589799166 1283014748 /nfs/dbraw/zinc/01/47/48/1283014748.db2.gz FPDBZDIICHMWEY-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)CSCC#N ZINC001589799166 1283014761 /nfs/dbraw/zinc/01/47/61/1283014761.db2.gz FPDBZDIICHMWEY-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](CN(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[n-]n1 ZINC001589836465 1283074488 /nfs/dbraw/zinc/07/44/88/1283074488.db2.gz NXZATNWLSHHKMA-ZWNOBZJWSA-N -1 1 366.389 0.324 20 30 FCEDMM CCOC(=O)[C@@]1(CCn2c(C)nc(-c3nn[n-]n3)c2C#N)CCCC1=O ZINC001604367820 1287618600 /nfs/dbraw/zinc/61/86/00/1287618600.db2.gz UTDDNECQQHRADI-MRXNPFEDSA-N -1 1 357.374 0.936 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589913341 1283122881 /nfs/dbraw/zinc/12/28/81/1283122881.db2.gz LSMGZNHYGMDQIN-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589913341 1283122883 /nfs/dbraw/zinc/12/28/83/1283122883.db2.gz LSMGZNHYGMDQIN-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987158 1283156588 /nfs/dbraw/zinc/15/65/88/1283156588.db2.gz GUFJMICHOGKENH-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987158 1283156592 /nfs/dbraw/zinc/15/65/92/1283156592.db2.gz GUFJMICHOGKENH-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987159 1283156607 /nfs/dbraw/zinc/15/66/07/1283156607.db2.gz GUFJMICHOGKENH-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987159 1283156612 /nfs/dbraw/zinc/15/66/12/1283156612.db2.gz GUFJMICHOGKENH-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)C(=O)N[C@H]1C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590073509 1283203988 /nfs/dbraw/zinc/20/39/88/1283203988.db2.gz SIQJRXOWHZHAJQ-ZDUSSCGKSA-N -1 1 353.390 0.269 20 30 FCEDMM CC1(C)C(=O)N[C@H]1C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590073509 1283203996 /nfs/dbraw/zinc/20/39/96/1283203996.db2.gz SIQJRXOWHZHAJQ-ZDUSSCGKSA-N -1 1 353.390 0.269 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2ccc(C#N)nn2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590167081 1283260439 /nfs/dbraw/zinc/26/04/39/1283260439.db2.gz KGQXDPLQPVXBGH-WDEREUQCSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2ccc(C#N)nn2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590167081 1283260446 /nfs/dbraw/zinc/26/04/46/1283260446.db2.gz KGQXDPLQPVXBGH-WDEREUQCSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590196457 1283304256 /nfs/dbraw/zinc/30/42/56/1283304256.db2.gz IVQFEOXLBVIFCV-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CSCC#N ZINC001590208245 1283331037 /nfs/dbraw/zinc/33/10/37/1283331037.db2.gz CZWHMBYJMWYBNO-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CSCC#N ZINC001590208245 1283331049 /nfs/dbraw/zinc/33/10/49/1283331049.db2.gz CZWHMBYJMWYBNO-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590256512 1283379566 /nfs/dbraw/zinc/37/95/66/1283379566.db2.gz FXXVKMDLYVYYLX-JSGCOSHPSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590284701 1283413505 /nfs/dbraw/zinc/41/35/05/1283413505.db2.gz STNQISDLKUGVDR-VXGBXAGGSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590284701 1283413507 /nfs/dbraw/zinc/41/35/07/1283413507.db2.gz STNQISDLKUGVDR-VXGBXAGGSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590291244 1283421704 /nfs/dbraw/zinc/42/17/04/1283421704.db2.gz BATPQVUDSASYLX-GHMZBOCLSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590291244 1283421708 /nfs/dbraw/zinc/42/17/08/1283421708.db2.gz BATPQVUDSASYLX-GHMZBOCLSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@@H](C)N1CC#N ZINC001590313700 1283456449 /nfs/dbraw/zinc/45/64/49/1283456449.db2.gz PQHSITJNZXAKTQ-NXEZZACHSA-N -1 1 367.460 0.535 20 30 FCEDMM C[C@@H]1CN(c2cncc(C#N)n2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590317085 1283460850 /nfs/dbraw/zinc/46/08/50/1283460850.db2.gz TZKZBTHILLXWSN-LLVKDONJSA-N -1 1 363.389 0.281 20 30 FCEDMM C[C@@H]1CN(c2cncc(C#N)n2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590317085 1283460858 /nfs/dbraw/zinc/46/08/58/1283460858.db2.gz TZKZBTHILLXWSN-LLVKDONJSA-N -1 1 363.389 0.281 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC001604547563 1287655036 /nfs/dbraw/zinc/65/50/36/1287655036.db2.gz PZLDVBSQGHREAW-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC001604547563 1287655045 /nfs/dbraw/zinc/65/50/45/1287655045.db2.gz PZLDVBSQGHREAW-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001590903627 1283955120 /nfs/dbraw/zinc/95/51/20/1283955120.db2.gz APWQWLHOILKUPA-ZDUSSCGKSA-N -1 1 366.429 0.670 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001590903627 1283955125 /nfs/dbraw/zinc/95/51/25/1283955125.db2.gz APWQWLHOILKUPA-ZDUSSCGKSA-N -1 1 366.429 0.670 20 30 FCEDMM CN(C(=O)CSCC#N)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001590984259 1284039421 /nfs/dbraw/zinc/03/94/21/1284039421.db2.gz IJONPPWORCZZAP-LBPRGKRZSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C(=O)CSCC#N)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001590984259 1284039433 /nfs/dbraw/zinc/03/94/33/1284039433.db2.gz IJONPPWORCZZAP-LBPRGKRZSA-N -1 1 373.446 0.562 20 30 FCEDMM CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001591038091 1284097708 /nfs/dbraw/zinc/09/77/08/1284097708.db2.gz KWFSOBXYXZIKQR-CYBMUJFWSA-N -1 1 368.806 0.823 20 30 FCEDMM CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001591038091 1284097713 /nfs/dbraw/zinc/09/77/13/1284097713.db2.gz KWFSOBXYXZIKQR-CYBMUJFWSA-N -1 1 368.806 0.823 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(C#N)cn1 ZINC001591090730 1284163010 /nfs/dbraw/zinc/16/30/10/1284163010.db2.gz ZPMMTRRKMOUCHG-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(C#N)cn1 ZINC001591090730 1284163020 /nfs/dbraw/zinc/16/30/20/1284163020.db2.gz ZPMMTRRKMOUCHG-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001591157977 1284231977 /nfs/dbraw/zinc/23/19/77/1284231977.db2.gz IIKMWOUIOZMLBA-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591159746 1284234565 /nfs/dbraw/zinc/23/45/65/1284234565.db2.gz CXKVGXNWXWTURM-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591159746 1284234574 /nfs/dbraw/zinc/23/45/74/1284234574.db2.gz CXKVGXNWXWTURM-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM COC(=O)c1cccc(C(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001591297591 1284450755 /nfs/dbraw/zinc/45/07/55/1284450755.db2.gz FZGWMETXJTWBFD-UHFFFAOYSA-N -1 1 351.326 0.913 20 30 FCEDMM COc1cc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)ccc1C#N ZINC001591528541 1284716285 /nfs/dbraw/zinc/71/62/85/1284716285.db2.gz SWJZNIFOGDWSBM-SECBINFHSA-N -1 1 353.346 0.216 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001591738251 1284864828 /nfs/dbraw/zinc/86/48/28/1284864828.db2.gz KBHXWQUKIXYKKH-GHMZBOCLSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001591738251 1284864842 /nfs/dbraw/zinc/86/48/42/1284864842.db2.gz KBHXWQUKIXYKKH-GHMZBOCLSA-N -1 1 373.446 0.420 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(F)c(C#N)c2)c(=O)n1C1CC1 ZINC001591795360 1284910608 /nfs/dbraw/zinc/91/06/08/1284910608.db2.gz OXDPOPITQOYEED-UHFFFAOYSA-N -1 1 367.344 0.893 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001591883014 1284973813 /nfs/dbraw/zinc/97/38/13/1284973813.db2.gz MDPZFPQPBUQIJW-GFCCVEGCSA-N -1 1 356.434 0.956 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001591883014 1284973820 /nfs/dbraw/zinc/97/38/20/1284973820.db2.gz MDPZFPQPBUQIJW-GFCCVEGCSA-N -1 1 356.434 0.956 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CNC(=O)C#CC2CC2)C(C)C)n1 ZINC001591891189 1284979942 /nfs/dbraw/zinc/97/99/42/1284979942.db2.gz NJSQVPCCXISFPN-CQSZACIVSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CNC(=O)C#CC2CC2)C(C)C)n1 ZINC001591891189 1284979951 /nfs/dbraw/zinc/97/99/51/1284979951.db2.gz NJSQVPCCXISFPN-CQSZACIVSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCOCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001591899758 1284992627 /nfs/dbraw/zinc/99/26/27/1284992627.db2.gz WCPWAVSTYQABPC-SNVBAGLBSA-N -1 1 359.394 0.012 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCOCCN(C)C(=O)[C@H](C)C#N)n1 ZINC001591899758 1284992632 /nfs/dbraw/zinc/99/26/32/1284992632.db2.gz WCPWAVSTYQABPC-SNVBAGLBSA-N -1 1 359.394 0.012 20 30 FCEDMM Cc1cc(C)n(N=Cc2cc3c(cc2O)OCO3)c(=O)c1-c1nn[n-]n1 ZINC001591955908 1285022135 /nfs/dbraw/zinc/02/21/35/1285022135.db2.gz LZEURDYJPKWXLU-UHFFFAOYSA-N -1 1 354.326 0.962 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC001592335201 1285244237 /nfs/dbraw/zinc/24/42/37/1285244237.db2.gz OTKFHNLYMSINGJ-GXSJLCMTSA-N -1 1 371.405 0.648 20 30 FCEDMM Cc1csc2nc(Cn3c(C)nc(-c4nn[n-]n4)c3C#N)cc(=O)n12 ZINC001592335779 1285244952 /nfs/dbraw/zinc/24/49/52/1285244952.db2.gz ZVYUKZQNWKFKHF-UHFFFAOYSA-N -1 1 353.371 0.669 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001604793760 1287783398 /nfs/dbraw/zinc/78/33/98/1287783398.db2.gz MNHVYRPYNFFOCB-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001604793760 1287783400 /nfs/dbraw/zinc/78/34/00/1287783400.db2.gz MNHVYRPYNFFOCB-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC001592499389 1285425898 /nfs/dbraw/zinc/42/58/98/1285425898.db2.gz MKEGDXLDJMVXSO-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC001592499389 1285425902 /nfs/dbraw/zinc/42/59/02/1285425902.db2.gz MKEGDXLDJMVXSO-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(NC(=O)CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001592509292 1285433964 /nfs/dbraw/zinc/43/39/64/1285433964.db2.gz BXNSNNNCKXVMDC-GHMZBOCLSA-N -1 1 372.433 0.933 20 30 FCEDMM Cn1c(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)nnc1N1CCC(C#N)CC1 ZINC001592545114 1285453560 /nfs/dbraw/zinc/45/35/60/1285453560.db2.gz SAVWAHJXNGGSRY-UHFFFAOYSA-N -1 1 352.362 0.503 20 30 FCEDMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592567635 1285481598 /nfs/dbraw/zinc/48/15/98/1285481598.db2.gz LKNWLVUBOVTKPY-AAEUAGOBSA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592567635 1285481604 /nfs/dbraw/zinc/48/16/04/1285481604.db2.gz LKNWLVUBOVTKPY-AAEUAGOBSA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592567733 1285482108 /nfs/dbraw/zinc/48/21/08/1285482108.db2.gz OQYYAASKYFQJEV-WCQYABFASA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1nc(C2CCOCC2)cc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592596544 1285529696 /nfs/dbraw/zinc/52/96/96/1285529696.db2.gz WHVXUHKOAFUCLH-UHFFFAOYSA-N -1 1 368.361 0.341 20 30 FCEDMM N#CCCN(C(=O)Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001592676957 1285570342 /nfs/dbraw/zinc/57/03/42/1285570342.db2.gz MFHQOEIIMNGXKN-UHFFFAOYSA-N -1 1 366.341 0.076 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679568 1285576137 /nfs/dbraw/zinc/57/61/37/1285576137.db2.gz UZBNQPWDXKXIPJ-WDEREUQCSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679568 1285576142 /nfs/dbraw/zinc/57/61/42/1285576142.db2.gz UZBNQPWDXKXIPJ-WDEREUQCSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592680782 1285578903 /nfs/dbraw/zinc/57/89/03/1285578903.db2.gz ZFRFSPGLGNOSSG-UHFFFAOYSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592680782 1285578910 /nfs/dbraw/zinc/57/89/10/1285578910.db2.gz ZFRFSPGLGNOSSG-UHFFFAOYSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679934 1285579232 /nfs/dbraw/zinc/57/92/32/1285579232.db2.gz BCPRSXDFALMNGX-SNVBAGLBSA-N -1 1 359.419 0.174 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679934 1285579236 /nfs/dbraw/zinc/57/92/36/1285579236.db2.gz BCPRSXDFALMNGX-SNVBAGLBSA-N -1 1 359.419 0.174 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001592695743 1285588932 /nfs/dbraw/zinc/58/89/32/1285588932.db2.gz IWVSJUPAQYGMIX-CYBMUJFWSA-N -1 1 362.353 0.822 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001592695743 1285588936 /nfs/dbraw/zinc/58/89/36/1285588936.db2.gz IWVSJUPAQYGMIX-CYBMUJFWSA-N -1 1 362.353 0.822 20 30 FCEDMM N#Cc1cccc(-c2nn[nH]n2)c1N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001592698214 1285589166 /nfs/dbraw/zinc/58/91/66/1285589166.db2.gz OSGVAWVOVPLHNE-UHFFFAOYSA-N -1 1 351.292 0.853 20 30 FCEDMM N#Cc1nc(NCCNC(=O)Cc2cccc(F)c2)cnc1-c1nnn[n-]1 ZINC001592707798 1285592466 /nfs/dbraw/zinc/59/24/66/1285592466.db2.gz CJMVBRMIWHBLKG-UHFFFAOYSA-N -1 1 367.348 0.438 20 30 FCEDMM N#Cc1nc(NCCNC(=O)Cc2cccc(F)c2)cnc1-c1nn[n-]n1 ZINC001592707798 1285592471 /nfs/dbraw/zinc/59/24/71/1285592471.db2.gz CJMVBRMIWHBLKG-UHFFFAOYSA-N -1 1 367.348 0.438 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)cnc1-c1nnn[n-]1 ZINC001592704375 1285592602 /nfs/dbraw/zinc/59/26/02/1285592602.db2.gz GHUZSRRJWINJLQ-LLVKDONJSA-N -1 1 353.390 0.271 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)cnc1-c1nn[n-]n1 ZINC001592704375 1285592608 /nfs/dbraw/zinc/59/26/08/1285592608.db2.gz GHUZSRRJWINJLQ-LLVKDONJSA-N -1 1 353.390 0.271 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592766634 1285687720 /nfs/dbraw/zinc/68/77/20/1285687720.db2.gz PMUGJEBFPHQZLQ-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592766634 1285687729 /nfs/dbraw/zinc/68/77/29/1285687729.db2.gz PMUGJEBFPHQZLQ-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592766885 1285687950 /nfs/dbraw/zinc/68/79/50/1285687950.db2.gz VFTNVKNDKSXXHA-HIFRSBDPSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592766885 1285687960 /nfs/dbraw/zinc/68/79/60/1285687960.db2.gz VFTNVKNDKSXXHA-HIFRSBDPSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592768260 1285691806 /nfs/dbraw/zinc/69/18/06/1285691806.db2.gz GJBJLSRDCOOUIZ-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592768260 1285691812 /nfs/dbraw/zinc/69/18/12/1285691812.db2.gz GJBJLSRDCOOUIZ-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592768677 1285692301 /nfs/dbraw/zinc/69/23/01/1285692301.db2.gz ORRSXRFBKJOKGA-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592768677 1285692311 /nfs/dbraw/zinc/69/23/11/1285692311.db2.gz ORRSXRFBKJOKGA-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001592768632 1285692870 /nfs/dbraw/zinc/69/28/70/1285692870.db2.gz NFUUCCLYMHOOLF-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001592768632 1285692879 /nfs/dbraw/zinc/69/28/79/1285692879.db2.gz NFUUCCLYMHOOLF-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592768676 1285693678 /nfs/dbraw/zinc/69/36/78/1285693678.db2.gz ORRSXRFBKJOKGA-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592768676 1285693680 /nfs/dbraw/zinc/69/36/80/1285693680.db2.gz ORRSXRFBKJOKGA-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM CN1C(=O)CCc2cc(C(=O)Cn3cnc(C#N)c3-c3nn[n-]n3)ccc21 ZINC001609282289 1289043921 /nfs/dbraw/zinc/04/39/21/1289043921.db2.gz PEBRJXUHTXCPJI-UHFFFAOYSA-N -1 1 362.353 0.727 20 30 FCEDMM N#CCc1ccccc1CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001601078684 1286629547 /nfs/dbraw/zinc/62/95/47/1286629547.db2.gz VXHIMNARXKVSIA-LJQANCHMSA-N -1 1 357.410 0.683 20 30 FCEDMM O=C([O-])[C@]1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001601304883 1286717720 /nfs/dbraw/zinc/71/77/20/1286717720.db2.gz XHAZTAHFDIOBJP-INIZCTEOSA-N -1 1 370.327 0.695 20 30 FCEDMM COc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C#N ZINC001609345363 1289112419 /nfs/dbraw/zinc/11/24/19/1289112419.db2.gz FXPPBQYBRORLIN-UHFFFAOYSA-N -1 1 371.382 0.620 20 30 FCEDMM COc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C#N ZINC001609345363 1289112423 /nfs/dbraw/zinc/11/24/23/1289112423.db2.gz FXPPBQYBRORLIN-UHFFFAOYSA-N -1 1 371.382 0.620 20 30 FCEDMM COc1ccc(-c2nnc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)o2)cc1 ZINC001609349498 1289112864 /nfs/dbraw/zinc/11/28/64/1289112864.db2.gz NXZQHMNZZQOEPN-UHFFFAOYSA-N -1 1 364.329 0.624 20 30 FCEDMM C#C[C@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2CC=C)C1 ZINC001602696185 1287060146 /nfs/dbraw/zinc/06/01/46/1287060146.db2.gz DRKVZJFOSSQTCZ-NSHDSACASA-N -1 1 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0.360 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573290040 946897678 /nfs/dbraw/zinc/89/76/78/946897678.db2.gz TWIUVUOWLJGTDY-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573290040 946897687 /nfs/dbraw/zinc/89/76/87/946897687.db2.gz TWIUVUOWLJGTDY-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573290728 946910219 /nfs/dbraw/zinc/91/02/19/946910219.db2.gz OHSPTLAXJQHCLP-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573290728 946910233 /nfs/dbraw/zinc/91/02/33/946910233.db2.gz OHSPTLAXJQHCLP-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573560736 946955649 /nfs/dbraw/zinc/95/56/49/946955649.db2.gz FPHUICJGTCPAEM-VOMCLLRMSA-N -1 1 355.406 0.420 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565681 947012865 /nfs/dbraw/zinc/01/28/65/947012865.db2.gz UJTJDFLGWJJFDB-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565681 947012874 /nfs/dbraw/zinc/01/28/74/947012874.db2.gz UJTJDFLGWJJFDB-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573567523 947047208 /nfs/dbraw/zinc/04/72/08/947047208.db2.gz NYMDSSYYAXBOGB-WOPDTQHZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573569724 947075321 /nfs/dbraw/zinc/07/53/21/947075321.db2.gz FBIJAZWIGUBDEM-QJPTWQEYSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573569724 947075328 /nfs/dbraw/zinc/07/53/28/947075328.db2.gz FBIJAZWIGUBDEM-QJPTWQEYSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573570027 947081544 /nfs/dbraw/zinc/08/15/44/947081544.db2.gz IOSPXCKULPCHMI-QJPTWQEYSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573570027 947081557 /nfs/dbraw/zinc/08/15/57/947081557.db2.gz IOSPXCKULPCHMI-QJPTWQEYSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573571020 947096929 /nfs/dbraw/zinc/09/69/29/947096929.db2.gz WXYWJKLPKUVHFG-LQAWEQHXSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573571073 947098507 /nfs/dbraw/zinc/09/85/07/947098507.db2.gz YRSUMZWAZGCANY-PRXAMGSTSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573571073 947098522 /nfs/dbraw/zinc/09/85/22/947098522.db2.gz YRSUMZWAZGCANY-PRXAMGSTSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573571797 947104141 /nfs/dbraw/zinc/10/41/41/947104141.db2.gz BAJBJTQHRQJVHZ-QWRGUYRKSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573571797 947104148 /nfs/dbraw/zinc/10/41/48/947104148.db2.gz BAJBJTQHRQJVHZ-QWRGUYRKSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573573810 947126211 /nfs/dbraw/zinc/12/62/11/947126211.db2.gz PNIOKFPJQRQJOZ-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573573810 947126217 /nfs/dbraw/zinc/12/62/17/947126217.db2.gz PNIOKFPJQRQJOZ-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001573573973 947126397 /nfs/dbraw/zinc/12/63/97/947126397.db2.gz QCRUCPFCKLNJKL-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001573573973 947126405 /nfs/dbraw/zinc/12/64/05/947126405.db2.gz QCRUCPFCKLNJKL-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001573573972 947127219 /nfs/dbraw/zinc/12/72/19/947127219.db2.gz QCRUCPFCKLNJKL-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001573573972 947127226 /nfs/dbraw/zinc/12/72/26/947127226.db2.gz QCRUCPFCKLNJKL-LLVKDONJSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573575031 947134155 /nfs/dbraw/zinc/13/41/55/947134155.db2.gz VMZPVLMPZHMHNT-CMPLNLGQSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573575031 947134165 /nfs/dbraw/zinc/13/41/65/947134165.db2.gz VMZPVLMPZHMHNT-CMPLNLGQSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573575397 947138726 /nfs/dbraw/zinc/13/87/26/947138726.db2.gz YKQLMMIVPGSKHN-PWSUYJOCSA-N -1 1 355.406 0.325 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573304598 947141400 /nfs/dbraw/zinc/14/14/00/947141400.db2.gz CTVDZKAGLVTYKJ-UHFFFAOYSA-N -1 1 371.449 0.107 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573304598 947141405 /nfs/dbraw/zinc/14/14/05/947141405.db2.gz CTVDZKAGLVTYKJ-UHFFFAOYSA-N -1 1 371.449 0.107 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573576282 947151376 /nfs/dbraw/zinc/15/13/76/947151376.db2.gz GINGPELPRFRGPR-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573576842 947157904 /nfs/dbraw/zinc/15/79/04/947157904.db2.gz KGXMEHDFYWETRY-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573576842 947157910 /nfs/dbraw/zinc/15/79/10/947157910.db2.gz KGXMEHDFYWETRY-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573577241 947164024 /nfs/dbraw/zinc/16/40/24/947164024.db2.gz OAASKDCZBXSABY-ZBEGNZNMSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573577241 947164032 /nfs/dbraw/zinc/16/40/32/947164032.db2.gz OAASKDCZBXSABY-ZBEGNZNMSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573577899 947175668 /nfs/dbraw/zinc/17/56/68/947175668.db2.gz UXCPTOAUTVSCIW-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573577899 947175672 /nfs/dbraw/zinc/17/56/72/947175672.db2.gz UXCPTOAUTVSCIW-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573309359 947198008 /nfs/dbraw/zinc/19/80/08/947198008.db2.gz HLQUMKCJODXNKA-QFYYESIMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573309359 947198018 /nfs/dbraw/zinc/19/80/18/947198018.db2.gz HLQUMKCJODXNKA-QFYYESIMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573309357 947198690 /nfs/dbraw/zinc/19/86/90/947198690.db2.gz HLQUMKCJODXNKA-HWPZZCPQSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573309357 947198698 /nfs/dbraw/zinc/19/86/98/947198698.db2.gz HLQUMKCJODXNKA-HWPZZCPQSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573309561 947202729 /nfs/dbraw/zinc/20/27/29/947202729.db2.gz KQQOSDBINIFICM-PRXAMGSTSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573309561 947202740 /nfs/dbraw/zinc/20/27/40/947202740.db2.gz KQQOSDBINIFICM-PRXAMGSTSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573309888 947213700 /nfs/dbraw/zinc/21/37/00/947213700.db2.gz PLYLYBGWFPAWIP-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573309888 947213712 /nfs/dbraw/zinc/21/37/12/947213712.db2.gz PLYLYBGWFPAWIP-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310237 947218843 /nfs/dbraw/zinc/21/88/43/947218843.db2.gz VOFHZTQCWVGXCB-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310237 947218851 /nfs/dbraw/zinc/21/88/51/947218851.db2.gz VOFHZTQCWVGXCB-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573310740 947226005 /nfs/dbraw/zinc/22/60/05/947226005.db2.gz ZITWPBBMPZIQHC-APPDUMDISA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573310740 947226022 /nfs/dbraw/zinc/22/60/22/947226022.db2.gz ZITWPBBMPZIQHC-APPDUMDISA-N -1 1 372.433 0.315 20 30 FCEDMM CCOC(=O)c1cnn(CC(=O)N[C@](C)(C#N)C2CC2)c1-c1nn[n-]n1 ZINC000825565753 947227410 /nfs/dbraw/zinc/22/74/10/947227410.db2.gz YCYRWTTWZSULJL-OAHLLOKOSA-N -1 1 358.362 0.048 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573314635 947234671 /nfs/dbraw/zinc/23/46/71/947234671.db2.gz DQZZGXOFCAEGSI-CHWSQXEVSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573314903 947237455 /nfs/dbraw/zinc/23/74/55/947237455.db2.gz HTUGXSKPUIQQNM-NEPJUHHUSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573314903 947237464 /nfs/dbraw/zinc/23/74/64/947237464.db2.gz HTUGXSKPUIQQNM-NEPJUHHUSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573314904 947241059 /nfs/dbraw/zinc/24/10/59/947241059.db2.gz HTUGXSKPUIQQNM-NWDGAFQWSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573314904 947241072 /nfs/dbraw/zinc/24/10/72/947241072.db2.gz HTUGXSKPUIQQNM-NWDGAFQWSA-N -1 1 360.422 0.456 20 30 FCEDMM C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573585575 947262381 /nfs/dbraw/zinc/26/23/81/947262381.db2.gz SLDWENSETMRHRM-WDEREUQCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573585575 947262387 /nfs/dbraw/zinc/26/23/87/947262387.db2.gz SLDWENSETMRHRM-WDEREUQCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573585665 947265068 /nfs/dbraw/zinc/26/50/68/947265068.db2.gz UNXVBAGJENOPKT-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573585665 947265084 /nfs/dbraw/zinc/26/50/84/947265084.db2.gz UNXVBAGJENOPKT-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573325306 947357879 /nfs/dbraw/zinc/35/78/79/947357879.db2.gz ALODIHWHPNBIIP-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573325306 947357891 /nfs/dbraw/zinc/35/78/91/947357891.db2.gz ALODIHWHPNBIIP-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573328907 947414456 /nfs/dbraw/zinc/41/44/56/947414456.db2.gz DNNMKMMMFVSBEJ-AAEUAGOBSA-N -1 1 373.417 0.770 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573335591 947483627 /nfs/dbraw/zinc/48/36/27/947483627.db2.gz AWUWVUVPVJMPAL-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573335930 947492430 /nfs/dbraw/zinc/49/24/30/947492430.db2.gz FZIUHBLVQZXTDT-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573335930 947492440 /nfs/dbraw/zinc/49/24/40/947492440.db2.gz FZIUHBLVQZXTDT-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573336152 947501504 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PMGQHMXMEBQGRD-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574629232 1271427950 /nfs/dbraw/zinc/42/79/50/1271427950.db2.gz PMGQHMXMEBQGRD-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580652826 1278636597 /nfs/dbraw/zinc/63/65/97/1278636597.db2.gz NSBLNRCAUCOOMN-CMPLNLGQSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580652826 1278636613 /nfs/dbraw/zinc/63/66/13/1278636613.db2.gz NSBLNRCAUCOOMN-CMPLNLGQSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001580674876 1278695720 /nfs/dbraw/zinc/69/57/20/1278695720.db2.gz MSWNVETUNKRQAQ-RTXFEEFZSA-N -1 1 367.417 0.410 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001580674876 1278695729 /nfs/dbraw/zinc/69/57/29/1278695729.db2.gz MSWNVETUNKRQAQ-RTXFEEFZSA-N -1 1 367.417 0.410 20 30 FCEDMM C[C@]1([C@H]2CCCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)COC(=O)N1 ZINC001575752379 1272416468 /nfs/dbraw/zinc/41/64/68/1272416468.db2.gz GHVYWZFUPPQRBH-BJOHPYRUSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1([C@H]2CCCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)COC(=O)N1 ZINC001575752379 1272416470 /nfs/dbraw/zinc/41/64/70/1272416470.db2.gz GHVYWZFUPPQRBH-BJOHPYRUSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C#CC2CC2)C1 ZINC001575797884 1272448381 /nfs/dbraw/zinc/44/83/81/1272448381.db2.gz ZSXHHTVQHUKGNC-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C#CC2CC2)C1 ZINC001575797884 1272448384 /nfs/dbraw/zinc/44/83/84/1272448384.db2.gz ZSXHHTVQHUKGNC-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580691202 1278727107 /nfs/dbraw/zinc/72/71/07/1278727107.db2.gz GMQIECNLKNHSNN-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580691202 1278727116 /nfs/dbraw/zinc/72/71/16/1278727116.db2.gz GMQIECNLKNHSNN-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580694454 1278734477 /nfs/dbraw/zinc/73/44/77/1278734477.db2.gz JCBXWOXQCXJYQO-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580694454 1278734484 /nfs/dbraw/zinc/73/44/84/1278734484.db2.gz JCBXWOXQCXJYQO-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576291225 1273102749 /nfs/dbraw/zinc/10/27/49/1273102749.db2.gz KHKDHXHUIPNPBG-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576291225 1273102751 /nfs/dbraw/zinc/10/27/51/1273102751.db2.gz KHKDHXHUIPNPBG-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576297601 1273110931 /nfs/dbraw/zinc/11/09/31/1273110931.db2.gz PDBKTJFANDANDT-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576297601 1273110934 /nfs/dbraw/zinc/11/09/34/1273110934.db2.gz PDBKTJFANDANDT-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576311119 1273125833 /nfs/dbraw/zinc/12/58/33/1273125833.db2.gz CDRBMDNRLNXBIX-JOYOIKCWSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576311119 1273125837 /nfs/dbraw/zinc/12/58/37/1273125837.db2.gz CDRBMDNRLNXBIX-JOYOIKCWSA-N -1 1 364.373 0.429 20 30 FCEDMM CCC(CC)C(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001576726847 1273595794 /nfs/dbraw/zinc/59/57/94/1273595794.db2.gz UIXKUAGWEPWJGI-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580721511 1278799439 /nfs/dbraw/zinc/79/94/39/1278799439.db2.gz BWWAPADJWTVKCV-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580721511 1278799445 /nfs/dbraw/zinc/79/94/45/1278799445.db2.gz BWWAPADJWTVKCV-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001576861488 1273823734 /nfs/dbraw/zinc/82/37/34/1273823734.db2.gz DLKIBFJNIQZUPJ-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001576861488 1273823744 /nfs/dbraw/zinc/82/37/44/1273823744.db2.gz DLKIBFJNIQZUPJ-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580748572 1278859364 /nfs/dbraw/zinc/85/93/64/1278859364.db2.gz GDSWFGVZCBZZEK-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580748572 1278859371 /nfs/dbraw/zinc/85/93/71/1278859371.db2.gz GDSWFGVZCBZZEK-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577522731 1274469346 /nfs/dbraw/zinc/46/93/46/1274469346.db2.gz HYQNAQDEWNDFCN-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577522731 1274469352 /nfs/dbraw/zinc/46/93/52/1274469352.db2.gz HYQNAQDEWNDFCN-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577873980 1275065898 /nfs/dbraw/zinc/06/58/98/1275065898.db2.gz DSECOGPZIREKLI-SECBINFHSA-N -1 1 355.449 0.744 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[n-]n2)n1 ZINC001578061342 1275356521 /nfs/dbraw/zinc/35/65/21/1275356521.db2.gz AISLHKXJONRJAA-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001578583804 1276016248 /nfs/dbraw/zinc/01/62/48/1276016248.db2.gz HVNTUQVBYOQXFB-GHMZBOCLSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001578583804 1276016249 /nfs/dbraw/zinc/01/62/49/1276016249.db2.gz HVNTUQVBYOQXFB-GHMZBOCLSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001578588677 1276020885 /nfs/dbraw/zinc/02/08/85/1276020885.db2.gz JMYUIECEKFRSPF-GHMZBOCLSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001578588677 1276020891 /nfs/dbraw/zinc/02/08/91/1276020891.db2.gz JMYUIECEKFRSPF-GHMZBOCLSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(NC2CCN(C(=O)[C@H](C)C#N)CC2)cc(-c2nnn[n-]2)n1 ZINC001578642870 1276091848 /nfs/dbraw/zinc/09/18/48/1276091848.db2.gz UKGOGOQYAPRLEX-SNVBAGLBSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC2CCN(C(=O)[C@H](C)C#N)CC2)cc(-c2nn[n-]n2)n1 ZINC001578642870 1276091855 /nfs/dbraw/zinc/09/18/55/1276091855.db2.gz UKGOGOQYAPRLEX-SNVBAGLBSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578661904 1276114104 /nfs/dbraw/zinc/11/41/04/1276114104.db2.gz VYTZJKOLTNVCDN-UHFFFAOYSA-N -1 1 366.389 0.603 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578661904 1276114106 /nfs/dbraw/zinc/11/41/06/1276114106.db2.gz VYTZJKOLTNVCDN-UHFFFAOYSA-N -1 1 366.389 0.603 20 30 FCEDMM CCN1C(=O)N=NC1C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001578736100 1276213652 /nfs/dbraw/zinc/21/36/52/1276213652.db2.gz PVBBAIKUJJRVJO-UHFFFAOYSA-N -1 1 367.377 0.229 20 30 FCEDMM CCN1C(=O)N=NC1C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001578736100 1276213655 /nfs/dbraw/zinc/21/36/55/1276213655.db2.gz PVBBAIKUJJRVJO-UHFFFAOYSA-N -1 1 367.377 0.229 20 30 FCEDMM CN(C)c1ncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1Cl ZINC001579001333 1276571907 /nfs/dbraw/zinc/57/19/07/1276571907.db2.gz PDDRKWFRENFKHJ-UHFFFAOYSA-N -1 1 358.753 0.828 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001579286392 1277108635 /nfs/dbraw/zinc/10/86/35/1277108635.db2.gz HLSNQZWOSWYSNW-QMMMGPOBSA-N -1 1 367.295 0.128 20 30 FCEDMM COC(=O)c1nc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)ccc1Cl ZINC001579491614 1277404243 /nfs/dbraw/zinc/40/42/43/1277404243.db2.gz LNBWYNYFDKIBTB-UHFFFAOYSA-N -1 1 371.748 0.975 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189967 1287327016 /nfs/dbraw/zinc/32/70/16/1287327016.db2.gz SQUTVLFHQROXLU-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189967 1287327020 /nfs/dbraw/zinc/32/70/20/1287327020.db2.gz SQUTVLFHQROXLU-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001603189534 1287327108 /nfs/dbraw/zinc/32/71/08/1287327108.db2.gz OEXGPXPZRMKSQC-GFCCVEGCSA-N -1 1 354.418 0.387 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001603189570 1287327173 /nfs/dbraw/zinc/32/71/73/1287327173.db2.gz PBACXZRFMWDPSB-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001603189570 1287327175 /nfs/dbraw/zinc/32/71/75/1287327175.db2.gz PBACXZRFMWDPSB-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)COC(=O)N1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001603298071 1287349267 /nfs/dbraw/zinc/34/92/67/1287349267.db2.gz MFCNGMDMENJKPM-UHFFFAOYSA-N -1 1 371.405 0.833 20 30 FCEDMM Cc1cccc(C)c1OC[C@H](O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581235215 1279521096 /nfs/dbraw/zinc/52/10/96/1279521096.db2.gz UHYUKFSIAISTMW-GFCCVEGCSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1cccc(C)c1OC[C@H](O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581235215 1279521103 /nfs/dbraw/zinc/52/11/03/1279521103.db2.gz UHYUKFSIAISTMW-GFCCVEGCSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1cccc(OC[C@@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581246783 1279523651 /nfs/dbraw/zinc/52/36/51/1279523651.db2.gz IWTCHYOSEPRFSC-NSHDSACASA-N -1 1 352.358 0.689 20 30 FCEDMM Cc1cccc(OC[C@@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581246783 1279523659 /nfs/dbraw/zinc/52/36/59/1279523659.db2.gz IWTCHYOSEPRFSC-NSHDSACASA-N -1 1 352.358 0.689 20 30 FCEDMM Cc1cnc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)s1 ZINC001581321060 1279687160 /nfs/dbraw/zinc/68/71/60/1279687160.db2.gz QVKIRTRDFNNYPS-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1cnc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)s1 ZINC001581321060 1279687167 /nfs/dbraw/zinc/68/71/67/1279687167.db2.gz QVKIRTRDFNNYPS-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nc(NC(=O)c2coc(-c3nnn[n-]3)c2)n(-c2ccc(C#N)cc2)n1 ZINC001581489840 1280036597 /nfs/dbraw/zinc/03/65/97/1280036597.db2.gz QBZMWUYZFMDYJY-UHFFFAOYSA-N -1 1 361.325 0.895 20 30 FCEDMM Cc1nc(NC(=O)c2coc(-c3nn[n-]n3)c2)n(-c2ccc(C#N)cc2)n1 ZINC001581489840 1280036602 /nfs/dbraw/zinc/03/66/02/1280036602.db2.gz QBZMWUYZFMDYJY-UHFFFAOYSA-N -1 1 361.325 0.895 20 30 FCEDMM Cc1nsc(N2CC[C@@H](CNC(=O)C#CC3CC3)C2)c1-c1nn[n-]n1 ZINC001581670386 1280379321 /nfs/dbraw/zinc/37/93/21/1280379321.db2.gz GWYUASHVHOLAQF-LBPRGKRZSA-N -1 1 357.443 0.988 20 30 FCEDMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C#CC1CC1)C1CC1 ZINC001603555001 1287421765 /nfs/dbraw/zinc/42/17/65/1287421765.db2.gz NOOVDPIQUJYVEJ-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C#CC1CC1)C1CC1 ZINC001603555001 1287421773 /nfs/dbraw/zinc/42/17/73/1287421773.db2.gz NOOVDPIQUJYVEJ-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM N#CCc1ccc(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001581859443 1280611133 /nfs/dbraw/zinc/61/11/33/1280611133.db2.gz ICZQIJSUBLGTBX-UHFFFAOYSA-N -1 1 369.410 0.947 20 30 FCEDMM N#CCc1ccc(CS(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001581859443 1280611139 /nfs/dbraw/zinc/61/11/39/1280611139.db2.gz ICZQIJSUBLGTBX-UHFFFAOYSA-N -1 1 369.410 0.947 20 30 FCEDMM N#C[C@@]12CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001581859675 1280611313 /nfs/dbraw/zinc/61/13/13/1280611313.db2.gz PDFMHXUMDXRRLK-SDBXPKJASA-N -1 1 365.806 0.290 20 30 FCEDMM N#C[C@@]12CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@H]1CS(=O)(=O)C2 ZINC001581859675 1280611318 /nfs/dbraw/zinc/61/13/18/1280611318.db2.gz PDFMHXUMDXRRLK-SDBXPKJASA-N -1 1 365.806 0.290 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@]2(O)CCc3ccccc3C2)nc1-c1nn[nH]n1 ZINC001581860376 1280613945 /nfs/dbraw/zinc/61/39/45/1280613945.db2.gz XPDZHGQLWMVILF-INIZCTEOSA-N -1 1 350.342 0.320 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001581863448 1280616104 /nfs/dbraw/zinc/61/61/04/1280616104.db2.gz PLGKWYDUKKSVND-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001581863448 1280616112 /nfs/dbraw/zinc/61/61/12/1280616112.db2.gz PLGKWYDUKKSVND-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581865008 1280618099 /nfs/dbraw/zinc/61/80/99/1280618099.db2.gz ALGBLFHXCITPJE-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581865008 1280618109 /nfs/dbraw/zinc/61/81/09/1280618109.db2.gz ALGBLFHXCITPJE-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)c[nH]1 ZINC001581865356 1280618229 /nfs/dbraw/zinc/61/82/29/1280618229.db2.gz IOYVRBMCYQCNHH-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)c[nH]1 ZINC001581865356 1280618233 /nfs/dbraw/zinc/61/82/33/1280618233.db2.gz IOYVRBMCYQCNHH-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581865200 1280619081 /nfs/dbraw/zinc/61/90/81/1280619081.db2.gz FOLYVSGEMIYANE-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581865200 1280619086 /nfs/dbraw/zinc/61/90/86/1280619086.db2.gz FOLYVSGEMIYANE-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)[nH]1 ZINC001581867285 1280623142 /nfs/dbraw/zinc/62/31/42/1280623142.db2.gz BNKUDNKRFBUBCD-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)[nH]1 ZINC001581867285 1280623149 /nfs/dbraw/zinc/62/31/49/1280623149.db2.gz BNKUDNKRFBUBCD-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)[nH]1 ZINC001581867795 1280624047 /nfs/dbraw/zinc/62/40/47/1280624047.db2.gz WBQQLOUTHSVUKJ-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)[nH]1 ZINC001581867795 1280624055 /nfs/dbraw/zinc/62/40/55/1280624055.db2.gz WBQQLOUTHSVUKJ-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cn1 ZINC001581869017 1280624858 /nfs/dbraw/zinc/62/48/58/1280624858.db2.gz DNPODEVORFJHDR-UHFFFAOYSA-N -1 1 362.353 0.782 20 30 FCEDMM N#Cc1nc(N2CC[C@@]3(C2)c2ccccc2NC3=O)cnc1-c1nnn[n-]1 ZINC001581879278 1280636674 /nfs/dbraw/zinc/63/66/74/1280636674.db2.gz FALUUBQUMIFVLN-QGZVFWFLSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1nc(N2CC[C@@]3(C2)c2ccccc2NC3=O)cnc1-c1nn[n-]n1 ZINC001581879278 1280636680 /nfs/dbraw/zinc/63/66/80/1280636680.db2.gz FALUUBQUMIFVLN-QGZVFWFLSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1nc(NC[C@@H](n2cncn2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880144 1280639178 /nfs/dbraw/zinc/63/91/78/1280639178.db2.gz AOBXCGIPGQVRCZ-SSDOTTSWSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1nc(NC[C@@H](n2cncn2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880144 1280639192 /nfs/dbraw/zinc/63/91/92/1280639192.db2.gz AOBXCGIPGQVRCZ-SSDOTTSWSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCN(CC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581880700 1280639870 /nfs/dbraw/zinc/63/98/70/1280639870.db2.gz SIFGWJTXIKZCTJ-MRVPVSSYSA-N -1 1 353.312 0.824 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCN(CC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581880700 1280639877 /nfs/dbraw/zinc/63/98/77/1280639877.db2.gz SIFGWJTXIKZCTJ-MRVPVSSYSA-N -1 1 353.312 0.824 20 30 FCEDMM N#Cc1ncc(N2CCC(C#N)(c3ccccn3)CC2)nc1-c1nn[n-]n1 ZINC001581881905 1280642457 /nfs/dbraw/zinc/64/24/57/1280642457.db2.gz DVRGGRCPVPIVLV-UHFFFAOYSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCCN(CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581883184 1280647606 /nfs/dbraw/zinc/64/76/06/1280647606.db2.gz QUXBAEMYSRJKGX-MRVPVSSYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1ncc(NCc2cccnc2N2CCOCC2)nc1-c1nn[n-]n1 ZINC001581884103 1280649276 /nfs/dbraw/zinc/64/92/76/1280649276.db2.gz KSCDJLJZWCBKTN-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)nc1-c1nn[n-]n1 ZINC001581884167 1280650124 /nfs/dbraw/zinc/65/01/24/1280650124.db2.gz NKPYKXIXNFYNMZ-OTYXRUKQSA-N -1 1 351.330 0.571 20 30 FCEDMM N#Cc1ncc(NC[C@@H]2CCC3(CCOCC3)CO2)nc1-c1nn[n-]n1 ZINC001581884099 1280650543 /nfs/dbraw/zinc/65/05/43/1280650543.db2.gz KQQPKNHCCYSCNG-NSHDSACASA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1ncc(NCCS(=O)(=O)Cc2ccccc2)nc1-c1nn[n-]n1 ZINC001581884180 1280650957 /nfs/dbraw/zinc/65/09/57/1280650957.db2.gz NZIDOFQWUTYLOL-UHFFFAOYSA-N -1 1 370.398 0.555 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581912544 1280714601 /nfs/dbraw/zinc/71/46/01/1280714601.db2.gz PKPYENOZGLCGKP-RDTXWAMCSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581912544 1280714607 /nfs/dbraw/zinc/71/46/07/1280714607.db2.gz PKPYENOZGLCGKP-RDTXWAMCSA-N -1 1 364.413 0.688 20 30 FCEDMM C#C[C@H](CC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588326067 1282418265 /nfs/dbraw/zinc/41/82/65/1282418265.db2.gz DBEWLTNNVAYZCX-VXGBXAGGSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@H](CC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588326067 1282418267 /nfs/dbraw/zinc/41/82/67/1282418267.db2.gz DBEWLTNNVAYZCX-VXGBXAGGSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)(C)C ZINC001588327564 1282420406 /nfs/dbraw/zinc/42/04/06/1282420406.db2.gz LTOADDRCLHDATG-LLVKDONJSA-N -1 1 372.433 0.921 20 30 FCEDMM C#C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)(C)C ZINC001588327564 1282420409 /nfs/dbraw/zinc/42/04/09/1282420409.db2.gz LTOADDRCLHDATG-LLVKDONJSA-N -1 1 372.433 0.921 20 30 FCEDMM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC001588330051 1282422008 /nfs/dbraw/zinc/42/20/08/1282422008.db2.gz UCLDYHQHUBCBNX-QWRGUYRKSA-N -1 1 360.399 0.600 20 30 FCEDMM C#CC1CCN(c2nnc(Cn3cnc(-c4nn[n-]n4)n3)n2CC=C)CC1 ZINC001588331462 1282422831 /nfs/dbraw/zinc/42/28/31/1282422831.db2.gz SPVCWFKTFVVJAW-UHFFFAOYSA-N -1 1 365.405 0.134 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588336679 1282429435 /nfs/dbraw/zinc/42/94/35/1282429435.db2.gz RWCGKJQBVIWUEC-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588336679 1282429440 /nfs/dbraw/zinc/42/94/40/1282429440.db2.gz RWCGKJQBVIWUEC-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338584 1282432062 /nfs/dbraw/zinc/43/20/62/1282432062.db2.gz FLNVUFGUCSKTKP-OCCSQVGLSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338584 1282432068 /nfs/dbraw/zinc/43/20/68/1282432068.db2.gz FLNVUFGUCSKTKP-OCCSQVGLSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588339388 1282434575 /nfs/dbraw/zinc/43/45/75/1282434575.db2.gz ZJFVBJWMRHIRKV-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588339388 1282434583 /nfs/dbraw/zinc/43/45/83/1282434583.db2.gz ZJFVBJWMRHIRKV-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588342255 1282438317 /nfs/dbraw/zinc/43/83/17/1282438317.db2.gz WNLHKBDSMXTDMF-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588342255 1282438324 /nfs/dbraw/zinc/43/83/24/1282438324.db2.gz WNLHKBDSMXTDMF-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588344321 1282440883 /nfs/dbraw/zinc/44/08/83/1282440883.db2.gz LTUNDVDEOLLOCV-ZDUSSCGKSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588344321 1282440891 /nfs/dbraw/zinc/44/08/91/1282440891.db2.gz LTUNDVDEOLLOCV-ZDUSSCGKSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588343044 1282441066 /nfs/dbraw/zinc/44/10/66/1282441066.db2.gz XFSLWYWPCZKQGG-GFCCVEGCSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588343044 1282441069 /nfs/dbraw/zinc/44/10/69/1282441069.db2.gz XFSLWYWPCZKQGG-GFCCVEGCSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCN(C1CSC1)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001588349578 1282443676 /nfs/dbraw/zinc/44/36/76/1282443676.db2.gz HYHLAROGUMVIDR-UHFFFAOYSA-N -1 1 355.470 0.809 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354826 1282448665 /nfs/dbraw/zinc/44/86/65/1282448665.db2.gz AJJVJWAVTFOFOF-YVEFUNNKSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354826 1282448669 /nfs/dbraw/zinc/44/86/69/1282448669.db2.gz AJJVJWAVTFOFOF-YVEFUNNKSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCNC(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588353230 1282450287 /nfs/dbraw/zinc/45/02/87/1282450287.db2.gz LGOQWSLQIXTRLV-LLVKDONJSA-N -1 1 372.385 0.198 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001588355363 1282453233 /nfs/dbraw/zinc/45/32/33/1282453233.db2.gz HFHSARDOMLEHPL-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001588355363 1282453237 /nfs/dbraw/zinc/45/32/37/1282453237.db2.gz HFHSARDOMLEHPL-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588355373 1282453722 /nfs/dbraw/zinc/45/37/22/1282453722.db2.gz HHMFWPWQTDTALB-MWLCHTKSSA-N -1 1 363.447 0.611 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588355372 1282453808 /nfs/dbraw/zinc/45/38/08/1282453808.db2.gz HHMFWPWQTDTALB-KOLCDFICSA-N -1 1 363.447 0.611 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588355673 1282455399 /nfs/dbraw/zinc/45/53/99/1282455399.db2.gz LEMABAMONQFZBG-MNOVXSKESA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588355673 1282455401 /nfs/dbraw/zinc/45/54/01/1282455401.db2.gz LEMABAMONQFZBG-MNOVXSKESA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356062 1282457101 /nfs/dbraw/zinc/45/71/01/1282457101.db2.gz SANNYNBHNZJQSQ-QWRGUYRKSA-N -1 1 361.431 0.365 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588356425 1282458765 /nfs/dbraw/zinc/45/87/65/1282458765.db2.gz XJEYCEBSLHPPFY-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588356387 1282459135 /nfs/dbraw/zinc/45/91/35/1282459135.db2.gz WWQPHBCVAGOMBQ-YPMHNXCESA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588356387 1282459142 /nfs/dbraw/zinc/45/91/42/1282459142.db2.gz WWQPHBCVAGOMBQ-YPMHNXCESA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356392 1282459780 /nfs/dbraw/zinc/45/97/80/1282459780.db2.gz WXDFYYVSXWKITI-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356392 1282459783 /nfs/dbraw/zinc/45/97/83/1282459783.db2.gz WXDFYYVSXWKITI-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356529 1282461482 /nfs/dbraw/zinc/46/14/82/1282461482.db2.gz CZJWYIWLNDXZGN-NWDGAFQWSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356529 1282461488 /nfs/dbraw/zinc/46/14/88/1282461488.db2.gz CZJWYIWLNDXZGN-NWDGAFQWSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356531 1282461556 /nfs/dbraw/zinc/46/15/56/1282461556.db2.gz CZJWYIWLNDXZGN-VXGBXAGGSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356531 1282461563 /nfs/dbraw/zinc/46/15/63/1282461563.db2.gz CZJWYIWLNDXZGN-VXGBXAGGSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588357045 1282463382 /nfs/dbraw/zinc/46/33/82/1282463382.db2.gz IWQIOXLUSBTKIC-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588357045 1282463384 /nfs/dbraw/zinc/46/33/84/1282463384.db2.gz IWQIOXLUSBTKIC-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588357530 1282464925 /nfs/dbraw/zinc/46/49/25/1282464925.db2.gz KNVNBOZQTPKRGS-GFCCVEGCSA-N -1 1 372.433 0.013 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588357606 1282467573 /nfs/dbraw/zinc/46/75/73/1282467573.db2.gz MBFVEKNWCKINCW-MRVPVSSYSA-N -1 1 369.838 0.885 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588358191 1282468581 /nfs/dbraw/zinc/46/85/81/1282468581.db2.gz VBRZGNGMXBLULA-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588358191 1282468593 /nfs/dbraw/zinc/46/85/93/1282468593.db2.gz VBRZGNGMXBLULA-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358469 1282468740 /nfs/dbraw/zinc/46/87/40/1282468740.db2.gz XPEXJMRCUKULBU-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358469 1282468747 /nfs/dbraw/zinc/46/87/47/1282468747.db2.gz XPEXJMRCUKULBU-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588358425 1282469258 /nfs/dbraw/zinc/46/92/58/1282469258.db2.gz XAPYPLYWHXPVNS-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588358425 1282469261 /nfs/dbraw/zinc/46/92/61/1282469261.db2.gz XAPYPLYWHXPVNS-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588358456 1282469325 /nfs/dbraw/zinc/46/93/25/1282469325.db2.gz SLMRFZDSGCVHED-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588358456 1282469332 /nfs/dbraw/zinc/46/93/32/1282469332.db2.gz SLMRFZDSGCVHED-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588358679 1282471000 /nfs/dbraw/zinc/47/10/00/1282471000.db2.gz ZOWMVHCBLVYDEF-UTUOFQBUSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588358679 1282471007 /nfs/dbraw/zinc/47/10/07/1282471007.db2.gz ZOWMVHCBLVYDEF-UTUOFQBUSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588358517 1282471564 /nfs/dbraw/zinc/47/15/64/1282471564.db2.gz YNEYNRHWRXYJQG-NSHDSACASA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588358517 1282471570 /nfs/dbraw/zinc/47/15/70/1282471570.db2.gz YNEYNRHWRXYJQG-NSHDSACASA-N -1 1 356.390 0.146 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588358998 1282472649 /nfs/dbraw/zinc/47/26/49/1282472649.db2.gz FVMHDCTYIXCSBD-UWVGGRQHSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588358997 1282473221 /nfs/dbraw/zinc/47/32/21/1282473221.db2.gz FVMHDCTYIXCSBD-NXEZZACHSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588359363 1282473948 /nfs/dbraw/zinc/47/39/48/1282473948.db2.gz MCCWAAGQHPHYKY-CQSZACIVSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588359363 1282473955 /nfs/dbraw/zinc/47/39/55/1282473955.db2.gz MCCWAAGQHPHYKY-CQSZACIVSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588360882 1282481180 /nfs/dbraw/zinc/48/11/80/1282481180.db2.gz XCGNKLYLJMTUTO-UHFFFAOYSA-N -1 1 369.838 0.887 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588361397 1282481917 /nfs/dbraw/zinc/48/19/17/1282481917.db2.gz LPRGSLUQYHJMJT-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588361397 1282481924 /nfs/dbraw/zinc/48/19/24/1282481924.db2.gz LPRGSLUQYHJMJT-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361433 1282482672 /nfs/dbraw/zinc/48/26/72/1282482672.db2.gz MTZZIROBHCCBKB-ZDUSSCGKSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361433 1282482675 /nfs/dbraw/zinc/48/26/75/1282482675.db2.gz MTZZIROBHCCBKB-ZDUSSCGKSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588361455 1282483986 /nfs/dbraw/zinc/48/39/86/1282483986.db2.gz NIJHOMOMIMYUHX-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588361455 1282483999 /nfs/dbraw/zinc/48/39/99/1282483999.db2.gz NIJHOMOMIMYUHX-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361845 1282484244 /nfs/dbraw/zinc/48/42/44/1282484244.db2.gz UAOAMXFOKBYSGG-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588361558 1282484851 /nfs/dbraw/zinc/48/48/51/1282484851.db2.gz PGHRZCVTXOZKTR-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588361558 1282484862 /nfs/dbraw/zinc/48/48/62/1282484862.db2.gz PGHRZCVTXOZKTR-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588361524 1282485068 /nfs/dbraw/zinc/48/50/68/1282485068.db2.gz OVWRFMIFVBDEQR-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588361524 1282485073 /nfs/dbraw/zinc/48/50/73/1282485073.db2.gz OVWRFMIFVBDEQR-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588361453 1282485727 /nfs/dbraw/zinc/48/57/27/1282485727.db2.gz NIJHOMOMIMYUHX-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588361453 1282485741 /nfs/dbraw/zinc/48/57/41/1282485741.db2.gz NIJHOMOMIMYUHX-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOc1ccc(CNC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001588362083 1282487137 /nfs/dbraw/zinc/48/71/37/1282487137.db2.gz SXTISXJYXSKVLO-LLVKDONJSA-N -1 1 352.358 0.348 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588362840 1282489002 /nfs/dbraw/zinc/48/90/02/1282489002.db2.gz XAFOMBQMXQQLHY-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588362840 1282489006 /nfs/dbraw/zinc/48/90/06/1282489006.db2.gz XAFOMBQMXQQLHY-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001588365191 1282490566 /nfs/dbraw/zinc/49/05/66/1282490566.db2.gz UFECFRFMBASGPF-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001588365191 1282490576 /nfs/dbraw/zinc/49/05/76/1282490576.db2.gz UFECFRFMBASGPF-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001588364507 1282490903 /nfs/dbraw/zinc/49/09/03/1282490903.db2.gz HNDQAMWGLUSLCI-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001588364507 1282490913 /nfs/dbraw/zinc/49/09/13/1282490913.db2.gz HNDQAMWGLUSLCI-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588368539 1282494333 /nfs/dbraw/zinc/49/43/33/1282494333.db2.gz VHRWCDNLRNKJJY-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380652 1282494733 /nfs/dbraw/zinc/49/47/33/1282494733.db2.gz JTRXHVYKGAXVQF-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380652 1282494739 /nfs/dbraw/zinc/49/47/39/1282494739.db2.gz JTRXHVYKGAXVQF-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001588380403 1282496134 /nfs/dbraw/zinc/49/61/34/1282496134.db2.gz DPCJOGSQWFVGRI-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001588380403 1282496142 /nfs/dbraw/zinc/49/61/42/1282496142.db2.gz DPCJOGSQWFVGRI-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001588381295 1282497150 /nfs/dbraw/zinc/49/71/50/1282497150.db2.gz XTDXOGFORNHEOO-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001588381259 1282498560 /nfs/dbraw/zinc/49/85/60/1282498560.db2.gz WJHFCZRYMNIQGQ-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001588381259 1282498562 /nfs/dbraw/zinc/49/85/62/1282498562.db2.gz WJHFCZRYMNIQGQ-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C=C(C)C[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001588404883 1282499741 /nfs/dbraw/zinc/49/97/41/1282499741.db2.gz LDQAJQLGVGKPCO-LLVKDONJSA-N -1 1 360.374 0.903 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001588402767 1282500177 /nfs/dbraw/zinc/50/01/77/1282500177.db2.gz MSJXEMFOYQWVBN-CHWSQXEVSA-N -1 1 372.433 0.463 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588448980 1282507394 /nfs/dbraw/zinc/50/73/94/1282507394.db2.gz IOXJPLZRVJROLN-GFCCVEGCSA-N -1 1 354.418 0.838 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588448000 1282508262 /nfs/dbraw/zinc/50/82/62/1282508262.db2.gz PRKUGYZOWYSEIL-LLVKDONJSA-N -1 1 358.406 0.244 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588448000 1282508269 /nfs/dbraw/zinc/50/82/69/1282508269.db2.gz PRKUGYZOWYSEIL-LLVKDONJSA-N -1 1 358.406 0.244 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001588456748 1282509899 /nfs/dbraw/zinc/50/98/99/1282509899.db2.gz UPNOBLZPXOCENJ-YABSGUDNSA-N -1 1 352.402 0.564 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001588456748 1282509910 /nfs/dbraw/zinc/50/99/10/1282509910.db2.gz UPNOBLZPXOCENJ-YABSGUDNSA-N -1 1 352.402 0.564 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588461976 1282510751 /nfs/dbraw/zinc/51/07/51/1282510751.db2.gz ZFNKVUUIETVKFM-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588461976 1282510762 /nfs/dbraw/zinc/51/07/62/1282510762.db2.gz ZFNKVUUIETVKFM-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C1CCN(c2nnc(-c3cnc(-c4nnn[n-]4)cn3)n2CCOC)CC1 ZINC001588463035 1282512511 /nfs/dbraw/zinc/51/25/11/1282512511.db2.gz XMJAYOYDDKKVTD-UHFFFAOYSA-N -1 1 368.405 0.718 20 30 FCEDMM C=C1CCN(c2nnc(-c3cnc(-c4nn[n-]n4)cn3)n2CCOC)CC1 ZINC001588463035 1282512519 /nfs/dbraw/zinc/51/25/19/1282512519.db2.gz XMJAYOYDDKKVTD-UHFFFAOYSA-N -1 1 368.405 0.718 20 30 FCEDMM C=C[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588468562 1282514429 /nfs/dbraw/zinc/51/44/29/1282514429.db2.gz UJSPWILWCWLBRC-OCCSQVGLSA-N -1 1 364.413 0.965 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588476845 1282515497 /nfs/dbraw/zinc/51/54/97/1282515497.db2.gz XXZNOWSYTXXELD-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588476845 1282515505 /nfs/dbraw/zinc/51/55/05/1282515505.db2.gz XXZNOWSYTXXELD-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588475086 1282516095 /nfs/dbraw/zinc/51/60/95/1282516095.db2.gz MHGWXOVTASGOFC-SNVBAGLBSA-N -1 1 360.422 0.320 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588475086 1282516104 /nfs/dbraw/zinc/51/61/04/1282516104.db2.gz MHGWXOVTASGOFC-SNVBAGLBSA-N -1 1 360.422 0.320 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588477930 1282517015 /nfs/dbraw/zinc/51/70/15/1282517015.db2.gz LWSYCYAQGQAPPU-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588477930 1282517027 /nfs/dbraw/zinc/51/70/27/1282517027.db2.gz LWSYCYAQGQAPPU-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588486672 1282518874 /nfs/dbraw/zinc/51/88/74/1282518874.db2.gz HSQZABGPPWMBCO-PJXYFTJBSA-N -1 1 354.418 0.810 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588486672 1282518887 /nfs/dbraw/zinc/51/88/87/1282518887.db2.gz HSQZABGPPWMBCO-PJXYFTJBSA-N -1 1 354.418 0.810 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001588482802 1282519599 /nfs/dbraw/zinc/51/95/99/1282519599.db2.gz ZQTBRSFHRFPSFE-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001588482802 1282519611 /nfs/dbraw/zinc/51/96/11/1282519611.db2.gz ZQTBRSFHRFPSFE-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588481662 1282519768 /nfs/dbraw/zinc/51/97/68/1282519768.db2.gz NHQKCKDJLHMAMM-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588481662 1282519776 /nfs/dbraw/zinc/51/97/76/1282519776.db2.gz NHQKCKDJLHMAMM-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588488624 1282521199 /nfs/dbraw/zinc/52/11/99/1282521199.db2.gz KHFACGUGVNGVOJ-YVEFUNNKSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588488624 1282521210 /nfs/dbraw/zinc/52/12/10/1282521210.db2.gz KHFACGUGVNGVOJ-YVEFUNNKSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588494949 1282521806 /nfs/dbraw/zinc/52/18/06/1282521806.db2.gz ZDNCZGIHNRZQFS-BZNIZROVSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588494949 1282521819 /nfs/dbraw/zinc/52/18/19/1282521819.db2.gz ZDNCZGIHNRZQFS-BZNIZROVSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588495359 1282522216 /nfs/dbraw/zinc/52/22/16/1282522216.db2.gz COCGAFBSEPWGLK-KRWDZBQOSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588495359 1282522225 /nfs/dbraw/zinc/52/22/25/1282522225.db2.gz COCGAFBSEPWGLK-KRWDZBQOSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588493062 1282522390 /nfs/dbraw/zinc/52/23/90/1282522390.db2.gz AAVHPSHTZVVNCT-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588493062 1282522398 /nfs/dbraw/zinc/52/23/98/1282522398.db2.gz AAVHPSHTZVVNCT-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588493522 1282522998 /nfs/dbraw/zinc/52/29/98/1282522998.db2.gz HDUSNEJPMMBNKL-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588493522 1282523007 /nfs/dbraw/zinc/52/30/07/1282523007.db2.gz HDUSNEJPMMBNKL-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588495306 1282523231 /nfs/dbraw/zinc/52/32/31/1282523231.db2.gz BMXURRZZCNGWPI-SJCJKPOMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588495306 1282523237 /nfs/dbraw/zinc/52/32/37/1282523237.db2.gz BMXURRZZCNGWPI-SJCJKPOMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588495492 1282524771 /nfs/dbraw/zinc/52/47/71/1282524771.db2.gz GCBXRGLDBDVPGP-XNJGSVPQSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588495492 1282524777 /nfs/dbraw/zinc/52/47/77/1282524777.db2.gz GCBXRGLDBDVPGP-XNJGSVPQSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588495611 1282526422 /nfs/dbraw/zinc/52/64/22/1282526422.db2.gz GZTAFWFTJSBRLU-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588495611 1282526432 /nfs/dbraw/zinc/52/64/32/1282526432.db2.gz GZTAFWFTJSBRLU-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588495654 1282527243 /nfs/dbraw/zinc/52/72/43/1282527243.db2.gz HRCAQWJTFVMGHJ-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588498578 1282529959 /nfs/dbraw/zinc/52/99/59/1282529959.db2.gz BRHDXARZZMZNLX-INIZCTEOSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588498578 1282529971 /nfs/dbraw/zinc/52/99/71/1282529971.db2.gz BRHDXARZZMZNLX-INIZCTEOSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588500229 1282531100 /nfs/dbraw/zinc/53/11/00/1282531100.db2.gz SZXPSYSIVPSZTG-BDJLRTHQSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588500229 1282531109 /nfs/dbraw/zinc/53/11/09/1282531109.db2.gz SZXPSYSIVPSZTG-BDJLRTHQSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588499863 1282532230 /nfs/dbraw/zinc/53/22/30/1282532230.db2.gz NWQKYCYEEIRNDX-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588499863 1282532234 /nfs/dbraw/zinc/53/22/34/1282532234.db2.gz NWQKYCYEEIRNDX-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588501115 1282534259 /nfs/dbraw/zinc/53/42/59/1282534259.db2.gz JQWBEUSFOMKUPC-SJCJKPOMSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588501115 1282534268 /nfs/dbraw/zinc/53/42/68/1282534268.db2.gz JQWBEUSFOMKUPC-SJCJKPOMSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501031 1282534837 /nfs/dbraw/zinc/53/48/37/1282534837.db2.gz IKAAIZGQVWVYET-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588501750 1282536596 /nfs/dbraw/zinc/53/65/96/1282536596.db2.gz OGCINFGVOWPUGV-QLJPJBMISA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588501750 1282536605 /nfs/dbraw/zinc/53/66/05/1282536605.db2.gz OGCINFGVOWPUGV-QLJPJBMISA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588501996 1282537776 /nfs/dbraw/zinc/53/77/76/1282537776.db2.gz PURRAZRWVICTQR-PXAZEXFGSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501972 1282538614 /nfs/dbraw/zinc/53/86/14/1282538614.db2.gz PTMIKTBQBNZTHZ-MRXNPFEDSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501972 1282538624 /nfs/dbraw/zinc/53/86/24/1282538624.db2.gz PTMIKTBQBNZTHZ-MRXNPFEDSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588502183 1282538646 /nfs/dbraw/zinc/53/86/46/1282538646.db2.gz RKIWXIMWKSSKLF-BZNIZROVSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588502183 1282538655 /nfs/dbraw/zinc/53/86/55/1282538655.db2.gz RKIWXIMWKSSKLF-BZNIZROVSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505594 1282544817 /nfs/dbraw/zinc/54/48/17/1282544817.db2.gz SGTLSPBBPCCPAJ-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505594 1282544826 /nfs/dbraw/zinc/54/48/26/1282544826.db2.gz SGTLSPBBPCCPAJ-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588505587 1282545740 /nfs/dbraw/zinc/54/57/40/1282545740.db2.gz SEAKIIUOOGTTIO-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588505587 1282545752 /nfs/dbraw/zinc/54/57/52/1282545752.db2.gz SEAKIIUOOGTTIO-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588520821 1282554869 /nfs/dbraw/zinc/55/48/69/1282554869.db2.gz FVJHTLZWHHNCHX-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588520821 1282554880 /nfs/dbraw/zinc/55/48/80/1282554880.db2.gz FVJHTLZWHHNCHX-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588519069 1282555223 /nfs/dbraw/zinc/55/52/23/1282555223.db2.gz RGFHLTNBGVSLAN-CHWSQXEVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588519069 1282555234 /nfs/dbraw/zinc/55/52/34/1282555234.db2.gz RGFHLTNBGVSLAN-CHWSQXEVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588519072 1282555791 /nfs/dbraw/zinc/55/57/91/1282555791.db2.gz RGFHLTNBGVSLAN-STQMWFEESA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588519072 1282555798 /nfs/dbraw/zinc/55/57/98/1282555798.db2.gz RGFHLTNBGVSLAN-STQMWFEESA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588520779 1282556294 /nfs/dbraw/zinc/55/62/94/1282556294.db2.gz DZLQGWDZXGQYII-QWHCGFSZSA-N -1 1 372.433 0.320 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588524066 1282558728 /nfs/dbraw/zinc/55/87/28/1282558728.db2.gz OJLVVZJOMUKGEY-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588524066 1282558737 /nfs/dbraw/zinc/55/87/37/1282558737.db2.gz OJLVVZJOMUKGEY-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588531524 1282560847 /nfs/dbraw/zinc/56/08/47/1282560847.db2.gz DVNFZFCTSDRISL-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CCC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588531524 1282560853 /nfs/dbraw/zinc/56/08/53/1282560853.db2.gz DVNFZFCTSDRISL-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588531489 1282561384 /nfs/dbraw/zinc/56/13/84/1282561384.db2.gz CWSUXUXREVDEIC-RYUDHWBXSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CC[C@H](Cc1ccccc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588546121 1282563654 /nfs/dbraw/zinc/56/36/54/1282563654.db2.gz YAIHFLGTPFGIKF-CQSZACIVSA-N -1 1 367.417 0.945 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588538803 1282563779 /nfs/dbraw/zinc/56/37/79/1282563779.db2.gz YXVRQZPTDSJFOP-TXEJJXNPSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001588549695 1282563936 /nfs/dbraw/zinc/56/39/36/1282563936.db2.gz UNKYCGHEMRTSTI-LBPRGKRZSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001588549695 1282563945 /nfs/dbraw/zinc/56/39/45/1282563945.db2.gz UNKYCGHEMRTSTI-LBPRGKRZSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588544706 1282564652 /nfs/dbraw/zinc/56/46/52/1282564652.db2.gz QGOZRYFCYQJXHA-WDNDVIMCSA-N -1 1 366.429 0.976 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588544706 1282564658 /nfs/dbraw/zinc/56/46/58/1282564658.db2.gz QGOZRYFCYQJXHA-WDNDVIMCSA-N -1 1 366.429 0.976 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588544888 1282565369 /nfs/dbraw/zinc/56/53/69/1282565369.db2.gz ZBOYEBKZFHBVNU-OLZOCXBDSA-N -1 1 370.417 0.091 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588553297 1282565959 /nfs/dbraw/zinc/56/59/59/1282565959.db2.gz MFEVVFRDPRFVBA-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588553297 1282565967 /nfs/dbraw/zinc/56/59/67/1282565967.db2.gz MFEVVFRDPRFVBA-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001588553223 1282567137 /nfs/dbraw/zinc/56/71/37/1282567137.db2.gz JTEIXUUIHRMMLD-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001588553223 1282567148 /nfs/dbraw/zinc/56/71/48/1282567148.db2.gz JTEIXUUIHRMMLD-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NCCCNc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588553417 1282567363 /nfs/dbraw/zinc/56/73/63/1282567363.db2.gz NMUPEAWGESGHKS-UHFFFAOYSA-N -1 1 372.433 0.370 20 30 FCEDMM C=CCC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1 ZINC001588553685 1282567508 /nfs/dbraw/zinc/56/75/08/1282567508.db2.gz SIFUGPZFKZJJGD-UHFFFAOYSA-N -1 1 359.390 0.382 20 30 FCEDMM C=CCC1(C(=O)NCCNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001588553209 1282567771 /nfs/dbraw/zinc/56/77/71/1282567771.db2.gz JIBDDFYCYMNOJQ-UHFFFAOYSA-N -1 1 358.406 0.558 20 30 FCEDMM C=CCC1(C(=O)NCCNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001588553209 1282567778 /nfs/dbraw/zinc/56/77/78/1282567778.db2.gz JIBDDFYCYMNOJQ-UHFFFAOYSA-N -1 1 358.406 0.558 20 30 FCEDMM C=CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001588572558 1282569529 /nfs/dbraw/zinc/56/95/29/1282569529.db2.gz MJYRMJBPJHOJAF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001588572558 1282569540 /nfs/dbraw/zinc/56/95/40/1282569540.db2.gz MJYRMJBPJHOJAF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588571839 1282569629 /nfs/dbraw/zinc/56/96/29/1282569629.db2.gz QBRZFYSGQAHXIY-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588571839 1282569643 /nfs/dbraw/zinc/56/96/43/1282569643.db2.gz QBRZFYSGQAHXIY-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588570675 1282570944 /nfs/dbraw/zinc/57/09/44/1282570944.db2.gz BFOKXBFFDIBTPF-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588570675 1282570953 /nfs/dbraw/zinc/57/09/53/1282570953.db2.gz BFOKXBFFDIBTPF-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588583221 1282576619 /nfs/dbraw/zinc/57/66/19/1282576619.db2.gz VPCCYDTZJBVDJO-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588583221 1282576632 /nfs/dbraw/zinc/57/66/32/1282576632.db2.gz VPCCYDTZJBVDJO-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588608040 1282581801 /nfs/dbraw/zinc/58/18/01/1282581801.db2.gz DBEUPDYNMNMLHD-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588608040 1282581813 /nfs/dbraw/zinc/58/18/13/1282581813.db2.gz DBEUPDYNMNMLHD-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588608355 1282583653 /nfs/dbraw/zinc/58/36/53/1282583653.db2.gz KKLDNTAUTALCHX-LBPRGKRZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588608714 1282583894 /nfs/dbraw/zinc/58/38/94/1282583894.db2.gz PJEIHXSCAZLMJL-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588610620 1282589458 /nfs/dbraw/zinc/58/94/58/1282589458.db2.gz ITTLUICVUVDNQH-IJLUTSLNSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588610620 1282589472 /nfs/dbraw/zinc/58/94/72/1282589472.db2.gz ITTLUICVUVDNQH-IJLUTSLNSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588616550 1282596942 /nfs/dbraw/zinc/59/69/42/1282596942.db2.gz JXLKZBOHIBHFBL-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588616550 1282596952 /nfs/dbraw/zinc/59/69/52/1282596952.db2.gz JXLKZBOHIBHFBL-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588617264 1282598449 /nfs/dbraw/zinc/59/84/49/1282598449.db2.gz SDJJPGYRQZWNGL-INIZCTEOSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588617290 1282599986 /nfs/dbraw/zinc/59/99/86/1282599986.db2.gz SYYPOPDQDJOQEL-VXGBXAGGSA-N -1 1 360.422 0.863 20 30 FCEDMM C=CCCOCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588617290 1282599996 /nfs/dbraw/zinc/59/99/96/1282599996.db2.gz SYYPOPDQDJOQEL-VXGBXAGGSA-N -1 1 360.422 0.863 20 30 FCEDMM C=CCN(CCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588632335 1282600674 /nfs/dbraw/zinc/60/06/74/1282600674.db2.gz PRLIEQOFBURXQD-UHFFFAOYSA-N -1 1 363.359 0.865 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588666165 1282618214 /nfs/dbraw/zinc/61/82/14/1282618214.db2.gz BGBWFNXSVKKFEC-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588666165 1282618229 /nfs/dbraw/zinc/61/82/29/1282618229.db2.gz BGBWFNXSVKKFEC-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588666111 1282621600 /nfs/dbraw/zinc/62/16/00/1282621600.db2.gz ADPKXUAFQZLHTI-INIZCTEOSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588666111 1282621605 /nfs/dbraw/zinc/62/16/05/1282621605.db2.gz ADPKXUAFQZLHTI-INIZCTEOSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001588667234 1282623670 /nfs/dbraw/zinc/62/36/70/1282623670.db2.gz STSVMBNYGCQVQZ-QGZVFWFLSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001588667234 1282623682 /nfs/dbraw/zinc/62/36/82/1282623682.db2.gz STSVMBNYGCQVQZ-QGZVFWFLSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001588674419 1282630033 /nfs/dbraw/zinc/63/00/33/1282630033.db2.gz NMTOEGTVBXYIGC-GFCCVEGCSA-N -1 1 370.417 0.334 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001588674419 1282630044 /nfs/dbraw/zinc/63/00/44/1282630044.db2.gz NMTOEGTVBXYIGC-GFCCVEGCSA-N -1 1 370.417 0.334 20 30 FCEDMM C=CCOCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588674295 1282632774 /nfs/dbraw/zinc/63/27/74/1282632774.db2.gz MJUDUEHCWYQWAE-ZETCQYMHSA-N -1 1 373.826 0.068 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588682428 1282640227 /nfs/dbraw/zinc/64/02/27/1282640227.db2.gz YTXURZPNELPHIL-GXTWGEPZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588682428 1282640241 /nfs/dbraw/zinc/64/02/41/1282640241.db2.gz YTXURZPNELPHIL-GXTWGEPZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC001588703474 1282654106 /nfs/dbraw/zinc/65/41/06/1282654106.db2.gz BVKRRSBJVDIURY-SNVBAGLBSA-N -1 1 369.389 0.477 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C(=O)NC)C1 ZINC001588703474 1282654123 /nfs/dbraw/zinc/65/41/23/1282654123.db2.gz BVKRRSBJVDIURY-SNVBAGLBSA-N -1 1 369.389 0.477 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001588701044 1282654208 /nfs/dbraw/zinc/65/42/08/1282654208.db2.gz ZXGMIIPVWXHRST-AOOOYVTPSA-N -1 1 354.378 0.402 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001588709312 1282655650 /nfs/dbraw/zinc/65/56/50/1282655650.db2.gz QBAZPCBNAKFHEC-SRVKXCTJSA-N -1 1 369.437 0.765 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001588709978 1282657074 /nfs/dbraw/zinc/65/70/74/1282657074.db2.gz ZHDZKGJDOQEBIR-VXGBXAGGSA-N -1 1 369.437 0.909 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588721276 1282662936 /nfs/dbraw/zinc/66/29/36/1282662936.db2.gz FZRWJMHGBJOVAE-UPJWGTAASA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588721276 1282662950 /nfs/dbraw/zinc/66/29/50/1282662950.db2.gz FZRWJMHGBJOVAE-UPJWGTAASA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588718683 1282665134 /nfs/dbraw/zinc/66/51/34/1282665134.db2.gz PUDGKFOZAABFBY-LOWVWBTDSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588718683 1282665142 /nfs/dbraw/zinc/66/51/42/1282665142.db2.gz PUDGKFOZAABFBY-LOWVWBTDSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588723906 1282671899 /nfs/dbraw/zinc/67/18/99/1282671899.db2.gz SPFYQFWAOUTQFX-AGIUHOORSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588723906 1282671912 /nfs/dbraw/zinc/67/19/12/1282671912.db2.gz SPFYQFWAOUTQFX-AGIUHOORSA-N -1 1 370.417 0.555 20 30 FCEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001588736781 1282677403 /nfs/dbraw/zinc/67/74/03/1282677403.db2.gz DZIHDRARHNPSCU-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001588736781 1282677411 /nfs/dbraw/zinc/67/74/11/1282677411.db2.gz DZIHDRARHNPSCU-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588738204 1282679448 /nfs/dbraw/zinc/67/94/48/1282679448.db2.gz MGDREGGEUJXWMJ-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM CC#CCCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588737571 1282680969 /nfs/dbraw/zinc/68/09/69/1282680969.db2.gz GPKCVNCGLOXGPI-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588740838 1282682280 /nfs/dbraw/zinc/68/22/80/1282682280.db2.gz YDGBWSKUHILULS-CHWSQXEVSA-N -1 1 356.434 0.967 20 30 FCEDMM CC#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588740841 1282684003 /nfs/dbraw/zinc/68/40/03/1282684003.db2.gz YDGBWSKUHILULS-STQMWFEESA-N -1 1 356.434 0.967 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588746262 1282684560 /nfs/dbraw/zinc/68/45/60/1282684560.db2.gz PEURXVHHCXGEDE-JYAVWHMHSA-N -1 1 352.402 0.401 20 30 FCEDMM CC#CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588746211 1282686503 /nfs/dbraw/zinc/68/65/03/1282686503.db2.gz NXMHVMRJTHUKRN-GFCCVEGCSA-N -1 1 355.406 0.290 20 30 FCEDMM CC#CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588746211 1282686519 /nfs/dbraw/zinc/68/65/19/1282686519.db2.gz NXMHVMRJTHUKRN-GFCCVEGCSA-N -1 1 355.406 0.290 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001588744042 1282687211 /nfs/dbraw/zinc/68/72/11/1282687211.db2.gz PYEQBPDXTBKPHD-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001588744042 1282687219 /nfs/dbraw/zinc/68/72/19/1282687219.db2.gz PYEQBPDXTBKPHD-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC(=O)Nc1cccc(OCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001588884060 1282722944 /nfs/dbraw/zinc/72/29/44/1282722944.db2.gz VSRUUFMTNIVUJT-UHFFFAOYSA-N -1 1 365.357 0.978 20 30 FCEDMM CC(=O)Nc1cccc(OCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001588884060 1282722950 /nfs/dbraw/zinc/72/29/50/1282722950.db2.gz VSRUUFMTNIVUJT-UHFFFAOYSA-N -1 1 365.357 0.978 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001588926639 1282729344 /nfs/dbraw/zinc/72/93/44/1282729344.db2.gz KDFQVCLHCTUVOY-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001588926639 1282729352 /nfs/dbraw/zinc/72/93/52/1282729352.db2.gz KDFQVCLHCTUVOY-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001588926672 1282729844 /nfs/dbraw/zinc/72/98/44/1282729844.db2.gz NRBLOJFAKMNKMU-SDDRHHMPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001588926672 1282729850 /nfs/dbraw/zinc/72/98/50/1282729850.db2.gz NRBLOJFAKMNKMU-SDDRHHMPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588939401 1282734804 /nfs/dbraw/zinc/73/48/04/1282734804.db2.gz AOOLEQDLTPJRLH-ZWNOBZJWSA-N -1 1 367.373 0.083 20 30 FCEDMM C[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588939398 1282734906 /nfs/dbraw/zinc/73/49/06/1282734906.db2.gz AOOLEQDLTPJRLH-GWCFXTLKSA-N -1 1 367.373 0.083 20 30 FCEDMM C[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588970742 1282747853 /nfs/dbraw/zinc/74/78/53/1282747853.db2.gz OKEBJYKBZGBBEE-PIGZYNQJSA-N -1 1 363.385 0.587 20 30 FCEDMM C[C@H](C(=O)NCc1cccc(OCC#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998782 1282762615 /nfs/dbraw/zinc/76/26/15/1282762615.db2.gz VXSYYDHIPIUTAT-SNVBAGLBSA-N -1 1 353.346 0.238 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001589386909 1282864978 /nfs/dbraw/zinc/86/49/78/1282864978.db2.gz DZSLDTICEJGVRR-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001589386909 1282864987 /nfs/dbraw/zinc/86/49/87/1282864987.db2.gz DZSLDTICEJGVRR-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589389428 1282866396 /nfs/dbraw/zinc/86/63/96/1282866396.db2.gz DUKASOLWNGULMD-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589389428 1282866410 /nfs/dbraw/zinc/86/64/10/1282866410.db2.gz DUKASOLWNGULMD-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001589387718 1282866636 /nfs/dbraw/zinc/86/66/36/1282866636.db2.gz PBEBHUHSKYCPIR-SCLBCKFNSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001589387718 1282866645 /nfs/dbraw/zinc/86/66/45/1282866645.db2.gz PBEBHUHSKYCPIR-SCLBCKFNSA-N -1 1 366.429 0.934 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)CSCC#N ZINC001589799350 1283012746 /nfs/dbraw/zinc/01/27/46/1283012746.db2.gz KYVNVTSSFYCZSI-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001589799350 1283012758 /nfs/dbraw/zinc/01/27/58/1283012758.db2.gz KYVNVTSSFYCZSI-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)CSCC#N ZINC001589798615 1283013364 /nfs/dbraw/zinc/01/33/64/1283013364.db2.gz JRDWWHLDVLFVDS-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)CSCC#N ZINC001589798615 1283013376 /nfs/dbraw/zinc/01/33/76/1283013376.db2.gz JRDWWHLDVLFVDS-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)CSCC#N ZINC001589799164 1283015257 /nfs/dbraw/zinc/01/52/57/1283015257.db2.gz FPDBZDIICHMWEY-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)CSCC#N ZINC001589799164 1283015270 /nfs/dbraw/zinc/01/52/70/1283015270.db2.gz FPDBZDIICHMWEY-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](CN(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[n-]n1 ZINC001589836462 1283076087 /nfs/dbraw/zinc/07/60/87/1283076087.db2.gz NXZATNWLSHHKMA-GXFFZTMASA-N -1 1 366.389 0.324 20 30 FCEDMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589878594 1283106395 /nfs/dbraw/zinc/10/63/95/1283106395.db2.gz CVNBSGCOJMVKJN-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589878594 1283106401 /nfs/dbraw/zinc/10/64/01/1283106401.db2.gz CVNBSGCOJMVKJN-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986997 1283157565 /nfs/dbraw/zinc/15/75/65/1283157565.db2.gz AZMVHUGNHZMGPX-FZMZJTMJSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986997 1283157569 /nfs/dbraw/zinc/15/75/69/1283157569.db2.gz AZMVHUGNHZMGPX-FZMZJTMJSA-N -1 1 368.401 0.098 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001590110177 1283221580 /nfs/dbraw/zinc/22/15/80/1283221580.db2.gz YTFLMQKXIUIAOL-LBPRGKRZSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001590110177 1283221582 /nfs/dbraw/zinc/22/15/82/1283221582.db2.gz YTFLMQKXIUIAOL-LBPRGKRZSA-N -1 1 352.402 0.401 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590196862 1283306342 /nfs/dbraw/zinc/30/63/42/1283306342.db2.gz MBUXHWRQMQLSDM-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590196862 1283306357 /nfs/dbraw/zinc/30/63/57/1283306357.db2.gz MBUXHWRQMQLSDM-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM CC1CC(n2nnc3c2CN(c2cnc(-c4nnn[n-]4)c(C#N)n2)CC3)C1 ZINC001590215226 1283346979 /nfs/dbraw/zinc/34/69/79/1283346979.db2.gz SZTRWYPBVOCECL-UHFFFAOYSA-N -1 1 363.389 0.654 20 30 FCEDMM CC1CC(n2nnc3c2CN(c2cnc(-c4nn[n-]n4)c(C#N)n2)CC3)C1 ZINC001590215226 1283346986 /nfs/dbraw/zinc/34/69/86/1283346986.db2.gz SZTRWYPBVOCECL-UHFFFAOYSA-N -1 1 363.389 0.654 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590232580 1283363937 /nfs/dbraw/zinc/36/39/37/1283363937.db2.gz CAFLNFCBJKNYJD-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590232580 1283363949 /nfs/dbraw/zinc/36/39/49/1283363949.db2.gz CAFLNFCBJKNYJD-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590232582 1283365992 /nfs/dbraw/zinc/36/59/92/1283365992.db2.gz CAFLNFCBJKNYJD-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590232582 1283366003 /nfs/dbraw/zinc/36/60/03/1283366003.db2.gz CAFLNFCBJKNYJD-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001590255886 1283378688 /nfs/dbraw/zinc/37/86/88/1283378688.db2.gz YKYMIAQXAREPJZ-WCQYABFASA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590284332 1283410568 /nfs/dbraw/zinc/41/05/68/1283410568.db2.gz RFWWJCOUTJCVQU-AAEUAGOBSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590284332 1283410575 /nfs/dbraw/zinc/41/05/75/1283410575.db2.gz RFWWJCOUTJCVQU-AAEUAGOBSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590283336 1283410834 /nfs/dbraw/zinc/41/08/34/1283410834.db2.gz MUSYKQMGSMSFSI-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590283336 1283410838 /nfs/dbraw/zinc/41/08/38/1283410838.db2.gz MUSYKQMGSMSFSI-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590283325 1283411048 /nfs/dbraw/zinc/41/10/48/1283411048.db2.gz MSOCEPIBWHDEID-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590283325 1283411056 /nfs/dbraw/zinc/41/10/56/1283411056.db2.gz MSOCEPIBWHDEID-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590292105 1283423660 /nfs/dbraw/zinc/42/36/60/1283423660.db2.gz IVYVPNHVNRMLML-UWVGGRQHSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590292105 1283423666 /nfs/dbraw/zinc/42/36/66/1283423666.db2.gz IVYVPNHVNRMLML-UWVGGRQHSA-N -1 1 359.419 0.172 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC001604547614 1287655738 /nfs/dbraw/zinc/65/57/38/1287655738.db2.gz TWLWNDWDHNFGOK-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC001604547614 1287655739 /nfs/dbraw/zinc/65/57/39/1287655739.db2.gz TWLWNDWDHNFGOK-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCN(C(C)=O)c1nc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cs1 ZINC001590676425 1283722022 /nfs/dbraw/zinc/72/20/22/1283722022.db2.gz HTDGFAJDKQZUBL-UHFFFAOYSA-N -1 1 358.391 0.395 20 30 FCEDMM CCN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nnn[n-]2)nn1 ZINC001590699379 1283745289 /nfs/dbraw/zinc/74/52/89/1283745289.db2.gz AUMVTGSCNBYDQL-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC001590699379 1283745298 /nfs/dbraw/zinc/74/52/98/1283745298.db2.gz AUMVTGSCNBYDQL-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(C#N)cccc2[N+](=O)[O-])c1=O ZINC001604601490 1287679420 /nfs/dbraw/zinc/67/94/20/1287679420.db2.gz YWHLWKYAFUBKSM-UHFFFAOYSA-N -1 1 368.313 0.038 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCCN(C)C(=O)C#CC2CC2)n1 ZINC001590903914 1283953502 /nfs/dbraw/zinc/95/35/02/1283953502.db2.gz DGEUFEWUYQHXNA-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCCN(C)C(=O)C#CC2CC2)n1 ZINC001590903914 1283953511 /nfs/dbraw/zinc/95/35/11/1283953511.db2.gz DGEUFEWUYQHXNA-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001590903662 1283954093 /nfs/dbraw/zinc/95/40/93/1283954093.db2.gz DQFFMHWLBGUAMB-LLVKDONJSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001590903662 1283954104 /nfs/dbraw/zinc/95/41/04/1283954104.db2.gz DQFFMHWLBGUAMB-LLVKDONJSA-N -1 1 369.433 0.806 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591057692 1284119020 /nfs/dbraw/zinc/11/90/20/1284119020.db2.gz ILNVXYBKRGBCQQ-CYBMUJFWSA-N -1 1 368.445 0.991 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591057692 1284119023 /nfs/dbraw/zinc/11/90/23/1284119023.db2.gz ILNVXYBKRGBCQQ-CYBMUJFWSA-N -1 1 368.445 0.991 20 30 FCEDMM CN(CCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C(=O)OC(C)(C)C ZINC001591062888 1284122090 /nfs/dbraw/zinc/12/20/90/1284122090.db2.gz PRRMHJLAKNTHIN-UHFFFAOYSA-N -1 1 361.366 0.657 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001591159789 1284234108 /nfs/dbraw/zinc/23/41/08/1284234108.db2.gz FXRDOWVJYQLXFY-UHFFFAOYSA-N -1 1 357.378 0.584 20 30 FCEDMM COc1cccc(C#CCOC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001591632581 1284773814 /nfs/dbraw/zinc/77/38/14/1284773814.db2.gz XKFDMKSCNFHSOZ-NSHDSACASA-N -1 1 353.342 0.623 20 30 FCEDMM CS(=O)(=O)c1cccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001591682026 1284824035 /nfs/dbraw/zinc/82/40/35/1284824035.db2.gz SWRWDKBMXYUKPX-UHFFFAOYSA-N -1 1 356.371 0.544 20 30 FCEDMM CS(=O)(=O)c1cccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001591682026 1284824042 /nfs/dbraw/zinc/82/40/42/1284824042.db2.gz SWRWDKBMXYUKPX-UHFFFAOYSA-N -1 1 356.371 0.544 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591753450 1284882587 /nfs/dbraw/zinc/88/25/87/1284882587.db2.gz BANOCDIAPWMNNA-NEPJUHHUSA-N -1 1 354.418 0.790 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001591886410 1284975421 /nfs/dbraw/zinc/97/54/21/1284975421.db2.gz FWGOQRFWQVUHTO-GFCCVEGCSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001591886410 1284975427 /nfs/dbraw/zinc/97/54/27/1284975427.db2.gz FWGOQRFWQVUHTO-GFCCVEGCSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)n1 ZINC001591885376 1284975555 /nfs/dbraw/zinc/97/55/55/1284975555.db2.gz LXZQBPNGZJQWRO-OKILXGFUSA-N -1 1 366.429 0.804 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)n1 ZINC001591885376 1284975563 /nfs/dbraw/zinc/97/55/63/1284975563.db2.gz LXZQBPNGZJQWRO-OKILXGFUSA-N -1 1 366.429 0.804 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC001591888421 1284979013 /nfs/dbraw/zinc/97/90/13/1284979013.db2.gz MAUGTAJSVHSVAI-NSHDSACASA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC001591888421 1284979023 /nfs/dbraw/zinc/97/90/23/1284979023.db2.gz MAUGTAJSVHSVAI-NSHDSACASA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c(C)c(C)c1C#N ZINC001592062612 1285103073 /nfs/dbraw/zinc/10/30/73/1285103073.db2.gz GXGDDYMAXIYNSM-UHFFFAOYSA-N -1 1 353.342 0.843 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)o1 ZINC001592335614 1285244698 /nfs/dbraw/zinc/24/46/98/1285244698.db2.gz FQMJNQHYWDTVOJ-GFCCVEGCSA-N -1 1 372.389 0.131 20 30 FCEDMM Cc1nsc(N2CC[C@@H](NC(=O)CSCC#N)C2)c1-c1nn[n-]n1 ZINC001592472713 1285412528 /nfs/dbraw/zinc/41/25/28/1285412528.db2.gz BWUGNUZYLJRMCG-SECBINFHSA-N -1 1 364.460 0.583 20 30 FCEDMM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592478007 1285417794 /nfs/dbraw/zinc/41/77/94/1285417794.db2.gz LTZGFAAFOZHNFE-DVVUODLYSA-N -1 1 358.431 0.828 20 30 FCEDMM Cc1nsc(N[C@H](C)CNC(=O)CSCC#N)c1-c1nn[n-]n1 ZINC001592484907 1285420250 /nfs/dbraw/zinc/42/02/50/1285420250.db2.gz XUTOVFGXZXRHAB-SSDOTTSWSA-N -1 1 352.449 0.805 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(OCC#N)c2)n1 ZINC001592561084 1285473058 /nfs/dbraw/zinc/47/30/58/1285473058.db2.gz TVVVJIMYADEYMS-UHFFFAOYSA-N -1 1 353.346 0.824 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(OCC#N)c2)n1 ZINC001592561084 1285473060 /nfs/dbraw/zinc/47/30/60/1285473060.db2.gz TVVVJIMYADEYMS-UHFFFAOYSA-N -1 1 353.346 0.824 20 30 FCEDMM N#C[C@@H]1CSCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001592671793 1285567153 /nfs/dbraw/zinc/56/71/53/1285567153.db2.gz OPVYXPBRLJJNPI-GFCCVEGCSA-N -1 1 357.443 0.806 20 30 FCEDMM N#CC[C@@]1(O)CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001592674575 1285569344 /nfs/dbraw/zinc/56/93/44/1285569344.db2.gz GEANVDKWNHVPOX-CYBMUJFWSA-N -1 1 367.291 0.771 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001592679379 1285576906 /nfs/dbraw/zinc/57/69/06/1285576906.db2.gz OYCZHXJWTJUWDN-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001592679379 1285576909 /nfs/dbraw/zinc/57/69/09/1285576909.db2.gz OYCZHXJWTJUWDN-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CCc2ccc3c(c2)OCCO3)nc1-c1nn[nH]n1 ZINC001592682919 1285581100 /nfs/dbraw/zinc/58/11/00/1285581100.db2.gz HVCWUHWRCFEVOT-UHFFFAOYSA-N -1 1 366.341 0.804 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccc(N3CCOC3=O)c2)nc1-c1nn[nH]n1 ZINC001592681766 1285581349 /nfs/dbraw/zinc/58/13/49/1285581349.db2.gz IPQLVPMUZLZLGE-UHFFFAOYSA-N -1 1 365.313 0.670 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001592683087 1285581389 /nfs/dbraw/zinc/58/13/89/1285581389.db2.gz KHZFHLZLVXDTPP-SSDOTTSWSA-N -1 1 366.267 0.790 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H](O)Cc2ccccc2Cl)nc1-c1nn[nH]n1 ZINC001592681670 1285581423 /nfs/dbraw/zinc/58/14/23/1285581423.db2.gz XTAXFHLPRXNTBV-SNVBAGLBSA-N -1 1 358.749 0.657 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001592681922 1285581879 /nfs/dbraw/zinc/58/18/79/1285581879.db2.gz MRLJCFJRXRXKSM-UHFFFAOYSA-N -1 1 367.417 0.602 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001592687322 1285583364 /nfs/dbraw/zinc/58/33/64/1285583364.db2.gz MTNFZXMGYPQLLV-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001592687322 1285583369 /nfs/dbraw/zinc/58/33/69/1285583369.db2.gz MTNFZXMGYPQLLV-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592697347 1285588859 /nfs/dbraw/zinc/58/88/59/1285588859.db2.gz GUWUBXLHRMRNQQ-CYBMUJFWSA-N -1 1 364.373 0.317 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](c3nnc4ccccn43)C2)cnc1-c1nnn[n-]1 ZINC001592704858 1285592847 /nfs/dbraw/zinc/59/28/47/1285592847.db2.gz RWTRTFNVFMDBDJ-LLVKDONJSA-N -1 1 373.384 0.955 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H](c3nnc4ccccn43)C2)cnc1-c1nn[n-]n1 ZINC001592704858 1285592852 /nfs/dbraw/zinc/59/28/52/1285592852.db2.gz RWTRTFNVFMDBDJ-LLVKDONJSA-N -1 1 373.384 0.955 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001592766626 1285688005 /nfs/dbraw/zinc/68/80/05/1285688005.db2.gz PIUQAXPXJWQGOK-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001592766626 1285688014 /nfs/dbraw/zinc/68/80/14/1285688014.db2.gz PIUQAXPXJWQGOK-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001592767298 1285689799 /nfs/dbraw/zinc/68/97/99/1285689799.db2.gz AKYNOXOFOIVKNB-CYBMUJFWSA-N -1 1 372.454 0.659 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592767912 1285690954 /nfs/dbraw/zinc/69/09/54/1285690954.db2.gz RFCGMBYDSZWDEC-JOCQHMNTSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592767912 1285690959 /nfs/dbraw/zinc/69/09/59/1285690959.db2.gz RFCGMBYDSZWDEC-JOCQHMNTSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592769449 1285694417 /nfs/dbraw/zinc/69/44/17/1285694417.db2.gz VAIYCKBNWFRPCN-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592769449 1285694423 /nfs/dbraw/zinc/69/44/23/1285694423.db2.gz VAIYCKBNWFRPCN-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM CN(C)C[C@](C)(C#N)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609266192 1289029857 /nfs/dbraw/zinc/02/98/57/1289029857.db2.gz BBFLLQUGBWSUSW-ZDUSSCGKSA-N -1 1 368.323 0.854 20 30 FCEDMM CNC(=O)CNC(=S)NN=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001609288283 1289053289 /nfs/dbraw/zinc/05/32/89/1289053289.db2.gz GWOVHMPJAVPLDS-UHFFFAOYSA-N -1 1 370.801 0.203 20 30 FCEDMM CNC(=O)CNC(=S)NN=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001609288283 1289053295 /nfs/dbraw/zinc/05/32/95/1289053295.db2.gz GWOVHMPJAVPLDS-UHFFFAOYSA-N -1 1 370.801 0.203 20 30 FCEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001600720652 1286532144 /nfs/dbraw/zinc/53/21/44/1286532144.db2.gz FAZZAXXCORVQQA-UHFFFAOYSA-N -1 1 370.413 0.379 20 30 FCEDMM N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001601048034 1286621470 /nfs/dbraw/zinc/62/14/70/1286621470.db2.gz AIQXSTHDXCXJKR-XJKSGUPXSA-N -1 1 362.455 0.910 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001602703647 1287065857 /nfs/dbraw/zinc/06/58/57/1287065857.db2.gz XFCWBPGJPUWONV-KGLIPLIRSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001602703647 1287065866 /nfs/dbraw/zinc/06/58/66/1287065866.db2.gz XFCWBPGJPUWONV-KGLIPLIRSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001602703866 1287066465 /nfs/dbraw/zinc/06/64/65/1287066465.db2.gz HJAQAJWLFGGCFI-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001602703866 1287066480 /nfs/dbraw/zinc/06/64/80/1287066480.db2.gz HJAQAJWLFGGCFI-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602703570 1287066844 /nfs/dbraw/zinc/06/68/44/1287066844.db2.gz VNSODXUKCOLXJQ-STQMWFEESA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602703570 1287066853 /nfs/dbraw/zinc/06/68/53/1287066853.db2.gz VNSODXUKCOLXJQ-STQMWFEESA-N -1 1 354.418 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/nfs/dbraw/zinc/06/93/35/1287069335.db2.gz KIOXADOQIQQRTL-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602714597 1287070690 /nfs/dbraw/zinc/07/06/90/1287070690.db2.gz WIIRKHVEPKEKOV-TZMCWYRMSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602714597 1287070702 /nfs/dbraw/zinc/07/07/02/1287070702.db2.gz WIIRKHVEPKEKOV-TZMCWYRMSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC001602714332 1287072331 /nfs/dbraw/zinc/07/23/31/1287072331.db2.gz OLKMPIQTJJFXFL-UHFFFAOYSA-N -1 1 373.442 0.734 20 30 FCEDMM C#CCN(C(=O)C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC001602714332 1287072344 /nfs/dbraw/zinc/07/23/44/1287072344.db2.gz OLKMPIQTJJFXFL-UHFFFAOYSA-N -1 1 373.442 0.734 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001602724486 1287081485 /nfs/dbraw/zinc/08/14/85/1287081485.db2.gz FZJGWAQXAXLMNU-RYUDHWBXSA-N 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C#CCOCCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602727800 1287095440 /nfs/dbraw/zinc/09/54/40/1287095440.db2.gz SRSJOQHXHOQNMK-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602727800 1287095449 /nfs/dbraw/zinc/09/54/49/1287095449.db2.gz SRSJOQHXHOQNMK-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602729555 1287096386 /nfs/dbraw/zinc/09/63/86/1287096386.db2.gz WQCCYNTWJARJRK-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602729555 1287096395 /nfs/dbraw/zinc/09/63/95/1287096395.db2.gz WQCCYNTWJARJRK-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602729379 1287096413 /nfs/dbraw/zinc/09/64/13/1287096413.db2.gz PVINDCJOFWXBDQ-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602729379 1287096419 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1287102892 /nfs/dbraw/zinc/10/28/92/1287102892.db2.gz YAHDERDJUQASQC-WAYWQWQTSA-N -1 1 374.408 0.965 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602753584 1287105785 /nfs/dbraw/zinc/10/57/85/1287105785.db2.gz QVBAHYZSJNGTTF-HAQNSBGRSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001602759645 1287106997 /nfs/dbraw/zinc/10/69/97/1287106997.db2.gz MUDSAAMHUCPMOJ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001602759645 1287107003 /nfs/dbraw/zinc/10/70/03/1287107003.db2.gz MUDSAAMHUCPMOJ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CC1 ZINC001602775273 1287110922 /nfs/dbraw/zinc/11/09/22/1287110922.db2.gz LEPBQCHKCXZICJ-OLZOCXBDSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2O)CC1 ZINC001602775273 1287110927 /nfs/dbraw/zinc/11/09/27/1287110927.db2.gz LEPBQCHKCXZICJ-OLZOCXBDSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CCC(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001602775833 1287111551 /nfs/dbraw/zinc/11/15/51/1287111551.db2.gz TWFPOAUUMYSPQB-ZDUSSCGKSA-N -1 1 354.418 0.838 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602793030 1287119048 /nfs/dbraw/zinc/11/90/48/1287119048.db2.gz KAXGJURWLSEILT-OHUAYANFSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602793030 1287119053 /nfs/dbraw/zinc/11/90/53/1287119053.db2.gz KAXGJURWLSEILT-OHUAYANFSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602795946 1287120423 /nfs/dbraw/zinc/12/04/23/1287120423.db2.gz XGSUFEZCCCDPMU-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602795946 1287120425 /nfs/dbraw/zinc/12/04/25/1287120425.db2.gz XGSUFEZCCCDPMU-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001602795649 1287120682 /nfs/dbraw/zinc/12/06/82/1287120682.db2.gz URMPBQDAKOATNN-PXAZEXFGSA-N -1 1 372.433 0.055 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001602810045 1287122343 /nfs/dbraw/zinc/12/23/43/1287122343.db2.gz ZZYJQNMKZATZGC-GFCCVEGCSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CC[C@H](CO)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001602816665 1287124105 /nfs/dbraw/zinc/12/41/05/1287124105.db2.gz RHPNZTDCBFUMOT-JTQLQIEISA-N -1 1 355.395 0.777 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001602817772 1287124662 /nfs/dbraw/zinc/12/46/62/1287124662.db2.gz PCVZMFTYLSETHC-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001602817772 1287124669 /nfs/dbraw/zinc/12/46/69/1287124669.db2.gz PCVZMFTYLSETHC-LLVKDONJSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001602817722 1287125291 /nfs/dbraw/zinc/12/52/91/1287125291.db2.gz NEFFRTVETCPIIT-LBPRGKRZSA-N -1 1 372.433 0.104 20 30 FCEDMM C=CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001602826129 1287126355 /nfs/dbraw/zinc/12/63/55/1287126355.db2.gz AFKPTDCBHIUMEW-SSDOTTSWSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001602826129 1287126356 /nfs/dbraw/zinc/12/63/56/1287126356.db2.gz AFKPTDCBHIUMEW-SSDOTTSWSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001602827218 1287126621 /nfs/dbraw/zinc/12/66/21/1287126621.db2.gz SDNHLHPDZGCJPL-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001602827218 1287126625 /nfs/dbraw/zinc/12/66/25/1287126625.db2.gz SDNHLHPDZGCJPL-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001602824346 1287126768 /nfs/dbraw/zinc/12/67/68/1287126768.db2.gz KRPQOWBTALLNDR-OLZOCXBDSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001602824346 1287126772 /nfs/dbraw/zinc/12/67/72/1287126772.db2.gz KRPQOWBTALLNDR-OLZOCXBDSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001602826803 1287126815 /nfs/dbraw/zinc/12/68/15/1287126815.db2.gz LQDLISJYTLCTME-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001602826803 1287126819 /nfs/dbraw/zinc/12/68/19/1287126819.db2.gz LQDLISJYTLCTME-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001602827447 1287127127 /nfs/dbraw/zinc/12/71/27/1287127127.db2.gz XFYZOWXVPJPACO-QGZVFWFLSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCC(=O)NC[C@]1(C)CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001602827447 1287127133 /nfs/dbraw/zinc/12/71/33/1287127133.db2.gz XFYZOWXVPJPACO-QGZVFWFLSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001602827539 1287127222 /nfs/dbraw/zinc/12/72/22/1287127222.db2.gz ZRVNQYKQKNLESL-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602827539 1287127224 /nfs/dbraw/zinc/12/72/24/1287127224.db2.gz ZRVNQYKQKNLESL-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCCC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602832517 1287128667 /nfs/dbraw/zinc/12/86/67/1287128667.db2.gz RDPMEVLLDSWPNR-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602832517 1287128673 /nfs/dbraw/zinc/12/86/73/1287128673.db2.gz RDPMEVLLDSWPNR-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCOCC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602844048 1287132290 /nfs/dbraw/zinc/13/22/90/1287132290.db2.gz GVKZPONKIAOPBB-UHFFFAOYSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602844048 1287132295 /nfs/dbraw/zinc/13/22/95/1287132295.db2.gz GVKZPONKIAOPBB-UHFFFAOYSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602844259 1287134566 /nfs/dbraw/zinc/13/45/66/1287134566.db2.gz NCEPXLIOHBUSCT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602844259 1287134570 /nfs/dbraw/zinc/13/45/70/1287134570.db2.gz NCEPXLIOHBUSCT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602845100 1287134639 /nfs/dbraw/zinc/13/46/39/1287134639.db2.gz WSCKCZRDFOKLHJ-VXGBXAGGSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CCOCC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602867172 1287139902 /nfs/dbraw/zinc/13/99/02/1287139902.db2.gz XPFSDDUWCLFSPF-UHFFFAOYSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602867969 1287142308 /nfs/dbraw/zinc/14/23/08/1287142308.db2.gz FTMAWYDONREUSJ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602867969 1287142310 /nfs/dbraw/zinc/14/23/10/1287142310.db2.gz FTMAWYDONREUSJ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001602878599 1287145834 /nfs/dbraw/zinc/14/58/34/1287145834.db2.gz DUXPLGRUNRSFPP-AOOOYVTPSA-N -1 1 370.446 0.834 20 30 FCEDMM C=CCn1cc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)nn1 ZINC001602882774 1287147501 /nfs/dbraw/zinc/14/75/01/1287147501.db2.gz SNMYLJIEZNCYFV-UHFFFAOYSA-N -1 1 353.346 0.364 20 30 FCEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602892241 1287149309 /nfs/dbraw/zinc/14/93/09/1287149309.db2.gz QFOMZPJHUOZQBY-KBPBESRZSA-N -1 1 366.429 0.948 20 30 FCEDMM CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602892241 1287149313 /nfs/dbraw/zinc/14/93/13/1287149313.db2.gz QFOMZPJHUOZQBY-KBPBESRZSA-N -1 1 366.429 0.948 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001602893967 1287151629 /nfs/dbraw/zinc/15/16/29/1287151629.db2.gz MKRUBATWNUFTSB-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001602893967 1287151631 /nfs/dbraw/zinc/15/16/31/1287151631.db2.gz MKRUBATWNUFTSB-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)[O-])CC3)n[nH]2)c1C ZINC001602939730 1287166154 /nfs/dbraw/zinc/16/61/54/1287166154.db2.gz BCSRQFDNJAKXKH-UHFFFAOYSA-N -1 1 372.429 0.918 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001602982103 1287172696 /nfs/dbraw/zinc/17/26/96/1287172696.db2.gz ODKIVZKZJZXSJZ-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001602982103 1287172701 /nfs/dbraw/zinc/17/27/01/1287172701.db2.gz ODKIVZKZJZXSJZ-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602984214 1287174426 /nfs/dbraw/zinc/17/44/26/1287174426.db2.gz UGUGAJSFOINKEL-NSHDSACASA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602984214 1287174430 /nfs/dbraw/zinc/17/44/30/1287174430.db2.gz UGUGAJSFOINKEL-NSHDSACASA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001602983013 1287174754 /nfs/dbraw/zinc/17/47/54/1287174754.db2.gz DNLGRTPAOWTSCU-NWDGAFQWSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001602983013 1287174756 /nfs/dbraw/zinc/17/47/56/1287174756.db2.gz DNLGRTPAOWTSCU-NWDGAFQWSA-N -1 1 355.406 0.682 20 30 FCEDMM CC(C)(C#N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001603034819 1287193456 /nfs/dbraw/zinc/19/34/56/1287193456.db2.gz SPJUEYUVHCALMA-UHFFFAOYSA-N -1 1 351.348 0.603 20 30 FCEDMM CC(C)(C#N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001603034819 1287193460 /nfs/dbraw/zinc/19/34/60/1287193460.db2.gz SPJUEYUVHCALMA-UHFFFAOYSA-N -1 1 351.348 0.603 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cccc(C#N)c2)c1 ZINC001604963898 1287822177 /nfs/dbraw/zinc/82/21/77/1287822177.db2.gz BSQLQGGJBJLDND-UHFFFAOYSA-N -1 1 364.321 0.570 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1C#N ZINC001609391405 1289134444 /nfs/dbraw/zinc/13/44/44/1289134444.db2.gz HQEPZPUIVIILGH-UHFFFAOYSA-N -1 1 365.405 0.205 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1C#N ZINC001609391405 1289134449 /nfs/dbraw/zinc/13/44/49/1289134449.db2.gz HQEPZPUIVIILGH-UHFFFAOYSA-N -1 1 365.405 0.205 20 30 FCEDMM COCCCN(Cc1ccncc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001605089013 1287875960 /nfs/dbraw/zinc/87/59/60/1287875960.db2.gz JEEPZYFWRMDIAY-UHFFFAOYSA-N -1 1 351.374 0.966 20 30 FCEDMM COCCCN(Cc1ccncc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001605089013 1287875965 /nfs/dbraw/zinc/87/59/65/1287875965.db2.gz JEEPZYFWRMDIAY-UHFFFAOYSA-N -1 1 351.374 0.966 20 30 FCEDMM COCc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001605133351 1287892627 /nfs/dbraw/zinc/89/26/27/1287892627.db2.gz BWQZRMUBHDHXPT-UHFFFAOYSA-N -1 1 352.358 0.398 20 30 FCEDMM COc1ccc(Cl)cc1NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001605289373 1287922302 /nfs/dbraw/zinc/92/23/02/1287922302.db2.gz WPFWHRMECBEECN-UHFFFAOYSA-N -1 1 373.764 0.818 20 30 FCEDMM CCOC(=O)[C@H]1CCCN(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001605526719 1287991318 /nfs/dbraw/zinc/99/13/18/1287991318.db2.gz RCGVZFTWQLSJDD-ZDUSSCGKSA-N -1 1 351.403 0.478 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001605582432 1288021336 /nfs/dbraw/zinc/02/13/36/1288021336.db2.gz UPPVYLPWQXYGRP-ZYHUDNBSSA-N -1 1 355.406 0.918 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001605582432 1288021337 /nfs/dbraw/zinc/02/13/37/1288021337.db2.gz UPPVYLPWQXYGRP-ZYHUDNBSSA-N -1 1 355.406 0.918 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001605583417 1288021368 /nfs/dbraw/zinc/02/13/68/1288021368.db2.gz KDYCXTDJRAXMIQ-ZDUSSCGKSA-N -1 1 352.402 0.781 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001605583417 1288021370 /nfs/dbraw/zinc/02/13/70/1288021370.db2.gz KDYCXTDJRAXMIQ-ZDUSSCGKSA-N -1 1 352.402 0.781 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC001606165487 1288195183 /nfs/dbraw/zinc/19/51/83/1288195183.db2.gz HNCOFZAGKAYDKA-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC001606165487 1288195185 /nfs/dbraw/zinc/19/51/85/1288195185.db2.gz HNCOFZAGKAYDKA-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1nsc(N2CCN(c3ncncc3C#N)CC2)c1-c1nn[n-]n1 ZINC001609464965 1289166384 /nfs/dbraw/zinc/16/63/84/1289166384.db2.gz JUSHOGSYCAWSLX-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606350743 1288267000 /nfs/dbraw/zinc/26/70/00/1288267000.db2.gz BUNGOVXVXBHMAA-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606350743 1288267005 /nfs/dbraw/zinc/26/70/05/1288267005.db2.gz BUNGOVXVXBHMAA-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001606351589 1288268215 /nfs/dbraw/zinc/26/82/15/1288268215.db2.gz WTIYGVPOHYGYEL-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001606351589 1288268222 /nfs/dbraw/zinc/26/82/22/1288268222.db2.gz WTIYGVPOHYGYEL-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC001606355414 1288270081 /nfs/dbraw/zinc/27/00/81/1288270081.db2.gz AOXMOZULZZUPPP-GHMZBOCLSA-N -1 1 355.406 0.698 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC001606355414 1288270085 /nfs/dbraw/zinc/27/00/85/1288270085.db2.gz AOXMOZULZZUPPP-GHMZBOCLSA-N -1 1 355.406 0.698 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCN1C(=O)c2ccccc2C1=O ZINC001606355470 1288270680 /nfs/dbraw/zinc/27/06/80/1288270680.db2.gz CTNXTHFXJKFOJE-UHFFFAOYSA-N -1 1 363.341 0.203 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCCN1C(=O)c2ccccc2C1=O ZINC001606355470 1288270684 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N#Cc1ccc(N2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001606372619 1288276837 /nfs/dbraw/zinc/27/68/37/1288276837.db2.gz HCGGZTNGZRIHPF-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1ccc(N2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001606372619 1288276839 /nfs/dbraw/zinc/27/68/39/1288276839.db2.gz HCGGZTNGZRIHPF-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1ncc(N2CCN(CC(F)(F)C(F)F)CC2)nc1-c1nn[n-]n1 ZINC001606397169 1288286039 /nfs/dbraw/zinc/28/60/39/1288286039.db2.gz JRATYMPHBJVGSJ-UHFFFAOYSA-N -1 1 371.302 0.551 20 30 FCEDMM N#Cc1ncc(NCCc2cc(-c3ccncc3)n[nH]2)nc1-c1nn[n-]n1 ZINC001606398009 1288286687 /nfs/dbraw/zinc/28/66/87/1288286687.db2.gz HGIKDMWEYCOERA-UHFFFAOYSA-N -1 1 359.357 0.968 20 30 FCEDMM C=CCNC(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001609057472 1288891552 /nfs/dbraw/zinc/89/15/52/1288891552.db2.gz VFAXFUFVUOFUGQ-NSHDSACASA-N -1 1 372.433 0.545 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001609077363 1288907201 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[NH3+]CCC[N@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(CC1)OCCO2 ZINC001255620717 858025020 /nfs/dbraw/zinc/02/50/20/858025020.db2.gz QWZVRAPZFRKNHI-LBPRGKRZSA-N -1 1 370.408 0.688 20 30 FCEDMM [NH3+]CCC[N@@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(CC1)OCCO2 ZINC001255620717 858025032 /nfs/dbraw/zinc/02/50/32/858025032.db2.gz QWZVRAPZFRKNHI-LBPRGKRZSA-N -1 1 370.408 0.688 20 30 FCEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)C(N)=O ZINC001260494115 858376165 /nfs/dbraw/zinc/37/61/65/858376165.db2.gz NXOPBJIMOXBKNK-BYPYZUCNSA-N -1 1 358.626 0.820 20 30 FCEDMM C=CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1c[nH]c(=S)[n-]c1=O)C2 ZINC001273873003 860623150 /nfs/dbraw/zinc/62/31/50/860623150.db2.gz COHUAAPHNCOCAG-MRXNPFEDSA-N -1 1 364.427 0.348 20 30 FCEDMM C#CCN1C(=O)C[C@@]2(CCCN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)C1=O ZINC001273874256 860624789 /nfs/dbraw/zinc/62/47/89/860624789.db2.gz UXWNLSHSTHFRGC-MRXNPFEDSA-N -1 1 360.395 0.085 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)[N-]CCN2Cc3ccccc3OCC2=O)o1 ZINC001309844135 866924052 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1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573283828 946726826 /nfs/dbraw/zinc/72/68/26/946726826.db2.gz YPOUCQSWYLFNMB-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573286885 946820072 /nfs/dbraw/zinc/82/00/72/946820072.db2.gz JOUYBNLSQQOCBR-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286885 946820084 /nfs/dbraw/zinc/82/00/84/946820084.db2.gz JOUYBNLSQQOCBR-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001573286808 946820795 /nfs/dbraw/zinc/82/07/95/946820795.db2.gz BJADOSTVDIRQFM-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573287635 946842771 /nfs/dbraw/zinc/84/27/71/946842771.db2.gz OOJJZOYISAMHMJ-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573287635 946842781 /nfs/dbraw/zinc/84/27/81/946842781.db2.gz OOJJZOYISAMHMJ-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573290396 946906226 /nfs/dbraw/zinc/90/62/26/946906226.db2.gz XYVAWIVMEXCQDM-UHFFFAOYSA-N -1 1 369.838 0.569 20 30 FCEDMM C#CCOCCC(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573290396 946906229 /nfs/dbraw/zinc/90/62/29/946906229.db2.gz XYVAWIVMEXCQDM-UHFFFAOYSA-N -1 1 369.838 0.569 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001573291664 946922242 /nfs/dbraw/zinc/92/22/42/946922242.db2.gz HBHPRMJQWMAWIF-UHFFFAOYSA-N -1 1 363.385 0.208 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001573291664 946922247 /nfs/dbraw/zinc/92/22/47/946922247.db2.gz HBHPRMJQWMAWIF-UHFFFAOYSA-N -1 1 363.385 0.208 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)OCC ZINC001573292975 946944795 /nfs/dbraw/zinc/94/47/95/946944795.db2.gz IBJWDXZAJSHXBT-STQMWFEESA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)OCC ZINC001573292975 946944806 /nfs/dbraw/zinc/94/48/06/946944806.db2.gz IBJWDXZAJSHXBT-STQMWFEESA-N -1 1 374.449 0.969 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573569823 947079292 /nfs/dbraw/zinc/07/92/92/947079292.db2.gz FVCRZAKHFSMGAL-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573569823 947079304 /nfs/dbraw/zinc/07/93/04/947079304.db2.gz FVCRZAKHFSMGAL-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573571995 947106263 /nfs/dbraw/zinc/10/62/63/947106263.db2.gz CQPOHZSYODYNGI-UVWXRNBGSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573571994 947106430 /nfs/dbraw/zinc/10/64/30/947106430.db2.gz CQPOHZSYODYNGI-OHUAYANFSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573575347 947137192 /nfs/dbraw/zinc/13/71/92/947137192.db2.gz XNIIOJQDGAEXAB-CMPLNLGQSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573575347 947137200 /nfs/dbraw/zinc/13/72/00/947137200.db2.gz XNIIOJQDGAEXAB-CMPLNLGQSA-N -1 1 353.390 0.291 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573305237 947152870 /nfs/dbraw/zinc/15/28/70/947152870.db2.gz NXYOVVQVWYCVCZ-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573305237 947152873 /nfs/dbraw/zinc/15/28/73/947152873.db2.gz NXYOVVQVWYCVCZ-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573305790 947160608 /nfs/dbraw/zinc/16/06/08/947160608.db2.gz VJVWHBWDTJXSAP-RYUDHWBXSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573305788 947161012 /nfs/dbraw/zinc/16/10/12/947161012.db2.gz VJVWHBWDTJXSAP-NWDGAFQWSA-N -1 1 356.434 0.988 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573577422 947166426 /nfs/dbraw/zinc/16/64/26/947166426.db2.gz PDRFISGUEUAAEM-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573577422 947166431 /nfs/dbraw/zinc/16/64/31/947166431.db2.gz PDRFISGUEUAAEM-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573577977 947178929 /nfs/dbraw/zinc/17/89/29/947178929.db2.gz WQDHUUKNXQSTSJ-YPMHNXCESA-N -1 1 363.385 0.508 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573578184 947184216 /nfs/dbraw/zinc/18/42/16/947184216.db2.gz ZSNPTLGKJXHEPP-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573578184 947184226 /nfs/dbraw/zinc/18/42/26/947184226.db2.gz ZSNPTLGKJXHEPP-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1nccnc1-c1nnn[n-]1 ZINC001573309284 947195562 /nfs/dbraw/zinc/19/55/62/947195562.db2.gz GJCNYUSNCIIBNE-MRXNPFEDSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1nccnc1-c1nn[n-]n1 ZINC001573309284 947195568 /nfs/dbraw/zinc/19/55/68/947195568.db2.gz GJCNYUSNCIIBNE-MRXNPFEDSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309274 947196100 /nfs/dbraw/zinc/19/61/00/947196100.db2.gz GGSJFUGNQZKRND-JTGQJZMRSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309274 947196112 /nfs/dbraw/zinc/19/61/12/947196112.db2.gz GGSJFUGNQZKRND-JTGQJZMRSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309521 947203071 /nfs/dbraw/zinc/20/30/71/947203071.db2.gz JWIBUKUMSAQXEW-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573309521 947203085 /nfs/dbraw/zinc/20/30/85/947203085.db2.gz JWIBUKUMSAQXEW-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573583439 947203938 /nfs/dbraw/zinc/20/39/38/947203938.db2.gz LUOOJRYZRSSVKR-IJLUTSLNSA-N -1 1 355.406 0.395 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573309562 947204081 /nfs/dbraw/zinc/20/40/81/947204081.db2.gz KQQOSDBINIFICM-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573309562 947204090 /nfs/dbraw/zinc/20/40/90/947204090.db2.gz KQQOSDBINIFICM-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573309658 947205201 /nfs/dbraw/zinc/20/52/01/947205201.db2.gz MLFQGLHCZHUYGO-SJCJKPOMSA-N -1 1 374.449 0.566 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573309660 947206344 /nfs/dbraw/zinc/20/63/44/947206344.db2.gz MLFQGLHCZHUYGO-YVEFUNNKSA-N -1 1 374.449 0.566 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309957 947212820 /nfs/dbraw/zinc/21/28/20/947212820.db2.gz QGPXVRQYRBUISJ-JKDFXYPNSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573309957 947212826 /nfs/dbraw/zinc/21/28/26/947212826.db2.gz QGPXVRQYRBUISJ-JKDFXYPNSA-N -1 1 372.433 0.945 20 30 FCEDMM CCO[C@@H](CNc1ccc(C#N)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825576652 947237141 /nfs/dbraw/zinc/23/71/41/947237141.db2.gz MSKNROMQIPDDOH-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@@H](CNc1ccc(C#N)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825576652 947237153 /nfs/dbraw/zinc/23/71/53/947237153.db2.gz MSKNROMQIPDDOH-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573314922 947240834 /nfs/dbraw/zinc/24/08/34/947240834.db2.gz HWILWJVPTIKHRT-VXGBXAGGSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573314922 947240844 /nfs/dbraw/zinc/24/08/44/947240844.db2.gz HWILWJVPTIKHRT-VXGBXAGGSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573316367 947273546 /nfs/dbraw/zinc/27/35/46/947273546.db2.gz WDZFUXRHZFBDAZ-STQMWFEESA-N -1 1 374.449 0.515 20 30 FCEDMM CN(C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000825820710 947340768 /nfs/dbraw/zinc/34/07/68/947340768.db2.gz PXHHWCSBFYPGDC-UHFFFAOYSA-N -1 1 353.302 0.506 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573325304 947357842 /nfs/dbraw/zinc/35/78/42/947357842.db2.gz ALODIHWHPNBIIP-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573325304 947357851 /nfs/dbraw/zinc/35/78/51/947357851.db2.gz ALODIHWHPNBIIP-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573335593 947483329 /nfs/dbraw/zinc/48/33/29/947483329.db2.gz AWUWVUVPVJMPAL-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335734 947486753 /nfs/dbraw/zinc/48/67/53/947486753.db2.gz CTJHZKZTHJCJLF-MBNYWOFBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335734 947486759 /nfs/dbraw/zinc/48/67/59/947486759.db2.gz CTJHZKZTHJCJLF-MBNYWOFBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573335829 947489091 /nfs/dbraw/zinc/48/90/91/947489091.db2.gz FBNHTEJVWBSTCC-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573335829 947489097 /nfs/dbraw/zinc/48/90/97/947489097.db2.gz FBNHTEJVWBSTCC-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573336007 947494864 /nfs/dbraw/zinc/49/48/64/947494864.db2.gz YUTAAQRAAQHQFJ-NEPJUHHUSA-N -1 1 360.422 0.319 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573337606 947517772 /nfs/dbraw/zinc/51/77/72/947517772.db2.gz ZBLWMBIFGSQRQP-QGZVFWFLSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573337606 947517782 /nfs/dbraw/zinc/51/77/82/947517782.db2.gz ZBLWMBIFGSQRQP-QGZVFWFLSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573342706 947545713 /nfs/dbraw/zinc/54/57/13/947545713.db2.gz AJAGZJNNTCWRQM-ZDUSSCGKSA-N -1 1 360.422 0.720 20 30 FCEDMM C=CCOCC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573342706 947545718 /nfs/dbraw/zinc/54/57/18/947545718.db2.gz AJAGZJNNTCWRQM-ZDUSSCGKSA-N -1 1 360.422 0.720 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573343437 947557387 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C[C@@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574543111 1271323976 /nfs/dbraw/zinc/32/39/76/1271323976.db2.gz PKFIZIJVDIRAEJ-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546505 1271336550 /nfs/dbraw/zinc/33/65/50/1271336550.db2.gz XTYPQZCVADOPTA-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546505 1271336554 /nfs/dbraw/zinc/33/65/54/1271336554.db2.gz XTYPQZCVADOPTA-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574795150 1271531662 /nfs/dbraw/zinc/53/16/62/1271531662.db2.gz GLVUUHWQBJSFEZ-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574795150 1271531665 /nfs/dbraw/zinc/53/16/65/1271531665.db2.gz GLVUUHWQBJSFEZ-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811989 1271553854 /nfs/dbraw/zinc/55/38/54/1271553854.db2.gz BMJJGLYLXMOGOI-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811989 1271553862 /nfs/dbraw/zinc/55/38/62/1271553862.db2.gz BMJJGLYLXMOGOI-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575314014 1271911028 /nfs/dbraw/zinc/91/10/28/1271911028.db2.gz KLPRSWPDWXNHCS-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575314014 1271911035 /nfs/dbraw/zinc/91/10/35/1271911035.db2.gz KLPRSWPDWXNHCS-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575320877 1271925295 /nfs/dbraw/zinc/92/52/95/1271925295.db2.gz XHXKGIMIYRXSBG-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001575320877 1271925304 /nfs/dbraw/zinc/92/53/04/1271925304.db2.gz XHXKGIMIYRXSBG-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001580673225 1278688928 /nfs/dbraw/zinc/68/89/28/1278688928.db2.gz DFDYMCYVEPEBQS-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001580673225 1278688929 /nfs/dbraw/zinc/68/89/29/1278688929.db2.gz DFDYMCYVEPEBQS-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001575727151 1272389855 /nfs/dbraw/zinc/38/98/55/1272389855.db2.gz QAXCPMWPQXXANQ-CQSZACIVSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001575727151 1272389865 /nfs/dbraw/zinc/38/98/65/1272389865.db2.gz QAXCPMWPQXXANQ-CQSZACIVSA-N -1 1 366.429 0.791 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001580677607 1278702504 /nfs/dbraw/zinc/70/25/04/1278702504.db2.gz IYXLDWRMGUXQTK-MOCULFSLSA-N -1 1 367.417 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001580677607 1278702519 /nfs/dbraw/zinc/70/25/19/1278702519.db2.gz IYXLDWRMGUXQTK-MOCULFSLSA-N -1 1 367.417 0.600 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)n1 ZINC001580679488 1278703679 /nfs/dbraw/zinc/70/36/79/1278703679.db2.gz YCJCXAWWRNBYHZ-CKYFFXLPSA-N -1 1 355.406 0.313 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)n1 ZINC001580679488 1278703682 /nfs/dbraw/zinc/70/36/82/1278703682.db2.gz YCJCXAWWRNBYHZ-CKYFFXLPSA-N -1 1 355.406 0.313 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575824919 1272485372 /nfs/dbraw/zinc/48/53/72/1272485372.db2.gz DTLKHQJZSLCVKY-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575824919 1272485377 /nfs/dbraw/zinc/48/53/77/1272485377.db2.gz DTLKHQJZSLCVKY-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575827454 1272490680 /nfs/dbraw/zinc/49/06/80/1272490680.db2.gz RAOFSRYUVMKVOK-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575827454 1272490683 /nfs/dbraw/zinc/49/06/83/1272490683.db2.gz RAOFSRYUVMKVOK-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576264398 1273055109 /nfs/dbraw/zinc/05/51/09/1273055109.db2.gz QBFUJWQIZXOOSL-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576264398 1273055118 /nfs/dbraw/zinc/05/51/18/1273055118.db2.gz QBFUJWQIZXOOSL-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576291222 1273102476 /nfs/dbraw/zinc/10/24/76/1273102476.db2.gz KHKDHXHUIPNPBG-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576291222 1273102480 /nfs/dbraw/zinc/10/24/80/1273102480.db2.gz KHKDHXHUIPNPBG-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(C#N)ccn1 ZINC001576364548 1273187532 /nfs/dbraw/zinc/18/75/32/1273187532.db2.gz MDYIHHCTOWQAJS-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(C#N)ccn1 ZINC001576364548 1273187539 /nfs/dbraw/zinc/18/75/39/1273187539.db2.gz MDYIHHCTOWQAJS-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580720219 1278798007 /nfs/dbraw/zinc/79/80/07/1278798007.db2.gz QTFGMCCDMXXHDT-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580720219 1278798015 /nfs/dbraw/zinc/79/80/15/1278798015.db2.gz QTFGMCCDMXXHDT-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576862267 1273825293 /nfs/dbraw/zinc/82/52/93/1273825293.db2.gz INSLHUYMSHCBQF-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576862267 1273825301 /nfs/dbraw/zinc/82/53/01/1273825301.db2.gz INSLHUYMSHCBQF-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576886485 1273876491 /nfs/dbraw/zinc/87/64/91/1273876491.db2.gz SYDSYGAENXGJAK-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576886485 1273876498 /nfs/dbraw/zinc/87/64/98/1273876498.db2.gz SYDSYGAENXGJAK-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523666 1274468824 /nfs/dbraw/zinc/46/88/24/1274468824.db2.gz YZSCQOLUKCLRCN-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523666 1274468831 /nfs/dbraw/zinc/46/88/31/1274468831.db2.gz YZSCQOLUKCLRCN-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577783476 1274879975 /nfs/dbraw/zinc/87/99/75/1274879975.db2.gz KWWKJGLEGKMRSN-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577783476 1274879982 /nfs/dbraw/zinc/87/99/82/1274879982.db2.gz KWWKJGLEGKMRSN-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577784377 1274880691 /nfs/dbraw/zinc/88/06/91/1274880691.db2.gz XQRPTFUASWOWJJ-JQWIXIFHSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577784377 1274880698 /nfs/dbraw/zinc/88/06/98/1274880698.db2.gz XQRPTFUASWOWJJ-JQWIXIFHSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001577916708 1275121661 /nfs/dbraw/zinc/12/16/61/1275121661.db2.gz JVCDSVOEQVADEA-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001577916708 1275121664 /nfs/dbraw/zinc/12/16/64/1275121664.db2.gz JVCDSVOEQVADEA-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCO[C@H]1C[C@H](O)C12CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001578335500 1275684123 /nfs/dbraw/zinc/68/41/23/1275684123.db2.gz RNGIKALUKGRUPK-RYUDHWBXSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@H]1C[C@H](O)C12CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001578335500 1275684129 /nfs/dbraw/zinc/68/41/29/1275684129.db2.gz RNGIKALUKGRUPK-RYUDHWBXSA-N -1 1 356.390 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578567951 1275999051 /nfs/dbraw/zinc/99/90/51/1275999051.db2.gz NKLDHVOZUWIBCK-NEPJUHHUSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578567951 1275999055 /nfs/dbraw/zinc/99/90/55/1275999055.db2.gz NKLDHVOZUWIBCK-NEPJUHHUSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001578599339 1276031216 /nfs/dbraw/zinc/03/12/16/1276031216.db2.gz KYRSKBBIWGMXJF-DCQANWLSSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001578599339 1276031220 /nfs/dbraw/zinc/03/12/20/1276031220.db2.gz KYRSKBBIWGMXJF-DCQANWLSSA-N -1 1 367.417 0.605 20 30 FCEDMM CCN1C(=O)N=NC1C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001578735996 1276213939 /nfs/dbraw/zinc/21/39/39/1276213939.db2.gz KGDIHBZKWNXFNO-UHFFFAOYSA-N -1 1 367.377 0.229 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578901099 1276441780 /nfs/dbraw/zinc/44/17/80/1276441780.db2.gz LFOGAGJWZGBQFG-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578901099 1276441785 /nfs/dbraw/zinc/44/17/85/1276441785.db2.gz LFOGAGJWZGBQFG-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578921405 1276463771 /nfs/dbraw/zinc/46/37/71/1276463771.db2.gz POTMJDZHIYUCFP-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578921405 1276463775 /nfs/dbraw/zinc/46/37/75/1276463775.db2.gz POTMJDZHIYUCFP-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579112037 1276775517 /nfs/dbraw/zinc/77/55/17/1276775517.db2.gz HEDBFGXYTVDKHV-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579112037 1276775521 /nfs/dbraw/zinc/77/55/21/1276775521.db2.gz HEDBFGXYTVDKHV-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579148196 1276880322 /nfs/dbraw/zinc/88/03/22/1276880322.db2.gz KQUMSVOFUWZSFC-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(Cc1nnc2n1CCCCC2)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579265660 1277061682 /nfs/dbraw/zinc/06/16/82/1277061682.db2.gz MKCZGAKLIPJRMZ-UHFFFAOYSA-N -1 1 351.378 0.483 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579276447 1277086089 /nfs/dbraw/zinc/08/60/89/1277086089.db2.gz VOQZRAZPRUHTQH-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579276447 1277086095 /nfs/dbraw/zinc/08/60/95/1277086095.db2.gz VOQZRAZPRUHTQH-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)CCc1ccccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001579449373 1277339927 /nfs/dbraw/zinc/33/99/27/1277339927.db2.gz YBLOKAPJRPTDML-UHFFFAOYSA-N -1 1 366.341 0.819 20 30 FCEDMM COC(=O)[C@@H](CNc1cnc(-c2nnn[n-]2)c(C#N)n1)Oc1ccccc1 ZINC001579466030 1277361594 /nfs/dbraw/zinc/36/15/94/1277361594.db2.gz XDYRTBDKHNQCOU-GFCCVEGCSA-N -1 1 366.341 0.561 20 30 FCEDMM COC(=O)[C@@H](CNc1cnc(-c2nn[n-]n2)c(C#N)n1)Oc1ccccc1 ZINC001579466030 1277361604 /nfs/dbraw/zinc/36/16/04/1277361604.db2.gz XDYRTBDKHNQCOU-GFCCVEGCSA-N -1 1 366.341 0.561 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC001603087265 1287307465 /nfs/dbraw/zinc/30/74/65/1287307465.db2.gz QSQNCFINEMIOEI-UHFFFAOYSA-N -1 1 359.350 0.267 20 30 FCEDMM COCc1ccc([C@H]2COCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)o1 ZINC001579831152 1277926669 /nfs/dbraw/zinc/92/66/69/1277926669.db2.gz BRPQTNQHYIHWMA-GFCCVEGCSA-N -1 1 368.357 0.846 20 30 FCEDMM COc1ccc2c(c1)OCC(C(=O)Nc1nc(-c3nn[nH]n3)c(C#N)[n-]1)=C2 ZINC001580050261 1277999419 /nfs/dbraw/zinc/99/94/19/1277999419.db2.gz NXTQZIFKIPFJBR-UHFFFAOYSA-N -1 1 364.325 0.885 20 30 FCEDMM CS(=O)(=O)C1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCCC1 ZINC001580155216 1278022686 /nfs/dbraw/zinc/02/26/86/1278022686.db2.gz SLKWBBBXOKMANE-UHFFFAOYSA-N -1 1 362.419 0.688 20 30 FCEDMM CS(=O)(=O)C1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCCCC1 ZINC001580155216 1278022689 /nfs/dbraw/zinc/02/26/89/1278022689.db2.gz SLKWBBBXOKMANE-UHFFFAOYSA-N -1 1 362.419 0.688 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001580252305 1278055641 /nfs/dbraw/zinc/05/56/41/1278055641.db2.gz ZHNNLBCVTMSNKD-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001580252305 1278055648 /nfs/dbraw/zinc/05/56/48/1278055648.db2.gz ZHNNLBCVTMSNKD-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC(C)C#CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001603186502 1287324419 /nfs/dbraw/zinc/32/44/19/1287324419.db2.gz SLTQTHWTYRRLSX-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001603186502 1287324422 /nfs/dbraw/zinc/32/44/22/1287324422.db2.gz SLTQTHWTYRRLSX-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001603188648 1287325030 /nfs/dbraw/zinc/32/50/30/1287325030.db2.gz AYNZZPBOSYYGDZ-CHWSQXEVSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001603188648 1287325033 /nfs/dbraw/zinc/32/50/33/1287325033.db2.gz AYNZZPBOSYYGDZ-CHWSQXEVSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603188611 1287325196 /nfs/dbraw/zinc/32/51/96/1287325196.db2.gz AFBJHRRDDNCUAJ-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603188611 1287325201 /nfs/dbraw/zinc/32/52/01/1287325201.db2.gz AFBJHRRDDNCUAJ-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM Cc1ccc(C2=NO[C@@H](C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)C2)cc1 ZINC001581182515 1279484762 /nfs/dbraw/zinc/48/47/62/1279484762.db2.gz HHOUPIYKIKSVCB-GFCCVEGCSA-N -1 1 363.341 0.902 20 30 FCEDMM CC(C)N(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603320268 1287355216 /nfs/dbraw/zinc/35/52/16/1287355216.db2.gz LTWMKKIBUMBJNX-UHFFFAOYSA-N -1 1 373.421 0.907 20 30 FCEDMM CC(C)N(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603320268 1287355217 /nfs/dbraw/zinc/35/52/17/1287355217.db2.gz LTWMKKIBUMBJNX-UHFFFAOYSA-N -1 1 373.421 0.907 20 30 FCEDMM C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001603483914 1287387677 /nfs/dbraw/zinc/38/76/77/1287387677.db2.gz ZHNNLBCVTMSNKD-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001603483914 1287387681 /nfs/dbraw/zinc/38/76/81/1287387681.db2.gz ZHNNLBCVTMSNKD-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1nc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)sc1C ZINC001581480628 1280018872 /nfs/dbraw/zinc/01/88/72/1280018872.db2.gz AQCNQIDYFCDMOH-UHFFFAOYSA-N -1 1 368.430 0.928 20 30 FCEDMM Cc1nc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)sc1C ZINC001581480628 1280018877 /nfs/dbraw/zinc/01/88/77/1280018877.db2.gz AQCNQIDYFCDMOH-UHFFFAOYSA-N -1 1 368.430 0.928 20 30 FCEDMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H](C)C#N)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001581668040 1280376569 /nfs/dbraw/zinc/37/65/69/1280376569.db2.gz XGHIWIZXJZLIEL-DMLMCSCLSA-N -1 1 358.431 0.590 20 30 FCEDMM Cc1nsc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1nnn[n-]1 ZINC001581682353 1280387585 /nfs/dbraw/zinc/38/75/85/1280387585.db2.gz OHEHDXXELQWSJV-UFBFGSQYSA-N -1 1 351.417 0.006 20 30 FCEDMM Cc1nsc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1nn[n-]n1 ZINC001581682353 1280387593 /nfs/dbraw/zinc/38/75/93/1280387593.db2.gz OHEHDXXELQWSJV-UFBFGSQYSA-N -1 1 351.417 0.006 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001581838666 1280591929 /nfs/dbraw/zinc/59/19/29/1280591929.db2.gz ZXVFIZGNOOTQLT-SKDRFNHKSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CCc1cccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001581859727 1280610803 /nfs/dbraw/zinc/61/08/03/1280610803.db2.gz RYOFDMHXLPXUFJ-UHFFFAOYSA-N -1 1 361.412 0.868 20 30 FCEDMM N#CCc1cccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001581859727 1280610813 /nfs/dbraw/zinc/61/08/13/1280610813.db2.gz RYOFDMHXLPXUFJ-UHFFFAOYSA-N -1 1 361.412 0.868 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)nc1-c1nn[nH]n1 ZINC001581860016 1280610950 /nfs/dbraw/zinc/61/09/50/1280610950.db2.gz HDPYNLMHAROETF-SCZZXKLOSA-N -1 1 374.361 0.101 20 30 FCEDMM N#C[C@@]12CN(Cc3csc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581859411 1280611742 /nfs/dbraw/zinc/61/17/42/1280611742.db2.gz GOOQEUNJZDVUCU-GWCFXTLKSA-N -1 1 350.429 0.298 20 30 FCEDMM N#C[C@]12CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]1CS(=O)(=O)C2 ZINC001581860424 1280613739 /nfs/dbraw/zinc/61/37/39/1280613739.db2.gz ZODUVVNUJIEMNJ-UPONEAKYSA-N -1 1 371.835 0.351 20 30 FCEDMM N#C[C@]12CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]1CS(=O)(=O)C2 ZINC001581860424 1280613746 /nfs/dbraw/zinc/61/37/46/1280613746.db2.gz ZODUVVNUJIEMNJ-UPONEAKYSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)nc1-c1nn[nH]n1 ZINC001581860821 1280614028 /nfs/dbraw/zinc/61/40/28/1280614028.db2.gz UZCQMJLUJIPAMU-UHFFFAOYSA-N -1 1 365.235 0.833 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H]2CCC3(CCOCC3)CO2)nc1-c1nn[nH]n1 ZINC001581860329 1280614088 /nfs/dbraw/zinc/61/40/88/1280614088.db2.gz VVPCCDIDKGUBJY-SNVBAGLBSA-N -1 1 372.389 0.766 20 30 FCEDMM N#Cc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc2n1CCOC2 ZINC001581861072 1280614433 /nfs/dbraw/zinc/61/44/33/1280614433.db2.gz IEOLNCDFMMBVRS-UHFFFAOYSA-N -1 1 351.330 0.041 20 30 FCEDMM N#Cc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc2n1CCOC2 ZINC001581861072 1280614436 /nfs/dbraw/zinc/61/44/36/1280614436.db2.gz IEOLNCDFMMBVRS-UHFFFAOYSA-N -1 1 351.330 0.041 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864509 1280617205 /nfs/dbraw/zinc/61/72/05/1280617205.db2.gz ZFOTUQMCPCZTLG-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864509 1280617214 /nfs/dbraw/zinc/61/72/14/1280617214.db2.gz ZFOTUQMCPCZTLG-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864898 1280617589 /nfs/dbraw/zinc/61/75/89/1280617589.db2.gz UPYOLNNNOIUJEI-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864898 1280617593 /nfs/dbraw/zinc/61/75/93/1280617593.db2.gz UPYOLNNNOIUJEI-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cs1 ZINC001581864782 1280617948 /nfs/dbraw/zinc/61/79/48/1280617948.db2.gz NXOSZZBVMYFHOH-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cs1 ZINC001581864782 1280617959 /nfs/dbraw/zinc/61/79/59/1280617959.db2.gz NXOSZZBVMYFHOH-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c[nH]1 ZINC001581864807 1280618082 /nfs/dbraw/zinc/61/80/82/1280618082.db2.gz OZQYEYFOWFSOGI-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581864807 1280618092 /nfs/dbraw/zinc/61/80/92/1280618092.db2.gz OZQYEYFOWFSOGI-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)c[nH]1 ZINC001581866096 1280620884 /nfs/dbraw/zinc/62/08/84/1280620884.db2.gz RYTKFAXICQOKHN-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)c[nH]1 ZINC001581866096 1280620888 /nfs/dbraw/zinc/62/08/88/1280620888.db2.gz RYTKFAXICQOKHN-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867744 1280622268 /nfs/dbraw/zinc/62/22/68/1280622268.db2.gz UITSNBVBDFRQCG-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867744 1280622275 /nfs/dbraw/zinc/62/22/75/1280622275.db2.gz UITSNBVBDFRQCG-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)[nH]1 ZINC001581868180 1280624732 /nfs/dbraw/zinc/62/47/32/1280624732.db2.gz LZGFPRZQPNXBKC-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)[nH]1 ZINC001581868180 1280624737 /nfs/dbraw/zinc/62/47/37/1280624737.db2.gz LZGFPRZQPNXBKC-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581868991 1280625789 /nfs/dbraw/zinc/62/57/89/1280625789.db2.gz CZLVUYYGOBHXDG-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581868991 1280625795 /nfs/dbraw/zinc/62/57/95/1280625795.db2.gz CZLVUYYGOBHXDG-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001581868521 1280625839 /nfs/dbraw/zinc/62/58/39/1280625839.db2.gz WDJDAXJYHZROJE-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001581868521 1280625845 /nfs/dbraw/zinc/62/58/45/1280625845.db2.gz WDJDAXJYHZROJE-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccnc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)c1 ZINC001581877249 1280632259 /nfs/dbraw/zinc/63/22/59/1280632259.db2.gz ZCSYIIUGBLROKU-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1ccnc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)c1 ZINC001581877249 1280632266 /nfs/dbraw/zinc/63/22/66/1280632266.db2.gz ZCSYIIUGBLROKU-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1nc(N2CC[C@]3(C2)c2ccccc2NC3=O)cnc1-c1nnn[n-]1 ZINC001581879277 1280637995 /nfs/dbraw/zinc/63/79/95/1280637995.db2.gz FALUUBQUMIFVLN-KRWDZBQOSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1nc(N2CC[C@]3(C2)c2ccccc2NC3=O)cnc1-c1nn[n-]n1 ZINC001581879277 1280638007 /nfs/dbraw/zinc/63/80/07/1280638007.db2.gz FALUUBQUMIFVLN-KRWDZBQOSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1nc(N2CCN(c3ncccc3F)CC2)cnc1-c1nnn[n-]1 ZINC001581879403 1280638151 /nfs/dbraw/zinc/63/81/51/1280638151.db2.gz JYYZVQGZHPEUPK-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1nc(N2CCN(c3ncccc3F)CC2)cnc1-c1nn[n-]n1 ZINC001581879403 1280638159 /nfs/dbraw/zinc/63/81/59/1280638159.db2.gz JYYZVQGZHPEUPK-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1nc(NCCS(=O)(=O)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001581881014 1280639764 /nfs/dbraw/zinc/63/97/64/1280639764.db2.gz DWDVYBWJWJSVSV-UHFFFAOYSA-N -1 1 356.371 0.414 20 30 FCEDMM N#Cc1nc(NCCS(=O)(=O)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001581881014 1280639768 /nfs/dbraw/zinc/63/97/68/1280639768.db2.gz DWDVYBWJWJSVSV-UHFFFAOYSA-N -1 1 356.371 0.414 20 30 FCEDMM N#Cc1nc(NCC(=O)N2CCCc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880523 1280639967 /nfs/dbraw/zinc/63/99/67/1280639967.db2.gz NAHBQQGNSHQXGD-UHFFFAOYSA-N -1 1 361.369 0.920 20 30 FCEDMM N#Cc1nc(NCC(=O)N2CCCc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880523 1280639973 /nfs/dbraw/zinc/63/99/73/1280639973.db2.gz NAHBQQGNSHQXGD-UHFFFAOYSA-N -1 1 361.369 0.920 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880575 1280641180 /nfs/dbraw/zinc/64/11/80/1280641180.db2.gz OXICUZBMHVUMOF-LBPRGKRZSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880575 1280641188 /nfs/dbraw/zinc/64/11/88/1280641188.db2.gz OXICUZBMHVUMOF-LBPRGKRZSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1ncc(N2CC[C@]3(C2)c2ccccc2NC3=O)nc1-c1nn[n-]n1 ZINC001581881987 1280642157 /nfs/dbraw/zinc/64/21/57/1280642157.db2.gz HIPMNRNVPYFPOI-KRWDZBQOSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1ncc(NC[C@H](n2cncn2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581883436 1280646122 /nfs/dbraw/zinc/64/61/22/1280646122.db2.gz ZPZIDUWEYCAYNG-ZETCQYMHSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1ncc(N2CCS(=O)(=O)c3ccccc3C2)nc1-c1nn[n-]n1 ZINC001581883260 1280646168 /nfs/dbraw/zinc/64/61/68/1280646168.db2.gz UDBPOLHVZVCXJP-UHFFFAOYSA-N -1 1 368.382 0.322 20 30 FCEDMM N#Cc1ncc(NCCn2ccc(C(F)(F)F)n2)nc1-c1nn[n-]n1 ZINC001581884031 1280650029 /nfs/dbraw/zinc/65/00/29/1280650029.db2.gz HSSHXBFIJJHQOI-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM N#Cc1ncc(NCCN2C[C@@H]3CCCCN3C2=O)nc1-c1nn[n-]n1 ZINC001581884421 1280650706 /nfs/dbraw/zinc/65/07/06/1280650706.db2.gz ZCYFLGLXZCCBCK-JTQLQIEISA-N -1 1 354.378 0.230 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581912568 1280715214 /nfs/dbraw/zinc/71/52/14/1280715214.db2.gz PSKDAPLDJKTQOB-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581912568 1280715221 /nfs/dbraw/zinc/71/52/21/1280715221.db2.gz PSKDAPLDJKTQOB-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603637355 1287451806 /nfs/dbraw/zinc/45/18/06/1287451806.db2.gz AYQVXBACCDPAKY-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603637355 1287451810 /nfs/dbraw/zinc/45/18/10/1287451810.db2.gz AYQVXBACCDPAKY-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603637357 1287452354 /nfs/dbraw/zinc/45/23/54/1287452354.db2.gz AYQVXBACCDPAKY-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603637357 1287452360 /nfs/dbraw/zinc/45/23/60/1287452360.db2.gz AYQVXBACCDPAKY-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685659 1287469107 /nfs/dbraw/zinc/46/91/07/1287469107.db2.gz AIKHQXWFYQZPRK-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685659 1287469111 /nfs/dbraw/zinc/46/91/11/1287469111.db2.gz AIKHQXWFYQZPRK-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687268 1287470120 /nfs/dbraw/zinc/47/01/20/1287470120.db2.gz RPIRSVBIZGNRAN-FZMZJTMJSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687268 1287470125 /nfs/dbraw/zinc/47/01/25/1287470125.db2.gz RPIRSVBIZGNRAN-FZMZJTMJSA-N -1 1 368.401 0.098 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328479 1282420516 /nfs/dbraw/zinc/42/05/16/1282420516.db2.gz IBMJQSQEQVTVAT-SNVBAGLBSA-N -1 1 353.429 0.635 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588327458 1282420549 /nfs/dbraw/zinc/42/05/49/1282420549.db2.gz JQDIIKMITBKVDF-CYBMUJFWSA-N -1 1 354.418 0.895 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588327458 1282420552 /nfs/dbraw/zinc/42/05/52/1282420552.db2.gz JQDIIKMITBKVDF-CYBMUJFWSA-N -1 1 354.418 0.895 20 30 FCEDMM C#C[C@H]1CCCCN1c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CCOC ZINC001588332509 1282425179 /nfs/dbraw/zinc/42/51/79/1282425179.db2.gz LOWGBLMBGPZPOI-NSHDSACASA-N -1 1 368.405 0.487 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588335964 1282428612 /nfs/dbraw/zinc/42/86/12/1282428612.db2.gz DNKFCVKDJXKCLU-CHWSQXEVSA-N -1 1 354.418 0.389 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001588336298 1282429315 /nfs/dbraw/zinc/42/93/15/1282429315.db2.gz LZIYTADBHOZQML-BETUJISGSA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001588336298 1282429332 /nfs/dbraw/zinc/42/93/32/1282429332.db2.gz LZIYTADBHOZQML-BETUJISGSA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338580 1282432396 /nfs/dbraw/zinc/43/23/96/1282432396.db2.gz FLNVUFGUCSKTKP-JSGCOSHPSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338580 1282432400 /nfs/dbraw/zinc/43/24/00/1282432400.db2.gz FLNVUFGUCSKTKP-JSGCOSHPSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588338753 1282432932 /nfs/dbraw/zinc/43/29/32/1282432932.db2.gz OZAIQWOUFDNVQV-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588338753 1282432937 /nfs/dbraw/zinc/43/29/37/1282432937.db2.gz OZAIQWOUFDNVQV-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588339805 1282434205 /nfs/dbraw/zinc/43/42/05/1282434205.db2.gz WJMOJSJFMBTVQX-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588339805 1282434211 /nfs/dbraw/zinc/43/42/11/1282434211.db2.gz WJMOJSJFMBTVQX-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588342560 1282437598 /nfs/dbraw/zinc/43/75/98/1282437598.db2.gz BQJMFIOTNYBREN-KRWDZBQOSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588342560 1282437603 /nfs/dbraw/zinc/43/76/03/1282437603.db2.gz BQJMFIOTNYBREN-KRWDZBQOSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588342545 1282439164 /nfs/dbraw/zinc/43/91/64/1282439164.db2.gz BKBRQXDWFYFXEH-ZDUSSCGKSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588344262 1282439976 /nfs/dbraw/zinc/43/99/76/1282439976.db2.gz JWOWZQHJGMUCJD-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588344262 1282439982 /nfs/dbraw/zinc/43/99/82/1282439982.db2.gz JWOWZQHJGMUCJD-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588344807 1282440550 /nfs/dbraw/zinc/44/05/50/1282440550.db2.gz FHVVCQNKWYDBIW-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588344807 1282440554 /nfs/dbraw/zinc/44/05/54/1282440554.db2.gz FHVVCQNKWYDBIW-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588348761 1282441706 /nfs/dbraw/zinc/44/17/06/1282441706.db2.gz LRQQEMDBSWOHSO-JSGCOSHPSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588348761 1282441712 /nfs/dbraw/zinc/44/17/12/1282441712.db2.gz LRQQEMDBSWOHSO-JSGCOSHPSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588348282 1282442277 /nfs/dbraw/zinc/44/22/77/1282442277.db2.gz OTDROROBCNKRIY-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588348282 1282442283 /nfs/dbraw/zinc/44/22/83/1282442283.db2.gz OTDROROBCNKRIY-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588350473 1282443977 /nfs/dbraw/zinc/44/39/77/1282443977.db2.gz YTUGBERWCGZNFI-UHFFFAOYSA-N -1 1 356.386 0.608 20 30 FCEDMM C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588350473 1282443985 /nfs/dbraw/zinc/44/39/85/1282443985.db2.gz YTUGBERWCGZNFI-UHFFFAOYSA-N -1 1 356.386 0.608 20 30 FCEDMM C#CCN(C)c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1CC1CC1 ZINC001588349702 1282445273 /nfs/dbraw/zinc/44/52/73/1282445273.db2.gz WDCBGUXGKYVCEZ-UHFFFAOYSA-N -1 1 351.374 0.705 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588354993 1282451911 /nfs/dbraw/zinc/45/19/11/1282451911.db2.gz CVXGCCJVTYOTFF-STQMWFEESA-N -1 1 372.433 0.060 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356060 1282456599 /nfs/dbraw/zinc/45/65/99/1282456599.db2.gz SANNYNBHNZJQSQ-GHMZBOCLSA-N -1 1 361.431 0.365 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588355949 1282456898 /nfs/dbraw/zinc/45/68/98/1282456898.db2.gz QAVFDTPLRMOSCI-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588355949 1282456902 /nfs/dbraw/zinc/45/69/02/1282456902.db2.gz QAVFDTPLRMOSCI-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355866 1282457342 /nfs/dbraw/zinc/45/73/42/1282457342.db2.gz OKWGEQMSWGNMIH-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355866 1282457345 /nfs/dbraw/zinc/45/73/45/1282457345.db2.gz OKWGEQMSWGNMIH-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588356747 1282461268 /nfs/dbraw/zinc/46/12/68/1282461268.db2.gz ZSIHGELEDHKYKT-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588356747 1282461273 /nfs/dbraw/zinc/46/12/73/1282461273.db2.gz ZSIHGELEDHKYKT-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001588357542 1282464977 /nfs/dbraw/zinc/46/49/77/1282464977.db2.gz NKGOAEDESCHHFU-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001588357542 1282464981 /nfs/dbraw/zinc/46/49/81/1282464981.db2.gz NKGOAEDESCHHFU-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357773 1282466735 /nfs/dbraw/zinc/46/67/35/1282466735.db2.gz MPVXOPHKLYGFBR-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357773 1282466742 /nfs/dbraw/zinc/46/67/42/1282466742.db2.gz MPVXOPHKLYGFBR-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588358677 1282470707 /nfs/dbraw/zinc/47/07/07/1282470707.db2.gz ZOWMVHCBLVYDEF-SDDRHHMPSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588358677 1282470714 /nfs/dbraw/zinc/47/07/14/1282470714.db2.gz ZOWMVHCBLVYDEF-SDDRHHMPSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1CC ZINC001588359747 1282476264 /nfs/dbraw/zinc/47/62/64/1282476264.db2.gz BDPQFLBPWSGHNF-SGMGOOAPSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1CC ZINC001588359747 1282476268 /nfs/dbraw/zinc/47/62/68/1282476268.db2.gz BDPQFLBPWSGHNF-SGMGOOAPSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588360331 1282478447 /nfs/dbraw/zinc/47/84/47/1282478447.db2.gz OALBXHLPFVWLQG-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588360331 1282478454 /nfs/dbraw/zinc/47/84/54/1282478454.db2.gz OALBXHLPFVWLQG-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588360213 1282479211 /nfs/dbraw/zinc/47/92/11/1282479211.db2.gz KVOIXMSYVPRUEF-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588360213 1282479214 /nfs/dbraw/zinc/47/92/14/1282479214.db2.gz KVOIXMSYVPRUEF-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588360292 1282479277 /nfs/dbraw/zinc/47/92/77/1282479277.db2.gz NGEOVMHBDLSSQO-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588360292 1282479282 /nfs/dbraw/zinc/47/92/82/1282479282.db2.gz NGEOVMHBDLSSQO-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001588360832 1282480355 /nfs/dbraw/zinc/48/03/55/1282480355.db2.gz WQABXVUXPALBCQ-DCQANWLSSA-N -1 1 373.442 0.221 20 30 FCEDMM C#CCn1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001588364108 1282488670 /nfs/dbraw/zinc/48/86/70/1282488670.db2.gz UOMMDIJWLKMKSP-UHFFFAOYSA-N -1 1 361.362 0.314 20 30 FCEDMM C#CCn1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001588364108 1282488675 /nfs/dbraw/zinc/48/86/75/1282488675.db2.gz UOMMDIJWLKMKSP-UHFFFAOYSA-N -1 1 361.362 0.314 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588365122 1282490865 /nfs/dbraw/zinc/49/08/65/1282490865.db2.gz RYSNUEOABGPIND-STQMWFEESA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588365122 1282490869 /nfs/dbraw/zinc/49/08/69/1282490869.db2.gz RYSNUEOABGPIND-STQMWFEESA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001588364640 1282491247 /nfs/dbraw/zinc/49/12/47/1282491247.db2.gz JNOYXFRPZLXOPU-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001588364640 1282491252 /nfs/dbraw/zinc/49/12/52/1282491252.db2.gz JNOYXFRPZLXOPU-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588377510 1282494813 /nfs/dbraw/zinc/49/48/13/1282494813.db2.gz YBBZPCOQDDCXGY-HNNXBMFYSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588377510 1282494818 /nfs/dbraw/zinc/49/48/18/1282494818.db2.gz YBBZPCOQDDCXGY-HNNXBMFYSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380651 1282494871 /nfs/dbraw/zinc/49/48/71/1282494871.db2.gz JTRXHVYKGAXVQF-ARJAWSKDSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380651 1282494877 /nfs/dbraw/zinc/49/48/77/1282494877.db2.gz JTRXHVYKGAXVQF-ARJAWSKDSA-N -1 1 361.369 0.431 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588391909 1282498169 /nfs/dbraw/zinc/49/81/69/1282498169.db2.gz QYIYIYPGGWQVSB-GFCCVEGCSA-N -1 1 356.434 0.941 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380933 1282498309 /nfs/dbraw/zinc/49/83/09/1282498309.db2.gz PVVWTDQYZFQBHT-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380933 1282498316 /nfs/dbraw/zinc/49/83/16/1282498316.db2.gz PVVWTDQYZFQBHT-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402301 1282499175 /nfs/dbraw/zinc/49/91/75/1282499175.db2.gz FBRMCLPUJDMXHX-QWHCGFSZSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001588402770 1282500664 /nfs/dbraw/zinc/50/06/64/1282500664.db2.gz MSJXEMFOYQWVBN-STQMWFEESA-N -1 1 372.433 0.463 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588410719 1282501830 /nfs/dbraw/zinc/50/18/30/1282501830.db2.gz UKNKACKKYQLOLB-CYBMUJFWSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588410719 1282501837 /nfs/dbraw/zinc/50/18/37/1282501837.db2.gz UKNKACKKYQLOLB-CYBMUJFWSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588411729 1282503012 /nfs/dbraw/zinc/50/30/12/1282503012.db2.gz IOMXCYZCXSNOHX-CYBMUJFWSA-N -1 1 372.433 0.961 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588411729 1282503024 /nfs/dbraw/zinc/50/30/24/1282503024.db2.gz IOMXCYZCXSNOHX-CYBMUJFWSA-N -1 1 372.433 0.961 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588461395 1282510072 /nfs/dbraw/zinc/51/00/72/1282510072.db2.gz OKZFMLGYWBIJGC-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588461395 1282510084 /nfs/dbraw/zinc/51/00/84/1282510084.db2.gz OKZFMLGYWBIJGC-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=CC(C)(C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588476299 1282515800 /nfs/dbraw/zinc/51/58/00/1282515800.db2.gz VKVHVZHBSFWWLZ-UHFFFAOYSA-N -1 1 372.433 0.368 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475534 1282516123 /nfs/dbraw/zinc/51/61/23/1282516123.db2.gz MMWOGHMONDSVKU-YPMHNXCESA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475534 1282516136 /nfs/dbraw/zinc/51/61/36/1282516136.db2.gz MMWOGHMONDSVKU-YPMHNXCESA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588483257 1282520416 /nfs/dbraw/zinc/52/04/16/1282520416.db2.gz DCXVROXQQLPDER-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588483257 1282520428 /nfs/dbraw/zinc/52/04/28/1282520428.db2.gz DCXVROXQQLPDER-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588482261 1282520978 /nfs/dbraw/zinc/52/09/78/1282520978.db2.gz TZABDHUVSCQHIT-NWDGAFQWSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588482264 1282521458 /nfs/dbraw/zinc/52/14/58/1282521458.db2.gz TZABDHUVSCQHIT-VXGBXAGGSA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588492146 1282522580 /nfs/dbraw/zinc/52/25/80/1282522580.db2.gz PAVIEIRNCFHULA-PXAZEXFGSA-N -1 1 372.433 0.320 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588495263 1282523872 /nfs/dbraw/zinc/52/38/72/1282523872.db2.gz APYAIVPHGQVTNS-NDIKUOACSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588495263 1282523882 /nfs/dbraw/zinc/52/38/82/1282523882.db2.gz APYAIVPHGQVTNS-NDIKUOACSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588497011 1282524979 /nfs/dbraw/zinc/52/49/79/1282524979.db2.gz XHCUYJAJJQICSU-BDJLRTHQSA-N -1 1 360.422 0.224 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588496586 1282525641 /nfs/dbraw/zinc/52/56/41/1282525641.db2.gz SQMYIFAWYRJPOS-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588496982 1282525670 /nfs/dbraw/zinc/52/56/70/1282525670.db2.gz WKLYKYBHUFQULB-BZNIZROVSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588496982 1282525676 /nfs/dbraw/zinc/52/56/76/1282525676.db2.gz WKLYKYBHUFQULB-BZNIZROVSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588496840 1282527395 /nfs/dbraw/zinc/52/73/95/1282527395.db2.gz UYRGGNPFJIAJSA-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588496840 1282527403 /nfs/dbraw/zinc/52/74/03/1282527403.db2.gz UYRGGNPFJIAJSA-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498919 1282528392 /nfs/dbraw/zinc/52/83/92/1282528392.db2.gz FFHIPHRGDCCBBZ-YVEFUNNKSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498919 1282528399 /nfs/dbraw/zinc/52/83/99/1282528399.db2.gz FFHIPHRGDCCBBZ-YVEFUNNKSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588499919 1282531206 /nfs/dbraw/zinc/53/12/06/1282531206.db2.gz ORTISFZLSJHBIT-INIZCTEOSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588499919 1282531215 /nfs/dbraw/zinc/53/12/15/1282531215.db2.gz ORTISFZLSJHBIT-INIZCTEOSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588501179 1282533465 /nfs/dbraw/zinc/53/34/65/1282533465.db2.gz KOYHQUQWNJYHGQ-ZBEGNZNMSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588501179 1282533474 /nfs/dbraw/zinc/53/34/74/1282533474.db2.gz KOYHQUQWNJYHGQ-ZBEGNZNMSA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588501127 1282534414 /nfs/dbraw/zinc/53/44/14/1282534414.db2.gz JUGUPUUYBFKGQE-SJORKVTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588501127 1282534421 /nfs/dbraw/zinc/53/44/21/1282534421.db2.gz JUGUPUUYBFKGQE-SJORKVTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501028 1282535070 /nfs/dbraw/zinc/53/50/70/1282535070.db2.gz IKAAIZGQVWVYET-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588503003 1282540540 /nfs/dbraw/zinc/54/05/40/1282540540.db2.gz VZEXZAKSAYIYLF-MRXNPFEDSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588503003 1282540550 /nfs/dbraw/zinc/54/05/50/1282540550.db2.gz VZEXZAKSAYIYLF-MRXNPFEDSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588503368 1282541668 /nfs/dbraw/zinc/54/16/68/1282541668.db2.gz XVZUPCDPQUPYNM-NSODJVPESA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588503368 1282541677 /nfs/dbraw/zinc/54/16/77/1282541677.db2.gz XVZUPCDPQUPYNM-NSODJVPESA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588503822 1282542326 /nfs/dbraw/zinc/54/23/26/1282542326.db2.gz GCKRVZOBVOAIDG-BDJLRTHQSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588503822 1282542336 /nfs/dbraw/zinc/54/23/36/1282542336.db2.gz GCKRVZOBVOAIDG-BDJLRTHQSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505874 1282548667 /nfs/dbraw/zinc/54/86/67/1282548667.db2.gz YSLRWVPUEQKLGA-PXAZEXFGSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505874 1282548676 /nfs/dbraw/zinc/54/86/76/1282548676.db2.gz YSLRWVPUEQKLGA-PXAZEXFGSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588509236 1282551014 /nfs/dbraw/zinc/55/10/14/1282551014.db2.gz VKQSSEYXPXKXRN-MMPTUQATSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588509236 1282551022 /nfs/dbraw/zinc/55/10/22/1282551022.db2.gz VKQSSEYXPXKXRN-MMPTUQATSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001588507670 1282551711 /nfs/dbraw/zinc/55/17/11/1282551711.db2.gz JTYNIZCFSPLIDH-JJTUWOBKSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001588507670 1282551718 /nfs/dbraw/zinc/55/17/18/1282551718.db2.gz JTYNIZCFSPLIDH-JJTUWOBKSA-N -1 1 370.417 0.210 20 30 FCEDMM C=CC[C@@H](C(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588529562 1282560953 /nfs/dbraw/zinc/56/09/53/1282560953.db2.gz BZQZUFYGDDRMME-CQSZACIVSA-N -1 1 364.413 0.967 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588532226 1282562108 /nfs/dbraw/zinc/56/21/08/1282562108.db2.gz PYGIFYOTPVHNGN-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588532226 1282562118 /nfs/dbraw/zinc/56/21/18/1282562118.db2.gz PYGIFYOTPVHNGN-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588531726 1282562645 /nfs/dbraw/zinc/56/26/45/1282562645.db2.gz HDNXEGMEDMOYAT-GFCCVEGCSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001588553436 1282566511 /nfs/dbraw/zinc/56/65/11/1282566511.db2.gz OIQLVYPMVPSZMC-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001588553436 1282566522 /nfs/dbraw/zinc/56/65/22/1282566522.db2.gz OIQLVYPMVPSZMC-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCC1 ZINC001588556736 1282568051 /nfs/dbraw/zinc/56/80/51/1282568051.db2.gz QPJVBPXGUKUERC-IMRBUKKESA-N -1 1 366.429 0.954 20 30 FCEDMM C=CCCCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588588624 1282577344 /nfs/dbraw/zinc/57/73/44/1282577344.db2.gz UYUIULQKEMMOQE-UHFFFAOYSA-N -1 1 372.433 0.200 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588608188 1282581276 /nfs/dbraw/zinc/58/12/76/1282581276.db2.gz HAARIRNBORZLHL-NEPJUHHUSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588608188 1282581285 /nfs/dbraw/zinc/58/12/85/1282581285.db2.gz HAARIRNBORZLHL-NEPJUHHUSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588608088 1282582337 /nfs/dbraw/zinc/58/23/37/1282582337.db2.gz DXJRUEGUBJQAQJ-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588608088 1282582346 /nfs/dbraw/zinc/58/23/46/1282582346.db2.gz DXJRUEGUBJQAQJ-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588608802 1282583089 /nfs/dbraw/zinc/58/30/89/1282583089.db2.gz QTPFFBGCRVSKJO-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588608802 1282583101 /nfs/dbraw/zinc/58/31/01/1282583101.db2.gz QTPFFBGCRVSKJO-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608587 1282584187 /nfs/dbraw/zinc/58/41/87/1282584187.db2.gz OLBKUTVAWPUPKU-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608587 1282584198 /nfs/dbraw/zinc/58/41/98/1282584198.db2.gz OLBKUTVAWPUPKU-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608268 1282584330 /nfs/dbraw/zinc/58/43/30/1282584330.db2.gz ITGPNYUNHYLWFH-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608268 1282584342 /nfs/dbraw/zinc/58/43/42/1282584342.db2.gz ITGPNYUNHYLWFH-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001588610295 1282587885 /nfs/dbraw/zinc/58/78/85/1282587885.db2.gz AHPCQCDZBYZYTG-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001588610295 1282587893 /nfs/dbraw/zinc/58/78/93/1282587893.db2.gz AHPCQCDZBYZYTG-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588610612 1282589629 /nfs/dbraw/zinc/58/96/29/1282589629.db2.gz ISJQWNGANXCIBB-JHJVBQTASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588610612 1282589639 /nfs/dbraw/zinc/58/96/39/1282589639.db2.gz ISJQWNGANXCIBB-JHJVBQTASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588611032 1282590833 /nfs/dbraw/zinc/59/08/33/1282590833.db2.gz POLIGVFWMNLKKF-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588611032 1282590842 /nfs/dbraw/zinc/59/08/42/1282590842.db2.gz POLIGVFWMNLKKF-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588610761 1282590888 /nfs/dbraw/zinc/59/08/88/1282590888.db2.gz MIHXKXVYJFGCMU-JHJVBQTASA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588610761 1282590890 /nfs/dbraw/zinc/59/08/90/1282590890.db2.gz MIHXKXVYJFGCMU-JHJVBQTASA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588615817 1282594320 /nfs/dbraw/zinc/59/43/20/1282594320.db2.gz IXAIAMFAVAXDGW-TXEJJXNPSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588615817 1282594331 /nfs/dbraw/zinc/59/43/31/1282594331.db2.gz IXAIAMFAVAXDGW-TXEJJXNPSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588616520 1282595716 /nfs/dbraw/zinc/59/57/16/1282595716.db2.gz INCAUAAZPIHKSI-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588617706 1282598394 /nfs/dbraw/zinc/59/83/94/1282598394.db2.gz YEILZTWVMCYSEX-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588616662 1282598843 /nfs/dbraw/zinc/59/88/43/1282598843.db2.gz LFKPJUQKMUCVAX-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588616662 1282598853 /nfs/dbraw/zinc/59/88/53/1282598853.db2.gz LFKPJUQKMUCVAX-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588617265 1282599898 /nfs/dbraw/zinc/59/98/98/1282599898.db2.gz SDJJPGYRQZWNGL-MRXNPFEDSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588617147 1282599924 /nfs/dbraw/zinc/59/99/24/1282599924.db2.gz RVIUWGBALNCUPS-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588617147 1282599931 /nfs/dbraw/zinc/59/99/31/1282599931.db2.gz RVIUWGBALNCUPS-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCNC(=O)CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001588659245 1282613138 /nfs/dbraw/zinc/61/31/38/1282613138.db2.gz JQQJIVHAVQTOGK-UHFFFAOYSA-N -1 1 362.825 0.339 20 30 FCEDMM C=CCNC(=O)CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001588659245 1282613145 /nfs/dbraw/zinc/61/31/45/1282613145.db2.gz JQQJIVHAVQTOGK-UHFFFAOYSA-N -1 1 362.825 0.339 20 30 FCEDMM C=CCOCC(=O)N(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588665036 1282617627 /nfs/dbraw/zinc/61/76/27/1282617627.db2.gz CRAICBGJSUOIJG-NSHDSACASA-N -1 1 360.422 0.681 20 30 FCEDMM C=CCOCC(=O)N(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588665036 1282617639 /nfs/dbraw/zinc/61/76/39/1282617639.db2.gz CRAICBGJSUOIJG-NSHDSACASA-N -1 1 360.422 0.681 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588667592 1282622687 /nfs/dbraw/zinc/62/26/87/1282622687.db2.gz YIDNFOPPOVUHHV-KRWDZBQOSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588667592 1282622702 /nfs/dbraw/zinc/62/27/02/1282622702.db2.gz YIDNFOPPOVUHHV-KRWDZBQOSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](CC)C1 ZINC001588666940 1282622736 /nfs/dbraw/zinc/62/27/36/1282622736.db2.gz OJCWGBHUFOCEDT-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](CC)C1 ZINC001588666940 1282622752 /nfs/dbraw/zinc/62/27/52/1282622752.db2.gz OJCWGBHUFOCEDT-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588667243 1282625249 /nfs/dbraw/zinc/62/52/49/1282625249.db2.gz SUZJYUMSYYYWIN-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588667243 1282625260 /nfs/dbraw/zinc/62/52/60/1282625260.db2.gz SUZJYUMSYYYWIN-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588674556 1282630709 /nfs/dbraw/zinc/63/07/09/1282630709.db2.gz PRMGQGTTYMCWEG-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588674556 1282630723 /nfs/dbraw/zinc/63/07/23/1282630723.db2.gz PRMGQGTTYMCWEG-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588681403 1282639749 /nfs/dbraw/zinc/63/97/49/1282639749.db2.gz NFCUPIINPLTDOH-ZDUSSCGKSA-N -1 1 372.433 0.322 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588681393 1282640534 /nfs/dbraw/zinc/64/05/34/1282640534.db2.gz AWXYDYSURBPGHN-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588681393 1282640543 /nfs/dbraw/zinc/64/05/43/1282640543.db2.gz AWXYDYSURBPGHN-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588683167 1282643067 /nfs/dbraw/zinc/64/30/67/1282643067.db2.gz YWPNBQOLXVYSEM-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001588699492 1282651105 /nfs/dbraw/zinc/65/11/05/1282651105.db2.gz JQFLVYOBVGUWJU-QWHCGFSZSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001588699492 1282651121 /nfs/dbraw/zinc/65/11/21/1282651121.db2.gz JQFLVYOBVGUWJU-QWHCGFSZSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@H](COC)C1 ZINC001588699266 1282652334 /nfs/dbraw/zinc/65/23/34/1282652334.db2.gz HCQOYFFJKFXASW-NSHDSACASA-N -1 1 368.405 0.574 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@H](COC)C1 ZINC001588699266 1282652350 /nfs/dbraw/zinc/65/23/50/1282652350.db2.gz HCQOYFFJKFXASW-NSHDSACASA-N -1 1 368.405 0.574 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001588699472 1282653193 /nfs/dbraw/zinc/65/31/93/1282653193.db2.gz JQFLVYOBVGUWJU-OLZOCXBDSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001588699472 1282653209 /nfs/dbraw/zinc/65/32/09/1282653209.db2.gz JQFLVYOBVGUWJU-OLZOCXBDSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)[C@H](C)C1CC1 ZINC001588709983 1282655112 /nfs/dbraw/zinc/65/51/12/1282655112.db2.gz ZKIXKMVSNGRGRY-SNVBAGLBSA-N -1 1 355.410 0.519 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCC[C@@H](CF)C1 ZINC001588709977 1282656444 /nfs/dbraw/zinc/65/64/44/1282656444.db2.gz ZGZJHCMKHDEIMD-NSHDSACASA-N -1 1 373.400 0.470 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@@H](CC)C1 ZINC001588709852 1282658549 /nfs/dbraw/zinc/65/85/49/1282658549.db2.gz WYFNCFHTWFUTSS-LLVKDONJSA-N -1 1 355.410 0.520 20 30 FCEDMM C=CCn1cc(C(=O)NCCN(C)c2snc(C)c2-c2nn[n-]n2)nn1 ZINC001588713828 1282662126 /nfs/dbraw/zinc/66/21/26/1282662126.db2.gz VOANUTGLHVSIRH-UHFFFAOYSA-N -1 1 374.434 0.275 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588718175 1282663987 /nfs/dbraw/zinc/66/39/87/1282663987.db2.gz ABWNAZITFATAIG-SCRDCRAPSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588718175 1282663999 /nfs/dbraw/zinc/66/39/99/1282663999.db2.gz ABWNAZITFATAIG-SCRDCRAPSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588721486 1282667694 /nfs/dbraw/zinc/66/76/94/1282667694.db2.gz JBBSMYSAIRXNHX-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588721486 1282667708 /nfs/dbraw/zinc/66/77/08/1282667708.db2.gz JBBSMYSAIRXNHX-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588721914 1282667854 /nfs/dbraw/zinc/66/78/54/1282667854.db2.gz QCYUGTDKXYHCFQ-SCRDCRAPSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588721914 1282667861 /nfs/dbraw/zinc/66/78/61/1282667861.db2.gz QCYUGTDKXYHCFQ-SCRDCRAPSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588724315 1282672970 /nfs/dbraw/zinc/67/29/70/1282672970.db2.gz YAPNQUAEWUMBPH-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588724315 1282672979 /nfs/dbraw/zinc/67/29/79/1282672979.db2.gz YAPNQUAEWUMBPH-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001588928640 1282729588 /nfs/dbraw/zinc/72/95/88/1282729588.db2.gz SOOFORZHLHZKHL-MZPVMMEZSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001588928640 1282729594 /nfs/dbraw/zinc/72/95/94/1282729594.db2.gz SOOFORZHLHZKHL-MZPVMMEZSA-N -1 1 367.417 0.491 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589067708 1282791071 /nfs/dbraw/zinc/79/10/71/1282791071.db2.gz DJBZGEVCTNSVCB-UHFFFAOYSA-N -1 1 354.418 0.745 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589067708 1282791080 /nfs/dbraw/zinc/79/10/80/1282791080.db2.gz DJBZGEVCTNSVCB-UHFFFAOYSA-N -1 1 354.418 0.745 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589067545 1282791924 /nfs/dbraw/zinc/79/19/24/1282791924.db2.gz BMONVUNCBXPCQA-UHFFFAOYSA-N -1 1 354.418 0.745 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589067545 1282791932 /nfs/dbraw/zinc/79/19/32/1282791932.db2.gz BMONVUNCBXPCQA-UHFFFAOYSA-N -1 1 354.418 0.745 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001589384677 1282858990 /nfs/dbraw/zinc/85/89/90/1282858990.db2.gz NERNKMSNEYMMSO-CABCVRRESA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001589384677 1282859000 /nfs/dbraw/zinc/85/90/00/1282859000.db2.gz NERNKMSNEYMMSO-CABCVRRESA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001589385015 1282859924 /nfs/dbraw/zinc/85/99/24/1282859924.db2.gz UTJRUHXZTADVMR-KGLIPLIRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001589385015 1282859928 /nfs/dbraw/zinc/85/99/28/1282859928.db2.gz UTJRUHXZTADVMR-KGLIPLIRSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001589385310 1282862793 /nfs/dbraw/zinc/86/27/93/1282862793.db2.gz ZGQMSNFNBIXEFC-BETUJISGSA-N -1 1 352.402 0.211 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001589387623 1282863773 /nfs/dbraw/zinc/86/37/73/1282863773.db2.gz NEAYLQDPWGHTBH-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387306 1282863934 /nfs/dbraw/zinc/86/39/34/1282863934.db2.gz KLFBPXARKMKHNV-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387306 1282863944 /nfs/dbraw/zinc/86/39/44/1282863944.db2.gz KLFBPXARKMKHNV-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001589387289 1282864478 /nfs/dbraw/zinc/86/44/78/1282864478.db2.gz JSPBKPJKUFNFSR-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)C#CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001589387289 1282864492 /nfs/dbraw/zinc/86/44/92/1282864492.db2.gz JSPBKPJKUFNFSR-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001589387318 1282864772 /nfs/dbraw/zinc/86/47/72/1282864772.db2.gz KRXQUXZKGCZZJB-KBXCAEBGSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001589387318 1282864783 /nfs/dbraw/zinc/86/47/83/1282864783.db2.gz KRXQUXZKGCZZJB-KBXCAEBGSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001589387637 1282865182 /nfs/dbraw/zinc/86/51/82/1282865182.db2.gz NEAYLQDPWGHTBH-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001589389976 1282870243 /nfs/dbraw/zinc/87/02/43/1282870243.db2.gz VMQRCNBDKSYPNT-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001589389976 1282870255 /nfs/dbraw/zinc/87/02/55/1282870255.db2.gz VMQRCNBDKSYPNT-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)CSCC#N ZINC001589799351 1283015586 /nfs/dbraw/zinc/01/55/86/1283015586.db2.gz KYVNVTSSFYCZSI-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001589799351 1283015598 /nfs/dbraw/zinc/01/55/98/1283015598.db2.gz KYVNVTSSFYCZSI-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589799167 1283015978 /nfs/dbraw/zinc/01/59/78/1283015978.db2.gz FPDBZDIICHMWEY-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589799167 1283015987 /nfs/dbraw/zinc/01/59/87/1283015987.db2.gz FPDBZDIICHMWEY-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)o1)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589863652 1283098615 /nfs/dbraw/zinc/09/86/15/1283098615.db2.gz FHIUYUZTJPYXIQ-VIFPVBQESA-N -1 1 369.341 0.720 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)o1)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589863652 1283098628 /nfs/dbraw/zinc/09/86/28/1283098628.db2.gz FHIUYUZTJPYXIQ-VIFPVBQESA-N -1 1 369.341 0.720 20 30 FCEDMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985216 1283155424 /nfs/dbraw/zinc/15/54/24/1283155424.db2.gz FFTHXUMENHYHJT-JSGCOSHPSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@]1(C#N)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC001590057122 1283191331 /nfs/dbraw/zinc/19/13/31/1283191331.db2.gz ZKEUJWHKYWZYEZ-ZDUSSCGKSA-N -1 1 368.806 0.823 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)CSCC#N ZINC001590108358 1283220563 /nfs/dbraw/zinc/22/05/63/1283220563.db2.gz PDDVRIZMJSMKSX-NSHDSACASA-N -1 1 373.446 0.244 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)CSCC#N ZINC001590108358 1283220570 /nfs/dbraw/zinc/22/05/70/1283220570.db2.gz PDDVRIZMJSMKSX-NSHDSACASA-N -1 1 373.446 0.244 20 30 FCEDMM C[C@H]1[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(C#N)nn1 ZINC001590167080 1283261066 /nfs/dbraw/zinc/26/10/66/1283261066.db2.gz KGQXDPLQPVXBGH-QWRGUYRKSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@H]1[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(C#N)nn1 ZINC001590167080 1283261071 /nfs/dbraw/zinc/26/10/71/1283261071.db2.gz KGQXDPLQPVXBGH-QWRGUYRKSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2cncc(C#N)n2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590168421 1283262139 /nfs/dbraw/zinc/26/21/39/1283262139.db2.gz STYBUNHSXZHZJQ-WDEREUQCSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2cncc(C#N)n2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590168421 1283262147 /nfs/dbraw/zinc/26/21/47/1283262147.db2.gz STYBUNHSXZHZJQ-WDEREUQCSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590168038 1283262271 /nfs/dbraw/zinc/26/22/71/1283262271.db2.gz JEBBMCVFSUGRNT-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590168038 1283262281 /nfs/dbraw/zinc/26/22/81/1283262281.db2.gz JEBBMCVFSUGRNT-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590172418 1283272552 /nfs/dbraw/zinc/27/25/52/1283272552.db2.gz ZPQQXFKVKVSUTJ-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590172418 1283272558 /nfs/dbraw/zinc/27/25/58/1283272558.db2.gz ZPQQXFKVKVSUTJ-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590196864 1283306164 /nfs/dbraw/zinc/30/61/64/1283306164.db2.gz MBUXHWRQMQLSDM-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590196864 1283306170 /nfs/dbraw/zinc/30/61/70/1283306170.db2.gz MBUXHWRQMQLSDM-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CSCC#N ZINC001590207838 1283331074 /nfs/dbraw/zinc/33/10/74/1283331074.db2.gz AOLJQHQFGQWOHG-WDEREUQCSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CSCC#N ZINC001590207838 1283331082 /nfs/dbraw/zinc/33/10/82/1283331082.db2.gz AOLJQHQFGQWOHG-WDEREUQCSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@H]1CCC[C@](C#N)(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001590238817 1283374518 /nfs/dbraw/zinc/37/45/18/1283374518.db2.gz IVERANLODJNBOU-QFYYESIMSA-N -1 1 372.389 0.108 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590284274 1283410661 /nfs/dbraw/zinc/41/06/61/1283410661.db2.gz QZOLQUFWLRPBFZ-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590284274 1283410664 /nfs/dbraw/zinc/41/06/64/1283410664.db2.gz QZOLQUFWLRPBFZ-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@H](C)N1CC#N ZINC001590313701 1283457343 /nfs/dbraw/zinc/45/73/43/1283457343.db2.gz PQHSITJNZXAKTQ-UWVGGRQHSA-N -1 1 367.460 0.535 20 30 FCEDMM CCCC(=O)NC[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590538085 1283597655 /nfs/dbraw/zinc/59/76/55/1283597655.db2.gz VLZINWDHEFANQC-LLVKDONJSA-N -1 1 355.406 0.661 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001604543407 1287652651 /nfs/dbraw/zinc/65/26/51/1287652651.db2.gz KHZHZLXFYLXHOV-VXGBXAGGSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001604543407 1287652660 /nfs/dbraw/zinc/65/26/60/1287652660.db2.gz KHZHZLXFYLXHOV-VXGBXAGGSA-N -1 1 369.433 0.854 20 30 FCEDMM CCOc1ccc(OCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001590839374 1283913023 /nfs/dbraw/zinc/91/30/23/1283913023.db2.gz RBLRKQNUKXEYFM-UHFFFAOYSA-N -1 1 354.330 0.878 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001590903663 1283954007 /nfs/dbraw/zinc/95/40/07/1283954007.db2.gz DQFFMHWLBGUAMB-NSHDSACASA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001590903663 1283954016 /nfs/dbraw/zinc/95/40/16/1283954016.db2.gz DQFFMHWLBGUAMB-NSHDSACASA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)C#CC(C)C)CC2)n1 ZINC001590908112 1283957997 /nfs/dbraw/zinc/95/79/97/1283957997.db2.gz ZSEHYHWQVJAQMR-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)C#CC(C)C)CC2)n1 ZINC001590908112 1283958004 /nfs/dbraw/zinc/95/80/04/1283958004.db2.gz ZSEHYHWQVJAQMR-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CCc1nc(NC/C=C/CNC(=O)CSCC#N)cc(-c2nnn[n-]2)n1 ZINC001590918622 1283969106 /nfs/dbraw/zinc/96/91/06/1283969106.db2.gz DVZUBLGYKFYFQE-ONEGZZNKSA-N -1 1 373.446 0.560 20 30 FCEDMM CCc1nc(NC/C=C/CNC(=O)CSCC#N)cc(-c2nn[n-]n2)n1 ZINC001590918622 1283969114 /nfs/dbraw/zinc/96/91/14/1283969114.db2.gz DVZUBLGYKFYFQE-ONEGZZNKSA-N -1 1 373.446 0.560 20 30 FCEDMM CCc1nn(C)c(OC)c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC001590929166 1283979014 /nfs/dbraw/zinc/97/90/14/1283979014.db2.gz VXOXBCLKIHBOHK-UHFFFAOYSA-N -1 1 356.390 0.832 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001590971711 1284031355 /nfs/dbraw/zinc/03/13/55/1284031355.db2.gz DGILJIHKCIUMJK-ZDUSSCGKSA-N -1 1 368.445 0.777 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001591058720 1284120608 /nfs/dbraw/zinc/12/06/08/1284120608.db2.gz XPEAKIGYAMAZHS-CYBMUJFWSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001591058720 1284120611 /nfs/dbraw/zinc/12/06/11/1284120611.db2.gz XPEAKIGYAMAZHS-CYBMUJFWSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(Cc1cn(CC2(C#N)CCCC2)nn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591150993 1284220099 /nfs/dbraw/zinc/22/00/99/1284220099.db2.gz MRGJHTRJKKQSNI-UHFFFAOYSA-N -1 1 365.405 0.969 20 30 FCEDMM CN(Cc1cn(CC2(C#N)CCCC2)nn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591150993 1284220104 /nfs/dbraw/zinc/22/01/04/1284220104.db2.gz MRGJHTRJKKQSNI-UHFFFAOYSA-N -1 1 365.405 0.969 20 30 FCEDMM COc1cc(C#N)ccc1COC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591506910 1284693535 /nfs/dbraw/zinc/69/35/35/1284693535.db2.gz SHJQNMARWLPYMP-VIFPVBQESA-N -1 1 354.330 0.643 20 30 FCEDMM COc1ccc(NC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cc1Cl ZINC001591608301 1284768778 /nfs/dbraw/zinc/76/87/78/1284768778.db2.gz BZAKDTKTCCUHES-UHFFFAOYSA-N -1 1 373.764 0.818 20 30 FCEDMM COc1nccnc1N=NC1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001591669909 1284801531 /nfs/dbraw/zinc/80/15/31/1284801531.db2.gz ZUODJRNVAZMCHA-UHFFFAOYSA-N -1 1 353.346 0.918 20 30 FCEDMM CS(C)(=O)=NCC1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001591685101 1284828910 /nfs/dbraw/zinc/82/89/10/1284828910.db2.gz ITMUAYRNMBRPQL-UHFFFAOYSA-N -1 1 361.435 0.472 20 30 FCEDMM CN(CC(=O)N(C)C1CCCCC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001604707732 1287744363 /nfs/dbraw/zinc/74/43/63/1287744363.db2.gz FDBGBPUGPXTHIQ-UHFFFAOYSA-N -1 1 355.406 0.756 20 30 FCEDMM CN(CC(=O)N(C)C1CCCCC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001604707732 1287744376 /nfs/dbraw/zinc/74/43/76/1287744376.db2.gz FDBGBPUGPXTHIQ-UHFFFAOYSA-N -1 1 355.406 0.756 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC#CCN2C(=O)c3ccccc3C2=O)c1 ZINC001591836378 1284945654 /nfs/dbraw/zinc/94/56/54/1284945654.db2.gz QEBZJFUZAOBXDT-UHFFFAOYSA-N -1 1 374.360 0.636 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001591902590 1284994388 /nfs/dbraw/zinc/99/43/88/1284994388.db2.gz RYJUYTKLQVOLGN-BETUJISGSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)C#CC(C)C)C2)n1 ZINC001591902590 1284994396 /nfs/dbraw/zinc/99/43/96/1284994396.db2.gz RYJUYTKLQVOLGN-BETUJISGSA-N -1 1 354.418 0.931 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001604761651 1287768812 /nfs/dbraw/zinc/76/88/12/1287768812.db2.gz VTSZZHMOZQYQTB-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001604761651 1287768825 /nfs/dbraw/zinc/76/88/25/1287768825.db2.gz VTSZZHMOZQYQTB-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001592335532 1285245969 /nfs/dbraw/zinc/24/59/69/1285245969.db2.gz SMJFDPRPOSXTDZ-NSHDSACASA-N -1 1 374.405 0.879 20 30 FCEDMM Cc1nsc(N2CCN(c3c(C#N)cnn3C)CC2)c1-c1nn[n-]n1 ZINC001592475883 1285414924 /nfs/dbraw/zinc/41/49/24/1285414924.db2.gz NKDVLFNXSCNUKT-UHFFFAOYSA-N -1 1 356.419 0.563 20 30 FCEDMM Cn1cc([C@H](O)C[C@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592567732 1285481547 /nfs/dbraw/zinc/48/15/47/1285481547.db2.gz OQYYAASKYFQJEV-DGCLKSJQSA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@@H]2CSCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592570449 1285486046 /nfs/dbraw/zinc/48/60/46/1285486046.db2.gz UMKXLADYGJRHCE-NSHDSACASA-N -1 1 354.403 0.556 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001604830642 1287791219 /nfs/dbraw/zinc/79/12/19/1287791219.db2.gz AVUILOWOVMYGNQ-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001604830642 1287791226 /nfs/dbraw/zinc/79/12/26/1287791226.db2.gz AVUILOWOVMYGNQ-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592679649 1285578240 /nfs/dbraw/zinc/57/82/40/1285578240.db2.gz XQJWFTHHYMPRLM-GHMZBOCLSA-N -1 1 373.446 0.175 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)nc1-c1nn[nH]n1 ZINC001592681385 1285579209 /nfs/dbraw/zinc/57/92/09/1285579209.db2.gz CKLAYKMOPFVDJP-SECBINFHSA-N -1 1 367.329 0.276 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1-c1nn[nH]n1 ZINC001592682896 1285580670 /nfs/dbraw/zinc/58/06/70/1285580670.db2.gz HJLLCENGQVUKDH-IWSPIJDZSA-N -1 1 355.362 0.095 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2sccc2-n2ccnn2)nc1-c1nn[nH]n1 ZINC001592682389 1285581892 /nfs/dbraw/zinc/58/18/92/1285581892.db2.gz YJYNXEWEHWYUHV-UHFFFAOYSA-N -1 1 353.331 0.356 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001592697244 1285589117 /nfs/dbraw/zinc/58/91/17/1285589117.db2.gz RRDIOSRJDVPWFD-UHFFFAOYSA-N -1 1 350.346 0.762 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001592697244 1285589125 /nfs/dbraw/zinc/58/91/25/1285589125.db2.gz RRDIOSRJDVPWFD-UHFFFAOYSA-N -1 1 350.346 0.762 20 30 FCEDMM N#Cc1cccn(CN2CCN(c3ccsc3-c3nn[n-]n3)CC2)c1=O ZINC001592703087 1285590285 /nfs/dbraw/zinc/59/02/85/1285590285.db2.gz PZQFYIYXGPPCHE-UHFFFAOYSA-N -1 1 368.426 0.741 20 30 FCEDMM N#Cc1cnn2c1[nH]c(COC(=O)c1ccnc(-c3nnn[n-]3)c1)cc2=O ZINC001592704116 1285591117 /nfs/dbraw/zinc/59/11/17/1285591117.db2.gz VHOLQJGWNHXXFI-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1cnn2c1[nH]c(COC(=O)c1ccnc(-c3nn[n-]n3)c1)cc2=O ZINC001592704116 1285591128 /nfs/dbraw/zinc/59/11/28/1285591128.db2.gz VHOLQJGWNHXXFI-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1ncc(NCCCNC(=O)c2cccc(O)c2)nc1-c1nn[n-]n1 ZINC001592710758 1285595193 /nfs/dbraw/zinc/59/51/93/1285595193.db2.gz YCSBMHUOLMGFNK-UHFFFAOYSA-N -1 1 365.357 0.466 20 30 FCEDMM O=C(C#Cc1ccc2c(c1)OCO2)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592767721 1285690739 /nfs/dbraw/zinc/69/07/39/1285690739.db2.gz ITPOEBVCIAGOEU-UHFFFAOYSA-N -1 1 354.351 0.720 20 30 FCEDMM O=C(C#Cc1ccc2c(c1)OCO2)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592767721 1285690744 /nfs/dbraw/zinc/69/07/44/1285690744.db2.gz ITPOEBVCIAGOEU-UHFFFAOYSA-N -1 1 354.351 0.720 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001592768900 1285692771 /nfs/dbraw/zinc/69/27/71/1285692771.db2.gz QJANWEHICQHAOZ-KBPBESRZSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001592768900 1285692780 /nfs/dbraw/zinc/69/27/80/1285692780.db2.gz QJANWEHICQHAOZ-KBPBESRZSA-N -1 1 364.413 0.909 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/nfs/dbraw/zinc/01/40/92/947014092.db2.gz URBGHYUAINZRPH-MNOVXSKESA-N -1 1 355.406 0.277 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573566851 947032862 /nfs/dbraw/zinc/03/28/62/947032862.db2.gz HAZMVUJWOSNLJY-RTXFEEFZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573566851 947032874 /nfs/dbraw/zinc/03/28/74/947032874.db2.gz HAZMVUJWOSNLJY-RTXFEEFZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573566768 947033458 /nfs/dbraw/zinc/03/34/58/947033458.db2.gz GUFNMOFZLKZMKE-RTXFEEFZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573566768 947033465 /nfs/dbraw/zinc/03/34/65/947033465.db2.gz GUFNMOFZLKZMKE-RTXFEEFZSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573567444 947042869 /nfs/dbraw/zinc/04/28/69/947042869.db2.gz NATBIWBOKAELDO-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573567444 947042874 /nfs/dbraw/zinc/04/28/74/947042874.db2.gz NATBIWBOKAELDO-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567510 947045978 /nfs/dbraw/zinc/04/59/78/947045978.db2.gz NTZLMAYGSYDYKN-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567510 947045989 /nfs/dbraw/zinc/04/59/89/947045989.db2.gz NTZLMAYGSYDYKN-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573567604 947049064 /nfs/dbraw/zinc/04/90/64/947049064.db2.gz PKFZTSKJYGJROL-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573567604 947049076 /nfs/dbraw/zinc/04/90/76/947049076.db2.gz PKFZTSKJYGJROL-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573567605 947049568 /nfs/dbraw/zinc/04/95/68/947049568.db2.gz PKFZTSKJYGJROL-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573567605 947049580 /nfs/dbraw/zinc/04/95/80/947049580.db2.gz PKFZTSKJYGJROL-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573568049 947064503 /nfs/dbraw/zinc/06/45/03/947064503.db2.gz WVAIHNILIUKNPT-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM C=C1CC(C)(C(=O)N(CCO)CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573298158 947071022 /nfs/dbraw/zinc/07/10/22/947071022.db2.gz MWSNDEDJHLSDFD-UHFFFAOYSA-N -1 1 372.433 0.554 20 30 FCEDMM C=C1CC(C)(C(=O)N(CCO)CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573298158 947071036 /nfs/dbraw/zinc/07/10/36/947071036.db2.gz MWSNDEDJHLSDFD-UHFFFAOYSA-N -1 1 372.433 0.554 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573570078 947084520 /nfs/dbraw/zinc/08/45/20/947084520.db2.gz KAFKTKZWRCHROC-SSDOTTSWSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573570078 947084526 /nfs/dbraw/zinc/08/45/26/947084526.db2.gz KAFKTKZWRCHROC-SSDOTTSWSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573572069 947109406 /nfs/dbraw/zinc/10/94/06/947109406.db2.gz DONPKBCGVHQGQZ-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573572069 947109413 /nfs/dbraw/zinc/10/94/13/947109413.db2.gz DONPKBCGVHQGQZ-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001573572098 947109563 /nfs/dbraw/zinc/10/95/63/947109563.db2.gz FEJUMHBIDOAFCW-QVVZTSRFSA-N -1 1 353.390 0.656 20 30 FCEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001573572098 947109568 /nfs/dbraw/zinc/10/95/68/947109568.db2.gz FEJUMHBIDOAFCW-QVVZTSRFSA-N -1 1 353.390 0.656 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573573118 947119745 /nfs/dbraw/zinc/11/97/45/947119745.db2.gz MQKYHQGKRQMIPN-AAEUAGOBSA-N -1 1 369.433 0.715 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573574754 947132853 /nfs/dbraw/zinc/13/28/53/947132853.db2.gz UHRGXBAITFTKLC-ZYHUDNBSSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573574754 947132858 /nfs/dbraw/zinc/13/28/58/947132858.db2.gz UHRGXBAITFTKLC-ZYHUDNBSSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573575038 947135296 /nfs/dbraw/zinc/13/52/96/947135296.db2.gz VMZPVLMPZHMHNT-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573575038 947135307 /nfs/dbraw/zinc/13/53/07/947135307.db2.gz VMZPVLMPZHMHNT-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573575335 947137333 /nfs/dbraw/zinc/13/73/33/947137333.db2.gz XHOZROZVPJMYBG-QVVZTSRFSA-N -1 1 353.390 0.078 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573575396 947139370 /nfs/dbraw/zinc/13/93/70/947139370.db2.gz YKQLMMIVPGSKHN-JQWIXIFHSA-N -1 1 355.406 0.325 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573576576 947153658 /nfs/dbraw/zinc/15/36/58/947153658.db2.gz HQFAYAKLXPKJKK-RYUDHWBXSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573576576 947153663 /nfs/dbraw/zinc/15/36/63/947153663.db2.gz HQFAYAKLXPKJKK-RYUDHWBXSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573582440 947191386 /nfs/dbraw/zinc/19/13/86/947191386.db2.gz DNDLTCVJSZGQMK-WDEREUQCSA-N -1 1 361.431 0.405 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001573309178 947192146 /nfs/dbraw/zinc/19/21/46/947192146.db2.gz DLHOSTBGSPPADE-YVEFUNNKSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001573309178 947192156 /nfs/dbraw/zinc/19/21/56/947192156.db2.gz DLHOSTBGSPPADE-YVEFUNNKSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573309465 947199766 /nfs/dbraw/zinc/19/97/66/947199766.db2.gz JFXCWZZZTJIUJM-CXAGYDPISA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573309465 947199775 /nfs/dbraw/zinc/19/97/75/947199775.db2.gz JFXCWZZZTJIUJM-CXAGYDPISA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309523 947203973 /nfs/dbraw/zinc/20/39/73/947203973.db2.gz JWIBUKUMSAQXEW-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573309523 947203981 /nfs/dbraw/zinc/20/39/81/947203981.db2.gz JWIBUKUMSAQXEW-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309900 947213480 /nfs/dbraw/zinc/21/34/80/947213480.db2.gz PMRLJVFODVOOFH-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573309900 947213486 /nfs/dbraw/zinc/21/34/86/947213486.db2.gz PMRLJVFODVOOFH-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573585123 947247211 /nfs/dbraw/zinc/24/72/11/947247211.db2.gz KWTLGQYSSZOKPX-MNOVXSKESA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573585123 947247221 /nfs/dbraw/zinc/24/72/21/947247221.db2.gz KWTLGQYSSZOKPX-MNOVXSKESA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573585389 947253950 /nfs/dbraw/zinc/25/39/50/947253950.db2.gz FJEJYCTWLJJVCN-NGJRWZKOSA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573585389 947253963 /nfs/dbraw/zinc/25/39/63/947253963.db2.gz FJEJYCTWLJJVCN-NGJRWZKOSA-N -1 1 364.822 0.687 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573326760 947376935 /nfs/dbraw/zinc/37/69/35/947376935.db2.gz UCVOXIMOIDJMGH-BETUJISGSA-N -1 1 354.418 0.906 20 30 FCEDMM C=CCCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573327677 947392090 /nfs/dbraw/zinc/39/20/90/947392090.db2.gz JGLCAGPJVYASAH-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573327677 947392106 /nfs/dbraw/zinc/39/21/06/947392106.db2.gz JGLCAGPJVYASAH-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573334359 947453313 /nfs/dbraw/zinc/45/33/13/947453313.db2.gz MKHCURRSBWSGDX-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C=CCCCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573334359 947453319 /nfs/dbraw/zinc/45/33/19/947453319.db2.gz MKHCURRSBWSGDX-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001573334398 947454172 /nfs/dbraw/zinc/45/41/72/947454172.db2.gz MZSLDYYRCIRJTJ-NEPJUHHUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCOCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573335564 947482191 /nfs/dbraw/zinc/48/21/91/947482191.db2.gz AQZKDDFZMNYMMI-UHFFFAOYSA-N -1 1 358.406 0.619 20 30 FCEDMM C=CCCOCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573335564 947482196 /nfs/dbraw/zinc/48/21/96/947482196.db2.gz AQZKDDFZMNYMMI-UHFFFAOYSA-N -1 1 358.406 0.619 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573335814 947490231 /nfs/dbraw/zinc/49/02/31/947490231.db2.gz DTZBHZCKTKKUSC-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573335814 947490238 /nfs/dbraw/zinc/49/02/38/947490238.db2.gz DTZBHZCKTKKUSC-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573335837 947490405 /nfs/dbraw/zinc/49/04/05/947490405.db2.gz FDFSOFWRHIAQPA-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573335837 947490410 /nfs/dbraw/zinc/49/04/10/947490410.db2.gz FDFSOFWRHIAQPA-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336125 947501647 /nfs/dbraw/zinc/50/16/47/947501647.db2.gz JACVXGIYVZOLFZ-OLZOCXBDSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336125 947501655 /nfs/dbraw/zinc/50/16/55/947501655.db2.gz JACVXGIYVZOLFZ-OLZOCXBDSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573337145 947514218 /nfs/dbraw/zinc/51/42/18/947514218.db2.gz VECOKLXPMPRNOR-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM COc1cc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc(OC)c1 ZINC000826180655 947559073 /nfs/dbraw/zinc/55/90/73/947559073.db2.gz REXVEWZVARIVNW-UHFFFAOYSA-N -1 1 354.330 0.591 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573343837 947563656 /nfs/dbraw/zinc/56/36/56/947563656.db2.gz TUFWPGOYUPPVOJ-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573358349 947661301 /nfs/dbraw/zinc/66/13/01/947661301.db2.gz ISCWBWUSJFFDPW-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573358349 947661308 /nfs/dbraw/zinc/66/13/08/947661308.db2.gz ISCWBWUSJFFDPW-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573358440 947663483 /nfs/dbraw/zinc/66/34/83/947663483.db2.gz KRMHFZGEDAGTGJ-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573358907 947671991 /nfs/dbraw/zinc/67/19/91/947671991.db2.gz MAQCBLBIQJRQMZ-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573358907 947671995 /nfs/dbraw/zinc/67/19/95/947671995.db2.gz MAQCBLBIQJRQMZ-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM Cc1ccccc1Nc1nc(N)nc(Cn2cnc(C#N)c2-c2nn[n-]n2)n1 ZINC000826307779 947882867 /nfs/dbraw/zinc/88/28/67/947882867.db2.gz WKEZFDKNSVBNHN-UHFFFAOYSA-N -1 1 374.372 0.802 20 30 FCEDMM Cc1onc(CC(=O)NCCNc2ncccc2C#N)c1-c1nnn[n-]1 ZINC000826347452 948053333 /nfs/dbraw/zinc/05/33/33/948053333.db2.gz ROCCNBHGHMJRCA-UHFFFAOYSA-N -1 1 353.346 0.201 20 30 FCEDMM Cc1onc(CC(=O)NCCNc2ncccc2C#N)c1-c1nn[n-]n1 ZINC000826347452 948053345 /nfs/dbraw/zinc/05/33/45/948053345.db2.gz ROCCNBHGHMJRCA-UHFFFAOYSA-N -1 1 353.346 0.201 20 30 FCEDMM CC(=O)N(CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1 ZINC001573415431 948109671 /nfs/dbraw/zinc/10/96/71/948109671.db2.gz RUFMKEIWIFXBRQ-UHFFFAOYSA-N -1 1 351.330 0.453 20 30 FCEDMM C[C@@H](c1nccs1)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001575521962 949266784 /nfs/dbraw/zinc/26/67/84/949266784.db2.gz JJGUVSYRKLQNPX-JTQLQIEISA-N -1 1 368.430 0.868 20 30 FCEDMM C[C@@H](c1nccs1)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001575521962 949266800 /nfs/dbraw/zinc/26/68/00/949266800.db2.gz JJGUVSYRKLQNPX-JTQLQIEISA-N -1 1 368.430 0.868 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001570963560 950094859 /nfs/dbraw/zinc/09/48/59/950094859.db2.gz YRVDULSHZULKSE-SUZMYJTESA-N -1 1 353.390 0.162 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001570963560 950094881 /nfs/dbraw/zinc/09/48/81/950094881.db2.gz YRVDULSHZULKSE-SUZMYJTESA-N -1 1 353.390 0.162 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574982760 950182925 /nfs/dbraw/zinc/18/29/25/950182925.db2.gz GNAFPLZGOQKNKU-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574982760 950182940 /nfs/dbraw/zinc/18/29/40/950182940.db2.gz GNAFPLZGOQKNKU-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001570971348 950322914 /nfs/dbraw/zinc/32/29/14/950322914.db2.gz MRJIZKSEMOCBEY-WDEREUQCSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001570971348 950322933 /nfs/dbraw/zinc/32/29/33/950322933.db2.gz MRJIZKSEMOCBEY-WDEREUQCSA-N -1 1 355.406 0.855 20 30 FCEDMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573862628 950473208 /nfs/dbraw/zinc/47/32/08/950473208.db2.gz YGBNOJZGZHAKEN-JGVFFNPUSA-N -1 1 358.362 0.768 20 30 FCEDMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575915663 950521569 /nfs/dbraw/zinc/52/15/69/950521569.db2.gz NRLFLSXFJDOZEE-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575915663 950521591 /nfs/dbraw/zinc/52/15/91/950521591.db2.gz NRLFLSXFJDOZEE-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cc[nH]n1 ZINC001590648295 950961287 /nfs/dbraw/zinc/96/12/87/950961287.db2.gz FHPFBWWUQUZQDN-OAHLLOKOSA-N -1 1 352.347 0.017 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938131 950971164 /nfs/dbraw/zinc/97/11/64/950971164.db2.gz NCGWMMGJANQFHF-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938131 950971176 /nfs/dbraw/zinc/97/11/76/950971176.db2.gz NCGWMMGJANQFHF-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cc[nH]n1 ZINC001590648605 950971561 /nfs/dbraw/zinc/97/15/61/950971561.db2.gz WUAAXCQYEICCCV-GHMZBOCLSA-N -1 1 366.374 0.263 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571008199 951198948 /nfs/dbraw/zinc/19/89/48/951198948.db2.gz APZPYROLURVJAJ-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571008199 951198956 /nfs/dbraw/zinc/19/89/56/951198956.db2.gz APZPYROLURVJAJ-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008766 951200276 /nfs/dbraw/zinc/20/02/76/951200276.db2.gz FUDMHNZNZAAOAK-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008766 951200288 /nfs/dbraw/zinc/20/02/88/951200288.db2.gz FUDMHNZNZAAOAK-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008764 951202601 /nfs/dbraw/zinc/20/26/01/951202601.db2.gz FUDMHNZNZAAOAK-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008764 951202608 /nfs/dbraw/zinc/20/26/08/951202608.db2.gz FUDMHNZNZAAOAK-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009434 951210401 /nfs/dbraw/zinc/21/04/01/951210401.db2.gz LSOLWHCGGYPJCP-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009434 951210404 /nfs/dbraw/zinc/21/04/04/951210404.db2.gz LSOLWHCGGYPJCP-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571009612 951213160 /nfs/dbraw/zinc/21/31/60/951213160.db2.gz NHDCVVSTNGCUHY-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571009612 951213175 /nfs/dbraw/zinc/21/31/75/951213175.db2.gz NHDCVVSTNGCUHY-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001571011117 951227551 /nfs/dbraw/zinc/22/75/51/951227551.db2.gz ZUHSZCKSCTVKHN-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001571011117 951227561 /nfs/dbraw/zinc/22/75/61/951227561.db2.gz ZUHSZCKSCTVKHN-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM N#Cc1nc(N2CCCN(Cc3cscn3)CC2)cnc1-c1nnn[n-]1 ZINC001571050700 951797971 /nfs/dbraw/zinc/79/79/71/951797971.db2.gz TUXGCQVWCNONSZ-UHFFFAOYSA-N -1 1 368.430 0.697 20 30 FCEDMM N#Cc1nc(N2CCCN(Cc3cscn3)CC2)cnc1-c1nn[n-]n1 ZINC001571050700 951797978 /nfs/dbraw/zinc/79/79/78/951797978.db2.gz TUXGCQVWCNONSZ-UHFFFAOYSA-N -1 1 368.430 0.697 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001571055926 951865117 /nfs/dbraw/zinc/86/51/17/951865117.db2.gz QVVCUJPPGBBMOT-UWVGGRQHSA-N -1 1 369.389 0.726 20 30 FCEDMM CS(=O)(=O)Cc1cccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001571070865 952045552 /nfs/dbraw/zinc/04/55/52/952045552.db2.gz PYQRFEPTEOWQSB-UHFFFAOYSA-N -1 1 370.398 0.685 20 30 FCEDMM CS(=O)(=O)Cc1cccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001571070865 952045562 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ZINC001573943713 1270948563 /nfs/dbraw/zinc/94/85/63/1270948563.db2.gz WSOVWKKBVVXCTC-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580642445 1278613945 /nfs/dbraw/zinc/61/39/45/1278613945.db2.gz ZKLWQIJVUDRTRR-UHFFFAOYSA-N -1 1 352.362 0.031 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580642445 1278613957 /nfs/dbraw/zinc/61/39/57/1278613957.db2.gz ZKLWQIJVUDRTRR-UHFFFAOYSA-N -1 1 352.362 0.031 20 30 FCEDMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574802952 1271539797 /nfs/dbraw/zinc/53/97/97/1271539797.db2.gz HGHLCYPFMNDAHY-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580660364 1278657398 /nfs/dbraw/zinc/65/73/98/1278657398.db2.gz ZWOVKHCTTOFVOD-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580660364 1278657408 /nfs/dbraw/zinc/65/74/08/1278657408.db2.gz ZWOVKHCTTOFVOD-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580661670 1278663472 /nfs/dbraw/zinc/66/34/72/1278663472.db2.gz DGACZLYXRFSPIX-JQWIXIFHSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@H](C)NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580661670 1278663480 /nfs/dbraw/zinc/66/34/80/1278663480.db2.gz DGACZLYXRFSPIX-JQWIXIFHSA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575320880 1271924572 /nfs/dbraw/zinc/92/45/72/1271924572.db2.gz XHXKGIMIYRXSBG-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575320880 1271924579 /nfs/dbraw/zinc/92/45/79/1271924579.db2.gz XHXKGIMIYRXSBG-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CCCNC(=O)[C@H](C)C#N)n1 ZINC001580668143 1278677587 /nfs/dbraw/zinc/67/75/87/1278677587.db2.gz MAZSUAPWZRQXEH-DGCLKSJQSA-N -1 1 369.433 0.990 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CCCNC(=O)[C@H](C)C#N)n1 ZINC001580668143 1278677594 /nfs/dbraw/zinc/67/75/94/1278677594.db2.gz MAZSUAPWZRQXEH-DGCLKSJQSA-N -1 1 369.433 0.990 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580723739 1278809683 /nfs/dbraw/zinc/80/96/83/1278809683.db2.gz QPLRBUALGOALEU-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580723739 1278809697 /nfs/dbraw/zinc/80/96/97/1278809697.db2.gz QPLRBUALGOALEU-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001576872932 1273847144 /nfs/dbraw/zinc/84/71/44/1273847144.db2.gz IXIOJJZDJKEEML-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001576872932 1273847146 /nfs/dbraw/zinc/84/71/46/1273847146.db2.gz IXIOJJZDJKEEML-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577120720 1274174768 /nfs/dbraw/zinc/17/47/68/1274174768.db2.gz ZREDHSVMGKCDKB-NSHDSACASA-N -1 1 355.406 0.421 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580740682 1278844384 /nfs/dbraw/zinc/84/43/84/1278844384.db2.gz IJTZHLOYGJSAGS-PWSUYJOCSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580740682 1278844391 /nfs/dbraw/zinc/84/43/91/1278844391.db2.gz IJTZHLOYGJSAGS-PWSUYJOCSA-N -1 1 355.406 0.775 20 30 FCEDMM CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577784376 1274881924 /nfs/dbraw/zinc/88/19/24/1274881924.db2.gz XQRPTFUASWOWJJ-CMPLNLGQSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577784376 1274881935 /nfs/dbraw/zinc/88/19/35/1274881935.db2.gz XQRPTFUASWOWJJ-CMPLNLGQSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nnn[n-]2)nn1 ZINC001578066760 1275364963 /nfs/dbraw/zinc/36/49/63/1275364963.db2.gz GUIHYSQUHVIFKL-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC001578066760 1275364970 /nfs/dbraw/zinc/36/49/70/1275364970.db2.gz GUIHYSQUHVIFKL-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(c1nccnc1-c1nnn[n-]1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578207739 1275498520 /nfs/dbraw/zinc/49/85/20/1275498520.db2.gz BKRHKPPLVVCYFQ-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1nccnc1-c1nn[n-]n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578207739 1275498524 /nfs/dbraw/zinc/49/85/24/1275498524.db2.gz BKRHKPPLVVCYFQ-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)[C@@]1(COC)CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001578243943 1275545750 /nfs/dbraw/zinc/54/57/50/1275545750.db2.gz FKSBLKCYRJDEQL-INIZCTEOSA-N -1 1 372.389 0.324 20 30 FCEDMM CCOC(=O)[C@@]1(COC)CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001578243943 1275545755 /nfs/dbraw/zinc/54/57/55/1275545755.db2.gz FKSBLKCYRJDEQL-INIZCTEOSA-N -1 1 372.389 0.324 20 30 FCEDMM CCOC(=O)N(C)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001578246306 1275550261 /nfs/dbraw/zinc/55/02/61/1275550261.db2.gz LELZOLDOLOHBKN-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM CCO[C@@H]1C[C@H](O)C12CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001578335503 1275683982 /nfs/dbraw/zinc/68/39/82/1275683982.db2.gz RNPSEJQQDWXUPJ-NWDGAFQWSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001578380153 1275756771 /nfs/dbraw/zinc/75/67/71/1275756771.db2.gz AKLJGUUJKRQYBN-DMDPSCGWSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001578380153 1275756777 /nfs/dbraw/zinc/75/67/77/1275756777.db2.gz AKLJGUUJKRQYBN-DMDPSCGWSA-N -1 1 371.405 0.092 20 30 FCEDMM CCSc1c[nH]c(=O)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001578416868 1275786543 /nfs/dbraw/zinc/78/65/43/1275786543.db2.gz AOKNTBLLBWZVJQ-UHFFFAOYSA-N -1 1 357.359 0.926 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)n1 ZINC001578579250 1276011990 /nfs/dbraw/zinc/01/19/90/1276011990.db2.gz VYNKBACEEABOMQ-UTUOFQBUSA-N -1 1 367.417 0.558 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)n1 ZINC001578579250 1276011994 /nfs/dbraw/zinc/01/19/94/1276011994.db2.gz VYNKBACEEABOMQ-UTUOFQBUSA-N -1 1 367.417 0.558 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578583811 1276016087 /nfs/dbraw/zinc/01/60/87/1276016087.db2.gz HVNTUQVBYOQXFB-QWRGUYRKSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578583811 1276016093 /nfs/dbraw/zinc/01/60/93/1276016093.db2.gz HVNTUQVBYOQXFB-QWRGUYRKSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)n1 ZINC001578629408 1276076384 /nfs/dbraw/zinc/07/63/84/1276076384.db2.gz XZLWAKZPMORLCL-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)n1 ZINC001578629408 1276076388 /nfs/dbraw/zinc/07/63/88/1276076388.db2.gz XZLWAKZPMORLCL-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)n1 ZINC001578664517 1276114972 /nfs/dbraw/zinc/11/49/72/1276114972.db2.gz BQNQFQMCMSLDFI-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)n1 ZINC001578664517 1276114977 /nfs/dbraw/zinc/11/49/77/1276114977.db2.gz BQNQFQMCMSLDFI-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CN(C)c1cnn(C2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)c1 ZINC001579001454 1276571913 /nfs/dbraw/zinc/57/19/13/1276571913.db2.gz AFKTYSNMHOGCID-UHFFFAOYSA-N -1 1 365.405 0.632 20 30 FCEDMM CN(C)c1cnn(C2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)c1 ZINC001579001454 1276571915 /nfs/dbraw/zinc/57/19/15/1276571915.db2.gz AFKTYSNMHOGCID-UHFFFAOYSA-N -1 1 365.405 0.632 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579152303 1276887469 /nfs/dbraw/zinc/88/74/69/1276887469.db2.gz KDBATTUABOOGPO-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579152303 1276887486 /nfs/dbraw/zinc/88/74/86/1276887486.db2.gz KDBATTUABOOGPO-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(Cc1nccn1CC(F)(F)F)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579265484 1277061975 /nfs/dbraw/zinc/06/19/75/1277061975.db2.gz IHXFWVLSOWKXIW-UHFFFAOYSA-N -1 1 364.295 0.924 20 30 FCEDMM CN(Cc1nccn1CC(F)(F)F)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579265484 1277061978 /nfs/dbraw/zinc/06/19/78/1277061978.db2.gz IHXFWVLSOWKXIW-UHFFFAOYSA-N -1 1 364.295 0.924 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001579284470 1277105168 /nfs/dbraw/zinc/10/51/68/1277105168.db2.gz MCJFLEUIQJTOSL-SNVBAGLBSA-N -1 1 371.405 0.974 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001579284470 1277105171 /nfs/dbraw/zinc/10/51/71/1277105171.db2.gz MCJFLEUIQJTOSL-SNVBAGLBSA-N -1 1 371.405 0.974 20 30 FCEDMM COC(=O)c1ccccc1CCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579487879 1277396686 /nfs/dbraw/zinc/39/66/86/1277396686.db2.gz QTUGAZNMWURUEB-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM COC(=O)c1ccccc1CCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579487879 1277396696 /nfs/dbraw/zinc/39/66/96/1277396696.db2.gz QTUGAZNMWURUEB-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM COC(=O)c1ccc2c(c1)CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001579486063 1277397022 /nfs/dbraw/zinc/39/70/22/1277397022.db2.gz GVWPFESSLYUORT-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COc1ccc(OC)c([C@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001580048123 1277998641 /nfs/dbraw/zinc/99/86/41/1277998641.db2.gz FHDAHGFDRDJRHR-GFCCVEGCSA-N -1 1 368.357 0.691 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001603188662 1287324975 /nfs/dbraw/zinc/32/49/75/1287324975.db2.gz BDDHNZZHGIMFOT-KBPBESRZSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001603188662 1287324981 /nfs/dbraw/zinc/32/49/81/1287324981.db2.gz BDDHNZZHGIMFOT-KBPBESRZSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603188616 1287324995 /nfs/dbraw/zinc/32/49/95/1287324995.db2.gz AFBJHRRDDNCUAJ-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603188616 1287325002 /nfs/dbraw/zinc/32/50/02/1287325002.db2.gz AFBJHRRDDNCUAJ-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)NCCOCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001603189594 1287326293 /nfs/dbraw/zinc/32/62/93/1287326293.db2.gz PQKVLMVLTSMQDE-UHFFFAOYSA-N -1 1 358.406 0.251 20 30 FCEDMM CC(C)C#CC(=O)NCCOCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001603189594 1287326301 /nfs/dbraw/zinc/32/63/01/1287326301.db2.gz PQKVLMVLTSMQDE-UHFFFAOYSA-N -1 1 358.406 0.251 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001603190316 1287326481 /nfs/dbraw/zinc/32/64/81/1287326481.db2.gz XVSDQGONMVUABE-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001603190316 1287326486 /nfs/dbraw/zinc/32/64/86/1287326486.db2.gz XVSDQGONMVUABE-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189591 1287326608 /nfs/dbraw/zinc/32/66/08/1287326608.db2.gz POECAFGZWOOENR-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189591 1287326612 /nfs/dbraw/zinc/32/66/12/1287326612.db2.gz POECAFGZWOOENR-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603220009 1287335395 /nfs/dbraw/zinc/33/53/95/1287335395.db2.gz XSLUYWYCYDNSTB-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603220009 1287335397 /nfs/dbraw/zinc/33/53/97/1287335397.db2.gz XSLUYWYCYDNSTB-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM Cc1cccc(OC[C@@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001581247139 1279523328 /nfs/dbraw/zinc/52/33/28/1279523328.db2.gz YPOWMQUSJZWQFK-NSHDSACASA-N -1 1 352.358 0.689 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC1=NS(=O)(=O)c2ccccc21 ZINC001581410492 1279875853 /nfs/dbraw/zinc/87/58/53/1279875853.db2.gz LFIKUOVCDWDMRQ-UHFFFAOYSA-N -1 1 354.355 0.435 20 30 FCEDMM Cc1nc(C#N)cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001581411451 1279882168 /nfs/dbraw/zinc/88/21/68/1279882168.db2.gz AXXRBGYVYWINIT-SNVBAGLBSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nc(C#N)cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001581411451 1279882180 /nfs/dbraw/zinc/88/21/80/1279882180.db2.gz AXXRBGYVYWINIT-SNVBAGLBSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nsc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)c1-c1nn[n-]n1 ZINC001581663943 1280373558 /nfs/dbraw/zinc/37/35/58/1280373558.db2.gz FWRILJZSSRBXLS-UHFFFAOYSA-N -1 1 357.403 0.698 20 30 FCEDMM Cc1nsc(NCCN(CCO)C(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001581719396 1280414982 /nfs/dbraw/zinc/41/49/82/1280414982.db2.gz JBOPKGPHEZIQLH-MRVPVSSYSA-N -1 1 350.408 0.024 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CCN2CSCCSC2)nc1-c1nn[nH]n1 ZINC001581860119 1280612522 /nfs/dbraw/zinc/61/25/22/1280612522.db2.gz LEZKDAHIAVNULJ-UHFFFAOYSA-N -1 1 365.448 0.487 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccn(CCC(F)(F)F)n2)nc1-c1nn[nH]n1 ZINC001581860618 1280614360 /nfs/dbraw/zinc/61/43/60/1280614360.db2.gz KCWQNTZMWDLLHA-UHFFFAOYSA-N -1 1 366.267 0.863 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001581864299 1280616124 /nfs/dbraw/zinc/61/61/24/1280616124.db2.gz QEWTUOGGPPDNAS-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001581864299 1280616131 /nfs/dbraw/zinc/61/61/31/1280616131.db2.gz QEWTUOGGPPDNAS-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864653 1280619609 /nfs/dbraw/zinc/61/96/09/1280619609.db2.gz GVLQMJPNXSKZBX-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864653 1280619617 /nfs/dbraw/zinc/61/96/17/1280619617.db2.gz GVLQMJPNXSKZBX-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)c[nH]1 ZINC001581865457 1280620166 /nfs/dbraw/zinc/62/01/66/1280620166.db2.gz JYQLJNNHBRLWPU-ZDUSSCGKSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)c[nH]1 ZINC001581865457 1280620175 /nfs/dbraw/zinc/62/01/75/1280620175.db2.gz JYQLJNNHBRLWPU-ZDUSSCGKSA-N -1 1 364.373 0.477 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603600797 1287435307 /nfs/dbraw/zinc/43/53/07/1287435307.db2.gz BAHJPQSRUSSLFI-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603600797 1287435312 /nfs/dbraw/zinc/43/53/12/1287435312.db2.gz BAHJPQSRUSSLFI-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1cccc2c1CCN2S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001581875692 1280629893 /nfs/dbraw/zinc/62/98/93/1280629893.db2.gz LACJMBFGUPGQAZ-UHFFFAOYSA-N -1 1 353.367 0.885 20 30 FCEDMM N#Cc1csc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001581878738 1280634114 /nfs/dbraw/zinc/63/41/14/1280634114.db2.gz ZGGQWBZACBOTTH-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1csc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001581878738 1280634125 /nfs/dbraw/zinc/63/41/25/1280634125.db2.gz ZGGQWBZACBOTTH-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1cnc(N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)c(Cl)c1 ZINC001581877819 1280634297 /nfs/dbraw/zinc/63/42/97/1280634297.db2.gz LCTAEKKERDCIIQ-UHFFFAOYSA-N -1 1 371.748 0.110 20 30 FCEDMM N#Cc1nc(N2CCn3c(Br)cnc3C2)cnc1-c1nnn[n-]1 ZINC001581879805 1280636426 /nfs/dbraw/zinc/63/64/26/1280636426.db2.gz YDYVYBNURFPSRR-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1nc(N2CCn3c(Br)cnc3C2)cnc1-c1nn[n-]n1 ZINC001581879805 1280636434 /nfs/dbraw/zinc/63/64/34/1280636434.db2.gz YDYVYBNURFPSRR-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ncccc3F)C2)cnc1-c1nnn[n-]1 ZINC001581880177 1280636572 /nfs/dbraw/zinc/63/65/72/1280636572.db2.gz BXYHENJHRJQJIO-SECBINFHSA-N -1 1 352.337 0.753 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ncccc3F)C2)cnc1-c1nn[n-]n1 ZINC001581880177 1280636581 /nfs/dbraw/zinc/63/65/81/1280636581.db2.gz BXYHENJHRJQJIO-SECBINFHSA-N -1 1 352.337 0.753 20 30 FCEDMM N#Cc1nc(N2CCn3ncc(Br)c3C2)cnc1-c1nnn[n-]1 ZINC001581879275 1280637245 /nfs/dbraw/zinc/63/72/45/1280637245.db2.gz DZKMIWCURSYDHK-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1nc(N2CCn3ncc(Br)c3C2)cnc1-c1nn[n-]n1 ZINC001581879275 1280637251 /nfs/dbraw/zinc/63/72/51/1280637251.db2.gz DZKMIWCURSYDHK-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1nc(N2CCn3c(nnc3C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581879228 1280638256 /nfs/dbraw/zinc/63/82/56/1280638256.db2.gz CGKVZXZDUGYUFP-UHFFFAOYSA-N -1 1 363.389 0.798 20 30 FCEDMM N#Cc1nc(N2CCn3c(nnc3C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581879228 1280638261 /nfs/dbraw/zinc/63/82/61/1280638261.db2.gz CGKVZXZDUGYUFP-UHFFFAOYSA-N -1 1 363.389 0.798 20 30 FCEDMM N#Cc1nc(NC[C@@H](n2cccn2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880123 1280639144 /nfs/dbraw/zinc/63/91/44/1280639144.db2.gz AAQONBKUPJYLTB-MRVPVSSYSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1nc(NC[C@@H](n2cccn2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880123 1280639151 /nfs/dbraw/zinc/63/91/51/1280639151.db2.gz AAQONBKUPJYLTB-MRVPVSSYSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1nc(N[C@@H]2CS(=O)(=O)Cc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880779 1280639618 /nfs/dbraw/zinc/63/96/18/1280639618.db2.gz VKCKXHXHSGNADK-GFCCVEGCSA-N -1 1 368.382 0.610 20 30 FCEDMM N#Cc1nc(N[C@@H]2CS(=O)(=O)Cc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880779 1280639628 /nfs/dbraw/zinc/63/96/28/1280639628.db2.gz VKCKXHXHSGNADK-GFCCVEGCSA-N -1 1 368.382 0.610 20 30 FCEDMM N#Cc1nc(NCC[C@@H](O)COCc2ccccc2)cnc1-c1nnn[n-]1 ZINC001581881090 1280639839 /nfs/dbraw/zinc/63/98/39/1280639839.db2.gz JEXLUBSCEQVLAG-CYBMUJFWSA-N -1 1 366.385 0.908 20 30 FCEDMM N#Cc1nc(NCC[C@@H](O)COCc2ccccc2)cnc1-c1nn[n-]n1 ZINC001581881090 1280639844 /nfs/dbraw/zinc/63/98/44/1280639844.db2.gz JEXLUBSCEQVLAG-CYBMUJFWSA-N -1 1 366.385 0.908 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(C3CCCCC3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880611 1280639929 /nfs/dbraw/zinc/63/99/29/1280639929.db2.gz PXECKOOXWCMBJN-LLVKDONJSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(C3CCCCC3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880611 1280639934 /nfs/dbraw/zinc/63/99/34/1280639934.db2.gz PXECKOOXWCMBJN-LLVKDONJSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N2CCN(C(=O)C3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC001581881827 1280641296 /nfs/dbraw/zinc/64/12/96/1280641296.db2.gz BNQQZPIMIBOWEF-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(NC[C@H](N2CCOCC2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880614 1280641632 /nfs/dbraw/zinc/64/16/32/1280641632.db2.gz PYCNRNGGPRCCDG-VIFPVBQESA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1nc(NC[C@H](N2CCOCC2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880614 1280641643 /nfs/dbraw/zinc/64/16/43/1280641643.db2.gz PYCNRNGGPRCCDG-VIFPVBQESA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1nc(NCc2cccc(N3CCOCC3)n2)cnc1-c1nnn[n-]1 ZINC001581881155 1280641832 /nfs/dbraw/zinc/64/18/32/1280641832.db2.gz MTHXOMRLPOMODR-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(NCc2cccc(N3CCOCC3)n2)cnc1-c1nn[n-]n1 ZINC001581881155 1280641843 /nfs/dbraw/zinc/64/18/43/1280641843.db2.gz MTHXOMRLPOMODR-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(N2CC[C@](C(N)=O)(c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581882169 1280644476 /nfs/dbraw/zinc/64/44/76/1280644476.db2.gz NOMYYNPVUKTYIJ-QGZVFWFLSA-N -1 1 361.369 0.162 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603603502 1287437416 /nfs/dbraw/zinc/43/74/16/1287437416.db2.gz PQYTUBGWALYUMM-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603603502 1287437425 /nfs/dbraw/zinc/43/74/25/1287437425.db2.gz PQYTUBGWALYUMM-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1ncc(N2CCN(C(=O)c3ccco3)CC2)nc1-c1nn[n-]n1 ZINC001581882204 1280645676 /nfs/dbraw/zinc/64/56/76/1280645676.db2.gz PHWHKGUWVSPJCQ-UHFFFAOYSA-N -1 1 351.330 0.084 20 30 FCEDMM N#Cc1ncc(NC[C@@H](O)COc2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001581883034 1280648139 /nfs/dbraw/zinc/64/81/39/1280648139.db2.gz NIFROONLUIDSRM-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1ncc(NCC[C@]2(O)C(=O)Nc3ccccc32)nc1-c1nn[n-]n1 ZINC001581884063 1280649001 /nfs/dbraw/zinc/64/90/01/1280649001.db2.gz ITGYKJRNVWAOBT-MRXNPFEDSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)CO2)nc1-c1nn[n-]n1 ZINC001581884098 1280649219 /nfs/dbraw/zinc/64/92/19/1280649219.db2.gz KQQPKNHCCYSCNG-LLVKDONJSA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1ncc(NC[C@H]2CS(=O)(=O)c3ccccc32)nc1-c1nn[n-]n1 ZINC001581883923 1280649892 /nfs/dbraw/zinc/64/98/92/1280649892.db2.gz CCXCBCFTMMGYSI-VIFPVBQESA-N -1 1 368.382 0.511 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603853519 1287520370 /nfs/dbraw/zinc/52/03/70/1287520370.db2.gz QVHVOIFATIEQAQ-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603853519 1287520376 /nfs/dbraw/zinc/52/03/76/1287520376.db2.gz QVHVOIFATIEQAQ-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C#C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC001588328688 1282422154 /nfs/dbraw/zinc/42/21/54/1282422154.db2.gz NOJNUIUJNFUSHW-NSHDSACASA-N -1 1 371.788 0.704 20 30 FCEDMM C#CC1(O)CN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001588333382 1282425016 /nfs/dbraw/zinc/42/50/16/1282425016.db2.gz OQUODPICBUGVCQ-UHFFFAOYSA-N -1 1 361.408 0.450 20 30 FCEDMM C#CC[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001588334296 1282426982 /nfs/dbraw/zinc/42/69/82/1282426982.db2.gz SKBSYXZIHGUQHW-ZDUSSCGKSA-N -1 1 365.353 0.010 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335966 1282428818 /nfs/dbraw/zinc/42/88/18/1282428818.db2.gz DNKFCVKDJXKCLU-QWHCGFSZSA-N -1 1 354.418 0.389 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](CC)C1 ZINC001588336582 1282428863 /nfs/dbraw/zinc/42/88/63/1282428863.db2.gz QNCMVIIIGQDQBF-KBPBESRZSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588336129 1282428884 /nfs/dbraw/zinc/42/88/84/1282428884.db2.gz IHIWBIIIQWBPFI-CYBMUJFWSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588336166 1282429118 /nfs/dbraw/zinc/42/91/18/1282429118.db2.gz JGLKTLRAQIQZIE-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588336166 1282429126 /nfs/dbraw/zinc/42/91/26/1282429126.db2.gz JGLKTLRAQIQZIE-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588339132 1282432101 /nfs/dbraw/zinc/43/21/01/1282432101.db2.gz KTIJTTHHOYYWDH-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588339132 1282432107 /nfs/dbraw/zinc/43/21/07/1282432107.db2.gz KTIJTTHHOYYWDH-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)NC[C@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588339007 1282432462 /nfs/dbraw/zinc/43/24/62/1282432462.db2.gz STGDCWYXVIEOSF-LBPRGKRZSA-N -1 1 356.434 0.964 20 30 FCEDMM C#CCCCC(=O)NC[C@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588339007 1282432470 /nfs/dbraw/zinc/43/24/70/1282432470.db2.gz STGDCWYXVIEOSF-LBPRGKRZSA-N -1 1 356.434 0.964 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588338571 1282432900 /nfs/dbraw/zinc/43/29/00/1282432900.db2.gz MMIBKOUTXNYHCU-GFCCVEGCSA-N -1 1 354.418 0.718 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588338571 1282432904 /nfs/dbraw/zinc/43/29/04/1282432904.db2.gz MMIBKOUTXNYHCU-GFCCVEGCSA-N -1 1 354.418 0.718 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001588338677 1282433209 /nfs/dbraw/zinc/43/32/09/1282433209.db2.gz GGFYXBOCRBYNQG-BETUJISGSA-N -1 1 352.402 0.355 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588338677 1282433215 /nfs/dbraw/zinc/43/32/15/1282433215.db2.gz GGFYXBOCRBYNQG-BETUJISGSA-N -1 1 352.402 0.355 20 30 FCEDMM C#CCCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588340621 1282437199 /nfs/dbraw/zinc/43/71/99/1282437199.db2.gz YGCQQHFYGKLCOI-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588340621 1282437202 /nfs/dbraw/zinc/43/72/02/1282437202.db2.gz YGCQQHFYGKLCOI-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588342678 1282437805 /nfs/dbraw/zinc/43/78/05/1282437805.db2.gz PPWBGLNCUAKJES-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588342678 1282437808 /nfs/dbraw/zinc/43/78/08/1282437808.db2.gz PPWBGLNCUAKJES-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588343880 1282440062 /nfs/dbraw/zinc/44/00/62/1282440062.db2.gz VIUYFUBWUKBQBG-ZIAGYGMSSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588345288 1282440742 /nfs/dbraw/zinc/44/07/42/1282440742.db2.gz XWHASFSRCQBLSY-UHFFFAOYSA-N -1 1 354.418 0.723 20 30 FCEDMM C#CCCCCCC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344692 1282440959 /nfs/dbraw/zinc/44/09/59/1282440959.db2.gz AKOIRYGYTJYOPJ-HDJSIYSDSA-N -1 1 368.445 0.969 20 30 FCEDMM C#CCN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588350670 1282443572 /nfs/dbraw/zinc/44/35/72/1282443572.db2.gz KRIPACLQDRITJQ-UHFFFAOYSA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCN(CC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588350670 1282443576 /nfs/dbraw/zinc/44/35/76/1282443576.db2.gz KRIPACLQDRITJQ-UHFFFAOYSA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCN1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001588353281 1282448990 /nfs/dbraw/zinc/44/89/90/1282448990.db2.gz MWWSSBFHPQMENB-UHFFFAOYSA-N -1 1 352.445 0.009 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001588355365 1282453886 /nfs/dbraw/zinc/45/38/86/1282453886.db2.gz HFNXSQSOAIKRHG-GFCCVEGCSA-N -1 1 360.443 0.611 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588355691 1282454934 /nfs/dbraw/zinc/45/49/34/1282454934.db2.gz LJTYHMMGHGJGIR-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588355691 1282454946 /nfs/dbraw/zinc/45/49/46/1282454946.db2.gz LJTYHMMGHGJGIR-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356393 1282459674 /nfs/dbraw/zinc/45/96/74/1282459674.db2.gz WXDFYYVSXWKITI-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356393 1282459678 /nfs/dbraw/zinc/45/96/78/1282459678.db2.gz WXDFYYVSXWKITI-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357350 1282464616 /nfs/dbraw/zinc/46/46/16/1282464616.db2.gz LRNLWDWIXNIRIP-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357350 1282464619 /nfs/dbraw/zinc/46/46/19/1282464619.db2.gz LRNLWDWIXNIRIP-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588357478 1282465611 /nfs/dbraw/zinc/46/56/11/1282465611.db2.gz KFRCZMKREWOZDS-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588357478 1282465615 /nfs/dbraw/zinc/46/56/15/1282465615.db2.gz KFRCZMKREWOZDS-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C\CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358004 1282467100 /nfs/dbraw/zinc/46/71/00/1282467100.db2.gz RUYSIKMSTRMRGR-FOQNGQEVSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C\CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358004 1282467103 /nfs/dbraw/zinc/46/71/03/1282467103.db2.gz RUYSIKMSTRMRGR-FOQNGQEVSA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588357612 1282467115 /nfs/dbraw/zinc/46/71/15/1282467115.db2.gz MBFVEKNWCKINCW-QMMMGPOBSA-N -1 1 369.838 0.885 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588357701 1282467242 /nfs/dbraw/zinc/46/72/42/1282467242.db2.gz PFYGEMTWWNENAZ-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588357701 1282467246 /nfs/dbraw/zinc/46/72/46/1282467246.db2.gz PFYGEMTWWNENAZ-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1nccnc1-c1nnn[n-]1 ZINC001588358045 1282468039 /nfs/dbraw/zinc/46/80/39/1282468039.db2.gz SOJZICRMZOZROT-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1nccnc1-c1nn[n-]n1 ZINC001588358045 1282468044 /nfs/dbraw/zinc/46/80/44/1282468044.db2.gz SOJZICRMZOZROT-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001588358347 1282468685 /nfs/dbraw/zinc/46/86/85/1282468685.db2.gz WHCGNHRYZXCTOV-NEPJUHHUSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001588358347 1282468690 /nfs/dbraw/zinc/46/86/90/1282468690.db2.gz WHCGNHRYZXCTOV-NEPJUHHUSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588358457 1282469527 /nfs/dbraw/zinc/46/95/27/1282469527.db2.gz SLMRFZDSGCVHED-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588358457 1282469532 /nfs/dbraw/zinc/46/95/32/1282469532.db2.gz SLMRFZDSGCVHED-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588358538 1282471073 /nfs/dbraw/zinc/47/10/73/1282471073.db2.gz YRTVXGQDKNLCGY-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588358538 1282471079 /nfs/dbraw/zinc/47/10/79/1282471079.db2.gz YRTVXGQDKNLCGY-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588358948 1282473175 /nfs/dbraw/zinc/47/31/75/1282473175.db2.gz DNURUMDFZHCCHY-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588358948 1282473179 /nfs/dbraw/zinc/47/31/79/1282473179.db2.gz DNURUMDFZHCCHY-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588359440 1282474051 /nfs/dbraw/zinc/47/40/51/1282474051.db2.gz OKIGDZQOJROMRY-CYBMUJFWSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588359440 1282474056 /nfs/dbraw/zinc/47/40/56/1282474056.db2.gz OKIGDZQOJROMRY-CYBMUJFWSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588359281 1282475422 /nfs/dbraw/zinc/47/54/22/1282475422.db2.gz JQVMIMGOHZJXGD-KRWDZBQOSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588359281 1282475426 /nfs/dbraw/zinc/47/54/26/1282475426.db2.gz JQVMIMGOHZJXGD-KRWDZBQOSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588359845 1282476946 /nfs/dbraw/zinc/47/69/46/1282476946.db2.gz YYFWNVZCQXZIRN-QGZVFWFLSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCOCCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588359845 1282476953 /nfs/dbraw/zinc/47/69/53/1282476953.db2.gz YYFWNVZCQXZIRN-QGZVFWFLSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588359642 1282477116 /nfs/dbraw/zinc/47/71/16/1282477116.db2.gz VRKQYYJJQKIMAP-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588359642 1282477119 /nfs/dbraw/zinc/47/71/19/1282477119.db2.gz VRKQYYJJQKIMAP-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360472 1282478673 /nfs/dbraw/zinc/47/86/73/1282478673.db2.gz QNYYJOYUXAPGES-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360472 1282478679 /nfs/dbraw/zinc/47/86/79/1282478679.db2.gz QNYYJOYUXAPGES-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588360822 1282480270 /nfs/dbraw/zinc/48/02/70/1282480270.db2.gz WKXNKYUPODVFPZ-RISCZKNCSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588360822 1282480274 /nfs/dbraw/zinc/48/02/74/1282480274.db2.gz WKXNKYUPODVFPZ-RISCZKNCSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588361394 1282481844 /nfs/dbraw/zinc/48/18/44/1282481844.db2.gz LPRGSLUQYHJMJT-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588361394 1282481849 /nfs/dbraw/zinc/48/18/49/1282481849.db2.gz LPRGSLUQYHJMJT-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588361319 1282482828 /nfs/dbraw/zinc/48/28/28/1282482828.db2.gz JVYTWACCEBGWEU-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588361517 1282484703 /nfs/dbraw/zinc/48/47/03/1282484703.db2.gz OVHRZAZZFNPWPX-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588361962 1282486302 /nfs/dbraw/zinc/48/63/02/1282486302.db2.gz VDZFXUIFTLWOTA-ZDUSSCGKSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588361962 1282486306 /nfs/dbraw/zinc/48/63/06/1282486306.db2.gz VDZFXUIFTLWOTA-ZDUSSCGKSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCSCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001588364071 1282488973 /nfs/dbraw/zinc/48/89/73/1282488973.db2.gz RDZXNEDPTRXMRS-UHFFFAOYSA-N -1 1 355.420 0.959 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364499 1282491722 /nfs/dbraw/zinc/49/17/22/1282491722.db2.gz HMLKAEAZNYOUHH-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364499 1282491729 /nfs/dbraw/zinc/49/17/29/1282491729.db2.gz HMLKAEAZNYOUHH-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001588364506 1282491994 /nfs/dbraw/zinc/49/19/94/1282491994.db2.gz HNDQAMWGLUSLCI-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001588364506 1282492000 /nfs/dbraw/zinc/49/20/00/1282492000.db2.gz HNDQAMWGLUSLCI-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588368211 1282494021 /nfs/dbraw/zinc/49/40/21/1282494021.db2.gz RJADQEZXSNWMEI-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588368211 1282494025 /nfs/dbraw/zinc/49/40/25/1282494025.db2.gz RJADQEZXSNWMEI-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588368540 1282494149 /nfs/dbraw/zinc/49/41/49/1282494149.db2.gz VHRWCDNLRNKJJY-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001588379411 1282495036 /nfs/dbraw/zinc/49/50/36/1282495036.db2.gz GAYUVMNJLQIKQF-NSHDSACASA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381369 1282497624 /nfs/dbraw/zinc/49/76/24/1282497624.db2.gz ZKDSRWYOEIPSDC-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381369 1282497633 /nfs/dbraw/zinc/49/76/33/1282497633.db2.gz ZKDSRWYOEIPSDC-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402308 1282499375 /nfs/dbraw/zinc/49/93/75/1282499375.db2.gz FBRMCLPUJDMXHX-STQMWFEESA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402764 1282499757 /nfs/dbraw/zinc/49/97/57/1282499757.db2.gz MSAHBERAXPOWEG-OLZOCXBDSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001588402768 1282500892 /nfs/dbraw/zinc/50/08/92/1282500892.db2.gz MSJXEMFOYQWVBN-OLZOCXBDSA-N -1 1 372.433 0.463 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588411667 1282503415 /nfs/dbraw/zinc/50/34/15/1282503415.db2.gz GVJVSJSSKMCHTB-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588411667 1282503425 /nfs/dbraw/zinc/50/34/25/1282503425.db2.gz GVJVSJSSKMCHTB-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O ZINC001588415255 1282504823 /nfs/dbraw/zinc/50/48/23/1282504823.db2.gz GUIUWJVYTOLBTE-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1O ZINC001588415255 1282504828 /nfs/dbraw/zinc/50/48/28/1282504828.db2.gz GUIUWJVYTOLBTE-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001588462176 1282511159 /nfs/dbraw/zinc/51/11/59/1282511159.db2.gz GYWIRCJJQIJONX-BETUJISGSA-N -1 1 354.418 0.884 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588460784 1282511536 /nfs/dbraw/zinc/51/15/36/1282511536.db2.gz DHIJWCPXOVIKQU-ZDUSSCGKSA-N -1 1 372.433 0.601 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588460784 1282511545 /nfs/dbraw/zinc/51/15/45/1282511545.db2.gz DHIJWCPXOVIKQU-ZDUSSCGKSA-N -1 1 372.433 0.601 20 30 FCEDMM C=C[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588468567 1282514467 /nfs/dbraw/zinc/51/44/67/1282514467.db2.gz UJSPWILWCWLBRC-TZMCWYRMSA-N -1 1 364.413 0.965 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588475791 1282517652 /nfs/dbraw/zinc/51/76/52/1282517652.db2.gz SHXRMKKWXJFZGN-QGZVFWFLSA-N -1 1 372.433 0.235 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588475791 1282517665 /nfs/dbraw/zinc/51/76/65/1282517665.db2.gz SHXRMKKWXJFZGN-QGZVFWFLSA-N -1 1 372.433 0.235 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588484583 1282518514 /nfs/dbraw/zinc/51/85/14/1282518514.db2.gz IIPPJJXOLZDPQR-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588484583 1282518527 /nfs/dbraw/zinc/51/85/27/1282518527.db2.gz IIPPJJXOLZDPQR-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588484522 1282518796 /nfs/dbraw/zinc/51/87/96/1282518796.db2.gz GNMCKZNLYMPZDB-LBPRGKRZSA-N -1 1 372.433 0.320 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588487473 1282519086 /nfs/dbraw/zinc/51/90/86/1282519086.db2.gz RVCKDDYFZJBLJT-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588487473 1282519094 /nfs/dbraw/zinc/51/90/94/1282519094.db2.gz RVCKDDYFZJBLJT-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588495286 1282521890 /nfs/dbraw/zinc/52/18/90/1282521890.db2.gz AXVLQLQINIORML-ZBEGNZNMSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588495286 1282521903 /nfs/dbraw/zinc/52/19/03/1282521903.db2.gz AXVLQLQINIORML-ZBEGNZNMSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588493667 1282521924 /nfs/dbraw/zinc/52/19/24/1282521924.db2.gz JVPOTZAEKHCZPR-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588493344 1282522153 /nfs/dbraw/zinc/52/21/53/1282522153.db2.gz CQJJTZNVUUEAOY-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588493344 1282522163 /nfs/dbraw/zinc/52/21/63/1282522163.db2.gz CQJJTZNVUUEAOY-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588495298 1282522610 /nfs/dbraw/zinc/52/26/10/1282522610.db2.gz BJAPZTGXJZEXIW-QFSBIZTOSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588495298 1282522618 /nfs/dbraw/zinc/52/26/18/1282522618.db2.gz BJAPZTGXJZEXIW-QFSBIZTOSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588496564 1282525411 /nfs/dbraw/zinc/52/54/11/1282525411.db2.gz SEQSGOPRLIHHBJ-QGZVFWFLSA-N -1 1 374.449 0.780 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588496564 1282525421 /nfs/dbraw/zinc/52/54/21/1282525421.db2.gz SEQSGOPRLIHHBJ-QGZVFWFLSA-N -1 1 374.449 0.780 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588495721 1282525528 /nfs/dbraw/zinc/52/55/28/1282525528.db2.gz IPKRBSXRWYFNOO-KRWDZBQOSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588495721 1282525539 /nfs/dbraw/zinc/52/55/39/1282525539.db2.gz IPKRBSXRWYFNOO-KRWDZBQOSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588496835 1282526292 /nfs/dbraw/zinc/52/62/92/1282526292.db2.gz UYRGGNPFJIAJSA-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588496835 1282526303 /nfs/dbraw/zinc/52/63/03/1282526303.db2.gz UYRGGNPFJIAJSA-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498743 1282529024 /nfs/dbraw/zinc/52/90/24/1282529024.db2.gz CQSJHCKAFRHBQE-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588498743 1282529034 /nfs/dbraw/zinc/52/90/34/1282529034.db2.gz CQSJHCKAFRHBQE-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588500232 1282531495 /nfs/dbraw/zinc/53/14/95/1282531495.db2.gz SZXPSYSIVPSZTG-ZBEGNZNMSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588500232 1282531504 /nfs/dbraw/zinc/53/15/04/1282531504.db2.gz SZXPSYSIVPSZTG-ZBEGNZNMSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588500260 1282531544 /nfs/dbraw/zinc/53/15/44/1282531544.db2.gz UHZSFGFNXUCQKS-QGZVFWFLSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588500260 1282531553 /nfs/dbraw/zinc/53/15/53/1282531553.db2.gz UHZSFGFNXUCQKS-QGZVFWFLSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588500869 1282533917 /nfs/dbraw/zinc/53/39/17/1282533917.db2.gz FUBKKRHZFBUYLE-BZNIZROVSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588500869 1282533920 /nfs/dbraw/zinc/53/39/20/1282533920.db2.gz FUBKKRHZFBUYLE-BZNIZROVSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501149 1282533956 /nfs/dbraw/zinc/53/39/56/1282533956.db2.gz KHVMQXADKRYBEY-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588501124 1282534489 /nfs/dbraw/zinc/53/44/89/1282534489.db2.gz JUGUPUUYBFKGQE-DLBZAZTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588501124 1282534495 /nfs/dbraw/zinc/53/44/95/1282534495.db2.gz JUGUPUUYBFKGQE-DLBZAZTESA-N -1 1 372.433 0.681 20 30 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ZINC001588501740 1282537336 /nfs/dbraw/zinc/53/73/36/1282537336.db2.gz OGCINFGVOWPUGV-HWPZZCPQSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588501740 1282537345 /nfs/dbraw/zinc/53/73/45/1282537345.db2.gz OGCINFGVOWPUGV-HWPZZCPQSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588501679 1282538590 /nfs/dbraw/zinc/53/85/90/1282538590.db2.gz NYEUEADGZUUBRV-XWCIJXRUSA-N -1 1 370.417 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588502912 1282540155 /nfs/dbraw/zinc/54/01/55/1282540155.db2.gz UYOGPFVODLLOJG-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588502912 1282540169 /nfs/dbraw/zinc/54/01/69/1282540169.db2.gz UYOGPFVODLLOJG-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588503036 1282541044 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C=CCOCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001588667232 1282624557 /nfs/dbraw/zinc/62/45/57/1282624557.db2.gz STSVMBNYGCQVQZ-KRWDZBQOSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001588667232 1282624568 /nfs/dbraw/zinc/62/45/68/1282624568.db2.gz STSVMBNYGCQVQZ-KRWDZBQOSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N[C@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588672683 1282627767 /nfs/dbraw/zinc/62/77/67/1282627767.db2.gz YMGHDFWXHPOJOP-WDEREUQCSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588672683 1282627774 /nfs/dbraw/zinc/62/77/74/1282627774.db2.gz YMGHDFWXHPOJOP-WDEREUQCSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588674644 1282630420 /nfs/dbraw/zinc/63/04/20/1282630420.db2.gz QSJVNSPVRKGFOH-VXGBXAGGSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588674644 1282630438 /nfs/dbraw/zinc/63/04/38/1282630438.db2.gz QSJVNSPVRKGFOH-VXGBXAGGSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001588674518 1282630967 /nfs/dbraw/zinc/63/09/67/1282630967.db2.gz PGTBOYYDLAUFDO-QWHCGFSZSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001588674518 1282630972 /nfs/dbraw/zinc/63/09/72/1282630972.db2.gz PGTBOYYDLAUFDO-QWHCGFSZSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588676477 1282633499 /nfs/dbraw/zinc/63/34/99/1282633499.db2.gz WIZOQPHPZGYJME-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588676477 1282633502 /nfs/dbraw/zinc/63/35/02/1282633502.db2.gz WIZOQPHPZGYJME-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCOCCCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588682634 1282646617 /nfs/dbraw/zinc/64/66/17/1282646617.db2.gz ONKQXXMTBZWUQE-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCCCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588682634 1282646625 /nfs/dbraw/zinc/64/66/25/1282646625.db2.gz ONKQXXMTBZWUQE-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCn1c(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)nnc1N1CCOCC1 ZINC001588694781 1282650331 /nfs/dbraw/zinc/65/03/31/1282650331.db2.gz NGBRDSTXBJFYGR-UHFFFAOYSA-N -1 1 355.362 0.248 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CCO[C@@H](CC)C1 ZINC001588703680 1282652422 /nfs/dbraw/zinc/65/24/22/1282652422.db2.gz DLIZIYUVBKWBKA-NSHDSACASA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CCO[C@@H](CC)C1 ZINC001588703680 1282652435 /nfs/dbraw/zinc/65/24/35/1282652435.db2.gz DLIZIYUVBKWBKA-NSHDSACASA-N -1 1 368.405 0.716 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCS(=O)CC1 ZINC001588704600 1282652499 /nfs/dbraw/zinc/65/24/99/1282652499.db2.gz MZVQXBUXDPJMKX-UHFFFAOYSA-N -1 1 360.403 0.473 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCS(=O)CC1 ZINC001588704600 1282652516 /nfs/dbraw/zinc/65/25/16/1282652516.db2.gz MZVQXBUXDPJMKX-UHFFFAOYSA-N -1 1 360.403 0.473 20 30 FCEDMM C=CCn1c(C)nnc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC001588703524 1282653957 /nfs/dbraw/zinc/65/39/57/1282653957.db2.gz QPCYWKUWPHARTA-UHFFFAOYSA-N -1 1 370.402 0.993 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1CCO[C@H](C)C1 ZINC001588700715 1282654351 /nfs/dbraw/zinc/65/43/51/1282654351.db2.gz VYSYGHWCEWKATO-LLVKDONJSA-N -1 1 353.390 0.931 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1CCO[C@H](C)C1 ZINC001588700715 1282654357 /nfs/dbraw/zinc/65/43/57/1282654357.db2.gz VYSYGHWCEWKATO-LLVKDONJSA-N -1 1 353.390 0.931 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)CC(=O)NC(C)C ZINC001588705317 1282654915 /nfs/dbraw/zinc/65/49/15/1282654915.db2.gz WCHMHLPJOLMTCA-UHFFFAOYSA-N -1 1 371.405 0.865 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)CC(=O)NC(C)C ZINC001588705317 1282654930 /nfs/dbraw/zinc/65/49/30/1282654930.db2.gz WCHMHLPJOLMTCA-UHFFFAOYSA-N -1 1 371.405 0.865 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)nn1 ZINC001588711956 1282655338 /nfs/dbraw/zinc/65/53/38/1282655338.db2.gz YYZZJEAERWMTPL-JTQLQIEISA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)nn1 ZINC001588711956 1282655349 /nfs/dbraw/zinc/65/53/49/1282655349.db2.gz YYZZJEAERWMTPL-JTQLQIEISA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001588711647 1282656420 /nfs/dbraw/zinc/65/64/20/1282656420.db2.gz VORNQIKXYZYQDT-JTQLQIEISA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001588711647 1282656427 /nfs/dbraw/zinc/65/64/27/1282656427.db2.gz VORNQIKXYZYQDT-JTQLQIEISA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@H](CC)C1 ZINC001588709854 1282656939 /nfs/dbraw/zinc/65/69/39/1282656939.db2.gz WYFNCFHTWFUTSS-NSHDSACASA-N -1 1 355.410 0.520 20 30 FCEDMM C=CCn1cnnc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC001588716742 1282662167 /nfs/dbraw/zinc/66/21/67/1282662167.db2.gz KCQKGIHPNLSJIW-UHFFFAOYSA-N -1 1 356.375 0.685 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588719048 1282663944 /nfs/dbraw/zinc/66/39/44/1282663944.db2.gz WKKOOGTWDQJLAD-XQQFMLRXSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588718323 1282664022 /nfs/dbraw/zinc/66/40/22/1282664022.db2.gz IATUURFGVBWSIP-SCRDCRAPSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588718323 1282664034 /nfs/dbraw/zinc/66/40/34/1282664034.db2.gz IATUURFGVBWSIP-SCRDCRAPSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588718705 1282664893 /nfs/dbraw/zinc/66/48/93/1282664893.db2.gz QWBBHAHJDDCYFV-NEPJUHHUSA-N -1 1 358.406 0.142 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588721008 1282665454 /nfs/dbraw/zinc/66/54/54/1282665454.db2.gz AEQDPFQBHDZYDS-PEBVRCNWSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588721008 1282665468 /nfs/dbraw/zinc/66/54/68/1282665468.db2.gz AEQDPFQBHDZYDS-PEBVRCNWSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588721996 1282667004 /nfs/dbraw/zinc/66/70/04/1282667004.db2.gz RHDFMMZUNYPBKO-BZPMIXESSA-N -1 1 370.417 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588721996 1282667015 /nfs/dbraw/zinc/66/70/15/1282667015.db2.gz RHDFMMZUNYPBKO-BZPMIXESSA-N -1 1 370.417 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588722145 1282668020 /nfs/dbraw/zinc/66/80/20/1282668020.db2.gz UYBQUUDEDCZQDY-LOWVWBTDSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588722145 1282668033 /nfs/dbraw/zinc/66/80/33/1282668033.db2.gz UYBQUUDEDCZQDY-LOWVWBTDSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588722096 1282669365 /nfs/dbraw/zinc/66/93/65/1282669365.db2.gz TWAUXXMCPWAIMB-LOWVWBTDSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588722096 1282669380 /nfs/dbraw/zinc/66/93/80/1282669380.db2.gz TWAUXXMCPWAIMB-LOWVWBTDSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nnn[n-]1 ZINC001588723463 1282671150 /nfs/dbraw/zinc/67/11/50/1282671150.db2.gz NMLMOGGPSJEGIT-UPJWGTAASA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1nccnc1-c1nn[n-]n1 ZINC001588723463 1282671167 /nfs/dbraw/zinc/67/11/67/1282671167.db2.gz NMLMOGGPSJEGIT-UPJWGTAASA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588722913 1282671729 /nfs/dbraw/zinc/67/17/29/1282671729.db2.gz DSIVFOBKJVXVQL-UPJWGTAASA-N -1 1 372.433 0.222 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588723262 1282672085 /nfs/dbraw/zinc/67/20/85/1282672085.db2.gz JNTAHVJSXHBIOF-YPMHNXCESA-N -1 1 372.433 0.728 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588723262 1282672100 /nfs/dbraw/zinc/67/21/00/1282672100.db2.gz JNTAHVJSXHBIOF-YPMHNXCESA-N -1 1 372.433 0.728 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588723856 1282673294 /nfs/dbraw/zinc/67/32/94/1282673294.db2.gz RQWDNYKCZGZTNT-DYEKYZERSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588723856 1282673311 /nfs/dbraw/zinc/67/33/11/1282673311.db2.gz RQWDNYKCZGZTNT-DYEKYZERSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588723521 1282673338 /nfs/dbraw/zinc/67/33/38/1282673338.db2.gz OPABIOUSETZBIM-LOWVWBTDSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588723521 1282673353 /nfs/dbraw/zinc/67/33/53/1282673353.db2.gz OPABIOUSETZBIM-LOWVWBTDSA-N -1 1 358.406 0.412 20 30 FCEDMM CC#CCCCC(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588740585 1282683004 /nfs/dbraw/zinc/68/30/04/1282683004.db2.gz SDHDRRKOALHJMK-GFCCVEGCSA-N -1 1 372.433 0.302 20 30 FCEDMM CC#CCCCC(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588740585 1282683016 /nfs/dbraw/zinc/68/30/16/1282683016.db2.gz SDHDRRKOALHJMK-GFCCVEGCSA-N -1 1 372.433 0.302 20 30 FCEDMM CC#CCCCC(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588740121 1282683576 /nfs/dbraw/zinc/68/35/76/1282683576.db2.gz GUTPLUIOTMUUNT-GOSISDBHSA-N -1 1 368.445 0.969 20 30 FCEDMM C=c1[nH]c(=O)[nH]c(=O)c1=C(C)Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC001588782065 1282700163 /nfs/dbraw/zinc/70/01/63/1282700163.db2.gz OZVZWTKRDMSEJW-UHFFFAOYSA-N -1 1 356.346 0.427 20 30 FCEDMM CC(=O)NC(=Cc1cccs1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588828840 1282713687 /nfs/dbraw/zinc/71/36/87/1282713687.db2.gz UMDLTEJLCGRJRR-UITAMQMPSA-N -1 1 369.370 0.639 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588929190 1282729605 /nfs/dbraw/zinc/72/96/05/1282729605.db2.gz PFEBUFRISGVQMG-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588929190 1282729615 /nfs/dbraw/zinc/72/96/15/1282729615.db2.gz PFEBUFRISGVQMG-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001588926681 1282730710 /nfs/dbraw/zinc/73/07/10/1282730710.db2.gz ODYHEFACNJAWLQ-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001588926681 1282730722 /nfs/dbraw/zinc/73/07/22/1282730722.db2.gz ODYHEFACNJAWLQ-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C(=O)OCCOc1ccccc1C#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589029759 1282776364 /nfs/dbraw/zinc/77/63/64/1282776364.db2.gz GOVNEFGXGVTSEB-SNVBAGLBSA-N -1 1 354.330 0.513 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589068225 1282791731 /nfs/dbraw/zinc/79/17/31/1282791731.db2.gz MQSMRUONNDQQKP-KRWDZBQOSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589068225 1282791736 /nfs/dbraw/zinc/79/17/36/1282791736.db2.gz MQSMRUONNDQQKP-KRWDZBQOSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001589379895 1282854305 /nfs/dbraw/zinc/85/43/05/1282854305.db2.gz FJWMDOXMQABUCS-BETUJISGSA-N -1 1 352.402 0.496 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589379870 1282855645 /nfs/dbraw/zinc/85/56/45/1282855645.db2.gz DJUHPSIOMAPCNM-ZDUSSCGKSA-N -1 1 354.418 0.389 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001589380249 1282856055 /nfs/dbraw/zinc/85/60/55/1282856055.db2.gz QTTBBWHCYNUYGQ-CHWSQXEVSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001589380249 1282856058 /nfs/dbraw/zinc/85/60/58/1282856058.db2.gz QTTBBWHCYNUYGQ-CHWSQXEVSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589384201 1282856676 /nfs/dbraw/zinc/85/66/76/1282856676.db2.gz CGFZFUZJRMLUEX-DZGCQCFKSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589384201 1282856681 /nfs/dbraw/zinc/85/66/81/1282856681.db2.gz CGFZFUZJRMLUEX-DZGCQCFKSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589380292 1282856883 /nfs/dbraw/zinc/85/68/83/1282856883.db2.gz RWTYBRHJWAAOEY-QWHCGFSZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589380292 1282856891 /nfs/dbraw/zinc/85/68/91/1282856891.db2.gz RWTYBRHJWAAOEY-QWHCGFSZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589386864 1282864519 /nfs/dbraw/zinc/86/45/19/1282864519.db2.gz CTQAAVLJIAATGQ-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589386864 1282864532 /nfs/dbraw/zinc/86/45/32/1282864532.db2.gz CTQAAVLJIAATGQ-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001589387320 1282864958 /nfs/dbraw/zinc/86/49/58/1282864958.db2.gz KRXQUXZKGCZZJB-KSSFIOAISA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001589387320 1282864962 /nfs/dbraw/zinc/86/49/62/1282864962.db2.gz KRXQUXZKGCZZJB-KSSFIOAISA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589387462 1282865047 /nfs/dbraw/zinc/86/50/47/1282865047.db2.gz LQULFOHUNSLZJY-UHFFFAOYSA-N -1 1 354.418 0.577 20 30 FCEDMM CCOC(=O)[C@]1(CCn2c(C)nc(-c3nn[n-]n3)c2C#N)CCCC1=O ZINC001604367819 1287618047 /nfs/dbraw/zinc/61/80/47/1287618047.db2.gz UTDDNECQQHRADI-INIZCTEOSA-N -1 1 357.374 0.936 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589911756 1283118311 /nfs/dbraw/zinc/11/83/11/1283118311.db2.gz DSRISZXWQKQCOL-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135596 1283237684 /nfs/dbraw/zinc/23/76/84/1283237684.db2.gz VPLWHXBLAUOJOC-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135596 1283237687 /nfs/dbraw/zinc/23/76/87/1283237687.db2.gz VPLWHXBLAUOJOC-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590144797 1283242415 /nfs/dbraw/zinc/24/24/15/1283242415.db2.gz XRSZERNTJPZHDW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(C#N)nn1 ZINC001590167078 1283262583 /nfs/dbraw/zinc/26/25/83/1283262583.db2.gz KGQXDPLQPVXBGH-GHMZBOCLSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(C#N)nn1 ZINC001590167078 1283262590 /nfs/dbraw/zinc/26/25/90/1283262590.db2.gz KGQXDPLQPVXBGH-GHMZBOCLSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210708 1283339283 /nfs/dbraw/zinc/33/92/83/1283339283.db2.gz OMFOJFHIGFQUJX-DGCLKSJQSA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210708 1283339296 /nfs/dbraw/zinc/33/92/96/1283339296.db2.gz OMFOJFHIGFQUJX-DGCLKSJQSA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590233032 1283363193 /nfs/dbraw/zinc/36/31/93/1283363193.db2.gz FZCWNIVKNOVLHY-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)CSCC#N)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590233032 1283363207 /nfs/dbraw/zinc/36/32/07/1283363207.db2.gz FZCWNIVKNOVLHY-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590233024 1283365572 /nfs/dbraw/zinc/36/55/72/1283365572.db2.gz FZCWNIVKNOVLHY-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590233024 1283365583 /nfs/dbraw/zinc/36/55/83/1283365583.db2.gz FZCWNIVKNOVLHY-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001590238815 1283374481 /nfs/dbraw/zinc/37/44/81/1283374481.db2.gz IVERANLODJNBOU-HWPZZCPQSA-N -1 1 372.389 0.108 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590292107 1283423569 /nfs/dbraw/zinc/42/35/69/1283423569.db2.gz IVYVPNHVNRMLML-VHSXEESVSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590292107 1283423573 /nfs/dbraw/zinc/42/35/73/1283423573.db2.gz IVYVPNHVNRMLML-VHSXEESVSA-N -1 1 359.419 0.172 20 30 FCEDMM CC[C@H](CC#N)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590419166 1283533016 /nfs/dbraw/zinc/53/30/16/1283533016.db2.gz FFTHVPLRFCBAKQ-MRVPVSSYSA-N -1 1 351.348 0.745 20 30 FCEDMM CC[C@H](CC#N)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590419166 1283533022 /nfs/dbraw/zinc/53/30/22/1283533022.db2.gz FFTHVPLRFCBAKQ-MRVPVSSYSA-N -1 1 351.348 0.745 20 30 FCEDMM CCc1ccc(CN(C)C(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001604523219 1287650591 /nfs/dbraw/zinc/65/05/91/1287650591.db2.gz JAPWNDFKSUVTSW-UHFFFAOYSA-N -1 1 365.401 0.738 20 30 FCEDMM CCN([C@@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590676122 1283720908 /nfs/dbraw/zinc/72/09/08/1283720908.db2.gz CIOLJUODURWGQM-QMMMGPOBSA-N -1 1 351.348 0.698 20 30 FCEDMM CCN([C@@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590676122 1283720919 /nfs/dbraw/zinc/72/09/19/1283720919.db2.gz CIOLJUODURWGQM-QMMMGPOBSA-N -1 1 351.348 0.698 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001590906455 1283956976 /nfs/dbraw/zinc/95/69/76/1283956976.db2.gz LLOJQYNMAZVRBM-ZDUSSCGKSA-N -1 1 366.429 0.718 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001590906455 1283956979 /nfs/dbraw/zinc/95/69/79/1283956979.db2.gz LLOJQYNMAZVRBM-ZDUSSCGKSA-N -1 1 366.429 0.718 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2C#N)c1=O ZINC001590949946 1283997670 /nfs/dbraw/zinc/99/76/70/1283997670.db2.gz RTDJGRFDLGNPOU-UHFFFAOYSA-N -1 1 357.761 0.783 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(C#N)cc2)c1=O ZINC001590950069 1283998242 /nfs/dbraw/zinc/99/82/42/1283998242.db2.gz OWLJRTJLMKGDKG-UHFFFAOYSA-N -1 1 353.342 0.161 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590984277 1284039306 /nfs/dbraw/zinc/03/93/06/1284039306.db2.gz JBMVGGMRNFZITD-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN(C(=O)CSCC#N)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590984277 1284039314 /nfs/dbraw/zinc/03/93/14/1284039314.db2.gz JBMVGGMRNFZITD-UHFFFAOYSA-N -1 1 359.419 0.315 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056138 1284116677 /nfs/dbraw/zinc/11/66/77/1284116677.db2.gz NQGBZYPQLITIBS-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056138 1284116681 /nfs/dbraw/zinc/11/66/81/1284116681.db2.gz NQGBZYPQLITIBS-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(Cc1ccc(F)cc1)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001591139876 1284209688 /nfs/dbraw/zinc/20/96/88/1284209688.db2.gz GNCIPELJRGRBPR-UHFFFAOYSA-N -1 1 355.337 0.315 20 30 FCEDMM CN1C(=O)COc2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)cc21 ZINC001591166167 1284246728 /nfs/dbraw/zinc/24/67/28/1284246728.db2.gz UKGZKQSIIDIDFX-UHFFFAOYSA-N -1 1 365.313 0.069 20 30 FCEDMM CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC001591199288 1284322865 /nfs/dbraw/zinc/32/28/65/1284322865.db2.gz ZQIUDOQKKKFTSH-UHFFFAOYSA-N -1 1 372.443 0.999 20 30 FCEDMM COCCN(C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC001591418847 1284568039 /nfs/dbraw/zinc/56/80/39/1284568039.db2.gz IXLXZNQMQAURMN-LLVKDONJSA-N -1 1 367.373 0.570 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)c(F)c2)c(=O)n1C1CC1 ZINC001591795523 1284909441 /nfs/dbraw/zinc/90/94/41/1284909441.db2.gz WCDYMJXNEOAMNO-UHFFFAOYSA-N -1 1 367.344 0.893 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(CCCNC(=O)[C@@H](C)C#N)C(C)C)n1 ZINC001591884737 1284973756 /nfs/dbraw/zinc/97/37/56/1284973756.db2.gz WFOUCMHXNPPAFV-NSHDSACASA-N -1 1 357.422 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(CCCNC(=O)[C@@H](C)C#N)C(C)C)n1 ZINC001591884737 1284973766 /nfs/dbraw/zinc/97/37/66/1284973766.db2.gz WFOUCMHXNPPAFV-NSHDSACASA-N -1 1 357.422 0.846 20 30 FCEDMM CN(CCOCCNc1cncc(-c2nnn[n-]2)n1)C(=O)C#CC(C)(C)C ZINC001604782239 1287779216 /nfs/dbraw/zinc/77/92/16/1287779216.db2.gz CDJBLYZQAOWRCH-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM CN(CCOCCNc1cncc(-c2nn[n-]n2)n1)C(=O)C#CC(C)(C)C ZINC001604782239 1287779218 /nfs/dbraw/zinc/77/92/18/1287779218.db2.gz CDJBLYZQAOWRCH-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)c1-c1nn[n-]n1 ZINC001592477221 1285417589 /nfs/dbraw/zinc/41/75/89/1285417589.db2.gz UEAVINIVKWNDNP-YABSGUDNSA-N -1 1 355.427 0.596 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604794107 1287784003 /nfs/dbraw/zinc/78/40/03/1287784003.db2.gz VVMAISAAQCKVCR-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604794107 1287784005 /nfs/dbraw/zinc/78/40/05/1287784005.db2.gz VVMAISAAQCKVCR-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM Cn1c(Cc2ccc(-c3nnn[n-]3)nc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001592553770 1285462732 /nfs/dbraw/zinc/46/27/32/1285462732.db2.gz ACAXIPVTMOXNHP-LBPRGKRZSA-N -1 1 350.390 0.721 20 30 FCEDMM Cn1c(Cc2ccc(-c3nn[n-]n3)nc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001592553770 1285462736 /nfs/dbraw/zinc/46/27/36/1285462736.db2.gz ACAXIPVTMOXNHP-LBPRGKRZSA-N -1 1 350.390 0.721 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CCOCC1 ZINC001592669568 1285565711 /nfs/dbraw/zinc/56/57/11/1285565711.db2.gz KKFZLOYHFIUBCU-UHFFFAOYSA-N -1 1 366.378 0.604 20 30 FCEDMM N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592671203 1285567871 /nfs/dbraw/zinc/56/78/71/1285567871.db2.gz APUSEJCIPHRDOK-QMMMGPOBSA-N -1 1 354.392 0.635 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679035 1285574578 /nfs/dbraw/zinc/57/45/78/1285574578.db2.gz DADGRXCLRRSRRL-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679035 1285574589 /nfs/dbraw/zinc/57/45/89/1285574589.db2.gz DADGRXCLRRSRRL-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679931 1285578343 /nfs/dbraw/zinc/57/83/43/1285578343.db2.gz BCPRSXDFALMNGX-JTQLQIEISA-N -1 1 359.419 0.174 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679931 1285578346 /nfs/dbraw/zinc/57/83/46/1285578346.db2.gz BCPRSXDFALMNGX-JTQLQIEISA-N -1 1 359.419 0.174 20 30 FCEDMM N#CCSCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001592680021 1285579064 /nfs/dbraw/zinc/57/90/64/1285579064.db2.gz CDSJOQHYMKHPMM-UHFFFAOYSA-N -1 1 363.472 0.829 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679660 1285579496 /nfs/dbraw/zinc/57/94/96/1285579496.db2.gz YJGLTJMCMUVHQA-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679660 1285579506 /nfs/dbraw/zinc/57/95/06/1285579506.db2.gz YJGLTJMCMUVHQA-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1cc(Cl)ccc1F ZINC001592682317 1285580898 /nfs/dbraw/zinc/58/08/98/1285580898.db2.gz WJJIRAWIZAXGJM-UHFFFAOYSA-N -1 1 361.728 0.948 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCS(=O)(=O)c1ccc(F)cc1 ZINC001592683907 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946855996 /nfs/dbraw/zinc/85/59/96/946855996.db2.gz RWAXTSDXLUEXSJ-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573288043 946856006 /nfs/dbraw/zinc/85/60/06/946856006.db2.gz RWAXTSDXLUEXSJ-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1CC ZINC001573288341 946863499 /nfs/dbraw/zinc/86/34/99/946863499.db2.gz UNSVCSDPSKVSDK-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1CC ZINC001573288341 946863514 /nfs/dbraw/zinc/86/35/14/946863514.db2.gz UNSVCSDPSKVSDK-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NCCN(CCOC)c1ccc(-c2nnn[n-]2)nn1 ZINC001573292783 946940084 /nfs/dbraw/zinc/94/00/84/946940084.db2.gz BVKOEXOVVQKWJB-UHFFFAOYSA-N -1 1 374.449 0.828 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NCCN(CCOC)c1ccc(-c2nn[n-]n2)nn1 ZINC001573292783 946940092 /nfs/dbraw/zinc/94/00/92/946940092.db2.gz BVKOEXOVVQKWJB-UHFFFAOYSA-N -1 1 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C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573566549 947027372 /nfs/dbraw/zinc/02/73/72/947027372.db2.gz DHKWFSYHQKDOKQ-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573566549 947027381 /nfs/dbraw/zinc/02/73/81/947027381.db2.gz DHKWFSYHQKDOKQ-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573566958 947035227 /nfs/dbraw/zinc/03/52/27/947035227.db2.gz IKZSKHQDOUVKFT-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573567191 947038060 /nfs/dbraw/zinc/03/80/60/947038060.db2.gz JSVIDEBXGFZZOE-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573567191 947038071 /nfs/dbraw/zinc/03/80/71/947038071.db2.gz JSVIDEBXGFZZOE-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573567256 947040005 /nfs/dbraw/zinc/04/00/05/947040005.db2.gz KSZKOHLYUGSNCX-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573567256 947040013 /nfs/dbraw/zinc/04/00/13/947040013.db2.gz KSZKOHLYUGSNCX-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573567688 947051625 /nfs/dbraw/zinc/05/16/25/947051625.db2.gz QYMZPKROKIGFEO-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573567688 947051637 /nfs/dbraw/zinc/05/16/37/947051637.db2.gz QYMZPKROKIGFEO-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001573298110 947069168 /nfs/dbraw/zinc/06/91/68/947069168.db2.gz AUZLKLJATKGDRS-NEPJUHHUSA-N -1 1 360.422 0.367 20 30 FCEDMM C=C(C)CCC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573299275 947090681 /nfs/dbraw/zinc/09/06/81/947090681.db2.gz JRROFJDGNXPMKM-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573299275 947090692 /nfs/dbraw/zinc/09/06/92/947090692.db2.gz JRROFJDGNXPMKM-UHFFFAOYSA-N -1 1 372.433 0.778 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573571798 947104775 /nfs/dbraw/zinc/10/47/75/947104775.db2.gz BAJBJTQHRQJVHZ-WDEREUQCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573571798 947104782 /nfs/dbraw/zinc/10/47/82/947104782.db2.gz BAJBJTQHRQJVHZ-WDEREUQCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573573927 947126648 /nfs/dbraw/zinc/12/66/48/947126648.db2.gz PRGRVSDBXTUCGY-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573573927 947126658 /nfs/dbraw/zinc/12/66/58/947126658.db2.gz PRGRVSDBXTUCGY-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573574328 947128517 /nfs/dbraw/zinc/12/85/17/947128517.db2.gz RDJOOEXVEVSSOR-GLKRBJQHSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573574328 947128523 /nfs/dbraw/zinc/12/85/23/947128523.db2.gz RDJOOEXVEVSSOR-GLKRBJQHSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573575111 947135626 /nfs/dbraw/zinc/13/56/26/947135626.db2.gz VZKZJDOVXQQVBA-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573575111 947135632 /nfs/dbraw/zinc/13/56/32/947135632.db2.gz VZKZJDOVXQQVBA-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573576029 947147882 /nfs/dbraw/zinc/14/78/82/947147882.db2.gz CTPKMZZETNVRMQ-JQWIXIFHSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573576029 947147891 /nfs/dbraw/zinc/14/78/91/947147891.db2.gz CTPKMZZETNVRMQ-JQWIXIFHSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573577067 947160349 /nfs/dbraw/zinc/16/03/49/947160349.db2.gz LRIBASOBFSXVSV-ZBEGNZNMSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573577067 947160354 /nfs/dbraw/zinc/16/03/54/947160354.db2.gz LRIBASOBFSXVSV-ZBEGNZNMSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573577425 947165882 /nfs/dbraw/zinc/16/58/82/947165882.db2.gz PDRFISGUEUAAEM-WDSKDSINSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573577425 947165887 /nfs/dbraw/zinc/16/58/87/947165887.db2.gz PDRFISGUEUAAEM-WDSKDSINSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573577900 947176426 /nfs/dbraw/zinc/17/64/26/947176426.db2.gz UXCPTOAUTVSCIW-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573577900 947176429 /nfs/dbraw/zinc/17/64/29/947176429.db2.gz UXCPTOAUTVSCIW-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573577960 947177743 /nfs/dbraw/zinc/17/77/43/947177743.db2.gz WIBBCZMHJGAQLF-RYUDHWBXSA-N -1 1 355.406 0.682 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573309342 947195642 /nfs/dbraw/zinc/19/56/42/947195642.db2.gz HERJUSYGKCRTKQ-QGZVFWFLSA-N -1 1 374.449 0.880 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573309342 947195649 /nfs/dbraw/zinc/19/56/49/947195649.db2.gz HERJUSYGKCRTKQ-QGZVFWFLSA-N -1 1 374.449 0.880 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573309408 947197516 /nfs/dbraw/zinc/19/75/16/947197516.db2.gz INNLVSCWFUYCRY-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573309408 947197524 /nfs/dbraw/zinc/19/75/24/947197524.db2.gz INNLVSCWFUYCRY-SJCJKPOMSA-N -1 1 374.449 0.826 20 30 FCEDMM CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1C ZINC000825553038 947216754 /nfs/dbraw/zinc/21/67/54/947216754.db2.gz JGPUJKYQBBGCLE-UHFFFAOYSA-N -1 1 368.357 0.939 20 30 FCEDMM C[C@@H](C#N)C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573584748 947231848 /nfs/dbraw/zinc/23/18/48/947231848.db2.gz CYTSWRLCKUUIJN-NSHDSACASA-N -1 1 363.385 0.467 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573584730 947233491 /nfs/dbraw/zinc/23/34/91/947233491.db2.gz CNLNACORDXAIFM-XTQGRXLLSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573584730 947233504 /nfs/dbraw/zinc/23/35/04/947233504.db2.gz CNLNACORDXAIFM-XTQGRXLLSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573584729 947233723 /nfs/dbraw/zinc/23/37/23/947233723.db2.gz CNLNACORDXAIFM-CJBNDPTMSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573584729 947233735 /nfs/dbraw/zinc/23/37/35/947233735.db2.gz CNLNACORDXAIFM-CJBNDPTMSA-N -1 1 367.417 0.682 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573314906 947240352 /nfs/dbraw/zinc/24/03/52/947240352.db2.gz HTUGXSKPUIQQNM-VXGBXAGGSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573314906 947240364 /nfs/dbraw/zinc/24/03/64/947240364.db2.gz HTUGXSKPUIQQNM-VXGBXAGGSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573314905 947240897 /nfs/dbraw/zinc/24/08/97/947240897.db2.gz HTUGXSKPUIQQNM-RYUDHWBXSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573314905 947240906 /nfs/dbraw/zinc/24/09/06/947240906.db2.gz HTUGXSKPUIQQNM-RYUDHWBXSA-N -1 1 360.422 0.456 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573585124 947246956 /nfs/dbraw/zinc/24/69/56/947246956.db2.gz KWTLGQYSSZOKPX-QWRGUYRKSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573585124 947246965 /nfs/dbraw/zinc/24/69/65/947246965.db2.gz KWTLGQYSSZOKPX-QWRGUYRKSA-N -1 1 355.406 0.537 20 30 FCEDMM C=CCC1(C(=O)NC/C=C/CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001573325876 947361808 /nfs/dbraw/zinc/36/18/08/947361808.db2.gz HOJKTSJDJSCQEW-ONEGZZNKSA-N -1 1 354.418 0.909 20 30 FCEDMM C=CCCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335056 947469982 /nfs/dbraw/zinc/46/99/82/947469982.db2.gz VSGHXOLNKLZLJX-KRWDZBQOSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335056 947469986 /nfs/dbraw/zinc/46/99/86/947469986.db2.gz VSGHXOLNKLZLJX-KRWDZBQOSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001573335252 947474602 /nfs/dbraw/zinc/47/46/02/947474602.db2.gz WOFILWSGTGRRKG-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001573335252 947474607 /nfs/dbraw/zinc/47/46/07/947474607.db2.gz WOFILWSGTGRRKG-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573335751 947487702 /nfs/dbraw/zinc/48/77/02/947487702.db2.gz CXSPXVLJKNBHNF-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573335751 947487710 /nfs/dbraw/zinc/48/77/10/947487710.db2.gz CXSPXVLJKNBHNF-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573336132 947501606 /nfs/dbraw/zinc/50/16/06/947501606.db2.gz JCKADPRRXAORBH-GFCCVEGCSA-N -1 1 360.422 0.499 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573336132 947501612 /nfs/dbraw/zinc/50/16/12/947501612.db2.gz JCKADPRRXAORBH-GFCCVEGCSA-N -1 1 360.422 0.499 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573342809 947547028 /nfs/dbraw/zinc/54/70/28/947547028.db2.gz DYLJLLNBJAIZRM-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573342809 947547037 /nfs/dbraw/zinc/54/70/37/947547037.db2.gz DYLJLLNBJAIZRM-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573342820 947547833 /nfs/dbraw/zinc/54/78/33/947547833.db2.gz FETJEVDKJYWROO-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573342820 947547845 /nfs/dbraw/zinc/54/78/45/947547845.db2.gz FETJEVDKJYWROO-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1CC ZINC001573342905 947549868 /nfs/dbraw/zinc/54/98/68/947549868.db2.gz GUNVDLWNZCWEKP-WCQYABFASA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1CC ZINC001573342905 947549872 /nfs/dbraw/zinc/54/98/72/947549872.db2.gz GUNVDLWNZCWEKP-WCQYABFASA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573343634 947562189 /nfs/dbraw/zinc/56/21/89/947562189.db2.gz RITNRXUZBLFYAJ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573343634 947562198 /nfs/dbraw/zinc/56/21/98/947562198.db2.gz RITNRXUZBLFYAJ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC001573350361 947594978 /nfs/dbraw/zinc/59/49/78/947594978.db2.gz APUXSHUAJQKRSM-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC001573350361 947594983 /nfs/dbraw/zinc/59/49/83/947594983.db2.gz APUXSHUAJQKRSM-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001573352110 947626161 /nfs/dbraw/zinc/62/61/61/947626161.db2.gz VHBSGVZHJFUHDZ-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001573352110 947626167 /nfs/dbraw/zinc/62/61/67/947626167.db2.gz VHBSGVZHJFUHDZ-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM CC#CCCCC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573357875 947651899 /nfs/dbraw/zinc/65/18/99/947651899.db2.gz ADCTVDMGQNKJJA-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573357875 947651909 /nfs/dbraw/zinc/65/19/09/947651909.db2.gz ADCTVDMGQNKJJA-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001573428827 948168632 /nfs/dbraw/zinc/16/86/32/948168632.db2.gz CSUZPBQYNGEKCZ-QJPTWQEYSA-N -1 1 353.390 0.587 20 30 FCEDMM C[C@H](C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)n1cnc(C#N)n1 ZINC001573730032 948575597 /nfs/dbraw/zinc/57/55/97/948575597.db2.gz KNZFJWIIOXHNRU-SSDOTTSWSA-N -1 1 359.300 0.485 20 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948983030 /nfs/dbraw/zinc/98/30/30/948983030.db2.gz LVCNUDCIDKPGKE-VIFPVBQESA-N -1 1 351.378 0.824 20 30 FCEDMM CC(C)c1nnc2n1CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)[C@H]2C ZINC001574434657 948983043 /nfs/dbraw/zinc/98/30/43/948983043.db2.gz LVCNUDCIDKPGKE-VIFPVBQESA-N -1 1 351.378 0.824 20 30 FCEDMM CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435250 948990543 /nfs/dbraw/zinc/99/05/43/948990543.db2.gz QUYHDYYUOVQAGZ-LBPRGKRZSA-N -1 1 369.389 0.952 20 30 FCEDMM CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435250 948990556 /nfs/dbraw/zinc/99/05/56/948990556.db2.gz QUYHDYYUOVQAGZ-LBPRGKRZSA-N -1 1 369.389 0.952 20 30 FCEDMM C[C@H](N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1)C(F)(F)F ZINC001575248853 949078148 /nfs/dbraw/zinc/07/81/48/949078148.db2.gz WOAPTVPAOKBCHE-QMMMGPOBSA-N -1 1 353.312 0.601 20 30 FCEDMM C[C@H](N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1)C(F)(F)F ZINC001575248853 949078167 /nfs/dbraw/zinc/07/81/67/949078167.db2.gz WOAPTVPAOKBCHE-QMMMGPOBSA-N -1 1 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C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575827106 1272491997 /nfs/dbraw/zinc/49/19/97/1272491997.db2.gz NYDQFBZGHWPXCQ-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575827842 1272493121 /nfs/dbraw/zinc/49/31/21/1272493121.db2.gz UIGCBQNXDZPSKW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575827842 1272493127 /nfs/dbraw/zinc/49/31/27/1272493127.db2.gz UIGCBQNXDZPSKW-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575837075 1272504868 /nfs/dbraw/zinc/50/48/68/1272504868.db2.gz SSKOYAYIALKCRQ-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575837075 1272504870 /nfs/dbraw/zinc/50/48/70/1272504870.db2.gz SSKOYAYIALKCRQ-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)[C@@H](C)C#N)CCCC2)n1 ZINC001580701438 1278754782 /nfs/dbraw/zinc/75/47/82/1278754782.db2.gz MJSSQNHNRDBRBC-JTQLQIEISA-N -1 1 355.406 0.966 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001580702296 1278752614 /nfs/dbraw/zinc/75/26/14/1278752614.db2.gz CLQNQTJRLJXGRV-UHFFFAOYSA-N -1 1 364.373 0.539 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001580702296 1278752620 /nfs/dbraw/zinc/75/26/20/1278752620.db2.gz CLQNQTJRLJXGRV-UHFFFAOYSA-N -1 1 364.373 0.539 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)[C@@H](C)C#N)CCCC2)n1 ZINC001580701438 1278754789 /nfs/dbraw/zinc/75/47/89/1278754789.db2.gz MJSSQNHNRDBRBC-JTQLQIEISA-N -1 1 355.406 0.966 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576886484 1273876297 /nfs/dbraw/zinc/87/62/97/1273876297.db2.gz SYDSYGAENXGJAK-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576886484 1273876304 /nfs/dbraw/zinc/87/63/04/1273876304.db2.gz SYDSYGAENXGJAK-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580738704 1278837060 /nfs/dbraw/zinc/83/70/60/1278837060.db2.gz AGOVFFDTEMKLOE-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580738704 1278837075 /nfs/dbraw/zinc/83/70/75/1278837075.db2.gz AGOVFFDTEMKLOE-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCCN(C)C(=O)CSCC#N)n1 ZINC001580740772 1278843445 /nfs/dbraw/zinc/84/34/45/1278843445.db2.gz BANFJPQFLKGGKP-UHFFFAOYSA-N -1 1 361.435 0.482 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCCN(C)C(=O)CSCC#N)n1 ZINC001580740772 1278843450 /nfs/dbraw/zinc/84/34/50/1278843450.db2.gz BANFJPQFLKGGKP-UHFFFAOYSA-N -1 1 361.435 0.482 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001577642530 1274634766 /nfs/dbraw/zinc/63/47/66/1274634766.db2.gz QJNWCVSTHUCHLO-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001577642530 1274634781 /nfs/dbraw/zinc/63/47/81/1274634781.db2.gz QJNWCVSTHUCHLO-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001580760436 1278884509 /nfs/dbraw/zinc/88/45/09/1278884509.db2.gz LFFFBVDMOUATGJ-XYPYZODXSA-N -1 1 373.446 0.529 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001580760436 1278884518 /nfs/dbraw/zinc/88/45/18/1278884518.db2.gz LFFFBVDMOUATGJ-XYPYZODXSA-N -1 1 373.446 0.529 20 30 FCEDMM CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577873981 1275066039 /nfs/dbraw/zinc/06/60/39/1275066039.db2.gz DSECOGPZIREKLI-VIFPVBQESA-N -1 1 355.449 0.744 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001578067212 1275366615 /nfs/dbraw/zinc/36/66/15/1275366615.db2.gz PTPJZPDRFKBCTG-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001578067212 1275366623 /nfs/dbraw/zinc/36/66/23/1275366623.db2.gz PTPJZPDRFKBCTG-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001578167834 1275466472 /nfs/dbraw/zinc/46/64/72/1275466472.db2.gz QNTSUYKNWMISMX-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccc(C#N)[nH]1 ZINC001578167834 1275466478 /nfs/dbraw/zinc/46/64/78/1275466478.db2.gz QNTSUYKNWMISMX-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578198726 1275489288 /nfs/dbraw/zinc/48/92/88/1275489288.db2.gz JTSLKKYQHLUKCP-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578198726 1275489295 /nfs/dbraw/zinc/48/92/95/1275489295.db2.gz JTSLKKYQHLUKCP-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)C1([C@@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCOCC1 ZINC001578242653 1275544564 /nfs/dbraw/zinc/54/45/64/1275544564.db2.gz MECWCOUSFKLDJI-SNVBAGLBSA-N -1 1 372.389 0.689 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001578576278 1276009698 /nfs/dbraw/zinc/00/96/98/1276009698.db2.gz AYUVHPLAZUWVJD-PWSUYJOCSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001578576278 1276009703 /nfs/dbraw/zinc/00/97/03/1276009703.db2.gz AYUVHPLAZUWVJD-PWSUYJOCSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CCCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001578576260 1276010051 /nfs/dbraw/zinc/01/00/51/1276010051.db2.gz ANYPISGBCNKVSO-NSHDSACASA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CCCNC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001578576260 1276010060 /nfs/dbraw/zinc/01/00/60/1276010060.db2.gz ANYPISGBCNKVSO-NSHDSACASA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)n1 ZINC001578597295 1276030175 /nfs/dbraw/zinc/03/01/75/1276030175.db2.gz CTWJIFGZYGPWLV-VWYCJHECSA-N -1 1 353.390 0.168 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)n1 ZINC001578597295 1276030181 /nfs/dbraw/zinc/03/01/81/1276030181.db2.gz CTWJIFGZYGPWLV-VWYCJHECSA-N -1 1 353.390 0.168 20 30 FCEDMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001578655357 1276106245 /nfs/dbraw/zinc/10/62/45/1276106245.db2.gz MXDUEISDMALHMW-QWRGUYRKSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001578655357 1276106250 /nfs/dbraw/zinc/10/62/50/1276106250.db2.gz MXDUEISDMALHMW-QWRGUYRKSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578672098 1276123616 /nfs/dbraw/zinc/12/36/16/1276123616.db2.gz LZGPBGRFYQRAPO-GHMZBOCLSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578672098 1276123618 /nfs/dbraw/zinc/12/36/18/1276123618.db2.gz LZGPBGRFYQRAPO-GHMZBOCLSA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578921400 1276463021 /nfs/dbraw/zinc/46/30/21/1276463021.db2.gz PMQWAPFPEIVBSQ-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578921400 1276463026 /nfs/dbraw/zinc/46/30/26/1276463026.db2.gz PMQWAPFPEIVBSQ-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CC(=O)NCc1cccs1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579009374 1276584001 /nfs/dbraw/zinc/58/40/01/1276584001.db2.gz GSQASBQWTCHHRV-UHFFFAOYSA-N -1 1 355.387 0.342 20 30 FCEDMM CN(CC(=O)NCc1cccs1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579009374 1276584007 /nfs/dbraw/zinc/58/40/07/1276584007.db2.gz GSQASBQWTCHHRV-UHFFFAOYSA-N -1 1 355.387 0.342 20 30 FCEDMM CN(CCNC(=O)CC#Cc1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001579174021 1276931765 /nfs/dbraw/zinc/93/17/65/1276931765.db2.gz KCPYMTNANGRISQ-UHFFFAOYSA-N -1 1 362.397 0.651 20 30 FCEDMM CN(CCNC(=O)CC#Cc1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001579174021 1276931776 /nfs/dbraw/zinc/93/17/76/1276931776.db2.gz KCPYMTNANGRISQ-UHFFFAOYSA-N -1 1 362.397 0.651 20 30 FCEDMM CN1C(=O)C[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc21 ZINC001579298987 1277125417 /nfs/dbraw/zinc/12/54/17/1277125417.db2.gz UHXVSZSWZOTABJ-SECBINFHSA-N -1 1 363.341 0.550 20 30 FCEDMM COC(=O)CCN(C[C@@H]1CCCO1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579448016 1277336901 /nfs/dbraw/zinc/33/69/01/1277336901.db2.gz UXRPIUAKVQVXDO-JTQLQIEISA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)CCN(C[C@@H]1CCCO1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579448016 1277336909 /nfs/dbraw/zinc/33/69/09/1277336909.db2.gz UXRPIUAKVQVXDO-JTQLQIEISA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)CCN(C[C@@H]1CCCO1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579447336 1277337815 /nfs/dbraw/zinc/33/78/15/1277337815.db2.gz JEQKPDKXJGDKKQ-JTQLQIEISA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)c1cc(C(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c(C)[nH]1 ZINC001579477166 1277383238 /nfs/dbraw/zinc/38/32/38/1277383238.db2.gz BXJYGDBEAKBTDA-UHFFFAOYSA-N -1 1 354.330 0.549 20 30 FCEDMM CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001603098819 1287308604 /nfs/dbraw/zinc/30/86/04/1287308604.db2.gz FXWCQJJYBALILJ-VIFPVBQESA-N -1 1 357.378 0.632 20 30 FCEDMM COc1c(C)[nH]cc(CN(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)c1=O ZINC001579875265 1277946093 /nfs/dbraw/zinc/94/60/93/1277946093.db2.gz VEHCUHLIWGBGBJ-UHFFFAOYSA-N -1 1 353.346 0.170 20 30 FCEDMM COc1cc(OC)cc([C@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001579937769 1277970238 /nfs/dbraw/zinc/97/02/38/1277970238.db2.gz WREZKHGZBNETHH-CYBMUJFWSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1cc(OC)cc([C@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001579937769 1277970243 /nfs/dbraw/zinc/97/02/43/1277970243.db2.gz WREZKHGZBNETHH-CYBMUJFWSA-N -1 1 368.357 0.691 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189963 1287326048 /nfs/dbraw/zinc/32/60/48/1287326048.db2.gz SQUTVLFHQROXLU-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189963 1287326056 /nfs/dbraw/zinc/32/60/56/1287326056.db2.gz SQUTVLFHQROXLU-CHWSQXEVSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189993 1287326511 /nfs/dbraw/zinc/32/65/11/1287326511.db2.gz SXONYDJEBGWSNA-ZIAGYGMSSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189989 1287326789 /nfs/dbraw/zinc/32/67/89/1287326789.db2.gz SXONYDJEBGWSNA-KGLIPLIRSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001603190085 1287326843 /nfs/dbraw/zinc/32/68/43/1287326843.db2.gz VNJCXJKBVAAKHW-ZIAGYGMSSA-N -1 1 368.445 0.635 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189590 1287327069 /nfs/dbraw/zinc/32/70/69/1287327069.db2.gz POECAFGZWOOENR-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189590 1287327073 /nfs/dbraw/zinc/32/70/73/1287327073.db2.gz POECAFGZWOOENR-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM Cc1cccc(C)c1OC[C@@H](O)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581234929 1279521955 /nfs/dbraw/zinc/52/19/55/1279521955.db2.gz MGEWIVRJLKBRLU-LBPRGKRZSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1nsc(N2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001581684082 1280390361 /nfs/dbraw/zinc/39/03/61/1280390361.db2.gz KGUFRFSUMUPBDJ-INTQDDNPSA-N -1 1 358.431 0.686 20 30 FCEDMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001603565474 1287426940 /nfs/dbraw/zinc/42/69/40/1287426940.db2.gz YJTQRLUSNAWRFI-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001603565474 1287426946 /nfs/dbraw/zinc/42/69/46/1287426946.db2.gz YJTQRLUSNAWRFI-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM Cn1nccc1[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001581837906 1280592321 /nfs/dbraw/zinc/59/23/21/1280592321.db2.gz DXYODIGKSFYYIM-JOYOIKCWSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1nccc1[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001581837906 1280592329 /nfs/dbraw/zinc/59/23/29/1280592329.db2.gz DXYODIGKSFYYIM-JOYOIKCWSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CC[C@@]1(O)CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001581858145 1280608137 /nfs/dbraw/zinc/60/81/37/1280608137.db2.gz SGASIICWQNPUJE-LLVKDONJSA-N -1 1 354.783 0.859 20 30 FCEDMM N#CCc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001581859407 1280611242 /nfs/dbraw/zinc/61/12/42/1280611242.db2.gz GMZQWRXBWNEWEE-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#CCc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001581859407 1280611246 /nfs/dbraw/zinc/61/12/46/1280611246.db2.gz GMZQWRXBWNEWEE-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#C[C@@]12CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]1CS(=O)(=O)C2 ZINC001581859825 1280612007 /nfs/dbraw/zinc/61/20/07/1280612007.db2.gz XNPJYFOBJUUPEJ-ZANVPECISA-N -1 1 350.429 0.298 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@H](O)c1cc(Br)no1 ZINC001581860587 1280613411 /nfs/dbraw/zinc/61/34/11/1280613411.db2.gz IHPJKVBEXWAXRG-YFKPBYRVSA-N -1 1 366.139 0.001 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c[nH]1 ZINC001581864013 1280615677 /nfs/dbraw/zinc/61/56/77/1280615677.db2.gz BCXMXQYKHSEBFE-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c[nH]1 ZINC001581864013 1280615685 /nfs/dbraw/zinc/61/56/85/1280615685.db2.gz BCXMXQYKHSEBFE-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864505 1280616375 /nfs/dbraw/zinc/61/63/75/1280616375.db2.gz ZDILNWBRWBANRO-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864505 1280616384 /nfs/dbraw/zinc/61/63/84/1280616384.db2.gz ZDILNWBRWBANRO-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864762 1280618586 /nfs/dbraw/zinc/61/85/86/1280618586.db2.gz MYQQWSOBCPUERB-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864762 1280618597 /nfs/dbraw/zinc/61/85/97/1280618597.db2.gz MYQQWSOBCPUERB-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581864655 1280619258 /nfs/dbraw/zinc/61/92/58/1280619258.db2.gz GWFMQDDGMMNQBI-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c[nH]1 ZINC001581865389 1280620114 /nfs/dbraw/zinc/62/01/14/1280620114.db2.gz JHGQWDUCTNSWJJ-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c[nH]1 ZINC001581865389 1280620123 /nfs/dbraw/zinc/62/01/23/1280620123.db2.gz JHGQWDUCTNSWJJ-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c[nH]1 ZINC001581865383 1280620577 /nfs/dbraw/zinc/62/05/77/1280620577.db2.gz JAAMUMAWNNMRJD-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c[nH]1 ZINC001581865383 1280620585 /nfs/dbraw/zinc/62/05/85/1280620585.db2.gz JAAMUMAWNNMRJD-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c[nH]1 ZINC001581865800 1280620794 /nfs/dbraw/zinc/62/07/94/1280620794.db2.gz OWALBOQWYPVFPO-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c[nH]1 ZINC001581865800 1280620801 /nfs/dbraw/zinc/62/08/01/1280620801.db2.gz OWALBOQWYPVFPO-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)[nH]1 ZINC001581867703 1280622978 /nfs/dbraw/zinc/62/29/78/1280622978.db2.gz RWIZVRVFDQKCHT-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)[nH]1 ZINC001581867703 1280622985 /nfs/dbraw/zinc/62/29/85/1280622985.db2.gz RWIZVRVFDQKCHT-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1nc(N2CC(n3cc(-c4nn[n-]n4)c(=O)[nH]c3=O)C2)ccc1Cl ZINC001581878544 1280634772 /nfs/dbraw/zinc/63/47/72/1280634772.db2.gz QEWVXNSEPJLHRH-UHFFFAOYSA-N -1 1 371.748 0.110 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)N3CCCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581879399 1280636463 /nfs/dbraw/zinc/63/64/63/1280636463.db2.gz JMTKFDKYYUUPRR-UHFFFAOYSA-N -1 1 368.405 0.256 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)N3CCCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581879399 1280636472 /nfs/dbraw/zinc/63/64/72/1280636472.db2.gz JMTKFDKYYUUPRR-UHFFFAOYSA-N -1 1 368.405 0.256 20 30 FCEDMM N#Cc1nc(NC[C@H](n2cccn2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880124 1280636854 /nfs/dbraw/zinc/63/68/54/1280636854.db2.gz AAQONBKUPJYLTB-QMMMGPOBSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1nc(NC[C@H](n2cccn2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880124 1280636866 /nfs/dbraw/zinc/63/68/66/1280636866.db2.gz AAQONBKUPJYLTB-QMMMGPOBSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1nc(N[C@H]2CS(=O)(=O)Cc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880780 1280639797 /nfs/dbraw/zinc/63/97/97/1280639797.db2.gz VKCKXHXHSGNADK-LBPRGKRZSA-N -1 1 368.382 0.610 20 30 FCEDMM N#Cc1nc(N[C@H]2CS(=O)(=O)Cc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880780 1280639801 /nfs/dbraw/zinc/63/98/01/1280639801.db2.gz VKCKXHXHSGNADK-LBPRGKRZSA-N -1 1 368.382 0.610 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cnc1-c1nnn[n-]1 ZINC001581880696 1280640022 /nfs/dbraw/zinc/64/00/22/1280640022.db2.gz SGLLWOPXVXZONL-IINYFYTJSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cnc1-c1nn[n-]n1 ZINC001581880696 1280640030 /nfs/dbraw/zinc/64/00/30/1280640030.db2.gz SGLLWOPXVXZONL-IINYFYTJSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1ncc(N2CCC(OC[C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001581881900 1280640654 /nfs/dbraw/zinc/64/06/54/1280640654.db2.gz DQDXTLXTSHNLHB-LLVKDONJSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N[C@@H]2CC(=O)N(C3CCCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880606 1280641049 /nfs/dbraw/zinc/64/10/49/1280641049.db2.gz PUSGQAHBRJSULC-SNVBAGLBSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1nc(N[C@@H]2CC(=O)N(C3CCCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880606 1280641056 /nfs/dbraw/zinc/64/10/56/1280641056.db2.gz PUSGQAHBRJSULC-SNVBAGLBSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2cccc(F)c2)cnc1-c1nnn[n-]1 ZINC001581880886 1280641592 /nfs/dbraw/zinc/64/15/92/1280641592.db2.gz YKCQKBRSPLSXHL-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2cccc(F)c2)cnc1-c1nn[n-]n1 ZINC001581880886 1280641606 /nfs/dbraw/zinc/64/16/06/1280641606.db2.gz YKCQKBRSPLSXHL-JTQLQIEISA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@H]2CC2CCOCC2)nc1-c1nn[n-]n1 ZINC001581882497 1280643201 /nfs/dbraw/zinc/64/32/01/1280643201.db2.gz AYOADTIOYFJXCY-GFCCVEGCSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCCN(CC(F)(F)F)C2=O)nc1-c1nn[n-]n1 ZINC001581882513 1280643264 /nfs/dbraw/zinc/64/32/64/1280643264.db2.gz BRLCEKKCJRMKMD-ZETCQYMHSA-N -1 1 367.295 0.494 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(Cc3ccccc3)C2=O)nc1-c1nn[n-]n1 ZINC001581883354 1280646508 /nfs/dbraw/zinc/64/65/08/1280646508.db2.gz XILIHFJOSDIHLN-GFCCVEGCSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(c3ncccc3F)C2)nc1-c1nn[n-]n1 ZINC001581883127 1280647515 /nfs/dbraw/zinc/64/75/15/1280647515.db2.gz OUFPYUVTKNBSQI-VIFPVBQESA-N -1 1 352.337 0.753 20 30 FCEDMM N#Cc1sc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)nc1Cl ZINC001581886093 1280654588 /nfs/dbraw/zinc/65/45/88/1280654588.db2.gz YUKQHINUFMUAST-UHFFFAOYSA-N -1 1 365.770 0.261 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581912543 1280713472 /nfs/dbraw/zinc/71/34/72/1280713472.db2.gz PKPYENOZGLCGKP-KSSFIOAISA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581912543 1280713480 /nfs/dbraw/zinc/71/34/80/1280713480.db2.gz PKPYENOZGLCGKP-KSSFIOAISA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581912721 1280716707 /nfs/dbraw/zinc/71/67/07/1280716707.db2.gz VZSSTHSCSFNYIG-FZKQIMNGSA-N -1 1 364.413 0.688 20 30 FCEDMM C#C[C@@H]1CCCCN1c1nnc(-c2cnc(-c3nnn[n-]3)cn2)n1CC ZINC001588331499 1282424068 /nfs/dbraw/zinc/42/40/68/1282424068.db2.gz BGVYQBAMQWOLMW-LLVKDONJSA-N -1 1 350.390 0.927 20 30 FCEDMM C#C[C@@H]1CCCCN1c1nnc(-c2cnc(-c3nn[n-]n3)cn2)n1CC ZINC001588331499 1282424070 /nfs/dbraw/zinc/42/40/70/1282424070.db2.gz BGVYQBAMQWOLMW-LLVKDONJSA-N -1 1 350.390 0.927 20 30 FCEDMM C#CC[C@@H](Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001588334046 1282426764 /nfs/dbraw/zinc/42/67/64/1282426764.db2.gz MLHAYVVXKHOWDF-ZDUSSCGKSA-N -1 1 365.397 0.311 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588336167 1282429501 /nfs/dbraw/zinc/42/95/01/1282429501.db2.gz JGLKTLRAQIQZIE-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588336167 1282429503 /nfs/dbraw/zinc/42/95/03/1282429503.db2.gz JGLKTLRAQIQZIE-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCC[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001588337139 1282430322 /nfs/dbraw/zinc/43/03/22/1282430322.db2.gz KBPPFHBTDHAFBV-SECBINFHSA-N -1 1 355.807 0.573 20 30 FCEDMM C#CCC[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001588337139 1282430326 /nfs/dbraw/zinc/43/03/26/1282430326.db2.gz KBPPFHBTDHAFBV-SECBINFHSA-N -1 1 355.807 0.573 20 30 FCEDMM C#CCCCC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588338358 1282430513 /nfs/dbraw/zinc/43/05/13/1282430513.db2.gz KAJMLQUSDIJLAJ-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588338661 1282432506 /nfs/dbraw/zinc/43/25/06/1282432506.db2.gz NTJSIGZSPPFHLV-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588338986 1282432601 /nfs/dbraw/zinc/43/26/01/1282432601.db2.gz KESQQSMNKNQHMR-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588338986 1282432604 /nfs/dbraw/zinc/43/26/04/1282432604.db2.gz KESQQSMNKNQHMR-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588339389 1282434737 /nfs/dbraw/zinc/43/47/37/1282434737.db2.gz ZJFVBJWMRHIRKV-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588339389 1282434743 /nfs/dbraw/zinc/43/47/43/1282434743.db2.gz ZJFVBJWMRHIRKV-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588340948 1282436103 /nfs/dbraw/zinc/43/61/03/1282436103.db2.gz NKFDGWLSNUGWSO-CHWSQXEVSA-N -1 1 354.418 0.649 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588340948 1282436108 /nfs/dbraw/zinc/43/61/08/1282436108.db2.gz NKFDGWLSNUGWSO-CHWSQXEVSA-N -1 1 354.418 0.649 20 30 FCEDMM C#CCCCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588340545 1282436618 /nfs/dbraw/zinc/43/66/18/1282436618.db2.gz UGCHNFJAOIMDNF-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588340545 1282436623 /nfs/dbraw/zinc/43/66/23/1282436623.db2.gz UGCHNFJAOIMDNF-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001588340947 1282436757 /nfs/dbraw/zinc/43/67/57/1282436757.db2.gz NKAHLMCMEOFQPN-UGSOOPFHSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001588340947 1282436763 /nfs/dbraw/zinc/43/67/63/1282436763.db2.gz NKAHLMCMEOFQPN-UGSOOPFHSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588342677 1282438208 /nfs/dbraw/zinc/43/82/08/1282438208.db2.gz PPWBGLNCUAKJES-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588342677 1282438217 /nfs/dbraw/zinc/43/82/17/1282438217.db2.gz PPWBGLNCUAKJES-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588342187 1282438775 /nfs/dbraw/zinc/43/87/75/1282438775.db2.gz HHGDDTUELALMOG-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588345189 1282440413 /nfs/dbraw/zinc/44/04/13/1282440413.db2.gz UKLINMGHNCJFSS-LAQFHYBYSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588345189 1282440419 /nfs/dbraw/zinc/44/04/19/1282440419.db2.gz UKLINMGHNCJFSS-LAQFHYBYSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344693 1282440526 /nfs/dbraw/zinc/44/05/26/1282440526.db2.gz AKOIRYGYTJYOPJ-OKILXGFUSA-N -1 1 368.445 0.969 20 30 FCEDMM C#CCCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344219 1282440847 /nfs/dbraw/zinc/44/08/47/1282440847.db2.gz ILBQTUVPQMKISJ-CYBMUJFWSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588347418 1282441518 /nfs/dbraw/zinc/44/15/18/1282441518.db2.gz NYSWEUDAMFFUQA-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588347418 1282441521 /nfs/dbraw/zinc/44/15/21/1282441521.db2.gz NYSWEUDAMFFUQA-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588348371 1282442009 /nfs/dbraw/zinc/44/20/09/1282442009.db2.gz SLZREYFQOKEZED-OCCSQVGLSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(CC)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1CC(=C)C ZINC001588350753 1282444248 /nfs/dbraw/zinc/44/42/48/1282444248.db2.gz OOYZVVIUZZCIGR-UHFFFAOYSA-N -1 1 353.394 0.134 20 30 FCEDMM C#CCN(CC#CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CC1CC1 ZINC001588350187 1282444533 /nfs/dbraw/zinc/44/45/33/1282444533.db2.gz HMVGKPRFBOCBIV-UHFFFAOYSA-N -1 1 362.401 0.721 20 30 FCEDMM C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588351038 1282446098 /nfs/dbraw/zinc/44/60/98/1282446098.db2.gz ZCEKIMQCXCGBTE-NSHDSACASA-N -1 1 354.349 0.820 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@@H]1CCOC1 ZINC001588351056 1282447830 /nfs/dbraw/zinc/44/78/30/1282447830.db2.gz ZHWBYWROXKBKSA-NSHDSACASA-N -1 1 368.405 0.344 20 30 FCEDMM C#CCNC(=O)C1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001588354532 1282449078 /nfs/dbraw/zinc/44/90/78/1282449078.db2.gz PCHVYUQTHCCEPU-UHFFFAOYSA-N -1 1 351.823 0.942 20 30 FCEDMM C#CCNC(=O)C1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001588354532 1282449082 /nfs/dbraw/zinc/44/90/82/1282449082.db2.gz PCHVYUQTHCCEPU-UHFFFAOYSA-N -1 1 351.823 0.942 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354990 1282451269 /nfs/dbraw/zinc/45/12/69/1282451269.db2.gz BPSIAINULNRJPH-CHWSQXEVSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354990 1282451274 /nfs/dbraw/zinc/45/12/74/1282451274.db2.gz BPSIAINULNRJPH-CHWSQXEVSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588355061 1282451571 /nfs/dbraw/zinc/45/15/71/1282451571.db2.gz DWKLFXRNCBYSEZ-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588355061 1282451576 /nfs/dbraw/zinc/45/15/76/1282451576.db2.gz DWKLFXRNCBYSEZ-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588355957 1282457333 /nfs/dbraw/zinc/45/73/33/1282457333.db2.gz QCPXKDFBDFWATO-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588355957 1282457336 /nfs/dbraw/zinc/45/73/36/1282457336.db2.gz QCPXKDFBDFWATO-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588357285 1282464460 /nfs/dbraw/zinc/46/44/60/1282464460.db2.gz KLEZVTFJFXQVQR-ZYHUDNBSSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588357285 1282464465 /nfs/dbraw/zinc/46/44/65/1282464465.db2.gz KLEZVTFJFXQVQR-ZYHUDNBSSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588357637 1282467135 /nfs/dbraw/zinc/46/71/35/1282467135.db2.gz OCJLOSPFZXHYKE-SSDOTTSWSA-N -1 1 355.811 0.543 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588357637 1282467138 /nfs/dbraw/zinc/46/71/38/1282467138.db2.gz OCJLOSPFZXHYKE-SSDOTTSWSA-N -1 1 355.811 0.543 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001588358348 1282468407 /nfs/dbraw/zinc/46/84/07/1282468407.db2.gz WHCGNHRYZXCTOV-NWDGAFQWSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001588358348 1282468413 /nfs/dbraw/zinc/46/84/13/1282468413.db2.gz WHCGNHRYZXCTOV-NWDGAFQWSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C(C)C ZINC001588358408 1282468654 /nfs/dbraw/zinc/46/86/54/1282468654.db2.gz WUMUSVMUYYQNCL-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C(C)C ZINC001588358408 1282468660 /nfs/dbraw/zinc/46/86/60/1282468660.db2.gz WUMUSVMUYYQNCL-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588359000 1282472826 /nfs/dbraw/zinc/47/28/26/1282472826.db2.gz FVMHDCTYIXCSBD-ZJUUUORDSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588359072 1282473288 /nfs/dbraw/zinc/47/32/88/1282473288.db2.gz GWDUHQXPAODRRY-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588359072 1282473292 /nfs/dbraw/zinc/47/32/92/1282473292.db2.gz GWDUHQXPAODRRY-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588359624 1282474593 /nfs/dbraw/zinc/47/45/93/1282474593.db2.gz UMFZJLPNCVGPAB-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588359624 1282474596 /nfs/dbraw/zinc/47/45/96/1282474596.db2.gz UMFZJLPNCVGPAB-UHFFFAOYSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001588359866 1282477074 /nfs/dbraw/zinc/47/70/74/1282477074.db2.gz ZQOZFSPSWZGRTG-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001588359866 1282477081 /nfs/dbraw/zinc/47/70/81/1282477081.db2.gz ZQOZFSPSWZGRTG-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588360212 1282478123 /nfs/dbraw/zinc/47/81/23/1282478123.db2.gz KVOIXMSYVPRUEF-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588360212 1282478128 /nfs/dbraw/zinc/47/81/28/1282478128.db2.gz KVOIXMSYVPRUEF-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588360351 1282478617 /nfs/dbraw/zinc/47/86/17/1282478617.db2.gz OPPCJUCYRWHHMC-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588360351 1282478621 /nfs/dbraw/zinc/47/86/21/1282478621.db2.gz OPPCJUCYRWHHMC-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588361853 1282483914 /nfs/dbraw/zinc/48/39/14/1282483914.db2.gz UAPLLGQLHDKWMO-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588361853 1282483929 /nfs/dbraw/zinc/48/39/29/1282483929.db2.gz UAPLLGQLHDKWMO-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588361916 1282484673 /nfs/dbraw/zinc/48/46/73/1282484673.db2.gz UMYHZAFSQLKCRA-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588361916 1282484691 /nfs/dbraw/zinc/48/46/91/1282484691.db2.gz UMYHZAFSQLKCRA-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588362145 1282486244 /nfs/dbraw/zinc/48/62/44/1282486244.db2.gz WZZXFOJSMKRQLE-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588362145 1282486247 /nfs/dbraw/zinc/48/62/47/1282486247.db2.gz WZZXFOJSMKRQLE-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588362576 1282487816 /nfs/dbraw/zinc/48/78/16/1282487816.db2.gz LRFLKTGXMZWXAO-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588362576 1282487822 /nfs/dbraw/zinc/48/78/22/1282487822.db2.gz LRFLKTGXMZWXAO-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588362384 1282487895 /nfs/dbraw/zinc/48/78/95/1282487895.db2.gz CNWYTKUZKUCDGH-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588362384 1282487902 /nfs/dbraw/zinc/48/79/02/1282487902.db2.gz CNWYTKUZKUCDGH-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001588364782 1282490754 /nfs/dbraw/zinc/49/07/54/1282490754.db2.gz MFPZMRFQIIWIEV-KBPBESRZSA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001588364782 1282490758 /nfs/dbraw/zinc/49/07/58/1282490758.db2.gz MFPZMRFQIIWIEV-KBPBESRZSA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588364431 1282490925 /nfs/dbraw/zinc/49/09/25/1282490925.db2.gz FGLKZPQYLUZFFR-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588364431 1282490928 /nfs/dbraw/zinc/49/09/28/1282490928.db2.gz FGLKZPQYLUZFFR-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#CCn1ccc(CN(CCOC)Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001588364307 1282491037 /nfs/dbraw/zinc/49/10/37/1282491037.db2.gz AKTSNSLVPRPPLA-UHFFFAOYSA-N -1 1 358.431 0.802 20 30 FCEDMM C#CCn1ccc(CN(CCOC)Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001588364307 1282491041 /nfs/dbraw/zinc/49/10/41/1282491041.db2.gz AKTSNSLVPRPPLA-UHFFFAOYSA-N -1 1 358.431 0.802 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588364418 1282491071 /nfs/dbraw/zinc/49/10/71/1282491071.db2.gz DZVSSAAMYOWJFJ-UHFFFAOYSA-N -1 1 363.385 0.029 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001588364285 1282491945 /nfs/dbraw/zinc/49/19/45/1282491945.db2.gz CSVOUYSEBZREOY-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001588364285 1282491952 /nfs/dbraw/zinc/49/19/52/1282491952.db2.gz CSVOUYSEBZREOY-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588368706 1282493621 /nfs/dbraw/zinc/49/36/21/1282493621.db2.gz XFBGLCUTKCDOJS-LBPRGKRZSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001588370137 1282493745 /nfs/dbraw/zinc/49/37/45/1282493745.db2.gz OVOXETPRPUOULL-NSHDSACASA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001588370137 1282493751 /nfs/dbraw/zinc/49/37/51/1282493751.db2.gz OVOXETPRPUOULL-NSHDSACASA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001588380861 1282497581 /nfs/dbraw/zinc/49/75/81/1282497581.db2.gz OCXHSSYAVPCDAA-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001588380861 1282497589 /nfs/dbraw/zinc/49/75/89/1282497589.db2.gz OCXHSSYAVPCDAA-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588410559 1282502671 /nfs/dbraw/zinc/50/26/71/1282502671.db2.gz RWXSPVRCLFTOFN-GFCCVEGCSA-N -1 1 360.422 0.553 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588410559 1282502676 /nfs/dbraw/zinc/50/26/76/1282502676.db2.gz RWXSPVRCLFTOFN-GFCCVEGCSA-N -1 1 360.422 0.553 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001588456546 1282511791 /nfs/dbraw/zinc/51/17/91/1282511791.db2.gz PZKRZRYJFJMFPA-YABSGUDNSA-N -1 1 352.402 0.564 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001588456546 1282511801 /nfs/dbraw/zinc/51/18/01/1282511801.db2.gz PZKRZRYJFJMFPA-YABSGUDNSA-N -1 1 352.402 0.564 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468526 1282514331 /nfs/dbraw/zinc/51/43/31/1282514331.db2.gz LUSOTROOKXYBHG-VXGBXAGGSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588469237 1282514559 /nfs/dbraw/zinc/51/45/59/1282514559.db2.gz ZCRCIGNHOKJEJC-NSHDSACASA-N -1 1 360.422 0.409 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588469237 1282514570 /nfs/dbraw/zinc/51/45/70/1282514570.db2.gz ZCRCIGNHOKJEJC-NSHDSACASA-N -1 1 360.422 0.409 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001588477926 1282517416 /nfs/dbraw/zinc/51/74/16/1282517416.db2.gz LOQNLABCNUQRFU-VXGBXAGGSA-N -1 1 358.406 0.189 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001588477926 1282517429 /nfs/dbraw/zinc/51/74/29/1282517429.db2.gz LOQNLABCNUQRFU-VXGBXAGGSA-N -1 1 358.406 0.189 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588482727 1282521027 /nfs/dbraw/zinc/52/10/27/1282521027.db2.gz XJUZVJLOYNFNFR-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588482727 1282521033 /nfs/dbraw/zinc/52/10/33/1282521033.db2.gz XJUZVJLOYNFNFR-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588495360 1282522018 /nfs/dbraw/zinc/52/20/18/1282522018.db2.gz COCGAFBSEPWGLK-QGZVFWFLSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588495360 1282522028 /nfs/dbraw/zinc/52/20/28/1282522028.db2.gz COCGAFBSEPWGLK-QGZVFWFLSA-N -1 1 372.433 0.534 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588491105 1282522675 /nfs/dbraw/zinc/52/26/75/1282522675.db2.gz CWKNXMYMFAXMOH-ZBEGNZNMSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588491105 1282522687 /nfs/dbraw/zinc/52/26/87/1282522687.db2.gz CWKNXMYMFAXMOH-ZBEGNZNMSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588494953 1282523253 /nfs/dbraw/zinc/52/32/53/1282523253.db2.gz ZDNCZGIHNRZQFS-ZBEGNZNMSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588494953 1282523262 /nfs/dbraw/zinc/52/32/62/1282523262.db2.gz ZDNCZGIHNRZQFS-ZBEGNZNMSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588493408 1282523484 /nfs/dbraw/zinc/52/34/84/1282523484.db2.gz FFFBMFQXBYUBEL-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588493408 1282523491 /nfs/dbraw/zinc/52/34/91/1282523491.db2.gz FFFBMFQXBYUBEL-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588494947 1282524121 /nfs/dbraw/zinc/52/41/21/1282524121.db2.gz ZDNCZGIHNRZQFS-BDJLRTHQSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588494947 1282524130 /nfs/dbraw/zinc/52/41/30/1282524130.db2.gz ZDNCZGIHNRZQFS-BDJLRTHQSA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588498479 1282525010 /nfs/dbraw/zinc/52/50/10/1282525010.db2.gz AIABQOMAMIFXAO-PXAZEXFGSA-N -1 1 372.433 0.269 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588496280 1282525131 /nfs/dbraw/zinc/52/51/31/1282525131.db2.gz ORBIXGRQGPXSAG-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588496280 1282525149 /nfs/dbraw/zinc/52/51/49/1282525149.db2.gz ORBIXGRQGPXSAG-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588495656 1282526016 /nfs/dbraw/zinc/52/60/16/1282526016.db2.gz HRCAQWJTFVMGHJ-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588500216 1282530441 /nfs/dbraw/zinc/53/04/41/1282530441.db2.gz SSSBYVSQIODREV-SUMWQHHRSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588500216 1282530446 /nfs/dbraw/zinc/53/04/46/1282530446.db2.gz SSSBYVSQIODREV-SUMWQHHRSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588500259 1282532184 /nfs/dbraw/zinc/53/21/84/1282532184.db2.gz UHZSFGFNXUCQKS-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588500259 1282532193 /nfs/dbraw/zinc/53/21/93/1282532193.db2.gz UHZSFGFNXUCQKS-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588500994 1282533624 /nfs/dbraw/zinc/53/36/24/1282533624.db2.gz HSURPRUKNUXAJK-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588500994 1282533636 /nfs/dbraw/zinc/53/36/36/1282533636.db2.gz HSURPRUKNUXAJK-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588501185 1282535097 /nfs/dbraw/zinc/53/50/97/1282535097.db2.gz KVPVNUNZXXBBJV-OMXAPOSASA-N -1 1 372.433 0.551 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588501185 1282535105 /nfs/dbraw/zinc/53/51/05/1282535105.db2.gz KVPVNUNZXXBBJV-OMXAPOSASA-N -1 1 372.433 0.551 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588500957 1282535442 /nfs/dbraw/zinc/53/54/42/1282535442.db2.gz HFABGALAWKENQN-JKSUJKDBSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588500957 1282535451 /nfs/dbraw/zinc/53/54/51/1282535451.db2.gz HFABGALAWKENQN-JKSUJKDBSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501030 1282535874 /nfs/dbraw/zinc/53/58/74/1282535874.db2.gz IKAAIZGQVWVYET-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588501312 1282537373 /nfs/dbraw/zinc/53/73/73/1282537373.db2.gz MFIYOSIHZROXSK-MFGLSYLJSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588501312 1282537380 /nfs/dbraw/zinc/53/73/80/1282537380.db2.gz MFIYOSIHZROXSK-MFGLSYLJSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588501992 1282538857 /nfs/dbraw/zinc/53/88/57/1282538857.db2.gz PUQMXBZXOCXEIS-IRXDYDNUSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588501992 1282538868 /nfs/dbraw/zinc/53/88/68/1282538868.db2.gz PUQMXBZXOCXEIS-IRXDYDNUSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588501930 1282538922 /nfs/dbraw/zinc/53/89/22/1282538922.db2.gz PMZADIMTGJIROG-SJCJKPOMSA-N -1 1 372.433 0.199 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001588505769 1282547507 /nfs/dbraw/zinc/54/75/07/1282547507.db2.gz XDKUXNYRQZNYHB-INIZCTEOSA-N -1 1 372.433 0.247 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505845 1282548137 /nfs/dbraw/zinc/54/81/37/1282548137.db2.gz YLFPQLCBJOCFLQ-GLKRBJQHSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505845 1282548144 /nfs/dbraw/zinc/54/81/44/1282548144.db2.gz YLFPQLCBJOCFLQ-GLKRBJQHSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505608 1282548255 /nfs/dbraw/zinc/54/82/55/1282548255.db2.gz SPMFWRUSHIDPCX-YVEFUNNKSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505608 1282548261 /nfs/dbraw/zinc/54/82/61/1282548261.db2.gz SPMFWRUSHIDPCX-YVEFUNNKSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588518907 1282556066 /nfs/dbraw/zinc/55/60/66/1282556066.db2.gz OALULSWCUPRJBI-NEPJUHHUSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588518907 1282556072 /nfs/dbraw/zinc/55/60/72/1282556072.db2.gz OALULSWCUPRJBI-NEPJUHHUSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588524260 1282557717 /nfs/dbraw/zinc/55/77/17/1282557717.db2.gz PCDSOYSSQNYXKI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588524260 1282557726 /nfs/dbraw/zinc/55/77/26/1282557726.db2.gz PCDSOYSSQNYXKI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588531533 1282560304 /nfs/dbraw/zinc/56/03/04/1282560304.db2.gz FEHBWLAKVXZZDT-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588531533 1282560314 /nfs/dbraw/zinc/56/03/14/1282560314.db2.gz FEHBWLAKVXZZDT-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@H](O)c1nnc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)n1C ZINC001588526588 1282560691 /nfs/dbraw/zinc/56/06/91/1282560691.db2.gz ZENVFUQLOZNHCS-LLVKDONJSA-N -1 1 373.446 0.603 20 30 FCEDMM C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588531490 1282560816 /nfs/dbraw/zinc/56/08/16/1282560816.db2.gz CWSUXUXREVDEIC-VXGBXAGGSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588531487 1282562533 /nfs/dbraw/zinc/56/25/33/1282562533.db2.gz CWSUXUXREVDEIC-NEPJUHHUSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001588538400 1282563828 /nfs/dbraw/zinc/56/38/28/1282563828.db2.gz PQNCVUHSLURXAN-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588538400 1282563834 /nfs/dbraw/zinc/56/38/34/1282563834.db2.gz PQNCVUHSLURXAN-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCC1(C(=O)NCCN(C)c2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001588553921 1282567329 /nfs/dbraw/zinc/56/73/29/1282567329.db2.gz WRANLJOOALWNQQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCC1(C(=O)NCCN(C)c2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588553921 1282567336 /nfs/dbraw/zinc/56/73/36/1282567336.db2.gz WRANLJOOALWNQQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCC1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001588553802 1282567918 /nfs/dbraw/zinc/56/79/18/1282567918.db2.gz UNTKSFIHHADQNK-UHFFFAOYSA-N -1 1 372.433 0.948 20 30 FCEDMM C=CCC1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001588553802 1282567927 /nfs/dbraw/zinc/56/79/27/1282567927.db2.gz UNTKSFIHHADQNK-UHFFFAOYSA-N -1 1 372.433 0.948 20 30 FCEDMM C=CCCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](OCC)C1 ZINC001588571256 1282568436 /nfs/dbraw/zinc/56/84/36/1282568436.db2.gz IFRDTDCXRMCINT-CHWSQXEVSA-N -1 1 372.433 0.320 20 30 FCEDMM C=CCCCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588586775 1282575098 /nfs/dbraw/zinc/57/50/98/1282575098.db2.gz MIQNFVIZIGJRPZ-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588586775 1282575107 /nfs/dbraw/zinc/57/51/07/1282575107.db2.gz MIQNFVIZIGJRPZ-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588588075 1282575949 /nfs/dbraw/zinc/57/59/49/1282575949.db2.gz CKRRMUHWMRIIPQ-CYBMUJFWSA-N -1 1 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C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608314 1282585698 /nfs/dbraw/zinc/58/56/98/1282585698.db2.gz JOUIPKFAVMNLBN-RWMBFGLXSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588609236 1282587263 /nfs/dbraw/zinc/58/72/63/1282587263.db2.gz VPTHBZVXOJAZBR-GFCCVEGCSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588609236 1282587269 /nfs/dbraw/zinc/58/72/69/1282587269.db2.gz VPTHBZVXOJAZBR-GFCCVEGCSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588611907 1282593071 /nfs/dbraw/zinc/59/30/71/1282593071.db2.gz ZKLRUWAQSYPMHV-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588611907 1282593081 /nfs/dbraw/zinc/59/30/81/1282593081.db2.gz ZKLRUWAQSYPMHV-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C 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1282627197 /nfs/dbraw/zinc/62/71/97/1282627197.db2.gz OLAAAOWTDYRAGI-CYBMUJFWSA-N -1 1 358.406 0.474 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588672636 1282628017 /nfs/dbraw/zinc/62/80/17/1282628017.db2.gz XFWIZFZCIKEJEH-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588672636 1282628033 /nfs/dbraw/zinc/62/80/33/1282628033.db2.gz XFWIZFZCIKEJEH-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001588674168 1282630381 /nfs/dbraw/zinc/63/03/81/1282630381.db2.gz JZPWXEXFXMHBQK-GFCCVEGCSA-N -1 1 370.417 0.334 20 30 FCEDMM C=CCOCC(=O)NCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588675991 1282635806 /nfs/dbraw/zinc/63/58/06/1282635806.db2.gz NICCJQGLQMGUQT-UHFFFAOYSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCOCC(=O)NCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588675991 1282635819 /nfs/dbraw/zinc/63/58/19/1282635819.db2.gz NICCJQGLQMGUQT-UHFFFAOYSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCOCCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588680792 1282637367 /nfs/dbraw/zinc/63/73/67/1282637367.db2.gz DOFFKJRNYQFFMO-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588680680 1282638374 /nfs/dbraw/zinc/63/83/74/1282638374.db2.gz ABYHDZGOCKHGEO-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588680680 1282638384 /nfs/dbraw/zinc/63/83/84/1282638384.db2.gz ABYHDZGOCKHGEO-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682737 1282643691 /nfs/dbraw/zinc/64/36/91/1282643691.db2.gz RQXVFCLTWCIOGP-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001588704001 1282652889 /nfs/dbraw/zinc/65/28/89/1282652889.db2.gz HWLYPXSDHDVAIY-TXEJJXNPSA-N -1 1 354.374 0.987 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001588704001 1282652901 /nfs/dbraw/zinc/65/29/01/1282652901.db2.gz HWLYPXSDHDVAIY-TXEJJXNPSA-N -1 1 354.374 0.987 20 30 FCEDMM C=CCn1c(C)nnc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588704411 1282654603 /nfs/dbraw/zinc/65/46/03/1282654603.db2.gz ZORRTTILCOXEFJ-UHFFFAOYSA-N -1 1 352.406 0.674 20 30 FCEDMM C=CCn1c(C)nnc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588704411 1282654612 /nfs/dbraw/zinc/65/46/12/1282654612.db2.gz ZORRTTILCOXEFJ-UHFFFAOYSA-N -1 1 352.406 0.674 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588718792 1282664523 /nfs/dbraw/zinc/66/45/23/1282664523.db2.gz SVMZLSYVMNCMRY-WZRBSPASSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588718792 1282664538 /nfs/dbraw/zinc/66/45/38/1282664538.db2.gz SVMZLSYVMNCMRY-WZRBSPASSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588722787 1282667082 /nfs/dbraw/zinc/66/70/82/1282667082.db2.gz BTRJQMMIJJBAGQ-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588722787 1282667092 /nfs/dbraw/zinc/66/70/92/1282667092.db2.gz BTRJQMMIJJBAGQ-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588721823 1282668781 /nfs/dbraw/zinc/66/87/81/1282668781.db2.gz OGALMIIEXAKNQM-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588721823 1282668792 /nfs/dbraw/zinc/66/87/92/1282668792.db2.gz OGALMIIEXAKNQM-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588723305 1282670701 /nfs/dbraw/zinc/67/07/01/1282670701.db2.gz KSGPJBJHPBYXAN-LOWVWBTDSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588723305 1282670715 /nfs/dbraw/zinc/67/07/15/1282670715.db2.gz KSGPJBJHPBYXAN-LOWVWBTDSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588724138 1282672320 /nfs/dbraw/zinc/67/23/20/1282672320.db2.gz WGHDBBMIJLRTAU-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588724138 1282672338 /nfs/dbraw/zinc/67/23/38/1282672338.db2.gz WGHDBBMIJLRTAU-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588740280 1282683120 /nfs/dbraw/zinc/68/31/20/1282683120.db2.gz KVORRHGXBGNGFP-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588740280 1282683135 /nfs/dbraw/zinc/68/31/35/1282683135.db2.gz KVORRHGXBGNGFP-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588743914 1282684856 /nfs/dbraw/zinc/68/48/56/1282684856.db2.gz OCEXBVJVAYZWBR-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588744360 1282686830 /nfs/dbraw/zinc/68/68/30/1282686830.db2.gz XXQJITRUEKLFDB-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C[C@@](C#N)(NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001588924488 1282726862 /nfs/dbraw/zinc/72/68/62/1282726862.db2.gz RPNUGQGPVGDBBE-INIZCTEOSA-N -1 1 372.389 0.108 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589068676 1282791973 /nfs/dbraw/zinc/79/19/73/1282791973.db2.gz WABZVLDWGJWMQQ-UHFFFAOYSA-N -1 1 354.418 0.531 20 30 FCEDMM CC(C)(C)C#CC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001589068588 1282792284 /nfs/dbraw/zinc/79/22/84/1282792284.db2.gz TYMVNVYQOUXCBK-LBPRGKRZSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589157435 1282813039 /nfs/dbraw/zinc/81/30/39/1282813039.db2.gz BKEYSYREFZDNRE-MWLCHTKSSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589157435 1282813047 /nfs/dbraw/zinc/81/30/47/1282813047.db2.gz BKEYSYREFZDNRE-MWLCHTKSSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589380290 1282857349 /nfs/dbraw/zinc/85/73/49/1282857349.db2.gz RWTYBRHJWAAOEY-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589380290 1282857368 /nfs/dbraw/zinc/85/73/68/1282857368.db2.gz RWTYBRHJWAAOEY-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001589380057 1282857801 /nfs/dbraw/zinc/85/78/01/1282857801.db2.gz KXOJKZBNBLJINP-OKILXGFUSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001589380057 1282857809 /nfs/dbraw/zinc/85/78/09/1282857809.db2.gz KXOJKZBNBLJINP-OKILXGFUSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589380166 1282858120 /nfs/dbraw/zinc/85/81/20/1282858120.db2.gz OCTUQTRFFHZEAI-QWHCGFSZSA-N -1 1 354.418 0.387 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589384673 1282860964 /nfs/dbraw/zinc/86/09/64/1282860964.db2.gz NENYGWSDCOFLPN-KBPBESRZSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589384477 1282861178 /nfs/dbraw/zinc/86/11/78/1282861178.db2.gz HNLCVGTWCQRPDC-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589384477 1282861192 /nfs/dbraw/zinc/86/11/92/1282861192.db2.gz HNLCVGTWCQRPDC-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001589386885 1282864439 /nfs/dbraw/zinc/86/44/39/1282864439.db2.gz DEYBQTQHDUBPGG-UHFFFAOYSA-N -1 1 366.429 0.577 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001589387716 1282866364 /nfs/dbraw/zinc/86/63/64/1282866364.db2.gz PBEBHUHSKYCPIR-ACJLOTCBSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001589387716 1282866373 /nfs/dbraw/zinc/86/63/73/1282866373.db2.gz PBEBHUHSKYCPIR-ACJLOTCBSA-N -1 1 366.429 0.934 20 30 FCEDMM C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589786769 1283002087 /nfs/dbraw/zinc/00/20/87/1283002087.db2.gz CDROBABLSLRDSF-VIFPVBQESA-N -1 1 359.394 0.517 20 30 FCEDMM C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589786769 1283002105 /nfs/dbraw/zinc/00/21/05/1283002105.db2.gz CDROBABLSLRDSF-VIFPVBQESA-N -1 1 359.394 0.517 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590008682 1283173380 /nfs/dbraw/zinc/17/33/80/1283173380.db2.gz NTFQMTWYVPJLSB-DIFFPNOSSA-N -1 1 371.401 0.790 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590008682 1283173384 /nfs/dbraw/zinc/17/33/84/1283173384.db2.gz NTFQMTWYVPJLSB-DIFFPNOSSA-N -1 1 371.401 0.790 20 30 FCEDMM CC1(CNC(=O)C#CC2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590129974 1283234920 /nfs/dbraw/zinc/23/49/20/1283234920.db2.gz WFPTUMXSJROYBB-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM CC1(CNC(=O)C#CC2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590129974 1283234929 /nfs/dbraw/zinc/23/49/29/1283234929.db2.gz WFPTUMXSJROYBB-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590169860 1283264506 /nfs/dbraw/zinc/26/45/06/1283264506.db2.gz FETKWTJPJXKWFR-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590169860 1283264509 /nfs/dbraw/zinc/26/45/09/1283264509.db2.gz FETKWTJPJXKWFR-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590169833 1283265242 /nfs/dbraw/zinc/26/52/42/1283265242.db2.gz DNQXVYRKKLGGGG-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM CCOC(=O)c1ccccc1NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001604390036 1287630568 /nfs/dbraw/zinc/63/05/68/1287630568.db2.gz LMUQDWJKNHKIBV-UHFFFAOYSA-N -1 1 366.341 0.750 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590266722 1283392464 /nfs/dbraw/zinc/39/24/64/1283392464.db2.gz UXDPLHPKESEJFW-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590266722 1283392476 /nfs/dbraw/zinc/39/24/76/1283392476.db2.gz UXDPLHPKESEJFW-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590284340 1283411421 /nfs/dbraw/zinc/41/14/21/1283411421.db2.gz RFWWJCOUTJCVQU-YPMHNXCESA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590284340 1283411427 /nfs/dbraw/zinc/41/14/27/1283411427.db2.gz RFWWJCOUTJCVQU-YPMHNXCESA-N -1 1 352.402 0.577 20 30 FCEDMM CCN(c1nc(C)cc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001590725283 1283751847 /nfs/dbraw/zinc/75/18/47/1283751847.db2.gz WIFVEOZOJKLKCO-CYBMUJFWSA-N -1 1 356.434 0.956 20 30 FCEDMM CCN(c1nc(C)cc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)C#CC(C)C ZINC001590725283 1283751857 /nfs/dbraw/zinc/75/18/57/1283751857.db2.gz WIFVEOZOJKLKCO-CYBMUJFWSA-N -1 1 356.434 0.956 20 30 FCEDMM CCOCCCN(C[C@@H](C)C(=O)OC)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590810240 1283885136 /nfs/dbraw/zinc/88/51/36/1283885136.db2.gz FOXVYIKFJPXQDW-LLVKDONJSA-N -1 1 374.405 0.570 20 30 FCEDMM CCOCCCN(C[C@@H](C)C(=O)OC)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590810240 1283885143 /nfs/dbraw/zinc/88/51/43/1283885143.db2.gz FOXVYIKFJPXQDW-LLVKDONJSA-N -1 1 374.405 0.570 20 30 FCEDMM CC[S@@](=O)c1ccccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590851028 1283926923 /nfs/dbraw/zinc/92/69/23/1283926923.db2.gz FTMUXNAHBGIICG-RUZDIDTESA-N -1 1 356.371 0.841 20 30 FCEDMM CCOc1ccccc1OCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590855570 1283927654 /nfs/dbraw/zinc/92/76/54/1283927654.db2.gz ZWQOSGIOCODJAO-UHFFFAOYSA-N -1 1 354.330 0.878 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001590903771 1283953640 /nfs/dbraw/zinc/95/36/40/1283953640.db2.gz OJNGYKNDRZLDLW-NSHDSACASA-N -1 1 354.418 0.573 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H](C)NC(=O)C#CC2CC2)n1 ZINC001590903771 1283953648 /nfs/dbraw/zinc/95/36/48/1283953648.db2.gz OJNGYKNDRZLDLW-NSHDSACASA-N -1 1 354.418 0.573 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)CSCC#N)cc(-c2nnn[n-]2)n1 ZINC001590913532 1283961742 /nfs/dbraw/zinc/96/17/42/1283961742.db2.gz FXJIEDFZZKZEOX-SECBINFHSA-N -1 1 361.435 0.392 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)CSCC#N)cc(-c2nn[n-]n2)n1 ZINC001590913532 1283961749 /nfs/dbraw/zinc/96/17/49/1283961749.db2.gz FXJIEDFZZKZEOX-SECBINFHSA-N -1 1 361.435 0.392 20 30 FCEDMM CCc1nc(NCCCNC(=O)c2cc(C#N)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590918357 1283966102 /nfs/dbraw/zinc/96/61/02/1283966102.db2.gz AHZNJUPXIWHBIU-UHFFFAOYSA-N -1 1 366.389 0.651 20 30 FCEDMM CCc1nc(NCCCNC(=O)c2cc(C#N)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590918357 1283966106 /nfs/dbraw/zinc/96/61/06/1283966106.db2.gz AHZNJUPXIWHBIU-UHFFFAOYSA-N -1 1 366.389 0.651 20 30 FCEDMM CCc1nn(CC(=O)NC2(C#N)CCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929501 1283978071 /nfs/dbraw/zinc/97/80/71/1283978071.db2.gz WDBQDCFOGUHSIY-UHFFFAOYSA-N -1 1 356.390 0.111 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590984579 1284040761 /nfs/dbraw/zinc/04/07/61/1284040761.db2.gz WUEWTSJGUAHDFS-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590984579 1284040764 /nfs/dbraw/zinc/04/07/64/1284040764.db2.gz WUEWTSJGUAHDFS-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591055843 1284113369 /nfs/dbraw/zinc/11/33/69/1284113369.db2.gz IPBUXGJYIYNPCM-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056139 1284115197 /nfs/dbraw/zinc/11/51/97/1284115197.db2.gz NQGBZYPQLITIBS-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056139 1284115205 /nfs/dbraw/zinc/11/52/05/1284115205.db2.gz NQGBZYPQLITIBS-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(CCNc1nccnc1-c1nnn[n-]1)C(=O)CC#Cc1ccccc1 ZINC001591107992 1284181344 /nfs/dbraw/zinc/18/13/44/1284181344.db2.gz SQVUDDIUHSAXLR-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM CN(CCNc1nccnc1-c1nn[n-]n1)C(=O)CC#Cc1ccccc1 ZINC001591107992 1284181350 /nfs/dbraw/zinc/18/13/50/1284181350.db2.gz SQVUDDIUHSAXLR-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1nccnc1-c1nnn[n-]1 ZINC001591125183 1284198839 /nfs/dbraw/zinc/19/88/39/1284198839.db2.gz PGFHYCXMXPHANQ-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1nccnc1-c1nn[n-]n1 ZINC001591125183 1284198846 /nfs/dbraw/zinc/19/88/46/1284198846.db2.gz PGFHYCXMXPHANQ-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001591125139 1284198890 /nfs/dbraw/zinc/19/88/90/1284198890.db2.gz MNHVYRPYNFFOCB-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001591125139 1284198898 /nfs/dbraw/zinc/19/88/98/1284198898.db2.gz MNHVYRPYNFFOCB-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001591160257 1284237092 /nfs/dbraw/zinc/23/70/92/1284237092.db2.gz VCVRZYDPPMKTRX-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001591160257 1284237099 /nfs/dbraw/zinc/23/70/99/1284237099.db2.gz VCVRZYDPPMKTRX-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM COC(=O)c1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cn1C ZINC001591287942 1284446048 /nfs/dbraw/zinc/44/60/48/1284446048.db2.gz QTOXVSJTVGLWIG-UHFFFAOYSA-N -1 1 355.358 0.653 20 30 FCEDMM COc1cc(C#N)ccc1OCCn1c(=O)ccc(-c2nn[n-]n2)c1OC ZINC001591509211 1284697699 /nfs/dbraw/zinc/69/76/99/1284697699.db2.gz RYNRBIHYEVDULL-UHFFFAOYSA-N -1 1 368.353 0.996 20 30 FCEDMM CSc1ncc(Cl)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)n1 ZINC001591721299 1284852090 /nfs/dbraw/zinc/85/20/90/1284852090.db2.gz UFNDPXDJRPDOPN-UHFFFAOYSA-N -1 1 362.766 0.879 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001591883015 1284973518 /nfs/dbraw/zinc/97/35/18/1284973518.db2.gz MDPZFPQPBUQIJW-LBPRGKRZSA-N -1 1 356.434 0.956 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)CNC(=O)C#CC(C)(C)C)n1 ZINC001591883015 1284973524 /nfs/dbraw/zinc/97/35/24/1284973524.db2.gz MDPZFPQPBUQIJW-LBPRGKRZSA-N -1 1 356.434 0.956 20 30 FCEDMM Cc1cc(C#N)nc(N(C)CCNc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001591899026 1284989919 /nfs/dbraw/zinc/98/99/19/1284989919.db2.gz XXWPGYBRVONOOR-UHFFFAOYSA-N -1 1 351.378 0.484 20 30 FCEDMM Cc1cc(C#N)nc(N(C)CCNc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001591899026 1284989923 /nfs/dbraw/zinc/98/99/23/1284989923.db2.gz XXWPGYBRVONOOR-UHFFFAOYSA-N -1 1 351.378 0.484 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001591899757 1284992446 /nfs/dbraw/zinc/99/24/46/1284992446.db2.gz WCPWAVSTYQABPC-JTQLQIEISA-N -1 1 359.394 0.012 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)n1 ZINC001591899757 1284992452 /nfs/dbraw/zinc/99/24/52/1284992452.db2.gz WCPWAVSTYQABPC-JTQLQIEISA-N -1 1 359.394 0.012 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 ZINC001591902220 1284994936 /nfs/dbraw/zinc/99/49/36/1284994936.db2.gz MDCJMTKZWXWNDN-LLVKDONJSA-N -1 1 373.446 0.625 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)CSCC#N)C2)n1 ZINC001591902220 1284994951 /nfs/dbraw/zinc/99/49/51/1284994951.db2.gz MDCJMTKZWXWNDN-LLVKDONJSA-N -1 1 373.446 0.625 20 30 FCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCO[C@@](C)(C#N)C1 ZINC001591989552 1285043868 /nfs/dbraw/zinc/04/38/68/1285043868.db2.gz DSMGHFNILFDSOB-AWEZNQCLSA-N -1 1 366.378 0.617 20 30 FCEDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001592068752 1285108092 /nfs/dbraw/zinc/10/80/92/1285108092.db2.gz OXBZIVLWSWSJSM-UHFFFAOYSA-N -1 1 353.302 0.790 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)o1 ZINC001592335617 1285244136 /nfs/dbraw/zinc/24/41/36/1285244136.db2.gz FQMJNQHYWDTVOJ-LBPRGKRZSA-N -1 1 372.389 0.131 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC001592335203 1285245549 /nfs/dbraw/zinc/24/55/49/1285245549.db2.gz OTKFHNLYMSINGJ-KOLCDFICSA-N -1 1 371.405 0.648 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)c1ccc2c(c1)CC(=O)N2C ZINC001592335508 1285245880 /nfs/dbraw/zinc/24/58/80/1285245880.db2.gz RKMSJICACXKUHG-UHFFFAOYSA-N -1 1 362.353 0.645 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C#N ZINC001592399826 1285309825 /nfs/dbraw/zinc/30/98/25/1285309825.db2.gz VTFYUQXOEGTPPC-SECBINFHSA-N -1 1 353.390 0.829 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H](C)C#N ZINC001592399826 1285309837 /nfs/dbraw/zinc/30/98/37/1285309837.db2.gz VTFYUQXOEGTPPC-SECBINFHSA-N -1 1 353.390 0.829 20 30 FCEDMM Cc1nn(C)c(N2CCN(Cc3nc(-c4nnn[n-]4)cs3)CC2)c1C#N ZINC001592442792 1285377974 /nfs/dbraw/zinc/37/79/74/1285377974.db2.gz PICJZDOQKSBPDE-UHFFFAOYSA-N -1 1 370.446 0.559 20 30 FCEDMM Cc1nn(C)c(N2CCN(Cc3nc(-c4nn[n-]n4)cs3)CC2)c1C#N ZINC001592442792 1285377982 /nfs/dbraw/zinc/37/79/82/1285377982.db2.gz PICJZDOQKSBPDE-UHFFFAOYSA-N -1 1 370.446 0.559 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001592500135 1285425970 /nfs/dbraw/zinc/42/59/70/1285425970.db2.gz AUDIBYPTNSZJFD-NTCAYCPXSA-N -1 1 357.330 0.024 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001592500135 1285425974 /nfs/dbraw/zinc/42/59/74/1285425974.db2.gz AUDIBYPTNSZJFD-NTCAYCPXSA-N -1 1 357.330 0.024 20 30 FCEDMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592567638 1285480555 /nfs/dbraw/zinc/48/05/55/1285480555.db2.gz LKNWLVUBOVTKPY-YPMHNXCESA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592567638 1285480563 /nfs/dbraw/zinc/48/05/63/1285480563.db2.gz LKNWLVUBOVTKPY-YPMHNXCESA-N -1 1 366.389 0.354 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001592669886 1285565461 /nfs/dbraw/zinc/56/54/61/1285565461.db2.gz OMUVFMJCAMXVFW-UHFFFAOYSA-N -1 1 366.378 0.604 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001592669886 1285565466 /nfs/dbraw/zinc/56/54/66/1285565466.db2.gz OMUVFMJCAMXVFW-UHFFFAOYSA-N -1 1 366.378 0.604 20 30 FCEDMM N#C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001592673154 1285567626 /nfs/dbraw/zinc/56/76/26/1285567626.db2.gz VFVPUOIOGCZMAZ-VIFPVBQESA-N -1 1 363.359 0.699 20 30 FCEDMM N#CC1(NC(=O)COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001592670687 1285567897 /nfs/dbraw/zinc/56/78/97/1285567897.db2.gz KYBZBERCVNFFRF-UHFFFAOYSA-N -1 1 369.385 0.690 20 30 FCEDMM N#CC1(NC(=O)COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001592670687 1285567904 /nfs/dbraw/zinc/56/79/04/1285567904.db2.gz KYBZBERCVNFFRF-UHFFFAOYSA-N -1 1 369.385 0.690 20 30 FCEDMM N#C[C@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCN1C1CC1 ZINC001592671418 1285568319 /nfs/dbraw/zinc/56/83/19/1285568319.db2.gz GEYPRXHOKXPEBC-NSHDSACASA-N -1 1 359.340 0.957 20 30 FCEDMM N#C[C@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCN1C1CC1 ZINC001592671418 1285568328 /nfs/dbraw/zinc/56/83/28/1285568328.db2.gz GEYPRXHOKXPEBC-NSHDSACASA-N -1 1 359.340 0.957 20 30 FCEDMM N#CCCCS(=O)(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592676253 1285570565 /nfs/dbraw/zinc/57/05/65/1285570565.db2.gz JCRNITXQGDNEHQ-UHFFFAOYSA-N -1 1 367.460 0.684 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592679528 1285576033 /nfs/dbraw/zinc/57/60/33/1285576033.db2.gz SUYZTFRWTZCULV-QWRGUYRKSA-N -1 1 373.446 0.032 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592679269 1285576290 /nfs/dbraw/zinc/57/62/90/1285576290.db2.gz KUOOBPWVSSTMEP-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592679269 1285576294 /nfs/dbraw/zinc/57/62/94/1285576294.db2.gz KUOOBPWVSSTMEP-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679304 1285576699 /nfs/dbraw/zinc/57/66/99/1285576699.db2.gz LZIQIAFRTGHSBI-WDEREUQCSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679304 1285576706 /nfs/dbraw/zinc/57/67/06/1285576706.db2.gz LZIQIAFRTGHSBI-WDEREUQCSA-N -1 1 373.446 0.753 20 30 FCEDMM N#C[C@]12CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681286 1285578097 /nfs/dbraw/zinc/57/80/97/1285578097.db2.gz PDFMHXUMDXRRLK-AMIZOPFISA-N -1 1 365.806 0.290 20 30 FCEDMM N#C[C@]12CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681286 1285578104 /nfs/dbraw/zinc/57/81/04/1285578104.db2.gz PDFMHXUMDXRRLK-AMIZOPFISA-N -1 1 365.806 0.290 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592680645 1285578207 /nfs/dbraw/zinc/57/82/07/1285578207.db2.gz WTIYGVPOHYGYEL-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592680645 1285578209 /nfs/dbraw/zinc/57/82/09/1285578209.db2.gz WTIYGVPOHYGYEL-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592680815 1285579828 /nfs/dbraw/zinc/57/98/28/1285579828.db2.gz ZZYADODSDXWBGN-LLVKDONJSA-N -1 1 373.446 0.128 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cncc(OCC(F)F)c2)nc1-c1nn[nH]n1 ZINC001592682374 1285580282 /nfs/dbraw/zinc/58/02/82/1285580282.db2.gz XYDBGJPSCZVPAT-UHFFFAOYSA-N -1 1 361.272 0.753 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001592691077 1285585354 /nfs/dbraw/zinc/58/53/54/1285585354.db2.gz FGDXTIATCAIWQJ-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1cccc(CNC(=O)COC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592702389 1285591061 /nfs/dbraw/zinc/59/10/61/1285591061.db2.gz VSQXIJCQMJZPRF-UHFFFAOYSA-N -1 1 363.337 0.607 20 30 FCEDMM N#Cc1cccc(CNC(=O)COC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592702389 1285591069 /nfs/dbraw/zinc/59/10/69/1285591069.db2.gz VSQXIJCQMJZPRF-UHFFFAOYSA-N 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O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001592766144 1285688288 /nfs/dbraw/zinc/68/82/88/1285688288.db2.gz DPKKLQVYQGVKSO-UONOGXRCSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001592766144 1285688294 /nfs/dbraw/zinc/68/82/94/1285688294.db2.gz DPKKLQVYQGVKSO-UONOGXRCSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592766889 1285689302 /nfs/dbraw/zinc/68/93/02/1285689302.db2.gz VFVXJMIMYNPRHC-CQSZACIVSA-N -1 1 366.429 0.675 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592768078 1285690966 /nfs/dbraw/zinc/69/09/66/1285690966.db2.gz ZKDYVBAAUOYFOQ-UGSOOPFHSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592768489 1285693149 /nfs/dbraw/zinc/69/31/49/1285693149.db2.gz LUNGXXFWTAVHSW-AWEZNQCLSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592768489 1285693157 /nfs/dbraw/zinc/69/31/57/1285693157.db2.gz LUNGXXFWTAVHSW-AWEZNQCLSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592769350 1285694977 /nfs/dbraw/zinc/69/49/77/1285694977.db2.gz UFQXNURBPOIZDM-STQMWFEESA-N -1 1 352.402 0.331 20 30 FCEDMM COC(=O)c1sccc1NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001609307207 1289079112 /nfs/dbraw/zinc/07/91/12/1289079112.db2.gz SDARBHVCYCZBRZ-UHFFFAOYSA-N -1 1 358.343 0.422 20 30 FCEDMM N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](C(=O)[O-])C2CC2)CC1 ZINC001601048025 1286621260 /nfs/dbraw/zinc/62/12/60/1286621260.db2.gz AIQXSTHDXCXJKR-BBRMVZONSA-N -1 1 362.455 0.910 20 30 FCEDMM N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@]1(CC(=O)[O-])CCOC1 ZINC001601131795 1286643189 /nfs/dbraw/zinc/64/31/89/1286643189.db2.gz RKMXBQVMEGWOOQ-SFHVURJKSA-N -1 1 369.381 0.906 20 30 FCEDMM C#CC[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(=O)OC ZINC001602696779 1287059913 /nfs/dbraw/zinc/05/99/13/1287059913.db2.gz 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C#CCOCCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001602726124 1287085996 /nfs/dbraw/zinc/08/59/96/1287085996.db2.gz CHFXSYZIGZFCHT-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602726124 1287086010 /nfs/dbraw/zinc/08/60/10/1287086010.db2.gz CHFXSYZIGZFCHT-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001602726316 1287087018 /nfs/dbraw/zinc/08/70/18/1287087018.db2.gz DMUPTIOYHGFQDJ-SRVKXCTJSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001602726316 1287087026 /nfs/dbraw/zinc/08/70/26/1287087026.db2.gz DMUPTIOYHGFQDJ-SRVKXCTJSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001602726141 1287087577 /nfs/dbraw/zinc/08/75/77/1287087577.db2.gz CHFXSYZIGZFCHT-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602726141 1287087589 /nfs/dbraw/zinc/08/75/89/1287087589.db2.gz CHFXSYZIGZFCHT-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001602726361 1287089400 /nfs/dbraw/zinc/08/94/00/1287089400.db2.gz QSZBDFDFBIOWHM-MWLCHTKSSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602726346 1287090029 /nfs/dbraw/zinc/09/00/29/1287090029.db2.gz DZRIJRSBTCNGJJ-AVGNSLFASA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602726346 1287090037 /nfs/dbraw/zinc/09/00/37/1287090037.db2.gz DZRIJRSBTCNGJJ-AVGNSLFASA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602727065 1287091382 /nfs/dbraw/zinc/09/13/82/1287091382.db2.gz KLDHFJSBIIDRIB-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001602727164 1287092844 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TYSCXZQYNXKBAY-MNOVXSKESA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001602727442 1287094633 /nfs/dbraw/zinc/09/46/33/1287094633.db2.gz XURIPUGHPPUGOC-GFCCVEGCSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001602727442 1287094641 /nfs/dbraw/zinc/09/46/41/1287094641.db2.gz XURIPUGHPPUGOC-GFCCVEGCSA-N -1 1 370.417 0.088 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001602735857 1287098835 /nfs/dbraw/zinc/09/88/35/1287098835.db2.gz ULGIVLRKQMHRHW-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001602735857 1287098842 /nfs/dbraw/zinc/09/88/42/1287098842.db2.gz ULGIVLRKQMHRHW-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001602736638 1287100025 /nfs/dbraw/zinc/10/00/25/1287100025.db2.gz CEFYCUQJVKCLLK-HNNXBMFYSA-N -1 1 374.408 0.955 20 30 FCEDMM 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/nfs/dbraw/zinc/19/80/20/1287198020.db2.gz UQEASOLTWKNOGI-BETUJISGSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)(C)C#CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001603051698 1287198023 /nfs/dbraw/zinc/19/80/23/1287198023.db2.gz UQEASOLTWKNOGI-BETUJISGSA-N -1 1 366.429 0.601 20 30 FCEDMM Cc1cc(C#N)cnc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001609393329 1289135933 /nfs/dbraw/zinc/13/59/33/1289135933.db2.gz OFJZTQLFMHGERX-UHFFFAOYSA-N -1 1 366.389 0.452 20 30 FCEDMM Cc1cc(C#N)cnc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001609393329 1289135935 /nfs/dbraw/zinc/13/59/35/1289135935.db2.gz OFJZTQLFMHGERX-UHFFFAOYSA-N -1 1 366.389 0.452 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@@H](C#N)C1 ZINC001605457433 1287968135 /nfs/dbraw/zinc/96/81/35/1287968135.db2.gz NVMQKEKFPIKVQI-NSHDSACASA-N -1 1 357.374 0.268 20 30 FCEDMM Cc1nc(CC2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)no1 ZINC001606040458 1288142736 /nfs/dbraw/zinc/14/27/36/1288142736.db2.gz MKLBAFNAMCKERQ-UHFFFAOYSA-N -1 1 352.362 0.679 20 30 FCEDMM Cc1nc(CC2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)no1 ZINC001606040458 1288142740 /nfs/dbraw/zinc/14/27/40/1288142740.db2.gz MKLBAFNAMCKERQ-UHFFFAOYSA-N -1 1 352.362 0.679 20 30 FCEDMM Cc1nc2sccn2c(=O)c1CCn1cnc(-c2nn[n-]n2)c1C#N ZINC001609455450 1289159428 /nfs/dbraw/zinc/15/94/28/1289159428.db2.gz XOVIJHMQCABTDI-UHFFFAOYSA-N -1 1 353.371 0.555 20 30 FCEDMM Cc1nn(CCC(=O)Nc2cccc(C#N)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC001606114301 1288169696 /nfs/dbraw/zinc/16/96/96/1288169696.db2.gz ISOLPELOCKVZHW-UHFFFAOYSA-N -1 1 364.369 0.941 20 30 FCEDMM Cc1nsc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001606144842 1288184031 /nfs/dbraw/zinc/18/40/31/1288184031.db2.gz YHRMBLFDLRTJMA-NWDGAFQWSA-N -1 1 373.442 0.101 20 30 FCEDMM Cc1nnc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C#N)c1C ZINC001609461279 1289163127 /nfs/dbraw/zinc/16/31/27/1289163127.db2.gz VHHHWJHOZMOVAP-UHFFFAOYSA-N -1 1 353.394 0.520 20 30 FCEDMM Cc1nnc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C#N)c1C ZINC001609461279 1289163132 /nfs/dbraw/zinc/16/31/32/1289163132.db2.gz VHHHWJHOZMOVAP-UHFFFAOYSA-N -1 1 353.394 0.520 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606350936 1288266826 /nfs/dbraw/zinc/26/68/26/1288266826.db2.gz HKXZQNNBFJMYDY-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606350936 1288266827 /nfs/dbraw/zinc/26/68/27/1288266827.db2.gz HKXZQNNBFJMYDY-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001606351488 1288267690 /nfs/dbraw/zinc/26/76/90/1288267690.db2.gz TXNRMIXPEZPFHY-UHFFFAOYSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001606351488 1288267695 /nfs/dbraw/zinc/26/76/95/1288267695.db2.gz TXNRMIXPEZPFHY-UHFFFAOYSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606351162 1288268190 /nfs/dbraw/zinc/26/81/90/1288268190.db2.gz PDCGLPLHJROQBU-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606351162 1288268196 /nfs/dbraw/zinc/26/81/96/1288268196.db2.gz PDCGLPLHJROQBU-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC001606355415 1288270766 /nfs/dbraw/zinc/27/07/66/1288270766.db2.gz AOXMOZULZZUPPP-MNOVXSKESA-N -1 1 355.406 0.698 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC001606355415 1288270770 /nfs/dbraw/zinc/27/07/70/1288270770.db2.gz AOXMOZULZZUPPP-MNOVXSKESA-N -1 1 355.406 0.698 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)c[nH]1 ZINC001606360275 1288273217 /nfs/dbraw/zinc/27/32/17/1288273217.db2.gz RJUBVYUIACEGJA-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)c[nH]1 ZINC001606360275 1288273223 /nfs/dbraw/zinc/27/32/23/1288273223.db2.gz RJUBVYUIACEGJA-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ncc(NCc2cnn(CC(F)(F)F)c2)nc1-c1nn[n-]n1 ZINC001606398121 1288286819 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NTZCBRRVGLPZHS-UNXYVOJBSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573561836 946966140 /nfs/dbraw/zinc/96/61/40/946966140.db2.gz NTZCBRRVGLPZHS-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573561836 946966148 /nfs/dbraw/zinc/96/61/48/946966148.db2.gz NTZCBRRVGLPZHS-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C=C(C)c1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001573294434 946987292 /nfs/dbraw/zinc/98/72/92/946987292.db2.gz FOIIKVAAGJCLTF-UHFFFAOYSA-N -1 1 353.342 0.801 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573294793 946999588 /nfs/dbraw/zinc/99/95/88/946999588.db2.gz KWTNULFPHMMJTR-SUNKGSAMSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573294793 946999596 /nfs/dbraw/zinc/99/95/96/946999596.db2.gz KWTNULFPHMMJTR-SUNKGSAMSA-N -1 1 358.406 0.555 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573565263 947004836 /nfs/dbraw/zinc/00/48/36/947004836.db2.gz PPONEGPQSXQNRG-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573565263 947004849 /nfs/dbraw/zinc/00/48/49/947004849.db2.gz PPONEGPQSXQNRG-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573565457 947007797 /nfs/dbraw/zinc/00/77/97/947007797.db2.gz RALAJEKOVXRJQY-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565457 947007811 /nfs/dbraw/zinc/00/78/11/947007811.db2.gz RALAJEKOVXRJQY-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573565712 947014419 /nfs/dbraw/zinc/01/44/19/947014419.db2.gz UWBIBUIQJGFNKR-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573565712 947014432 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ZINC001573576587 947153693 /nfs/dbraw/zinc/15/36/93/947153693.db2.gz HVSDZGWIQIIORG-BZNIZROVSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573576587 947153703 /nfs/dbraw/zinc/15/37/03/947153703.db2.gz HVSDZGWIQIIORG-BZNIZROVSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573305879 947162850 /nfs/dbraw/zinc/16/28/50/947162850.db2.gz GYUOWXZUVASTFS-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573305879 947162853 /nfs/dbraw/zinc/16/28/53/947162853.db2.gz GYUOWXZUVASTFS-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573577457 947168097 /nfs/dbraw/zinc/16/80/97/947168097.db2.gz PSIVZFFOSSUHNG-RQJHMYQMSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573582438 947190709 /nfs/dbraw/zinc/19/07/09/947190709.db2.gz DNDLTCVJSZGQMK-QWRGUYRKSA-N -1 1 361.431 0.405 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573309324 947196723 /nfs/dbraw/zinc/19/67/23/947196723.db2.gz GUJLOQOSRZRQBK-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573309324 947196729 /nfs/dbraw/zinc/19/67/29/947196729.db2.gz GUJLOQOSRZRQBK-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573310204 947217944 /nfs/dbraw/zinc/21/79/44/947217944.db2.gz UWPVLPWFWLBAKV-ZBEGNZNMSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573310204 947217954 /nfs/dbraw/zinc/21/79/54/947217954.db2.gz UWPVLPWFWLBAKV-ZBEGNZNMSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001573310196 947218680 /nfs/dbraw/zinc/21/86/80/947218680.db2.gz UTBZWYHPWNDZFB-MRXNPFEDSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001573310196 947218686 /nfs/dbraw/zinc/21/86/86/947218686.db2.gz UTBZWYHPWNDZFB-MRXNPFEDSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001573310195 947219080 /nfs/dbraw/zinc/21/90/80/947219080.db2.gz UTBZWYHPWNDZFB-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001573310195 947219093 /nfs/dbraw/zinc/21/90/93/947219093.db2.gz UTBZWYHPWNDZFB-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573314742 947238771 /nfs/dbraw/zinc/23/87/71/947238771.db2.gz FXWGDGSRWUIMKJ-PVTKRXDGSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573314742 947238782 /nfs/dbraw/zinc/23/87/82/947238782.db2.gz FXWGDGSRWUIMKJ-PVTKRXDGSA-N -1 1 354.418 0.810 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573585538 947260832 /nfs/dbraw/zinc/26/08/32/947260832.db2.gz RSWKPJUVFIXIIN-XWCIJXRUSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573585538 947260845 /nfs/dbraw/zinc/26/08/45/947260845.db2.gz RSWKPJUVFIXIIN-XWCIJXRUSA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](NC(=O)[C@@H](C)C#N)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573585760 947269195 /nfs/dbraw/zinc/26/91/95/947269195.db2.gz VUZSXKNXDOCBHJ-WDEREUQCSA-N -1 1 355.406 0.537 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573335549 947483056 /nfs/dbraw/zinc/48/30/56/947483056.db2.gz AGCAXJLNQRIRDP-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573335549 947483067 /nfs/dbraw/zinc/48/30/67/947483067.db2.gz AGCAXJLNQRIRDP-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335629 947485460 /nfs/dbraw/zinc/48/54/60/947485460.db2.gz BYYZEQQQKNJGQX-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335629 947485468 /nfs/dbraw/zinc/48/54/68/947485468.db2.gz BYYZEQQQKNJGQX-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573342268 947539525 /nfs/dbraw/zinc/53/95/25/947539525.db2.gz WARNNGKULBMAFC-UHFFFAOYSA-N -1 1 368.375 0.646 20 30 FCEDMM C=CCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573342268 947539535 /nfs/dbraw/zinc/53/95/35/947539535.db2.gz WARNNGKULBMAFC-UHFFFAOYSA-N -1 1 368.375 0.646 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573342812 947548371 /nfs/dbraw/zinc/54/83/71/947548371.db2.gz DZOFDFCPDGYLOP-LLVKDONJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573343085 947552509 /nfs/dbraw/zinc/55/25/09/947552509.db2.gz JEBOOEUNXPFWAC-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573343085 947552516 /nfs/dbraw/zinc/55/25/16/947552516.db2.gz JEBOOEUNXPFWAC-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573343083 947553418 /nfs/dbraw/zinc/55/34/18/947553418.db2.gz JEBOOEUNXPFWAC-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573343083 947553427 /nfs/dbraw/zinc/55/34/27/947553427.db2.gz JEBOOEUNXPFWAC-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573350662 947601166 /nfs/dbraw/zinc/60/11/66/947601166.db2.gz IITXDFQRHOICHW-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573350662 947601176 /nfs/dbraw/zinc/60/11/76/947601176.db2.gz IITXDFQRHOICHW-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM COc1ccc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826209451 947609846 /nfs/dbraw/zinc/60/98/46/947609846.db2.gz CIGZDLDSWLQZQF-UHFFFAOYSA-N -1 1 369.301 0.490 20 30 FCEDMM COc1ccc(OC)c(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC000826210802 947616215 /nfs/dbraw/zinc/61/62/15/947616215.db2.gz FTZRGKFVBWXPCL-UHFFFAOYSA-N -1 1 354.330 0.591 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573351816 947621262 /nfs/dbraw/zinc/62/12/62/947621262.db2.gz VJTDYIMOMIZVPP-WZRBSPASSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573351816 947621268 /nfs/dbraw/zinc/62/12/68/947621268.db2.gz VJTDYIMOMIZVPP-WZRBSPASSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573351815 947622047 /nfs/dbraw/zinc/62/20/47/947622047.db2.gz VJTDYIMOMIZVPP-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573351815 947622053 /nfs/dbraw/zinc/62/20/53/947622053.db2.gz VJTDYIMOMIZVPP-LOWVWBTDSA-N -1 1 358.406 0.189 20 30 FCEDMM C[C@H](C(=O)N1CCCc2nc(C#N)ccc21)n1cnc(-c2nn[n-]n2)n1 ZINC001573637996 947830438 /nfs/dbraw/zinc/83/04/38/947830438.db2.gz AJDHKKKWOWVDKO-SECBINFHSA-N -1 1 350.346 0.265 20 30 FCEDMM Cc1ccc(NC(=O)NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c(C)c1 ZINC000826290905 947846155 /nfs/dbraw/zinc/84/61/55/947846155.db2.gz GLJVDIXPYISRDL-UHFFFAOYSA-N -1 1 365.357 0.900 20 30 FCEDMM Cc1ccc(NC(=O)NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1C ZINC000826290900 947847428 /nfs/dbraw/zinc/84/74/28/947847428.db2.gz GCHMCYMBDOJRQS-UHFFFAOYSA-N -1 1 365.357 0.900 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000826383338 948183094 /nfs/dbraw/zinc/18/30/94/948183094.db2.gz VYRYGQXMYHZTFD-UHFFFAOYSA-N -1 1 372.776 0.783 20 30 FCEDMM C[C@@H](C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)n1cnc(C#N)n1 ZINC001573730033 948576230 /nfs/dbraw/zinc/57/62/30/948576230.db2.gz KNZFJWIIOXHNRU-ZETCQYMHSA-N -1 1 359.300 0.485 20 30 FCEDMM C[C@@H](C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)n1cnc(C#N)n1 ZINC001573730033 948576237 /nfs/dbraw/zinc/57/62/37/948576237.db2.gz KNZFJWIIOXHNRU-ZETCQYMHSA-N -1 1 359.300 0.485 20 30 FCEDMM C[C@@H](C(=O)Nc1nc(Cl)c(C#N)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756298 948805937 /nfs/dbraw/zinc/80/59/37/948805937.db2.gz YSKOEMQKEYDGNO-BYPYZUCNSA-N -1 1 350.755 0.639 20 30 FCEDMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574681373 948818031 /nfs/dbraw/zinc/81/80/31/948818031.db2.gz MHPWVNZZDHGCEY-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574681373 948818049 /nfs/dbraw/zinc/81/80/49/948818049.db2.gz MHPWVNZZDHGCEY-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC(C)CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001574107406 949284725 /nfs/dbraw/zinc/28/47/25/949284725.db2.gz JBAVFQTVTBSOAQ-UHFFFAOYSA-N -1 1 355.406 0.977 20 30 FCEDMM CC(C)CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001574107406 949284743 /nfs/dbraw/zinc/28/47/43/949284743.db2.gz JBAVFQTVTBSOAQ-UHFFFAOYSA-N -1 1 355.406 0.977 20 30 FCEDMM C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574738545 950170736 /nfs/dbraw/zinc/17/07/36/950170736.db2.gz GLDYAYSHFOUOHN-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574738545 950170727 /nfs/dbraw/zinc/17/07/27/950170727.db2.gz GLDYAYSHFOUOHN-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573852120 950300926 /nfs/dbraw/zinc/30/09/26/950300926.db2.gz DTUVMGHGTAAEJC-WDEREUQCSA-N -1 1 373.373 0.949 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573852120 950300948 /nfs/dbraw/zinc/30/09/48/950300948.db2.gz DTUVMGHGTAAEJC-WDEREUQCSA-N -1 1 373.373 0.949 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001570971345 950321782 /nfs/dbraw/zinc/32/17/82/950321782.db2.gz MRJIZKSEMOCBEY-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001570971345 950321802 /nfs/dbraw/zinc/32/18/02/950321802.db2.gz MRJIZKSEMOCBEY-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001573857126 950403664 /nfs/dbraw/zinc/40/36/64/950403664.db2.gz ORKNZCNSDRXDPJ-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)nc1-c1nn[nH]n1 ZINC001570977193 950496042 /nfs/dbraw/zinc/49/60/42/950496042.db2.gz LLSIGTJEYIDQHZ-IYSWYEEDSA-N -1 1 356.268 0.900 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575915656 950519552 /nfs/dbraw/zinc/51/95/52/950519552.db2.gz NRLFLSXFJDOZEE-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575915656 950519571 /nfs/dbraw/zinc/51/95/71/950519571.db2.gz NRLFLSXFJDOZEE-CABZTGNLSA-N -1 1 364.373 0.572 20 30 FCEDMM CCN(CC)C(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001570980695 950549584 /nfs/dbraw/zinc/54/95/84/950549584.db2.gz OVADOVWJMAKOHN-UHFFFAOYSA-N -1 1 356.394 0.112 20 30 FCEDMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575919852 950622390 /nfs/dbraw/zinc/62/23/90/950622390.db2.gz KPLSHFMLLNGMIQ-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575919852 950622408 /nfs/dbraw/zinc/62/24/08/950622408.db2.gz KPLSHFMLLNGMIQ-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214865 950681441 /nfs/dbraw/zinc/68/14/41/950681441.db2.gz CZANUDRBXZKRNG-QWHCGFSZSA-N -1 1 368.445 0.777 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575017444 950994892 /nfs/dbraw/zinc/99/48/92/950994892.db2.gz GIRDWLXVSAPAPP-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575017444 950994906 /nfs/dbraw/zinc/99/49/06/950994906.db2.gz GIRDWLXVSAPAPP-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575019191 951034583 /nfs/dbraw/zinc/03/45/83/951034583.db2.gz RZYRNNYFSVTHNP-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571009199 951207782 /nfs/dbraw/zinc/20/77/82/951207782.db2.gz JAJONYVYFKNYFF-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571009199 951207795 /nfs/dbraw/zinc/20/77/95/951207795.db2.gz JAJONYVYFKNYFF-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccsc3)CC2)cnc1-c1nnn[n-]1 ZINC001571030909 951520789 /nfs/dbraw/zinc/52/07/89/951520789.db2.gz BPUKVZSFOQOUKP-UHFFFAOYSA-N -1 1 367.398 0.552 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccsc3)CC2)cnc1-c1nn[n-]n1 ZINC001571030909 951520792 /nfs/dbraw/zinc/52/07/92/951520792.db2.gz 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Cc1nsc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)c1-c1nn[n-]n1 ZINC001581714099 1280409998 /nfs/dbraw/zinc/40/99/98/1280409998.db2.gz GKAYKNSULKTSGN-PSASIEDQSA-N -1 1 362.419 0.431 20 30 FCEDMM Cn1ncc(Br)c1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581824838 1280570410 /nfs/dbraw/zinc/57/04/10/1280570410.db2.gz LRZUJDBHVBNBJR-UHFFFAOYSA-N -1 1 361.167 0.636 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001581837905 1280591651 /nfs/dbraw/zinc/59/16/51/1280591651.db2.gz DXYODIGKSFYYIM-CABZTGNLSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001581837905 1280591658 /nfs/dbraw/zinc/59/16/58/1280591658.db2.gz DXYODIGKSFYYIM-CABZTGNLSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001581858327 1280608027 /nfs/dbraw/zinc/60/80/27/1280608027.db2.gz AQGXTEUNIGNCAE-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001581858327 1280608036 /nfs/dbraw/zinc/60/80/36/1280608036.db2.gz AQGXTEUNIGNCAE-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)nc1-c1nn[nH]n1 ZINC001581860018 1280610634 /nfs/dbraw/zinc/61/06/34/1280610634.db2.gz HDPYNLMHAROETF-WPRPVWTQSA-N -1 1 374.361 0.101 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c[nH]1 ZINC001581865190 1280619386 /nfs/dbraw/zinc/61/93/86/1280619386.db2.gz FGTPTZHINJIVFK-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581865190 1280619394 /nfs/dbraw/zinc/61/93/94/1280619394.db2.gz FGTPTZHINJIVFK-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)c[nH]1 ZINC001581865828 1280620815 /nfs/dbraw/zinc/62/08/15/1280620815.db2.gz PHOATGIVOMCAOJ-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581865828 1280620822 /nfs/dbraw/zinc/62/08/22/1280620822.db2.gz PHOATGIVOMCAOJ-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)c[nH]1 ZINC001581865827 1280620921 /nfs/dbraw/zinc/62/09/21/1280620921.db2.gz PHOATGIVOMCAOJ-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)c[nH]1 ZINC001581865827 1280620927 /nfs/dbraw/zinc/62/09/27/1280620927.db2.gz PHOATGIVOMCAOJ-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581868990 1280625255 /nfs/dbraw/zinc/62/52/55/1280625255.db2.gz CZLVUYYGOBHXDG-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581868990 1280625265 /nfs/dbraw/zinc/62/52/65/1280625265.db2.gz CZLVUYYGOBHXDG-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(F)cc1N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001581871323 1280627314 /nfs/dbraw/zinc/62/73/14/1280627314.db2.gz PUHDCBVZYYZUKH-UHFFFAOYSA-N -1 1 354.305 0.201 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001581874535 1280629534 /nfs/dbraw/zinc/62/95/34/1280629534.db2.gz VSCLKKLRUIJTAO-CYBMUJFWSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001581874535 1280629547 /nfs/dbraw/zinc/62/95/47/1280629547.db2.gz VSCLKKLRUIJTAO-CYBMUJFWSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1cccc([C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)c1 ZINC001581875136 1280630226 /nfs/dbraw/zinc/63/02/26/1280630226.db2.gz WZNGLRNZFLYFNA-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1nc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cnc1-c1nnn[n-]1 ZINC001581879208 1280636712 /nfs/dbraw/zinc/63/67/12/1280636712.db2.gz AYGXGYPOABHMNJ-WDEREUQCSA-N -1 1 361.369 0.314 20 30 FCEDMM N#Cc1nc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cnc1-c1nn[n-]n1 ZINC001581879208 1280636721 /nfs/dbraw/zinc/63/67/21/1280636721.db2.gz AYGXGYPOABHMNJ-WDEREUQCSA-N -1 1 361.369 0.314 20 30 FCEDMM N#Cc1nc(N2CCO[C@@H](COc3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001581879683 1280637595 /nfs/dbraw/zinc/63/75/95/1280637595.db2.gz UEWKIXGHYUVGPW-CYBMUJFWSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1nc(N2CCO[C@@H](COc3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001581879683 1280637604 /nfs/dbraw/zinc/63/76/04/1280637604.db2.gz UEWKIXGHYUVGPW-CYBMUJFWSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1nc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880205 1280637759 /nfs/dbraw/zinc/63/77/59/1280637759.db2.gz CSLVBPYYCQTYSW-VIFPVBQESA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1nc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880205 1280637764 /nfs/dbraw/zinc/63/77/64/1280637764.db2.gz CSLVBPYYCQTYSW-VIFPVBQESA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1nc(N2CCS(=O)(=O)C3(CCCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581879432 1280638548 /nfs/dbraw/zinc/63/85/48/1280638548.db2.gz LFBJAMLMYHCQMV-UHFFFAOYSA-N -1 1 374.430 0.466 20 30 FCEDMM N#Cc1nc(N2CCS(=O)(=O)C3(CCCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581879432 1280638558 /nfs/dbraw/zinc/63/85/58/1280638558.db2.gz LFBJAMLMYHCQMV-UHFFFAOYSA-N -1 1 374.430 0.466 20 30 FCEDMM N#Cc1nc(NCc2ccc(N3CCNC3=O)cc2)cnc1-c1nnn[n-]1 ZINC001581881385 1280640803 /nfs/dbraw/zinc/64/08/03/1280640803.db2.gz ZKODJGLWUHKOBW-UHFFFAOYSA-N -1 1 362.357 0.670 20 30 FCEDMM N#Cc1nc(NCc2ccc(N3CCNC3=O)cc2)cnc1-c1nn[n-]n1 ZINC001581881385 1280640806 /nfs/dbraw/zinc/64/08/06/1280640806.db2.gz ZKODJGLWUHKOBW-UHFFFAOYSA-N -1 1 362.357 0.670 20 30 FCEDMM N#Cc1ncc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)nc1-c1nn[n-]n1 ZINC001581881859 1280640938 /nfs/dbraw/zinc/64/09/38/1280640938.db2.gz CQYUUYARQXCPRF-PXAZEXFGSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1ncc(N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nc1-c1nn[n-]n1 ZINC001581882906 1280643964 /nfs/dbraw/zinc/64/39/64/1280643964.db2.gz LHGHGHKCDHAGDZ-JTQLQIEISA-N -1 1 369.776 0.690 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)nc1-c1nn[n-]n1 ZINC001581883397 1280646893 /nfs/dbraw/zinc/64/68/93/1280646893.db2.gz YKLSFYWUYMWMFI-CMPLNLGQSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1ncc(NCC[C@@H](O)COCc2ccccc2)nc1-c1nn[n-]n1 ZINC001581883977 1280651311 /nfs/dbraw/zinc/65/13/11/1280651311.db2.gz FQWKKSMUNROWNL-CYBMUJFWSA-N -1 1 366.385 0.908 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCOCC1 ZINC001588328629 1282421596 /nfs/dbraw/zinc/42/15/96/1282421596.db2.gz MGTRWINVSDWTSV-GFCCVEGCSA-N -1 1 365.390 0.713 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCOCC1 ZINC001588328629 1282421599 /nfs/dbraw/zinc/42/15/99/1282421599.db2.gz MGTRWINVSDWTSV-GFCCVEGCSA-N -1 1 365.390 0.713 20 30 FCEDMM C#CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1 ZINC001588333217 1282425030 /nfs/dbraw/zinc/42/50/30/1282425030.db2.gz HAUAVVJISNTGRF-UHFFFAOYSA-N -1 1 362.371 0.999 20 30 FCEDMM C#CCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC001588335743 1282427919 /nfs/dbraw/zinc/42/79/19/1282427919.db2.gz WEEUSWCMYNOLBC-UHFFFAOYSA-N -1 1 374.426 0.680 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001588337790 1282430829 /nfs/dbraw/zinc/43/08/29/1282430829.db2.gz CEGIXDHATRUGLE-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001588337790 1282430832 /nfs/dbraw/zinc/43/08/32/1282430832.db2.gz CEGIXDHATRUGLE-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338466 1282430973 /nfs/dbraw/zinc/43/09/73/1282430973.db2.gz LOEUVGALCXGDHT-OLZOCXBDSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338318 1282431041 /nfs/dbraw/zinc/43/10/41/1282431041.db2.gz JOJWBOVCTYJQBK-QWHCGFSZSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338316 1282431124 /nfs/dbraw/zinc/43/11/24/1282431124.db2.gz JOJWBOVCTYJQBK-OLZOCXBDSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588338320 1282431364 /nfs/dbraw/zinc/43/13/64/1282431364.db2.gz BXRFKMCWQGVUOC-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588338320 1282431373 /nfs/dbraw/zinc/43/13/73/1282431373.db2.gz BXRFKMCWQGVUOC-GXTWGEPZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338903 1282432152 /nfs/dbraw/zinc/43/21/52/1282432152.db2.gz IYBYFVPFOJSCHK-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338906 1282433360 /nfs/dbraw/zinc/43/33/60/1282433360.db2.gz IYBYFVPFOJSCHK-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588339537 1282434299 /nfs/dbraw/zinc/43/42/99/1282434299.db2.gz OEUOAKLDCZANSA-STQMWFEESA-N -1 1 352.402 0.558 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588339537 1282434305 /nfs/dbraw/zinc/43/43/05/1282434305.db2.gz OEUOAKLDCZANSA-STQMWFEESA-N -1 1 352.402 0.558 20 30 FCEDMM C#CCCCC(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588340062 1282435037 /nfs/dbraw/zinc/43/50/37/1282435037.db2.gz DDYMYIRRKLBMCE-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588340062 1282435038 /nfs/dbraw/zinc/43/50/38/1282435038.db2.gz DDYMYIRRKLBMCE-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588341354 1282436304 /nfs/dbraw/zinc/43/63/04/1282436304.db2.gz FHVHWHIZWMADQH-UHFFFAOYSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCCCCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588342414 1282439036 /nfs/dbraw/zinc/43/90/36/1282439036.db2.gz YLFVVLZNHWHQEX-ZDUSSCGKSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCCCCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344671 1282439890 /nfs/dbraw/zinc/43/98/90/1282439890.db2.gz ZKLXEUIQFKPGLT-UONOGXRCSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344401 1282440201 /nfs/dbraw/zinc/44/02/01/1282440201.db2.gz OMYBFYSJUAJCPW-CQSZACIVSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCN(C(=O)C(C)C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588347504 1282442935 /nfs/dbraw/zinc/44/29/35/1282442935.db2.gz QXMTUMPNNHIWLG-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C#CCNC(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588353231 1282449092 /nfs/dbraw/zinc/44/90/92/1282449092.db2.gz LGOQWSLQIXTRLV-NSHDSACASA-N -1 1 372.385 0.198 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588354821 1282449639 /nfs/dbraw/zinc/44/96/39/1282449639.db2.gz AELGDJGWHDYSEG-FRRDWIJNSA-N -1 1 370.417 0.201 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588354821 1282449645 /nfs/dbraw/zinc/44/96/45/1282449645.db2.gz AELGDJGWHDYSEG-FRRDWIJNSA-N -1 1 370.417 0.201 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355636 1282454847 /nfs/dbraw/zinc/45/48/47/1282454847.db2.gz KUNKAACBEACXNN-CHWSQXEVSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355636 1282454853 /nfs/dbraw/zinc/45/48/53/1282454853.db2.gz KUNKAACBEACXNN-CHWSQXEVSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588356536 1282461216 /nfs/dbraw/zinc/46/12/16/1282461216.db2.gz DAQALVUVIXGRKE-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588356969 1282462279 /nfs/dbraw/zinc/46/22/79/1282462279.db2.gz IIOVMFWWYOLTCH-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588356969 1282462284 /nfs/dbraw/zinc/46/22/84/1282462284.db2.gz IIOVMFWWYOLTCH-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588357315 1282465323 /nfs/dbraw/zinc/46/53/23/1282465323.db2.gz LCMQJOLOZLVWMM-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358056 1282469178 /nfs/dbraw/zinc/46/91/78/1282469178.db2.gz OTQBKJVTBHVBMV-SJKOYZFVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358056 1282469183 /nfs/dbraw/zinc/46/91/83/1282469183.db2.gz OTQBKJVTBHVBMV-SJKOYZFVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588358714 1282470061 /nfs/dbraw/zinc/47/00/61/1282470061.db2.gz ZWXNKXOLIYIGMQ-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588358714 1282470067 /nfs/dbraw/zinc/47/00/67/1282470067.db2.gz ZWXNKXOLIYIGMQ-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588359233 1282472387 /nfs/dbraw/zinc/47/23/87/1282472387.db2.gz JBHSAGJPTLFPOV-UHFFFAOYSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588359233 1282472390 /nfs/dbraw/zinc/47/23/90/1282472390.db2.gz JBHSAGJPTLFPOV-UHFFFAOYSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588359074 1282473316 /nfs/dbraw/zinc/47/33/16/1282473316.db2.gz GWDUHQXPAODRRY-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588359074 1282473320 /nfs/dbraw/zinc/47/33/20/1282473320.db2.gz GWDUHQXPAODRRY-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588360041 1282476059 /nfs/dbraw/zinc/47/60/59/1282476059.db2.gz GNKLGXWDIPQNNZ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588360041 1282476064 /nfs/dbraw/zinc/47/60/64/1282476064.db2.gz GNKLGXWDIPQNNZ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588360295 1282479217 /nfs/dbraw/zinc/47/92/17/1282479217.db2.gz NGEOVMHBDLSSQO-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588360295 1282479220 /nfs/dbraw/zinc/47/92/20/1282479220.db2.gz NGEOVMHBDLSSQO-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)NC/C=C\CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588361015 1282480692 /nfs/dbraw/zinc/48/06/92/1282480692.db2.gz BFEXRXZEAITOQF-PLNGDYQASA-N -1 1 356.390 0.089 20 30 FCEDMM C#CCOCCC(=O)NC/C=C\CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588361015 1282480698 /nfs/dbraw/zinc/48/06/98/1282480698.db2.gz BFEXRXZEAITOQF-PLNGDYQASA-N -1 1 356.390 0.089 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361131 1282482324 /nfs/dbraw/zinc/48/23/24/1282482324.db2.gz FBOIMXXZTUEPTL-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361131 1282482329 /nfs/dbraw/zinc/48/23/29/1282482329.db2.gz FBOIMXXZTUEPTL-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588361515 1282484095 /nfs/dbraw/zinc/48/40/95/1282484095.db2.gz OVHRZAZZFNPWPX-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001588361586 1282485173 /nfs/dbraw/zinc/48/51/73/1282485173.db2.gz PVYHOOLHXOUMRO-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001588361586 1282485183 /nfs/dbraw/zinc/48/51/83/1282485183.db2.gz PVYHOOLHXOUMRO-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361821 1282485644 /nfs/dbraw/zinc/48/56/44/1282485644.db2.gz SXUAPUWMVKCWEG-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361821 1282485648 /nfs/dbraw/zinc/48/56/48/1282485648.db2.gz SXUAPUWMVKCWEG-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001588364339 1282492071 /nfs/dbraw/zinc/49/20/71/1282492071.db2.gz DUVWXIJJDIDKFI-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001588364339 1282492074 /nfs/dbraw/zinc/49/20/74/1282492074.db2.gz DUVWXIJJDIDKFI-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001588370253 1282492999 /nfs/dbraw/zinc/49/29/99/1282492999.db2.gz WBHRKKYZBFYGDP-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001588370253 1282493008 /nfs/dbraw/zinc/49/30/08/1282493008.db2.gz WBHRKKYZBFYGDP-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001588368485 1282493868 /nfs/dbraw/zinc/49/38/68/1282493868.db2.gz UJMMDXUXVBYECU-LBPRGKRZSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001588368485 1282493872 /nfs/dbraw/zinc/49/38/72/1282493872.db2.gz UJMMDXUXVBYECU-LBPRGKRZSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001588380290 1282495399 /nfs/dbraw/zinc/49/53/99/1282495399.db2.gz AAJRKVLRXQNZGB-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001588380290 1282495403 /nfs/dbraw/zinc/49/54/03/1282495403.db2.gz AAJRKVLRXQNZGB-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)C[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588406247 1282499598 /nfs/dbraw/zinc/49/95/98/1282499598.db2.gz SEXFRMMMKGPFQA-SECBINFHSA-N -1 1 368.375 0.380 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001588402243 1282500302 /nfs/dbraw/zinc/50/03/02/1282500302.db2.gz DGONOZRXNXHYFX-LBPRGKRZSA-N -1 1 372.433 0.511 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)OCC ZINC001588402572 1282500415 /nfs/dbraw/zinc/50/04/15/1282500415.db2.gz IJIRRNCDGBGELL-AWEZNQCLSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)OCC ZINC001588402572 1282500427 /nfs/dbraw/zinc/50/04/27/1282500427.db2.gz IJIRRNCDGBGELL-AWEZNQCLSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588406511 1282503265 /nfs/dbraw/zinc/50/32/65/1282503265.db2.gz VKJLFAAJSWPOOA-ZYHUDNBSSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588406511 1282503270 /nfs/dbraw/zinc/50/32/70/1282503270.db2.gz VKJLFAAJSWPOOA-ZYHUDNBSSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588417861 1282505392 /nfs/dbraw/zinc/50/53/92/1282505392.db2.gz IOZWRJQXPQBOAL-KRWDZBQOSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588417861 1282505404 /nfs/dbraw/zinc/50/54/04/1282505404.db2.gz IOZWRJQXPQBOAL-KRWDZBQOSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588415053 1282505874 /nfs/dbraw/zinc/50/58/74/1282505874.db2.gz BEAVRCPYKMHKNR-NWDGAFQWSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C1CC(C)(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)C1 ZINC001588448840 1282508508 /nfs/dbraw/zinc/50/85/08/1282508508.db2.gz GETZTNDNGGESQL-RYUDHWBXSA-N -1 1 354.418 0.694 20 30 FCEDMM C=C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588468555 1282514103 /nfs/dbraw/zinc/51/41/03/1282514103.db2.gz UJSPWILWCWLBRC-GXTWGEPZSA-N -1 1 364.413 0.965 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588476222 1282516196 /nfs/dbraw/zinc/51/61/96/1282516196.db2.gz UHCRNOJKKBUQNZ-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588476222 1282516209 /nfs/dbraw/zinc/51/62/09/1282516209.db2.gz UHCRNOJKKBUQNZ-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588476221 1282518297 /nfs/dbraw/zinc/51/82/97/1282518297.db2.gz UHCRNOJKKBUQNZ-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588476221 1282518307 /nfs/dbraw/zinc/51/83/07/1282518307.db2.gz UHCRNOJKKBUQNZ-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588493521 1282523695 /nfs/dbraw/zinc/52/36/95/1282523695.db2.gz HDUSNEJPMMBNKL-DLBZAZTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588493521 1282523701 /nfs/dbraw/zinc/52/37/01/1282523701.db2.gz HDUSNEJPMMBNKL-DLBZAZTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001588495628 1282525474 /nfs/dbraw/zinc/52/54/74/1282525474.db2.gz HAXDKRRXYTUSSY-MRXNPFEDSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001588495628 1282525482 /nfs/dbraw/zinc/52/54/82/1282525482.db2.gz HAXDKRRXYTUSSY-MRXNPFEDSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588498480 1282526914 /nfs/dbraw/zinc/52/69/14/1282526914.db2.gz AIABQOMAMIFXAO-SJCJKPOMSA-N -1 1 372.433 0.269 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588498725 1282530149 /nfs/dbraw/zinc/53/01/49/1282530149.db2.gz CORXTJAWSWRXQO-SJCJKPOMSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588498725 1282530160 /nfs/dbraw/zinc/53/01/60/1282530160.db2.gz CORXTJAWSWRXQO-SJCJKPOMSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588501210 1282533894 /nfs/dbraw/zinc/53/38/94/1282533894.db2.gz LEWGVQBBLFJBSB-GTNSWQLSSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588500961 1282533935 /nfs/dbraw/zinc/53/39/35/1282533935.db2.gz HFYDTEJWMHZHEZ-SJORKVTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588500961 1282533941 /nfs/dbraw/zinc/53/39/41/1282533941.db2.gz HFYDTEJWMHZHEZ-SJORKVTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588500871 1282534798 /nfs/dbraw/zinc/53/47/98/1282534798.db2.gz FUBKKRHZFBUYLE-ZBEGNZNMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588500871 1282534811 /nfs/dbraw/zinc/53/48/11/1282534811.db2.gz FUBKKRHZFBUYLE-ZBEGNZNMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588500862 1282535309 /nfs/dbraw/zinc/53/53/09/1282535309.db2.gz FOWCDEYGPFNTQW-CLIRUNRCSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588500862 1282535317 /nfs/dbraw/zinc/53/53/17/1282535317.db2.gz FOWCDEYGPFNTQW-CLIRUNRCSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588501092 1282535467 /nfs/dbraw/zinc/53/54/67/1282535467.db2.gz JJEXVOYUKNIKAN-SJKOYZFVSA-N -1 1 374.449 0.349 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588501209 1282535813 /nfs/dbraw/zinc/53/58/13/1282535813.db2.gz LEWGVQBBLFJBSB-DIFFPNOSSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588502192 1282536473 /nfs/dbraw/zinc/53/64/73/1282536473.db2.gz ROWXYRCFAQMUSR-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588502192 1282536482 /nfs/dbraw/zinc/53/64/82/1282536482.db2.gz ROWXYRCFAQMUSR-INIZCTEOSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588503510 1282540569 /nfs/dbraw/zinc/54/05/69/1282540569.db2.gz ZKEOQUITACALBJ-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588503510 1282540576 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ZINC001588617707 1282597524 /nfs/dbraw/zinc/59/75/24/1282597524.db2.gz YEILZTWVMCYSEX-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001588617553 1282598593 /nfs/dbraw/zinc/59/85/93/1282598593.db2.gz VOXXXQMUGGAMNU-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001588617553 1282598603 /nfs/dbraw/zinc/59/86/03/1282598603.db2.gz VOXXXQMUGGAMNU-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588617674 1282599215 /nfs/dbraw/zinc/59/92/15/1282599215.db2.gz XNYIHKVLSCTJAW-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588617744 1282599782 /nfs/dbraw/zinc/59/97/82/1282599782.db2.gz YYLUWDSPEWPVAO-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588617744 1282599795 /nfs/dbraw/zinc/59/97/95/1282599795.db2.gz YYLUWDSPEWPVAO-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588616661 1282600043 /nfs/dbraw/zinc/60/00/43/1282600043.db2.gz LDZURASPVUUUOI-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588616661 1282600056 /nfs/dbraw/zinc/60/00/56/1282600056.db2.gz LDZURASPVUUUOI-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCN(Cc1ccccc1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588653535 1282604337 /nfs/dbraw/zinc/60/43/37/1282604337.db2.gz KZACYDKKQDJYQE-UHFFFAOYSA-N -1 1 353.390 0.856 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588667383 1282624297 /nfs/dbraw/zinc/62/42/97/1282624297.db2.gz XRUIXQYBKOQXLT-GFCCVEGCSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588667383 1282624311 /nfs/dbraw/zinc/62/43/11/1282624311.db2.gz XRUIXQYBKOQXLT-GFCCVEGCSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588667321 1282624433 /nfs/dbraw/zinc/62/44/33/1282624433.db2.gz WACMHMBTVGIPAN-TZMCWYRMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588667321 1282624441 /nfs/dbraw/zinc/62/44/41/1282624441.db2.gz WACMHMBTVGIPAN-TZMCWYRMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588671763 1282628154 /nfs/dbraw/zinc/62/81/54/1282628154.db2.gz MXQFORBIOTYTBO-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588671763 1282628172 /nfs/dbraw/zinc/62/81/72/1282628172.db2.gz MXQFORBIOTYTBO-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588674538 1282631425 /nfs/dbraw/zinc/63/14/25/1282631425.db2.gz PMIVHDFQWQQUSI-NWDGAFQWSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588674538 1282631442 /nfs/dbraw/zinc/63/14/42/1282631442.db2.gz PMIVHDFQWQQUSI-NWDGAFQWSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001588676650 1282634152 /nfs/dbraw/zinc/63/41/52/1282634152.db2.gz ZGJGUHZHIWVXIH-MNOVXSKESA-N -1 1 363.447 0.918 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588676105 1282634222 /nfs/dbraw/zinc/63/42/22/1282634222.db2.gz NZAGJKODHXGABP-RTXFEEFZSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588676105 1282634237 /nfs/dbraw/zinc/63/42/37/1282634237.db2.gz NZAGJKODHXGABP-RTXFEEFZSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588680785 1282636646 /nfs/dbraw/zinc/63/66/46/1282636646.db2.gz DESRNOZSDNBJFU-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588680785 1282636663 /nfs/dbraw/zinc/63/66/63/1282636663.db2.gz DESRNOZSDNBJFU-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001588681189 1282640413 /nfs/dbraw/zinc/64/04/13/1282640413.db2.gz KNWNOQNOLBXIBJ-MDZLAQPJSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001588681189 1282640421 /nfs/dbraw/zinc/64/04/21/1282640421.db2.gz KNWNOQNOLBXIBJ-MDZLAQPJSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588682432 1282642440 /nfs/dbraw/zinc/64/24/40/1282642440.db2.gz YTXURZPNELPHIL-TZMCWYRMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588682432 1282642450 /nfs/dbraw/zinc/64/24/50/1282642450.db2.gz YTXURZPNELPHIL-TZMCWYRMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001588703745 1282651963 /nfs/dbraw/zinc/65/19/63/1282651963.db2.gz FHCBOFTXYMLYPM-SNVBAGLBSA-N -1 1 371.405 0.723 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001588703745 1282651974 /nfs/dbraw/zinc/65/19/74/1282651974.db2.gz FHCBOFTXYMLYPM-SNVBAGLBSA-N -1 1 371.405 0.723 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCC[C@H](OC)C1 ZINC001588699402 1282653396 /nfs/dbraw/zinc/65/33/96/1282653396.db2.gz IRQGIVCXDUDVPI-JTQLQIEISA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001588699178 1282654040 /nfs/dbraw/zinc/65/40/40/1282654040.db2.gz FFIKODGFOVMNAY-GHMZBOCLSA-N -1 1 356.394 0.648 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001588708598 1282655205 /nfs/dbraw/zinc/65/52/05/1282655205.db2.gz JKLUUYANVVRNHO-MNOVXSKESA-N -1 1 373.400 0.468 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nn1 ZINC001588711958 1282655249 /nfs/dbraw/zinc/65/52/49/1282655249.db2.gz YYZZJEAERWMTPL-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nn1 ZINC001588711958 1282655265 /nfs/dbraw/zinc/65/52/65/1282655265.db2.gz YYZZJEAERWMTPL-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCC(C)=C(C)C1 ZINC001588709493 1282656790 /nfs/dbraw/zinc/65/67/90/1282656790.db2.gz SXPFQJWLCOIDJE-UHFFFAOYSA-N -1 1 367.421 0.831 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588718941 1282664803 /nfs/dbraw/zinc/66/48/03/1282664803.db2.gz UDVMGPFBPAJLDM-YZVRNYIASA-N -1 1 370.417 0.649 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588718941 1282664815 /nfs/dbraw/zinc/66/48/15/1282664815.db2.gz UDVMGPFBPAJLDM-YZVRNYIASA-N -1 1 370.417 0.649 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588722477 1282667732 /nfs/dbraw/zinc/66/77/32/1282667732.db2.gz XUHZTRZFAOJLQB-BTJLNZGRSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588722477 1282667743 /nfs/dbraw/zinc/66/77/43/1282667743.db2.gz XUHZTRZFAOJLQB-BTJLNZGRSA-N -1 1 370.417 0.333 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588738120 1282680604 /nfs/dbraw/zinc/68/06/04/1282680604.db2.gz LCSQPZACAGNLKH-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588738120 1282680615 /nfs/dbraw/zinc/68/06/15/1282680615.db2.gz LCSQPZACAGNLKH-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(S(N)(=O)=O)c2)o1 ZINC001588781942 1282698579 /nfs/dbraw/zinc/69/85/79/1282698579.db2.gz MVYHVDSVHQNGCJ-UHFFFAOYSA-N -1 1 362.375 0.647 20 30 FCEDMM C[C@H](C(=O)NCCOc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588991397 1282759474 /nfs/dbraw/zinc/75/94/74/1282759474.db2.gz GBIDYPUOQXLMCP-SNVBAGLBSA-N -1 1 353.346 0.086 20 30 FCEDMM C[C@H](C(=O)NCc1ccc(OCC#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998340 1282763492 /nfs/dbraw/zinc/76/34/92/1282763492.db2.gz SJBOGFVSGBXAFD-SNVBAGLBSA-N -1 1 353.346 0.238 20 30 FCEDMM CC(C)(C)C#CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589068658 1282792634 /nfs/dbraw/zinc/79/26/34/1282792634.db2.gz VDEOYGZGNVWPHO-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589068658 1282792643 /nfs/dbraw/zinc/79/26/43/1282792643.db2.gz VDEOYGZGNVWPHO-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589157433 1282810740 /nfs/dbraw/zinc/81/07/40/1282810740.db2.gz BKEYSYREFZDNRE-KOLCDFICSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589157433 1282810749 /nfs/dbraw/zinc/81/07/49/1282810749.db2.gz BKEYSYREFZDNRE-KOLCDFICSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C#N)C1 ZINC001589157520 1282810772 /nfs/dbraw/zinc/81/07/72/1282810772.db2.gz CJYDDSXUYYHLSE-ONGXEEELSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C#N)C1 ZINC001589157520 1282810780 /nfs/dbraw/zinc/81/07/80/1282810780.db2.gz CJYDDSXUYYHLSE-ONGXEEELSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C#N)C1 ZINC001589157461 1282811335 /nfs/dbraw/zinc/81/13/35/1282811335.db2.gz BNYURLCPNYXQNY-UWVGGRQHSA-N -1 1 357.378 0.250 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589157514 1282812296 /nfs/dbraw/zinc/81/22/96/1282812296.db2.gz CJYDDSXUYYHLSE-GXSJLCMTSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589157514 1282812305 /nfs/dbraw/zinc/81/23/05/1282812305.db2.gz CJYDDSXUYYHLSE-GXSJLCMTSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589380291 1282857706 /nfs/dbraw/zinc/85/77/06/1282857706.db2.gz RWTYBRHJWAAOEY-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589380291 1282857711 /nfs/dbraw/zinc/85/77/11/1282857711.db2.gz RWTYBRHJWAAOEY-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589388468 1282865866 /nfs/dbraw/zinc/86/58/66/1282865866.db2.gz XUOQTFASISJFOJ-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001589389814 1282871367 /nfs/dbraw/zinc/87/13/67/1282871367.db2.gz OFXQHOKOYGMVAA-AGIUHOORSA-N -1 1 352.402 0.542 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001589389814 1282871380 /nfs/dbraw/zinc/87/13/80/1282871380.db2.gz OFXQHOKOYGMVAA-AGIUHOORSA-N -1 1 352.402 0.542 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001589390038 1282871904 /nfs/dbraw/zinc/87/19/04/1282871904.db2.gz YEEMNZNGXNZWSF-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM C[C@@]1(C#N)CN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001590056975 1283190987 /nfs/dbraw/zinc/19/09/87/1283190987.db2.gz VGNDKIVGGBMAKL-GFCCVEGCSA-N -1 1 354.417 0.372 20 30 FCEDMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001590108419 1283220723 /nfs/dbraw/zinc/22/07/23/1283220723.db2.gz ZBGNDCFTOHLANL-CQSZACIVSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001590108419 1283220730 /nfs/dbraw/zinc/22/07/30/1283220730.db2.gz ZBGNDCFTOHLANL-CQSZACIVSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001590256018 1283378719 /nfs/dbraw/zinc/37/87/19/1283378719.db2.gz ZDNNJKFVJXNZLK-DGCLKSJQSA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590256514 1283379347 /nfs/dbraw/zinc/37/93/47/1283379347.db2.gz FXXVKMDLYVYYLX-TZMCWYRMSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590284289 1283411553 /nfs/dbraw/zinc/41/15/53/1283411553.db2.gz QZSRQNXWYLWJGU-YPMHNXCESA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590284289 1283411556 /nfs/dbraw/zinc/41/15/56/1283411556.db2.gz QZSRQNXWYLWJGU-YPMHNXCESA-N -1 1 354.418 0.965 20 30 FCEDMM CCc1ccc([C@H](C#N)NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001604522566 1287651083 /nfs/dbraw/zinc/65/10/83/1287651083.db2.gz ZRDYBPJURWXASN-GWCFXTLKSA-N -1 1 351.374 0.963 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)C#CC(C)(C)C)n1 ZINC001590903970 1283955395 /nfs/dbraw/zinc/95/53/95/1283955395.db2.gz CBOPKUBOBGUTNG-UHFFFAOYSA-N -1 1 356.434 0.821 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)C#CC(C)(C)C)n1 ZINC001590903970 1283955401 /nfs/dbraw/zinc/95/54/01/1283955401.db2.gz CBOPKUBOBGUTNG-UHFFFAOYSA-N -1 1 356.434 0.821 20 30 FCEDMM CN(C(=O)C#CC1CC1)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590971728 1284031608 /nfs/dbraw/zinc/03/16/08/1284031608.db2.gz DWMIQDRHLUQWDZ-CYBMUJFWSA-N -1 1 352.402 0.719 20 30 FCEDMM CN(C(=O)C#CC1CC1)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590971728 1284031620 /nfs/dbraw/zinc/03/16/20/1284031620.db2.gz DWMIQDRHLUQWDZ-CYBMUJFWSA-N -1 1 352.402 0.719 20 30 FCEDMM CN(CCCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001591081515 1284148542 /nfs/dbraw/zinc/14/85/42/1284148542.db2.gz GATDOVOLSUWRAI-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001591081515 1284148550 /nfs/dbraw/zinc/14/85/50/1284148550.db2.gz GATDOVOLSUWRAI-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1nccnc1-c1nnn[n-]1 ZINC001591124002 1284197893 /nfs/dbraw/zinc/19/78/93/1284197893.db2.gz PGFHYCXMXPHANQ-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1nccnc1-c1nn[n-]n1 ZINC001591124002 1284197895 /nfs/dbraw/zinc/19/78/95/1284197895.db2.gz PGFHYCXMXPHANQ-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM COC(=O)CCN(CC#N)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591264899 1284422134 /nfs/dbraw/zinc/42/21/34/1284422134.db2.gz LTOILOMRZIVEGM-UHFFFAOYSA-N -1 1 368.350 0.083 20 30 FCEDMM COC(=O)CCN(CC#N)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591264899 1284422141 /nfs/dbraw/zinc/42/21/41/1284422141.db2.gz LTOILOMRZIVEGM-UHFFFAOYSA-N -1 1 368.350 0.083 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882361 1284971156 /nfs/dbraw/zinc/97/11/56/1284971156.db2.gz GGISIMJNKKKUEU-CQSZACIVSA-N -1 1 366.429 0.806 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882361 1284971160 /nfs/dbraw/zinc/97/11/60/1284971160.db2.gz GGISIMJNKKKUEU-CQSZACIVSA-N -1 1 366.429 0.806 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)CNC(=O)CSCC#N)n1 ZINC001591883025 1284972309 /nfs/dbraw/zinc/97/23/09/1284972309.db2.gz NANHAQVJXACKMS-JTQLQIEISA-N -1 1 361.435 0.163 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)CNC(=O)CSCC#N)n1 ZINC001591883025 1284972316 /nfs/dbraw/zinc/97/23/16/1284972316.db2.gz NANHAQVJXACKMS-JTQLQIEISA-N -1 1 361.435 0.163 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CSCC#N)CC2)n1 ZINC001591887269 1284978428 /nfs/dbraw/zinc/97/84/28/1284978428.db2.gz YKRFTTPWDVLVGH-UHFFFAOYSA-N -1 1 373.446 0.261 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CSCC#N)CC2)n1 ZINC001591887269 1284978433 /nfs/dbraw/zinc/97/84/33/1284978433.db2.gz YKRFTTPWDVLVGH-UHFFFAOYSA-N -1 1 373.446 0.261 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C#CC(C)C)CC2)n1 ZINC001591889139 1284979673 /nfs/dbraw/zinc/97/96/73/1284979673.db2.gz QCDBURWBSBSDSS-UHFFFAOYSA-N -1 1 354.418 0.663 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C#CC(C)C)CC2)n1 ZINC001591889139 1284979680 /nfs/dbraw/zinc/97/96/80/1284979680.db2.gz QCDBURWBSBSDSS-UHFFFAOYSA-N -1 1 354.418 0.663 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C/CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001591896702 1284986638 /nfs/dbraw/zinc/98/66/38/1284986638.db2.gz PELSXWGRFMZIRD-NSCUHMNNSA-N -1 1 364.373 0.563 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C/CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001591896702 1284986647 /nfs/dbraw/zinc/98/66/47/1284986647.db2.gz PELSXWGRFMZIRD-NSCUHMNNSA-N -1 1 364.373 0.563 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C\CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001591896701 1284986910 /nfs/dbraw/zinc/98/69/10/1284986910.db2.gz PELSXWGRFMZIRD-IHWYPQMZSA-N -1 1 364.373 0.563 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C\CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001591896701 1284986913 /nfs/dbraw/zinc/98/69/13/1284986913.db2.gz PELSXWGRFMZIRD-IHWYPQMZSA-N -1 1 364.373 0.563 20 30 FCEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001591955550 1285023573 /nfs/dbraw/zinc/02/35/73/1285023573.db2.gz QPIZVIQFLFSBHN-UHFFFAOYSA-N -1 1 373.431 0.888 20 30 FCEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001591955550 1285023581 /nfs/dbraw/zinc/02/35/81/1285023581.db2.gz QPIZVIQFLFSBHN-UHFFFAOYSA-N -1 1 373.431 0.888 20 30 FCEDMM Cc1cc(C)n(N=Cc2ccc(S(C)(=O)=O)cc2)c(=O)c1-c1nn[n-]n1 ZINC001591957468 1285024600 /nfs/dbraw/zinc/02/46/00/1285024600.db2.gz ZHSVMJAAPIELHR-UHFFFAOYSA-N -1 1 372.410 0.931 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001604732872 1287761315 /nfs/dbraw/zinc/76/13/15/1287761315.db2.gz ZEWLMMUFJCEQBO-CYBMUJFWSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001604732872 1287761319 /nfs/dbraw/zinc/76/13/19/1287761319.db2.gz ZEWLMMUFJCEQBO-CYBMUJFWSA-N -1 1 352.402 0.355 20 30 FCEDMM Cc1cccc(NC(=O)NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1C ZINC001592235588 1285193222 /nfs/dbraw/zinc/19/32/22/1285193222.db2.gz ONTZZSRFSXMDQG-UHFFFAOYSA-N -1 1 365.357 0.900 20 30 FCEDMM Cc1ccn(CC#CCN2C(=O)c3ccccc3C2=O)c(=O)c1-c1nn[n-]n1 ZINC001592265430 1285205433 /nfs/dbraw/zinc/20/54/33/1285205433.db2.gz YLUBZTPQZVFOPS-UHFFFAOYSA-N -1 1 374.360 0.636 20 30 FCEDMM Cc1ccn(CN2CCC3(CC2)CC(=O)C=CO3)c(=O)c1-c1nn[n-]n1 ZINC001592266793 1285208422 /nfs/dbraw/zinc/20/84/22/1285208422.db2.gz HNKBBOHADOTWCI-UHFFFAOYSA-N -1 1 356.386 0.632 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(C#N)C1 ZINC001592400086 1285311339 /nfs/dbraw/zinc/31/13/39/1285311339.db2.gz JPVJPAQSIDCCPK-UHFFFAOYSA-N -1 1 351.374 0.441 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(C#N)C1 ZINC001592400086 1285311350 /nfs/dbraw/zinc/31/13/50/1285311350.db2.gz JPVJPAQSIDCCPK-UHFFFAOYSA-N -1 1 351.374 0.441 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001604794219 1287783722 /nfs/dbraw/zinc/78/37/22/1287783722.db2.gz FMBIOVQTWUGBFY-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM Cc1nsc(N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1C#N ZINC001592476354 1285417490 /nfs/dbraw/zinc/41/74/90/1285417490.db2.gz DETCILSJRKOUMP-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1C#N ZINC001592476354 1285417496 /nfs/dbraw/zinc/41/74/96/1285417496.db2.gz DETCILSJRKOUMP-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM CN(Cc1cn(CC2(CC#N)CC2)nn1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604821345 1287787885 /nfs/dbraw/zinc/78/78/85/1287787885.db2.gz ACQSGEYSAQKXQU-UHFFFAOYSA-N -1 1 351.378 0.578 20 30 FCEDMM CN(Cc1cn(CC2(CC#N)CC2)nn1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604821345 1287787890 /nfs/dbraw/zinc/78/78/90/1287787890.db2.gz ACQSGEYSAQKXQU-UHFFFAOYSA-N -1 1 351.378 0.578 20 30 FCEDMM Cn1cc([C@H](O)C[C@H]2CCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592567636 1285481463 /nfs/dbraw/zinc/48/14/63/1285481463.db2.gz LKNWLVUBOVTKPY-DGCLKSJQSA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@H](O)C[C@H]2CCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592567636 1285481469 /nfs/dbraw/zinc/48/14/69/1285481469.db2.gz LKNWLVUBOVTKPY-DGCLKSJQSA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592567731 1285481897 /nfs/dbraw/zinc/48/18/97/1285481897.db2.gz OQYYAASKYFQJEV-AAEUAGOBSA-N -1 1 366.389 0.354 20 30 FCEDMM N#C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001592672164 1285567108 /nfs/dbraw/zinc/56/71/08/1285567108.db2.gz ZMIIEQLWXZDLHZ-MRVPVSSYSA-N -1 1 353.264 0.645 20 30 FCEDMM N#CCSCC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592679226 1285575023 /nfs/dbraw/zinc/57/50/23/1285575023.db2.gz JGDBLWYAEHVDQK-UHFFFAOYSA-N -1 1 373.446 0.034 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592679527 1285575969 /nfs/dbraw/zinc/57/59/69/1285575969.db2.gz SUYZTFRWTZCULV-MNOVXSKESA-N -1 1 373.446 0.032 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001592679395 1285575994 /nfs/dbraw/zinc/57/59/94/1285575994.db2.gz PHBRVPKYSLMVKO-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001592679395 1285576000 /nfs/dbraw/zinc/57/60/00/1285576000.db2.gz PHBRVPKYSLMVKO-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCOc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001592680715 1285579415 /nfs/dbraw/zinc/57/94/15/1285579415.db2.gz YAFSVWYUTIHCRI-UHFFFAOYSA-N -1 1 358.339 0.932 20 30 FCEDMM N#CCOc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001592680715 1285579420 /nfs/dbraw/zinc/57/94/20/1285579420.db2.gz YAFSVWYUTIHCRI-UHFFFAOYSA-N -1 1 358.339 0.932 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NCCCOc1ccccc1F ZINC001592683914 1285580763 /nfs/dbraw/zinc/58/07/63/1285580763.db2.gz GSLQZMIDOUFEPY-UHFFFAOYSA-N -1 1 370.348 0.659 20 30 FCEDMM N#Cc1cc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)co1 ZINC001592686241 1285584125 /nfs/dbraw/zinc/58/41/25/1285584125.db2.gz VZSKRACTFOVLDU-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1cc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)co1 ZINC001592686241 1285584133 /nfs/dbraw/zinc/58/41/33/1285584133.db2.gz VZSKRACTFOVLDU-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1cc(C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001592688108 1285586128 /nfs/dbraw/zinc/58/61/28/1285586128.db2.gz ZSTUALJPIDPWPQ-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001592688108 1285586134 /nfs/dbraw/zinc/58/61/34/1285586134.db2.gz ZSTUALJPIDPWPQ-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001592688109 1285586603 /nfs/dbraw/zinc/58/66/03/1285586603.db2.gz ZSTUALJPIDPWPQ-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001592688109 1285586607 /nfs/dbraw/zinc/58/66/07/1285586607.db2.gz ZSTUALJPIDPWPQ-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1ccc([C@@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592692047 1285586990 /nfs/dbraw/zinc/58/69/90/1285586990.db2.gz PYRCIPJLJAXQKQ-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc(N[C@@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)nc1 ZINC001592696206 1285587752 /nfs/dbraw/zinc/58/77/52/1285587752.db2.gz PFGLKXHUOBOBHE-GFCCVEGCSA-N -1 1 373.384 0.876 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)cnc1-c1nnn[n-]1 ZINC001592704376 1285593700 /nfs/dbraw/zinc/59/37/00/1285593700.db2.gz GHUZSRRJWINJLQ-NSHDSACASA-N -1 1 353.390 0.271 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)cnc1-c1nn[n-]n1 ZINC001592704376 1285593706 /nfs/dbraw/zinc/59/37/06/1285593706.db2.gz GHUZSRRJWINJLQ-NSHDSACASA-N -1 1 353.390 0.271 20 30 FCEDMM N#Cc1ncn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1-c1nn[n-]n1 ZINC001592709514 1285594074 /nfs/dbraw/zinc/59/40/74/1285594074.db2.gz HZYNDNZHQCMKPX-UHFFFAOYSA-N -1 1 365.313 0.432 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592709682 1285595562 /nfs/dbraw/zinc/59/55/62/1285595562.db2.gz LHVYEFBMMZXQRN-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592709682 1285595568 /nfs/dbraw/zinc/59/55/68/1285595568.db2.gz LHVYEFBMMZXQRN-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1ncc(NCCNC(=O)NC2CCCCC2)nc1-c1nn[n-]n1 ZINC001592710767 1285596589 /nfs/dbraw/zinc/59/65/89/1285596589.db2.gz YSGUJZVAWRWPCS-UHFFFAOYSA-N -1 1 356.394 0.572 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001592766168 1285688475 /nfs/dbraw/zinc/68/84/75/1285688475.db2.gz FIGVJVXHEXDWJI-GXTWGEPZSA-N -1 1 350.386 0.107 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C=CCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001602834415 1287129315 /nfs/dbraw/zinc/12/93/15/1287129315.db2.gz SIHLIAOTNDLSKS-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001602834415 1287129320 /nfs/dbraw/zinc/12/93/20/1287129320.db2.gz SIHLIAOTNDLSKS-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001602840868 1287130298 /nfs/dbraw/zinc/13/02/98/1287130298.db2.gz HSRKNUJFUMOPFR-AVGNSLFASA-N -1 1 370.417 0.427 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001602840868 1287130303 /nfs/dbraw/zinc/13/03/03/1287130303.db2.gz HSRKNUJFUMOPFR-AVGNSLFASA-N -1 1 370.417 0.427 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001602840633 1287130899 /nfs/dbraw/zinc/13/08/99/1287130899.db2.gz ATKSBBAIJDSANN-LBPRGKRZSA-N -1 1 372.433 0.511 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 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C=CCOCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001602866858 1287140876 /nfs/dbraw/zinc/14/08/76/1287140876.db2.gz OPIOBAYKVYVQHF-CYBMUJFWSA-N -1 1 372.433 0.817 20 30 FCEDMM C=CCOCC(=O)NCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001602868258 1287141734 /nfs/dbraw/zinc/14/17/34/1287141734.db2.gz KIQCPURGMPHFJZ-UHFFFAOYSA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602868010 1287141928 /nfs/dbraw/zinc/14/19/28/1287141928.db2.gz HFGGVZGNJGTHMI-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602868010 1287141932 /nfs/dbraw/zinc/14/19/32/1287141932.db2.gz HFGGVZGNJGTHMI-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001602867821 1287142419 /nfs/dbraw/zinc/14/24/19/1287142419.db2.gz AEVSMYGVDJRSIY-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCOCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001602867821 1287142426 /nfs/dbraw/zinc/14/24/26/1287142426.db2.gz AEVSMYGVDJRSIY-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCOCC(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602868859 1287144301 /nfs/dbraw/zinc/14/43/01/1287144301.db2.gz WUPBMKZSKPKXQH-UHFFFAOYSA-N -1 1 356.390 0.112 20 30 FCEDMM C=CCOCC(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602868859 1287144306 /nfs/dbraw/zinc/14/43/06/1287144306.db2.gz WUPBMKZSKPKXQH-UHFFFAOYSA-N -1 1 356.390 0.112 20 30 FCEDMM CC#CCCCC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602892018 1287149766 /nfs/dbraw/zinc/14/97/66/1287149766.db2.gz OLKSZLNPWUCTND-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602892018 1287149771 /nfs/dbraw/zinc/14/97/71/1287149771.db2.gz OLKSZLNPWUCTND-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001602981243 1287171464 /nfs/dbraw/zinc/17/14/64/1287171464.db2.gz BTYFWCQFNPCPMA-LLVKDONJSA-N -1 1 373.442 0.501 20 30 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ZINC001573287534 946840513 /nfs/dbraw/zinc/84/05/13/946840513.db2.gz NLJJJPRSXYEZOM-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573287534 946840522 /nfs/dbraw/zinc/84/05/22/946840522.db2.gz NLJJJPRSXYEZOM-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573287570 946841624 /nfs/dbraw/zinc/84/16/24/946841624.db2.gz NQJQVHSQSPQMBN-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573287570 946841631 /nfs/dbraw/zinc/84/16/31/946841631.db2.gz NQJQVHSQSPQMBN-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N(CC)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573287622 946842464 /nfs/dbraw/zinc/84/24/64/946842464.db2.gz OFSLXACYRFXFRR-UHFFFAOYSA-N -1 1 358.406 0.265 20 30 FCEDMM C#CCOCCC(=O)N(CC)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573287622 946842469 /nfs/dbraw/zinc/84/24/69/946842469.db2.gz OFSLXACYRFXFRR-UHFFFAOYSA-N 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ZINC001573288554 946869071 /nfs/dbraw/zinc/86/90/71/946869071.db2.gz VJIFGLFVUUGFSI-LBPRGKRZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001602691409 971295339 /nfs/dbraw/zinc/29/53/39/971295339.db2.gz IWZQBUBKMPAUDG-UHFFFAOYSA-N -1 1 366.395 0.337 20 30 FCEDMM C#CCOCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001573290586 946907893 /nfs/dbraw/zinc/90/78/93/946907893.db2.gz ZVOJBYLVEXHDEG-UHFFFAOYSA-N -1 1 355.807 0.790 20 30 FCEDMM C#CCOCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001573290586 946907904 /nfs/dbraw/zinc/90/79/04/946907904.db2.gz ZVOJBYLVEXHDEG-UHFFFAOYSA-N -1 1 355.807 0.790 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001573292314 946930241 /nfs/dbraw/zinc/93/02/41/946930241.db2.gz SSMXFIZWYHWMQG-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001573292314 946930251 /nfs/dbraw/zinc/93/02/51/946930251.db2.gz SSMXFIZWYHWMQG-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1)OCC ZINC001573292973 946944219 /nfs/dbraw/zinc/94/42/19/946944219.db2.gz IBJWDXZAJSHXBT-OLZOCXBDSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)OCC ZINC001573292973 946944223 /nfs/dbraw/zinc/94/42/23/946944223.db2.gz IBJWDXZAJSHXBT-OLZOCXBDSA-N -1 1 374.449 0.969 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573562454 946975878 /nfs/dbraw/zinc/97/58/78/946975878.db2.gz UHXPKQMRSPQIRF-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573562454 946975882 /nfs/dbraw/zinc/97/58/82/946975882.db2.gz UHXPKQMRSPQIRF-VOMCLLRMSA-N -1 1 355.406 0.998 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)CC1 ZINC001573296007 947034744 /nfs/dbraw/zinc/03/47/44/947034744.db2.gz JKJHKJGLVXMZEU-ZIAGYGMSSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)CC1 ZINC001573296007 947034755 /nfs/dbraw/zinc/03/47/55/947034755.db2.gz JKJHKJGLVXMZEU-ZIAGYGMSSA-N -1 1 370.417 0.069 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573567580 947048915 /nfs/dbraw/zinc/04/89/15/947048915.db2.gz OXQYXJWFJSPHEB-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573567580 947048924 /nfs/dbraw/zinc/04/89/24/947048924.db2.gz OXQYXJWFJSPHEB-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573567602 947049105 /nfs/dbraw/zinc/04/91/05/947049105.db2.gz PKFZTSKJYGJROL-NEPJUHHUSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573567602 947049113 /nfs/dbraw/zinc/04/91/13/947049113.db2.gz PKFZTSKJYGJROL-NEPJUHHUSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573570090 947084044 /nfs/dbraw/zinc/08/40/44/947084044.db2.gz 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C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573300764 947119702 /nfs/dbraw/zinc/11/97/02/947119702.db2.gz UHOCGEFVRHLPPF-ZWNOBZJWSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573300764 947119709 /nfs/dbraw/zinc/11/97/09/947119709.db2.gz UHOCGEFVRHLPPF-ZWNOBZJWSA-N -1 1 373.421 0.044 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573576301 947151567 /nfs/dbraw/zinc/15/15/67/947151567.db2.gz GQEJPQJLPOFLRC-WDSKDSINSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573576299 947151585 /nfs/dbraw/zinc/15/15/85/947151585.db2.gz GQEJPQJLPOFLRC-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573305270 947152567 /nfs/dbraw/zinc/15/25/67/947152567.db2.gz BWZXRWCTNPGQET-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573305270 947152571 /nfs/dbraw/zinc/15/25/71/947152571.db2.gz BWZXRWCTNPGQET-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573576737 947155272 /nfs/dbraw/zinc/15/52/72/947155272.db2.gz JEAOTMSNGTVCLB-WDEREUQCSA-N -1 1 373.442 0.547 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573577172 947161460 /nfs/dbraw/zinc/16/14/60/947161460.db2.gz NBGABLIAUMERGE-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577172 947161465 /nfs/dbraw/zinc/16/14/65/947161465.db2.gz NBGABLIAUMERGE-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573577174 947161549 /nfs/dbraw/zinc/16/15/49/947161549.db2.gz NBGABLIAUMERGE-RITPCOANSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577174 947161556 /nfs/dbraw/zinc/16/15/56/947161556.db2.gz NBGABLIAUMERGE-RITPCOANSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573577239 947163967 /nfs/dbraw/zinc/16/39/67/947163967.db2.gz OAASKDCZBXSABY-BZNIZROVSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573577239 947163979 /nfs/dbraw/zinc/16/39/79/947163979.db2.gz OAASKDCZBXSABY-BZNIZROVSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573577455 947168626 /nfs/dbraw/zinc/16/86/26/947168626.db2.gz PSIVZFFOSSUHNG-NKWVEPMBSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@H](C#N)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573577914 947175922 /nfs/dbraw/zinc/17/59/22/947175922.db2.gz VKHNMCDXOCVALS-LLVKDONJSA-N -1 1 355.406 0.469 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573578136 947182149 /nfs/dbraw/zinc/18/21/49/947182149.db2.gz ZAUXYEQJTIWARN-RNFRBKRXSA-N -1 1 352.811 0.831 20 30 FCEDMM 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947197948 /nfs/dbraw/zinc/19/79/48/947197948.db2.gz INNLVSCWFUYCRY-YVEFUNNKSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573309391 947198200 /nfs/dbraw/zinc/19/82/00/947198200.db2.gz IIIDATDVNKGIPP-FIHUPRISSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573309391 947198208 /nfs/dbraw/zinc/19/82/08/947198208.db2.gz IIIDATDVNKGIPP-FIHUPRISSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309552 947202609 /nfs/dbraw/zinc/20/26/09/947202609.db2.gz KNNVMVSAMLQYHH-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573309552 947202620 /nfs/dbraw/zinc/20/26/20/947202620.db2.gz KNNVMVSAMLQYHH-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573309936 947213233 /nfs/dbraw/zinc/21/32/33/947213233.db2.gz 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C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575330398 1271944031 /nfs/dbraw/zinc/94/40/31/1271944031.db2.gz LAVFKSSPEJLYRG-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575331461 1271946351 /nfs/dbraw/zinc/94/63/51/1271946351.db2.gz QBQNWIHSWQZSJU-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575331461 1271946357 /nfs/dbraw/zinc/94/63/57/1271946357.db2.gz QBQNWIHSWQZSJU-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001580669788 1278682691 /nfs/dbraw/zinc/68/26/91/1278682691.db2.gz FWNYJPOGSDUXCG-CMPLNLGQSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001580669788 1278682701 /nfs/dbraw/zinc/68/27/01/1278682701.db2.gz FWNYJPOGSDUXCG-CMPLNLGQSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001580669789 1278681491 /nfs/dbraw/zinc/68/14/91/1278681491.db2.gz FWNYJPOGSDUXCG-JQWIXIFHSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001580669789 1278681502 /nfs/dbraw/zinc/68/15/02/1278681502.db2.gz FWNYJPOGSDUXCG-JQWIXIFHSA-N -1 1 355.406 0.600 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001575726758 1272385546 /nfs/dbraw/zinc/38/55/46/1272385546.db2.gz ISKZRTFZYFZFRS-ZDUSSCGKSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001575726758 1272385561 /nfs/dbraw/zinc/38/55/61/1272385561.db2.gz ISKZRTFZYFZFRS-ZDUSSCGKSA-N -1 1 352.402 0.401 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684110 1278709980 /nfs/dbraw/zinc/70/99/80/1278709980.db2.gz BLUXACHDCMJTGY-NXEZZACHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684110 1278709990 /nfs/dbraw/zinc/70/99/90/1278709990.db2.gz BLUXACHDCMJTGY-NXEZZACHSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575837506 1272508197 /nfs/dbraw/zinc/50/81/97/1272508197.db2.gz ZYNOLGKZBDZREC-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575837506 1272508204 /nfs/dbraw/zinc/50/82/04/1272508204.db2.gz ZYNOLGKZBDZREC-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059488 1272797567 /nfs/dbraw/zinc/79/75/67/1272797567.db2.gz ONRLWDUFQLXZPT-BXKDBHETSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059488 1272797575 /nfs/dbraw/zinc/79/75/75/1272797575.db2.gz ONRLWDUFQLXZPT-BXKDBHETSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068720 1272825153 /nfs/dbraw/zinc/82/51/53/1272825153.db2.gz KLRHMXBVRVFLBX-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068720 1272825167 /nfs/dbraw/zinc/82/51/67/1272825167.db2.gz KLRHMXBVRVFLBX-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM CC(C)[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC001576358773 1273182826 /nfs/dbraw/zinc/18/28/26/1273182826.db2.gz BJCCAYYZCSQQCX-GIPNMCIBSA-N -1 1 373.421 0.534 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576866015 1273836651 /nfs/dbraw/zinc/83/66/51/1273836651.db2.gz BXFVAUKVLGRTCV-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576866015 1273836660 /nfs/dbraw/zinc/83/66/60/1273836660.db2.gz BXFVAUKVLGRTCV-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576869185 1273843099 /nfs/dbraw/zinc/84/30/99/1273843099.db2.gz YPNMJHCADSBWNH-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576869185 1273843110 /nfs/dbraw/zinc/84/31/10/1273843110.db2.gz YPNMJHCADSBWNH-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576868848 1273844812 /nfs/dbraw/zinc/84/48/12/1273844812.db2.gz WVIVPBNVPONJGW-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576868848 1273844819 /nfs/dbraw/zinc/84/48/19/1273844819.db2.gz WVIVPBNVPONJGW-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577120644 1274175124 /nfs/dbraw/zinc/17/51/24/1274175124.db2.gz WDXXOCFQWANTQV-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577120644 1274175128 /nfs/dbraw/zinc/17/51/28/1274175128.db2.gz WDXXOCFQWANTQV-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001577120719 1274175615 /nfs/dbraw/zinc/17/56/15/1274175615.db2.gz ZREDHSVMGKCDKB-LLVKDONJSA-N -1 1 355.406 0.421 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523668 1274469287 /nfs/dbraw/zinc/46/92/87/1274469287.db2.gz YZSCQOLUKCLRCN-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523668 1274469293 /nfs/dbraw/zinc/46/92/93/1274469293.db2.gz YZSCQOLUKCLRCN-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578074783 1275378447 /nfs/dbraw/zinc/37/84/47/1275378447.db2.gz FYWVAZWJERHJIR-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578074783 1275378457 /nfs/dbraw/zinc/37/84/57/1275378457.db2.gz FYWVAZWJERHJIR-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001578143779 1275443586 /nfs/dbraw/zinc/44/35/86/1275443586.db2.gz KIZUCSHFWRGJIT-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001578143779 1275443591 /nfs/dbraw/zinc/44/35/91/1275443591.db2.gz KIZUCSHFWRGJIT-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCc1n[nH]c(=O)c(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1CC ZINC001578560608 1275988899 /nfs/dbraw/zinc/98/88/99/1275988899.db2.gz WBOQGVGHOMJFPO-UHFFFAOYSA-N -1 1 352.362 0.761 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CC)CCCNC(=O)C#CC2CC2)n1 ZINC001578573207 1276007916 /nfs/dbraw/zinc/00/79/16/1276007916.db2.gz YPNBOHPUEUSLSX-UHFFFAOYSA-N -1 1 368.445 0.965 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CC)CCCNC(=O)C#CC2CC2)n1 ZINC001578573207 1276007921 /nfs/dbraw/zinc/00/79/21/1276007921.db2.gz YPNBOHPUEUSLSX-UHFFFAOYSA-N -1 1 368.445 0.965 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578579993 1276012643 /nfs/dbraw/zinc/01/26/43/1276012643.db2.gz AXESQPDHGOTXEA-RYUDHWBXSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578579993 1276012646 /nfs/dbraw/zinc/01/26/46/1276012646.db2.gz AXESQPDHGOTXEA-RYUDHWBXSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)n1 ZINC001578597293 1276029226 /nfs/dbraw/zinc/02/92/26/1276029226.db2.gz CTWJIFGZYGPWLV-DCAQKATOSA-N -1 1 353.390 0.168 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)n1 ZINC001578597293 1276029232 /nfs/dbraw/zinc/02/92/32/1276029232.db2.gz CTWJIFGZYGPWLV-DCAQKATOSA-N -1 1 353.390 0.168 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001578599347 1276031664 /nfs/dbraw/zinc/03/16/64/1276031664.db2.gz KYRSKBBIWGMXJF-UZWSLXQKSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001578599347 1276031665 /nfs/dbraw/zinc/03/16/65/1276031665.db2.gz KYRSKBBIWGMXJF-UZWSLXQKSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(N[C@H](CC)CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001578628645 1276074410 /nfs/dbraw/zinc/07/44/10/1276074410.db2.gz PLSYNUJDEMIBHT-GFCCVEGCSA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(N[C@H](CC)CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001578628645 1276074416 /nfs/dbraw/zinc/07/44/16/1276074416.db2.gz PLSYNUJDEMIBHT-GFCCVEGCSA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578655055 1276105303 /nfs/dbraw/zinc/10/53/03/1276105303.db2.gz FYHVSTXRPOQTLJ-WDEREUQCSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578655055 1276105307 /nfs/dbraw/zinc/10/53/07/1276105307.db2.gz FYHVSTXRPOQTLJ-WDEREUQCSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578655053 1276105806 /nfs/dbraw/zinc/10/58/06/1276105806.db2.gz FYHVSTXRPOQTLJ-MNOVXSKESA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578655053 1276105813 /nfs/dbraw/zinc/10/58/13/1276105813.db2.gz FYHVSTXRPOQTLJ-MNOVXSKESA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)n1 ZINC001578661608 1276111767 /nfs/dbraw/zinc/11/17/67/1276111767.db2.gz KHXWLMFSAYMHNT-UHFFFAOYSA-N -1 1 366.389 0.603 20 30 FCEDMM CCc1nc(NCCN(C)C(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)n1 ZINC001578661608 1276111771 /nfs/dbraw/zinc/11/17/71/1276111771.db2.gz KHXWLMFSAYMHNT-UHFFFAOYSA-N -1 1 366.389 0.603 20 30 FCEDMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578673823 1276125372 /nfs/dbraw/zinc/12/53/72/1276125372.db2.gz LZGPBGRFYQRAPO-MNOVXSKESA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578673823 1276125375 /nfs/dbraw/zinc/12/53/75/1276125375.db2.gz LZGPBGRFYQRAPO-MNOVXSKESA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001578675684 1276126543 /nfs/dbraw/zinc/12/65/43/1276126543.db2.gz GYEBHSJZXNTYKO-BETUJISGSA-N -1 1 366.429 0.939 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001578675684 1276126549 /nfs/dbraw/zinc/12/65/49/1276126549.db2.gz GYEBHSJZXNTYKO-BETUJISGSA-N -1 1 366.429 0.939 20 30 FCEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579063698 1276674314 /nfs/dbraw/zinc/67/43/14/1276674314.db2.gz JHHHFEYSQCQEHA-ZDUSSCGKSA-N -1 1 367.373 0.669 20 30 FCEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579063698 1276674319 /nfs/dbraw/zinc/67/43/19/1276674319.db2.gz JHHHFEYSQCQEHA-ZDUSSCGKSA-N -1 1 367.373 0.669 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C#CC(C)(C)C ZINC001579112892 1276779741 /nfs/dbraw/zinc/77/97/41/1276779741.db2.gz SAPCTLWSACICIL-UHFFFAOYSA-N -1 1 356.434 0.991 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C#CC(C)(C)C ZINC001579112892 1276779751 /nfs/dbraw/zinc/77/97/51/1276779751.db2.gz SAPCTLWSACICIL-UHFFFAOYSA-N -1 1 356.434 0.991 20 30 FCEDMM CN(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579148313 1276880398 /nfs/dbraw/zinc/88/03/98/1276880398.db2.gz PIGLKRPVBYRBOV-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCNC(=O)CSCC#N)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001579183149 1276950622 /nfs/dbraw/zinc/95/06/22/1276950622.db2.gz WSNXXIYWSWYLKH-UHFFFAOYSA-N -1 1 372.867 0.786 20 30 FCEDMM CN(Cc1nccn1CC(F)(F)F)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579265459 1277062336 /nfs/dbraw/zinc/06/23/36/1277062336.db2.gz HAXNTBTUCQKWEH-UHFFFAOYSA-N -1 1 364.295 0.924 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001579284887 1277105830 /nfs/dbraw/zinc/10/58/30/1277105830.db2.gz NAYHFVUFLJFJBN-MRVPVSSYSA-N -1 1 367.295 0.128 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001579284887 1277105831 /nfs/dbraw/zinc/10/58/31/1277105831.db2.gz NAYHFVUFLJFJBN-MRVPVSSYSA-N -1 1 367.295 0.128 20 30 FCEDMM CNC(=O)COc1cccc(Oc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001579398934 1277282543 /nfs/dbraw/zinc/28/25/43/1277282543.db2.gz RAEDRZCBXOAFJQ-UHFFFAOYSA-N -1 1 352.314 0.445 20 30 FCEDMM COC(=O)[C@H](CC1CCOCC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433435 1277300321 /nfs/dbraw/zinc/30/03/21/1277300321.db2.gz GKUDCGOCWADXJX-JTQLQIEISA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)C1(C#N)CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001579435262 1277305725 /nfs/dbraw/zinc/30/57/25/1277305725.db2.gz FOHQPYKYUPNXNT-UHFFFAOYSA-N -1 1 358.333 0.925 20 30 FCEDMM COC(=O)C1(C#N)CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001579435262 1277305727 /nfs/dbraw/zinc/30/57/27/1277305727.db2.gz FOHQPYKYUPNXNT-UHFFFAOYSA-N -1 1 358.333 0.925 20 30 FCEDMM COC(=O)Cc1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001579451981 1277341065 /nfs/dbraw/zinc/34/10/65/1277341065.db2.gz JQGFFFMFLZRIMU-UHFFFAOYSA-N -1 1 350.342 0.856 20 30 FCEDMM COC(=O)Cc1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001579451981 1277341073 /nfs/dbraw/zinc/34/10/73/1277341073.db2.gz JQGFFFMFLZRIMU-UHFFFAOYSA-N -1 1 350.342 0.856 20 30 FCEDMM COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C ZINC001579618173 1277663435 /nfs/dbraw/zinc/66/34/35/1277663435.db2.gz JDGIFDQKWUVITB-GXTWGEPZSA-N -1 1 357.418 0.427 20 30 FCEDMM COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579618176 1277663636 /nfs/dbraw/zinc/66/36/36/1277663636.db2.gz JDGIFDQKWUVITB-TZMCWYRMSA-N -1 1 357.418 0.427 20 30 FCEDMM COCCN(Cc1c(C)nn(C)c1C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579810292 1277920892 /nfs/dbraw/zinc/92/08/92/1277920892.db2.gz WPGOHCXQWMZNNP-UHFFFAOYSA-N -1 1 368.405 0.532 20 30 FCEDMM COCCN(Cc1c(C)nn(C)c1C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579810292 1277920895 /nfs/dbraw/zinc/92/08/95/1277920895.db2.gz WPGOHCXQWMZNNP-UHFFFAOYSA-N -1 1 368.405 0.532 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603189537 1287326101 /nfs/dbraw/zinc/32/61/01/1287326101.db2.gz OHOPSZWHSKBULT-OLZOCXBDSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603189537 1287326106 /nfs/dbraw/zinc/32/61/06/1287326106.db2.gz OHOPSZWHSKBULT-OLZOCXBDSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001603189599 1287326740 /nfs/dbraw/zinc/32/67/40/1287326740.db2.gz PXMXUDQUKZSVSO-SCLBCKFNSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001603189599 1287326743 /nfs/dbraw/zinc/32/67/43/1287326743.db2.gz PXMXUDQUKZSVSO-SCLBCKFNSA-N -1 1 366.429 0.601 20 30 FCEDMM Cc1ccccc1[C@@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581256569 1279530884 /nfs/dbraw/zinc/53/08/84/1279530884.db2.gz IPXRDIVQHVUYSE-OAHLLOKOSA-N -1 1 361.369 0.514 20 30 FCEDMM Cc1ccnc(NC(=O)CN(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581281223 1279578808 /nfs/dbraw/zinc/57/88/08/1279578808.db2.gz DPXIEJQEOUKVSV-UHFFFAOYSA-N -1 1 350.346 0.307 20 30 FCEDMM Cc1ccnc(NC(=O)CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581281223 1279578814 /nfs/dbraw/zinc/57/88/14/1279578814.db2.gz DPXIEJQEOUKVSV-UHFFFAOYSA-N -1 1 350.346 0.307 20 30 FCEDMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC001581411233 1279876711 /nfs/dbraw/zinc/87/67/11/1279876711.db2.gz QOXCQZGVNFBFRM-SNVBAGLBSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC001581411233 1279876716 /nfs/dbraw/zinc/87/67/16/1279876716.db2.gz QOXCQZGVNFBFRM-SNVBAGLBSA-N -1 1 363.389 0.342 20 30 FCEDMM Cn1c(=O)[nH]c(N[C@@H]2Cc3ccc(C#N)cc3C2)c(-c2nn[n-]n2)c1=O ZINC001581748222 1280452413 /nfs/dbraw/zinc/45/24/13/1280452413.db2.gz SWCPTOXCSSFFRF-LLVKDONJSA-N -1 1 350.342 0.117 20 30 FCEDMM Cn1cc([C@@]2(CNc3cnc(-c4nnn[n-]4)c(C#N)n3)CCCO2)cn1 ZINC001581764350 1280477716 /nfs/dbraw/zinc/47/77/16/1280477716.db2.gz GGJSXIJQZCPWLZ-HNNXBMFYSA-N -1 1 352.362 0.380 20 30 FCEDMM Cn1cc([C@@]2(CNc3cnc(-c4nn[n-]n4)c(C#N)n3)CCCO2)cn1 ZINC001581764350 1280477721 /nfs/dbraw/zinc/47/77/21/1280477721.db2.gz GGJSXIJQZCPWLZ-HNNXBMFYSA-N -1 1 352.362 0.380 20 30 FCEDMM Cn1cc([C@]2(CNc3cnc(-c4nnn[n-]4)c(C#N)n3)CCCO2)cn1 ZINC001581764351 1280478892 /nfs/dbraw/zinc/47/88/92/1280478892.db2.gz GGJSXIJQZCPWLZ-OAHLLOKOSA-N -1 1 352.362 0.380 20 30 FCEDMM Cn1cc([C@]2(CNc3cnc(-c4nn[n-]n4)c(C#N)n3)CCCO2)cn1 ZINC001581764351 1280478895 /nfs/dbraw/zinc/47/88/95/1280478895.db2.gz GGJSXIJQZCPWLZ-OAHLLOKOSA-N -1 1 352.362 0.380 20 30 FCEDMM Cn1cc([C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2(C)C)cn1 ZINC001581767425 1280483922 /nfs/dbraw/zinc/48/39/22/1280483922.db2.gz VTJLGPYXNDQKFL-LLVKDONJSA-N -1 1 350.390 0.892 20 30 FCEDMM Cn1cc([C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2(C)C)cn1 ZINC001581767425 1280483930 /nfs/dbraw/zinc/48/39/30/1280483930.db2.gz VTJLGPYXNDQKFL-LLVKDONJSA-N -1 1 350.390 0.892 20 30 FCEDMM Cn1ncc(C(F)(F)F)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581830249 1280579593 /nfs/dbraw/zinc/57/95/93/1280579593.db2.gz MOGGMTWXHKAXFE-UHFFFAOYSA-N -1 1 352.240 0.466 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001581858436 1280608104 /nfs/dbraw/zinc/60/81/04/1280608104.db2.gz GENKDZDFBWFZRF-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001581858436 1280608110 /nfs/dbraw/zinc/60/81/10/1280608110.db2.gz GENKDZDFBWFZRF-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC001581857096 1280609069 /nfs/dbraw/zinc/60/90/69/1280609069.db2.gz PKWFNFZJDKDITI-UHFFFAOYSA-N -1 1 366.378 0.604 20 30 FCEDMM N#CCc1ccccc1S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581859806 1280611560 /nfs/dbraw/zinc/61/15/60/1280611560.db2.gz WNMISSFEMLVOBO-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#CCc1ccccc1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581859806 1280611566 /nfs/dbraw/zinc/61/15/66/1280611566.db2.gz WNMISSFEMLVOBO-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1C[C@H](O)c1cc(Br)no1 ZINC001581860604 1280614706 /nfs/dbraw/zinc/61/47/06/1280614706.db2.gz JKICLSBYCWCNPO-LURJTMIESA-N -1 1 351.124 0.419 20 30 FCEDMM N#Cc1cc(Br)cnc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001581863258 1280616292 /nfs/dbraw/zinc/61/62/92/1280616292.db2.gz DTZWFOLUBXMJRV-UHFFFAOYSA-N -1 1 361.167 0.599 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001581863364 1280617180 /nfs/dbraw/zinc/61/71/80/1280617180.db2.gz KIYHAFCAGFWLSY-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001581863364 1280617190 /nfs/dbraw/zinc/61/71/90/1280617190.db2.gz KIYHAFCAGFWLSY-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)c[nH]1 ZINC001581864688 1280618429 /nfs/dbraw/zinc/61/84/29/1280618429.db2.gz IOQYQNBKAPKFGI-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)c[nH]1 ZINC001581864688 1280618436 /nfs/dbraw/zinc/61/84/36/1280618436.db2.gz IOQYQNBKAPKFGI-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001581865080 1280619143 /nfs/dbraw/zinc/61/91/43/1280619143.db2.gz CUYDIWBCFICROX-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001581865080 1280619147 /nfs/dbraw/zinc/61/91/47/1280619147.db2.gz CUYDIWBCFICROX-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)[nH]1 ZINC001581867349 1280623078 /nfs/dbraw/zinc/62/30/78/1280623078.db2.gz DSVJLTIYWYXLBA-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)[nH]1 ZINC001581867349 1280623086 /nfs/dbraw/zinc/62/30/86/1280623086.db2.gz DSVJLTIYWYXLBA-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867421 1280623750 /nfs/dbraw/zinc/62/37/50/1280623750.db2.gz HRNJSSKIKWOQRZ-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001581868262 1280625568 /nfs/dbraw/zinc/62/55/68/1280625568.db2.gz OIJKTXBAGPFLTF-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001581868262 1280625569 /nfs/dbraw/zinc/62/55/69/1280625569.db2.gz OIJKTXBAGPFLTF-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC001581873848 1280628602 /nfs/dbraw/zinc/62/86/02/1280628602.db2.gz SGGMCQRIYVAEAQ-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001581874502 1280628963 /nfs/dbraw/zinc/62/89/63/1280628963.db2.gz UMYJSSHPINAVQI-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001581874502 1280628973 /nfs/dbraw/zinc/62/89/73/1280628973.db2.gz UMYJSSHPINAVQI-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1cccc([C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)c1 ZINC001581874705 1280630000 /nfs/dbraw/zinc/63/00/00/1280630000.db2.gz CYSXKVIFFIDRBY-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1cccc([C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)c1 ZINC001581874705 1280630011 /nfs/dbraw/zinc/63/00/11/1280630011.db2.gz CYSXKVIFFIDRBY-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)nc1 ZINC001581873866 1280630524 /nfs/dbraw/zinc/63/05/24/1280630524.db2.gz TVYVBQHIUWCLCZ-LLVKDONJSA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)nc1 ZINC001581873866 1280630529 /nfs/dbraw/zinc/63/05/29/1280630529.db2.gz TVYVBQHIUWCLCZ-LLVKDONJSA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1nc(N2CCC[C@](C#N)(c3ccccn3)C2)cnc1-c1nn[n-]n1 ZINC001581879191 1280634749 /nfs/dbraw/zinc/63/47/49/1280634749.db2.gz AFWJAEMSXZJVEX-QGZVFWFLSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878190 1280634799 /nfs/dbraw/zinc/63/47/99/1280634799.db2.gz AEIPQHJKBOEKSG-LLVKDONJSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878190 1280634808 /nfs/dbraw/zinc/63/48/08/1280634808.db2.gz AEIPQHJKBOEKSG-LLVKDONJSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCC(N3CCCCC3=O)CC2)cnc1-c1nnn[n-]1 ZINC001581878349 1280635758 /nfs/dbraw/zinc/63/57/58/1280635758.db2.gz HIIDELCYJLHMMP-UHFFFAOYSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N2CCC(N3CCCCC3=O)CC2)cnc1-c1nn[n-]n1 ZINC001581878349 1280635764 /nfs/dbraw/zinc/63/57/64/1280635764.db2.gz HIIDELCYJLHMMP-UHFFFAOYSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N2CCC[C@@](C#N)(c3ccccn3)C2)cnc1-c1nn[n-]n1 ZINC001581879190 1280635839 /nfs/dbraw/zinc/63/58/39/1280635839.db2.gz AFWJAEMSXZJVEX-KRWDZBQOSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581878610 1280636176 /nfs/dbraw/zinc/63/61/76/1280636176.db2.gz UBRWUPUDEXADTE-SSDOTTSWSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1nc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581878610 1280636186 /nfs/dbraw/zinc/63/61/86/1280636186.db2.gz UBRWUPUDEXADTE-SSDOTTSWSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1nc(N2Cc3cccnc3N3CCC[C@H]3C2)cnc1-c1nnn[n-]1 ZINC001581879671 1280636690 /nfs/dbraw/zinc/63/66/90/1280636690.db2.gz SZMQAGAIPKBKST-LBPRGKRZSA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1nc(N2Cc3cccnc3N3CCC[C@H]3C2)cnc1-c1nn[n-]n1 ZINC001581879671 1280636695 /nfs/dbraw/zinc/63/66/95/1280636695.db2.gz SZMQAGAIPKBKST-LBPRGKRZSA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cnc1-c1nnn[n-]1 ZINC001581879203 1280637112 /nfs/dbraw/zinc/63/71/12/1280637112.db2.gz AUIWTQISTYMIOS-CMPLNLGQSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cnc1-c1nn[n-]n1 ZINC001581879203 1280637116 /nfs/dbraw/zinc/63/71/16/1280637116.db2.gz AUIWTQISTYMIOS-CMPLNLGQSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2CC2CCOCC2)cnc1-c1nnn[n-]1 ZINC001581879397 1280638914 /nfs/dbraw/zinc/63/89/14/1280638914.db2.gz JICHDJOYCDNEST-GFCCVEGCSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2CC2CCOCC2)cnc1-c1nn[n-]n1 ZINC001581879397 1280638923 /nfs/dbraw/zinc/63/89/23/1280638923.db2.gz JICHDJOYCDNEST-GFCCVEGCSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(NC[C@H]2CS(=O)(=O)c3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880126 1280639092 /nfs/dbraw/zinc/63/90/92/1280639092.db2.gz ACSYOWBOFHKEBQ-VIFPVBQESA-N -1 1 368.382 0.511 20 30 FCEDMM N#Cc1nc(NC[C@H]2CS(=O)(=O)c3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880126 1280639105 /nfs/dbraw/zinc/63/91/05/1280639105.db2.gz ACSYOWBOFHKEBQ-VIFPVBQESA-N -1 1 368.382 0.511 20 30 FCEDMM N#Cc1nc(NCc2ccc(N3CCOCC3)nc2)cnc1-c1nnn[n-]1 ZINC001581881178 1280640052 /nfs/dbraw/zinc/64/00/52/1280640052.db2.gz NYACJCJNFFRZDN-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(NCc2ccc(N3CCOCC3)nc2)cnc1-c1nn[n-]n1 ZINC001581881178 1280640064 /nfs/dbraw/zinc/64/00/64/1280640064.db2.gz NYACJCJNFFRZDN-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(NCCc2nc3c(s2)COCC3)cnc1-c1nnn[n-]1 ZINC001581881106 1280640469 /nfs/dbraw/zinc/64/04/69/1280640469.db2.gz KGEXQFKSKVOTSI-UHFFFAOYSA-N -1 1 355.387 0.712 20 30 FCEDMM N#Cc1nc(NCCc2nc3c(s2)COCC3)cnc1-c1nn[n-]n1 ZINC001581881106 1280640481 /nfs/dbraw/zinc/64/04/81/1280640481.db2.gz KGEXQFKSKVOTSI-UHFFFAOYSA-N -1 1 355.387 0.712 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cnc1-c1nnn[n-]1 ZINC001581880695 1280640539 /nfs/dbraw/zinc/64/05/39/1280640539.db2.gz SGLLWOPXVXZONL-HZMBPMFUSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cnc1-c1nn[n-]n1 ZINC001581880695 1280640549 /nfs/dbraw/zinc/64/05/49/1280640549.db2.gz SGLLWOPXVXZONL-HZMBPMFUSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1ncc(N2CC[C@@]3(C2)c2ccccc2NC3=O)nc1-c1nn[n-]n1 ZINC001581881988 1280641008 /nfs/dbraw/zinc/64/10/08/1280641008.db2.gz HIPMNRNVPYFPOI-QGZVFWFLSA-N -1 1 359.353 0.629 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581880537 1280641421 /nfs/dbraw/zinc/64/14/21/1280641421.db2.gz NJYARGAVAGEMSS-SMDDNHRTSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581880537 1280641428 /nfs/dbraw/zinc/64/14/28/1280641428.db2.gz NJYARGAVAGEMSS-SMDDNHRTSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cnc1-c1nnn[n-]1 ZINC001581880551 1280642133 /nfs/dbraw/zinc/64/21/33/1280642133.db2.gz NUTNBZXNAZAICG-SNVBAGLBSA-N -1 1 369.776 0.690 20 30 FCEDMM N#Cc1nc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cnc1-c1nn[n-]n1 ZINC001581880551 1280642137 /nfs/dbraw/zinc/64/21/37/1280642137.db2.gz NUTNBZXNAZAICG-SNVBAGLBSA-N -1 1 369.776 0.690 20 30 FCEDMM N#Cc1ncc(N2CCC(N3CCCCC3=O)CC2)nc1-c1nn[n-]n1 ZINC001581881807 1280642287 /nfs/dbraw/zinc/64/22/87/1280642287.db2.gz ASTYJFUPZXVOSD-UHFFFAOYSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1ncc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882775 1280643762 /nfs/dbraw/zinc/64/37/62/1280643762.db2.gz HBVSAYVEXUWPBI-BXUZGUMPSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1c(N)sc2c1CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001581882507 1280645048 /nfs/dbraw/zinc/64/50/48/1280645048.db2.gz BMAKVTOVHSOFFR-UHFFFAOYSA-N -1 1 350.371 0.606 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCCc3c2cnn3CCO)nc1-c1nn[n-]n1 ZINC001581883416 1280646214 /nfs/dbraw/zinc/64/62/14/1280646214.db2.gz ZBNGEIFCPWRRQL-JTQLQIEISA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1ncc(NCc2ccc3c(c2)CCS3(=O)=O)nc1-c1nn[n-]n1 ZINC001581883937 1280650663 /nfs/dbraw/zinc/65/06/63/1280650663.db2.gz CWDNNXVQKINIMN-UHFFFAOYSA-N -1 1 368.382 0.470 20 30 FCEDMM CCOc1cccc(CNC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC001609246161 1289016275 /nfs/dbraw/zinc/01/62/75/1289016275.db2.gz JHFOCSYTGKNSDC-UHFFFAOYSA-N -1 1 352.358 0.650 20 30 FCEDMM CC1CC(C#N)(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC001603842652 1287514524 /nfs/dbraw/zinc/51/45/24/1287514524.db2.gz PXHDISYGYOYQFM-UHFFFAOYSA-N -1 1 352.402 0.850 20 30 FCEDMM CC1CC(C#N)(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC001603842652 1287514529 /nfs/dbraw/zinc/51/45/29/1287514529.db2.gz PXHDISYGYOYQFM-UHFFFAOYSA-N -1 1 352.402 0.850 20 30 FCEDMM C#CC1CCN(c2nnc(-c3c[nH]c(=O)c(-c4nn[n-]n4)c3)n2C)CC1 ZINC001588331425 1282423771 /nfs/dbraw/zinc/42/37/71/1282423771.db2.gz SCDWSZGDNJKDTD-UHFFFAOYSA-N -1 1 351.374 0.612 20 30 FCEDMM C#C[C@@H]1CCCCN1c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CCOC ZINC001588332508 1282425151 /nfs/dbraw/zinc/42/51/51/1282425151.db2.gz LOWGBLMBGPZPOI-LLVKDONJSA-N -1 1 368.405 0.487 20 30 FCEDMM C#C[C@H]1CCCN(c2nnc(Cn3cnc(-c4nn[n-]n4)n3)n2CC=C)C1 ZINC001588332648 1282426094 /nfs/dbraw/zinc/42/60/94/1282426094.db2.gz OTXLQFHKBKABFB-LBPRGKRZSA-N -1 1 365.405 0.134 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588338196 1282430740 /nfs/dbraw/zinc/43/07/40/1282430740.db2.gz HZAKDHUDIBKOSK-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588338196 1282430746 /nfs/dbraw/zinc/43/07/46/1282430746.db2.gz HZAKDHUDIBKOSK-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001588338332 1282431460 /nfs/dbraw/zinc/43/14/60/1282431460.db2.gz JUNVPLVYCQHWGG-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001588338332 1282431469 /nfs/dbraw/zinc/43/14/69/1282431469.db2.gz JUNVPLVYCQHWGG-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588339296 1282432849 /nfs/dbraw/zinc/43/28/49/1282432849.db2.gz NKJUMSSSOHONTL-HIFRSBDPSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588339296 1282432852 /nfs/dbraw/zinc/43/28/52/1282432852.db2.gz NKJUMSSSOHONTL-HIFRSBDPSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588338964 1282433253 /nfs/dbraw/zinc/43/32/53/1282433253.db2.gz JIWKZSIDOWIBSE-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588338964 1282433260 /nfs/dbraw/zinc/43/32/60/1282433260.db2.gz JIWKZSIDOWIBSE-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588339298 1282434879 /nfs/dbraw/zinc/43/48/79/1282434879.db2.gz NKJUMSSSOHONTL-ZFWWWQNUSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588339298 1282434884 /nfs/dbraw/zinc/43/48/84/1282434884.db2.gz NKJUMSSSOHONTL-ZFWWWQNUSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001588339875 1282435006 /nfs/dbraw/zinc/43/50/06/1282435006.db2.gz YLAMBZVFSQJACH-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001588339875 1282435011 /nfs/dbraw/zinc/43/50/11/1282435011.db2.gz YLAMBZVFSQJACH-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588340398 1282437138 /nfs/dbraw/zinc/43/71/38/1282437138.db2.gz OGWCPNQTSVPLJJ-QMMMGPOBSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588342865 1282438526 /nfs/dbraw/zinc/43/85/26/1282438526.db2.gz UDBLIVVXJFPAPD-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588342865 1282438531 /nfs/dbraw/zinc/43/85/31/1282438531.db2.gz UDBLIVVXJFPAPD-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001588343415 1282440776 /nfs/dbraw/zinc/44/07/76/1282440776.db2.gz KUROXSPNILBWGU-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588348369 1282442646 /nfs/dbraw/zinc/44/26/46/1282442646.db2.gz SLZREYFQOKEZED-GXTWGEPZSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588355004 1282451865 /nfs/dbraw/zinc/45/18/65/1282451865.db2.gz BXVLZBKJJIGSMK-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588355004 1282451871 /nfs/dbraw/zinc/45/18/71/1282451871.db2.gz BXVLZBKJJIGSMK-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588355059 1282452135 /nfs/dbraw/zinc/45/21/35/1282452135.db2.gz DWKLFXRNCBYSEZ-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588355059 1282452146 /nfs/dbraw/zinc/45/21/46/1282452146.db2.gz DWKLFXRNCBYSEZ-UNXYVOJBSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355801 1282456105 /nfs/dbraw/zinc/45/61/05/1282456105.db2.gz MUAQCYZSSMVUEK-NWDGAFQWSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355801 1282456111 /nfs/dbraw/zinc/45/61/11/1282456111.db2.gz MUAQCYZSSMVUEK-NWDGAFQWSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588355666 1282456144 /nfs/dbraw/zinc/45/61/44/1282456144.db2.gz LDYZKPFQPTWJKG-RYUDHWBXSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588355666 1282456148 /nfs/dbraw/zinc/45/61/48/1282456148.db2.gz LDYZKPFQPTWJKG-RYUDHWBXSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588355951 1282456880 /nfs/dbraw/zinc/45/68/80/1282456880.db2.gz QAVFDTPLRMOSCI-YPMHNXCESA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588355951 1282456884 /nfs/dbraw/zinc/45/68/84/1282456884.db2.gz QAVFDTPLRMOSCI-YPMHNXCESA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588355932 1282457489 /nfs/dbraw/zinc/45/74/89/1282457489.db2.gz PSUXCFNFBWJMRI-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588355932 1282457498 /nfs/dbraw/zinc/45/74/98/1282457498.db2.gz PSUXCFNFBWJMRI-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001588356066 1282457545 /nfs/dbraw/zinc/45/75/45/1282457545.db2.gz SDISLJJYPZKLLI-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001588356066 1282457551 /nfs/dbraw/zinc/45/75/51/1282457551.db2.gz SDISLJJYPZKLLI-QWHCGFSZSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588356696 1282460578 /nfs/dbraw/zinc/46/05/78/1282460578.db2.gz DZRIJRSBTCNGJJ-HIFPTAJRSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588356696 1282460584 /nfs/dbraw/zinc/46/05/84/1282460584.db2.gz DZRIJRSBTCNGJJ-HIFPTAJRSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001588356813 1282461100 /nfs/dbraw/zinc/46/11/00/1282461100.db2.gz GKGRPAUZIFCCSI-ISALQUGTSA-N -1 1 361.431 0.754 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588356527 1282461289 /nfs/dbraw/zinc/46/12/89/1282461289.db2.gz CYXPPCFVOMXDGZ-NSHDSACASA-N -1 1 370.417 0.318 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001588356527 1282461294 /nfs/dbraw/zinc/46/12/94/1282461294.db2.gz CYXPPCFVOMXDGZ-NSHDSACASA-N -1 1 370.417 0.318 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588356966 1282463274 /nfs/dbraw/zinc/46/32/74/1282463274.db2.gz IIOVMFWWYOLTCH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588356966 1282463279 /nfs/dbraw/zinc/46/32/79/1282463279.db2.gz IIOVMFWWYOLTCH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588356971 1282463686 /nfs/dbraw/zinc/46/36/86/1282463686.db2.gz 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C#CCO[C@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358087 1282468480 /nfs/dbraw/zinc/46/84/80/1282468480.db2.gz PEKSTFDNRMNIPG-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358087 1282468488 /nfs/dbraw/zinc/46/84/88/1282468488.db2.gz PEKSTFDNRMNIPG-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358556 1282470690 /nfs/dbraw/zinc/47/06/90/1282470690.db2.gz ZCHIJZKFMPVCLS-NNNHXZLVSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358556 1282470696 /nfs/dbraw/zinc/47/06/96/1282470696.db2.gz ZCHIJZKFMPVCLS-NNNHXZLVSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588359643 1282477202 /nfs/dbraw/zinc/47/72/02/1282477202.db2.gz VRKQYYJJQKIMAP-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588359643 1282477207 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C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC001588410823 1282503038 /nfs/dbraw/zinc/50/30/38/1282503038.db2.gz WWMWFKMNWPMPRV-QMMMGPOBSA-N -1 1 357.417 0.714 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001588410823 1282503046 /nfs/dbraw/zinc/50/30/46/1282503046.db2.gz WWMWFKMNWPMPRV-QMMMGPOBSA-N -1 1 357.417 0.714 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588482230 1282519627 /nfs/dbraw/zinc/51/96/27/1282519627.db2.gz SUEDQQHEGWOHIG-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588482230 1282519639 /nfs/dbraw/zinc/51/96/39/1282519639.db2.gz SUEDQQHEGWOHIG-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588483714 1282520670 /nfs/dbraw/zinc/52/06/70/1282520670.db2.gz PUXOIVSEFSBNNE-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498741 1282528372 /nfs/dbraw/zinc/52/83/72/1282528372.db2.gz CQSJHCKAFRHBQE-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588498741 1282528379 /nfs/dbraw/zinc/52/83/79/1282528379.db2.gz CQSJHCKAFRHBQE-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588499170 1282528651 /nfs/dbraw/zinc/52/86/51/1282528651.db2.gz GWXMIOSIWULTBN-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588499170 1282528666 /nfs/dbraw/zinc/52/86/66/1282528666.db2.gz GWXMIOSIWULTBN-KRWDZBQOSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588499907 1282530710 /nfs/dbraw/zinc/53/07/10/1282530710.db2.gz ONWZWKHMVFWRQR-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588499907 1282530714 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JUGUPUUYBFKGQE-IRXDYDNUSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588501196 1282535377 /nfs/dbraw/zinc/53/53/77/1282535377.db2.gz LAPZFDRNNOXUPL-MEDUHNTESA-N -1 1 360.422 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588501196 1282535386 /nfs/dbraw/zinc/53/53/86/1282535386.db2.gz LAPZFDRNNOXUPL-MEDUHNTESA-N -1 1 360.422 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588502144 1282537099 /nfs/dbraw/zinc/53/70/99/1282537099.db2.gz QTDDQRJJUGNMGM-GTNSWQLSSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588502144 1282537106 /nfs/dbraw/zinc/53/71/06/1282537106.db2.gz QTDDQRJJUGNMGM-GTNSWQLSSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588502145 1282538423 /nfs/dbraw/zinc/53/84/23/1282538423.db2.gz QTDDQRJJUGNMGM-PIGZYNQJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588502145 1282538434 /nfs/dbraw/zinc/53/84/34/1282538434.db2.gz QTDDQRJJUGNMGM-PIGZYNQJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501818 1282538887 /nfs/dbraw/zinc/53/88/87/1282538887.db2.gz ONDFGYHYFWBUQU-PXAZEXFGSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501818 1282538900 /nfs/dbraw/zinc/53/89/00/1282538900.db2.gz ONDFGYHYFWBUQU-PXAZEXFGSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588503053 1282541360 /nfs/dbraw/zinc/54/13/60/1282541360.db2.gz WPOVDXNNCCCOPB-KRWDZBQOSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588503053 1282541368 /nfs/dbraw/zinc/54/13/68/1282541368.db2.gz WPOVDXNNCCCOPB-KRWDZBQOSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 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/nfs/dbraw/zinc/55/17/75/1282551775.db2.gz YSLRWVPUEQKLGA-YVEFUNNKSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588519070 1282555628 /nfs/dbraw/zinc/55/56/28/1282555628.db2.gz RGFHLTNBGVSLAN-OLZOCXBDSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588519070 1282555637 /nfs/dbraw/zinc/55/56/37/1282555637.db2.gz RGFHLTNBGVSLAN-OLZOCXBDSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588524263 1282558545 /nfs/dbraw/zinc/55/85/45/1282558545.db2.gz PCDSOYSSQNYXKI-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588524263 1282558557 /nfs/dbraw/zinc/55/85/57/1282558557.db2.gz PCDSOYSSQNYXKI-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC[C@@H](C(=O)OC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588532236 1282560100 /nfs/dbraw/zinc/56/01/00/1282560100.db2.gz 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C=CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588572075 1282568811 /nfs/dbraw/zinc/56/88/11/1282568811.db2.gz XRTRMFWFVDNOAW-YPMHNXCESA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCCC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588588076 1282575446 /nfs/dbraw/zinc/57/54/46/1282575446.db2.gz CKRRMUHWMRIIPQ-ZDUSSCGKSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588608112 1282580010 /nfs/dbraw/zinc/58/00/10/1282580010.db2.gz FMILSYQOHQEGDB-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588608112 1282580020 /nfs/dbraw/zinc/58/00/20/1282580020.db2.gz FMILSYQOHQEGDB-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588608114 1282581154 /nfs/dbraw/zinc/58/11/54/1282581154.db2.gz FMILSYQOHQEGDB-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588608114 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FCEDMM C=CCCOCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588610582 1282589827 /nfs/dbraw/zinc/58/98/27/1282589827.db2.gz HZNJHEZTHGIREM-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588610582 1282589834 /nfs/dbraw/zinc/58/98/34/1282589834.db2.gz HZNJHEZTHGIREM-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588610623 1282590429 /nfs/dbraw/zinc/59/04/29/1282590429.db2.gz ITTLUICVUVDNQH-UTUOFQBUSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588610623 1282590441 /nfs/dbraw/zinc/59/04/41/1282590441.db2.gz ITTLUICVUVDNQH-UTUOFQBUSA-N -1 1 358.406 0.697 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588610745 1282591162 /nfs/dbraw/zinc/59/11/62/1282591162.db2.gz MABHJJIXGVCKNI-GFCCVEGCSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588610745 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/nfs/dbraw/zinc/79/11/45/1282791145.db2.gz SFZYUOXMUBNYBZ-LBPRGKRZSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001589068381 1282792549 /nfs/dbraw/zinc/79/25/49/1282792549.db2.gz QQQNSOCOASEKEQ-QWHCGFSZSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001589068381 1282792562 /nfs/dbraw/zinc/79/25/62/1282792562.db2.gz QQQNSOCOASEKEQ-QWHCGFSZSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001589157430 1282812493 /nfs/dbraw/zinc/81/24/93/1282812493.db2.gz BKEYSYREFZDNRE-GXSJLCMTSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001589157430 1282812506 /nfs/dbraw/zinc/81/25/06/1282812506.db2.gz BKEYSYREFZDNRE-GXSJLCMTSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589384191 1282857885 /nfs/dbraw/zinc/85/78/85/1282857885.db2.gz CDKXEAQZNJSXOS-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001589389845 1282871929 /nfs/dbraw/zinc/87/19/29/1282871929.db2.gz PIVCNOGXTYHKOC-ZIAGYGMSSA-N -1 1 368.445 0.895 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589913340 1283123773 /nfs/dbraw/zinc/12/37/73/1283123773.db2.gz LSMGZNHYGMDQIN-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589913340 1283123776 /nfs/dbraw/zinc/12/37/76/1283123776.db2.gz LSMGZNHYGMDQIN-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CSCC#N)C1 ZINC001590135157 1283236596 /nfs/dbraw/zinc/23/65/96/1283236596.db2.gz GKVNBBLBLMMDSY-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CSCC#N)C1 ZINC001590135157 1283236605 /nfs/dbraw/zinc/23/66/05/1283236605.db2.gz GKVNBBLBLMMDSY-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)CSCC#N)C1 ZINC001590135740 1283237153 /nfs/dbraw/zinc/23/71/53/1283237153.db2.gz MLHLVJCHYQYNNE-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)CSCC#N)C1 ZINC001590135740 1283237158 /nfs/dbraw/zinc/23/71/58/1283237158.db2.gz MLHLVJCHYQYNNE-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C#CC2CC2)CC1 ZINC001590149231 1283247551 /nfs/dbraw/zinc/24/75/51/1283247551.db2.gz AMTICVCBAAEGAP-UHFFFAOYSA-N -1 1 352.402 0.863 20 30 FCEDMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C#CC2CC2)CC1 ZINC001590149231 1283247559 /nfs/dbraw/zinc/24/75/59/1283247559.db2.gz AMTICVCBAAEGAP-UHFFFAOYSA-N -1 1 352.402 0.863 20 30 FCEDMM C[C@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590168040 1283262073 /nfs/dbraw/zinc/26/20/73/1283262073.db2.gz JEBBMCVFSUGRNT-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590168040 1283262078 /nfs/dbraw/zinc/26/20/78/1283262078.db2.gz JEBBMCVFSUGRNT-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590266720 1283391843 /nfs/dbraw/zinc/39/18/43/1283391843.db2.gz UXDPLHPKESEJFW-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590266720 1283391851 /nfs/dbraw/zinc/39/18/51/1283391851.db2.gz UXDPLHPKESEJFW-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590266319 1283391868 /nfs/dbraw/zinc/39/18/68/1283391868.db2.gz QCQPPDBTCQUTCY-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590266319 1283391877 /nfs/dbraw/zinc/39/18/77/1283391877.db2.gz QCQPPDBTCQUTCY-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590266321 1283393659 /nfs/dbraw/zinc/39/36/59/1283393659.db2.gz QCQPPDBTCQUTCY-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590266321 1283393666 /nfs/dbraw/zinc/39/36/66/1283393666.db2.gz QCQPPDBTCQUTCY-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590284335 1283410690 /nfs/dbraw/zinc/41/06/90/1283410690.db2.gz RFWWJCOUTJCVQU-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590284335 1283410694 /nfs/dbraw/zinc/41/06/94/1283410694.db2.gz RFWWJCOUTJCVQU-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590284278 1283411274 /nfs/dbraw/zinc/41/12/74/1283411274.db2.gz QZSRQNXWYLWJGU-AAEUAGOBSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590284278 1283411278 /nfs/dbraw/zinc/41/12/78/1283411278.db2.gz QZSRQNXWYLWJGU-AAEUAGOBSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@H](C)N1CC#N ZINC001590313699 1283458367 /nfs/dbraw/zinc/45/83/67/1283458367.db2.gz PQHSITJNZXAKTQ-AOOOYVTPSA-N -1 1 367.460 0.535 20 30 FCEDMM CC[C@H](CC#N)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001590420291 1283531874 /nfs/dbraw/zinc/53/18/74/1283531874.db2.gz WAKOWYOOHNXRPQ-SECBINFHSA-N -1 1 359.394 0.565 20 30 FCEDMM CC[C@H](CC#N)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001590420291 1283531886 /nfs/dbraw/zinc/53/18/86/1283531886.db2.gz WAKOWYOOHNXRPQ-SECBINFHSA-N -1 1 359.394 0.565 20 30 FCEDMM CCCC[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C#CC1CC1 ZINC001590581002 1283617840 /nfs/dbraw/zinc/61/78/40/1283617840.db2.gz FSKGQUZYUGXETG-CYBMUJFWSA-N -1 1 354.418 0.579 20 30 FCEDMM CCCCNC(=O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590602965 1283629978 /nfs/dbraw/zinc/62/99/78/1283629978.db2.gz XTEIGOHFBSRWGJ-LLVKDONJSA-N -1 1 355.406 0.661 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590666410 1283713976 /nfs/dbraw/zinc/71/39/76/1283713976.db2.gz OWJWWGCCDJMCMJ-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590666410 1283713986 /nfs/dbraw/zinc/71/39/86/1283713986.db2.gz OWJWWGCCDJMCMJ-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590680758 1283730359 /nfs/dbraw/zinc/73/03/59/1283730359.db2.gz KBQKEQDPLPUHOH-SECBINFHSA-N -1 1 365.375 0.945 20 30 FCEDMM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590680758 1283730369 /nfs/dbraw/zinc/73/03/69/1283730369.db2.gz KBQKEQDPLPUHOH-SECBINFHSA-N -1 1 365.375 0.945 20 30 FCEDMM CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001590758722 1283819302 /nfs/dbraw/zinc/81/93/02/1283819302.db2.gz YJRFTNRKWQBHNH-NSHDSACASA-N -1 1 372.389 0.188 20 30 FCEDMM CN(CCCCNc1ccnc(-c2nn[n-]n2)n1)c1ccnc(C#N)n1 ZINC001591065237 1284126471 /nfs/dbraw/zinc/12/64/71/1284126471.db2.gz IKHRKYSWUSDMST-UHFFFAOYSA-N -1 1 351.378 0.069 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(F)c1C#N ZINC001591090100 1284161322 /nfs/dbraw/zinc/16/13/22/1284161322.db2.gz JPMORYQMEXFVIH-UHFFFAOYSA-N -1 1 369.364 0.888 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(F)c1C#N ZINC001591090100 1284161330 /nfs/dbraw/zinc/16/13/30/1284161330.db2.gz JPMORYQMEXFVIH-UHFFFAOYSA-N -1 1 369.364 0.888 20 30 FCEDMM CN(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC001604670837 1287722466 /nfs/dbraw/zinc/72/24/66/1287722466.db2.gz VZGILEKPXFFZQG-UHFFFAOYSA-N -1 1 365.357 0.275 20 30 FCEDMM COc1cccc(C#CCOC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001591632580 1284772514 /nfs/dbraw/zinc/77/25/14/1284772514.db2.gz XKFDMKSCNFHSOZ-LLVKDONJSA-N -1 1 353.342 0.623 20 30 FCEDMM COc1cccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001591632706 1284773941 /nfs/dbraw/zinc/77/39/41/1284773941.db2.gz QGHFLUVUEZECRP-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001591680801 1284822416 /nfs/dbraw/zinc/82/24/16/1284822416.db2.gz WOYKTXZBJTYCFC-UHFFFAOYSA-N -1 1 358.343 0.117 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001591727460 1284860048 /nfs/dbraw/zinc/86/00/48/1284860048.db2.gz YUKNMDWKKAAIEH-GFCCVEGCSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001591735392 1284864373 /nfs/dbraw/zinc/86/43/73/1284864373.db2.gz OUJYWTLOMUJTAH-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001591735392 1284864386 /nfs/dbraw/zinc/86/43/86/1284864386.db2.gz OUJYWTLOMUJTAH-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001591756009 1284885771 /nfs/dbraw/zinc/88/57/71/1284885771.db2.gz ILWICJCPWAVMCW-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001591756009 1284885784 /nfs/dbraw/zinc/88/57/84/1284885784.db2.gz ILWICJCPWAVMCW-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C/CNC(=O)CSCC#N)n1 ZINC001591897272 1284984867 /nfs/dbraw/zinc/98/48/67/1284984867.db2.gz ZLJHKAPAGQFMFJ-NSCUHMNNSA-N -1 1 359.419 0.306 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C/CNC(=O)CSCC#N)n1 ZINC001591897272 1284984872 /nfs/dbraw/zinc/98/48/72/1284984872.db2.gz ZLJHKAPAGQFMFJ-NSCUHMNNSA-N -1 1 359.419 0.306 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCOCCN(C)C(=O)C#CC2CC2)n1 ZINC001591899286 1284988648 /nfs/dbraw/zinc/98/86/48/1284988648.db2.gz DMCQJGGORCZXIA-UHFFFAOYSA-N -1 1 370.417 0.265 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCOCCN(C)C(=O)C#CC2CC2)n1 ZINC001591899286 1284988654 /nfs/dbraw/zinc/98/86/54/1284988654.db2.gz DMCQJGGORCZXIA-UHFFFAOYSA-N -1 1 370.417 0.265 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001591906425 1284996666 /nfs/dbraw/zinc/99/66/66/1284996666.db2.gz IIWFNCBRGDKORH-LLVKDONJSA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1cc(C#N)nc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001591906425 1284996673 /nfs/dbraw/zinc/99/66/73/1284996673.db2.gz IIWFNCBRGDKORH-LLVKDONJSA-N -1 1 363.389 0.342 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001604728975 1287759222 /nfs/dbraw/zinc/75/92/22/1287759222.db2.gz IWGIGTJZQARWFR-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592436668 1285367707 /nfs/dbraw/zinc/36/77/07/1285367707.db2.gz YFTMPYJUEFBDAM-UHFFFAOYSA-N -1 1 354.378 0.888 20 30 FCEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592436668 1285367714 /nfs/dbraw/zinc/36/77/14/1285367714.db2.gz YFTMPYJUEFBDAM-UHFFFAOYSA-N -1 1 354.378 0.888 20 30 FCEDMM Cc1nsc(N(C)[C@@H](C)CNC(=O)CSCC#N)c1-c1nn[n-]n1 ZINC001592468777 1285413281 /nfs/dbraw/zinc/41/32/81/1285413281.db2.gz XMIONCWWQIYAAS-QMMMGPOBSA-N -1 1 366.476 0.829 20 30 FCEDMM Cn1cc([C@@H]2CSCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592570646 1285487262 /nfs/dbraw/zinc/48/72/62/1285487262.db2.gz WZMHPIWPRYMVLY-NSHDSACASA-N -1 1 354.403 0.556 20 30 FCEDMM Cn1cc([C@@H]2CSCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592570646 1285487267 /nfs/dbraw/zinc/48/72/67/1285487267.db2.gz WZMHPIWPRYMVLY-NSHDSACASA-N -1 1 354.403 0.556 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001604829244 1287789218 /nfs/dbraw/zinc/78/92/18/1287789218.db2.gz FPWWHIYAJHAWOC-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001604829244 1287789221 /nfs/dbraw/zinc/78/92/21/1287789221.db2.gz FPWWHIYAJHAWOC-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM Cn1nc(Br)cc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592592056 1285526471 /nfs/dbraw/zinc/52/64/71/1285526471.db2.gz NLDHNJRTCFSZGZ-UHFFFAOYSA-N -1 1 363.139 0.210 20 30 FCEDMM N#C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCO1 ZINC001592672165 1285566771 /nfs/dbraw/zinc/56/67/71/1285566771.db2.gz ZMIIEQLWXZDLHZ-QMMMGPOBSA-N -1 1 353.264 0.645 20 30 FCEDMM N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001592676028 1285570413 /nfs/dbraw/zinc/57/04/13/1285570413.db2.gz ZPUOWDHRNZFGFE-ZDUSSCGKSA-N -1 1 368.806 0.559 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592679194 1285574843 /nfs/dbraw/zinc/57/48/43/1285574843.db2.gz IOVKRIMXWHYKEX-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592679194 1285574849 /nfs/dbraw/zinc/57/48/49/1285574849.db2.gz IOVKRIMXWHYKEX-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592678965 1285575308 /nfs/dbraw/zinc/57/53/08/1285575308.db2.gz BGSZWVQXFRLPNP-UHFFFAOYSA-N -1 1 373.446 0.175 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592679595 1285576537 /nfs/dbraw/zinc/57/65/37/1285576537.db2.gz VPUAITBVJCCQBJ-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592679595 1285576552 /nfs/dbraw/zinc/57/65/52/1285576552.db2.gz VPUAITBVJCCQBJ-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592679532 1285576569 /nfs/dbraw/zinc/57/65/69/1285576569.db2.gz TVSBZHXIYCPGRR-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592679532 1285576573 /nfs/dbraw/zinc/57/65/73/1285576573.db2.gz TVSBZHXIYCPGRR-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592679271 1285576677 /nfs/dbraw/zinc/57/66/77/1285576677.db2.gz KUOOBPWVSSTMEP-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592679271 1285576684 /nfs/dbraw/zinc/57/66/84/1285576684.db2.gz KUOOBPWVSSTMEP-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592680104 1285579116 /nfs/dbraw/zinc/57/91/16/1285579116.db2.gz FGKVAUVJCROINT-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592680104 1285579118 /nfs/dbraw/zinc/57/91/18/1285579118.db2.gz FGKVAUVJCROINT-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592680804 1285579269 /nfs/dbraw/zinc/57/92/69/1285579269.db2.gz ZVWJGOWUWKBPRK-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592680804 1285579275 /nfs/dbraw/zinc/57/92/75/1285579275.db2.gz ZVWJGOWUWKBPRK-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001592683938 1285581449 /nfs/dbraw/zinc/58/14/49/1285581449.db2.gz IEZRBYKVTMBVAM-JTQLQIEISA-N -1 1 357.378 0.671 20 30 FCEDMM N#Cc1cc(C(=O)OCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)ccn1 ZINC001592687778 1285583231 /nfs/dbraw/zinc/58/32/31/1285583231.db2.gz FPIIMVUJPBSBKU-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1ncn(CC(=O)Nc2nc3c(s2)CCCC3)c1-c1nn[n-]n1 ZINC001592709319 1285592981 /nfs/dbraw/zinc/59/29/81/1285592981.db2.gz ADKVGBFVJDPHBF-UHFFFAOYSA-N -1 1 355.387 0.909 20 30 FCEDMM N#Cc1ncc(NCc2ccnc(N3CCOCC3)c2)nc1-c1nn[n-]n1 ZINC001592708680 1285593306 /nfs/dbraw/zinc/59/33/06/1285593306.db2.gz IMHJBMZRZAUNQJ-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(NCCCS(=O)(=O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001592710621 1285595458 /nfs/dbraw/zinc/59/54/58/1285595458.db2.gz RJMJQWGOQJOWIL-UHFFFAOYSA-N -1 1 370.398 0.804 20 30 FCEDMM N#Cc1ncc(N2Cc3cccnc3N3CCC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592710216 1285595856 /nfs/dbraw/zinc/59/58/56/1285595856.db2.gz LBROOCGZOSSGKT-GFCCVEGCSA-N -1 1 360.385 0.912 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592766559 1285688726 /nfs/dbraw/zinc/68/87/26/1285688726.db2.gz NUPNCBZQKAHWSC-ZDUSSCGKSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592766559 1285688731 /nfs/dbraw/zinc/68/87/31/1285688731.db2.gz NUPNCBZQKAHWSC-ZDUSSCGKSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592767358 1285691067 /nfs/dbraw/zinc/69/10/67/1285691067.db2.gz BKWKMAOUBVKOGE-QMMMGPOBSA-N -1 1 367.822 0.279 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592768178 1285692528 /nfs/dbraw/zinc/69/25/28/1285692528.db2.gz GAGREEDFTHTMFZ-CYBMUJFWSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592768178 1285692535 /nfs/dbraw/zinc/69/25/35/1285692535.db2.gz GAGREEDFTHTMFZ-CYBMUJFWSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001592768473 1285692638 /nfs/dbraw/zinc/69/26/38/1285692638.db2.gz LMCMMYXSVIFWHI-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001592768473 1285692646 /nfs/dbraw/zinc/69/26/46/1285692646.db2.gz LMCMMYXSVIFWHI-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592768678 1285693076 /nfs/dbraw/zinc/69/30/76/1285693076.db2.gz ORRSXRFBKJOKGA-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592768678 1285693088 /nfs/dbraw/zinc/69/30/88/1285693088.db2.gz ORRSXRFBKJOKGA-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592768319 1285693711 /nfs/dbraw/zinc/69/37/11/1285693711.db2.gz HQZQIQYSNURDJR-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001592769637 1285694118 /nfs/dbraw/zinc/69/41/18/1285694118.db2.gz VYJSNTUUEDHKNT-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001592769637 1285694128 /nfs/dbraw/zinc/69/41/28/1285694128.db2.gz VYJSNTUUEDHKNT-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM N#Cc1cc(F)c(S(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC001601089031 1286630638 /nfs/dbraw/zinc/63/06/38/1286630638.db2.gz DZMHOTRHCOACBJ-UWVGGRQHSA-N -1 1 360.338 0.852 20 30 FCEDMM N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)[O-])CC3)CC2=O)cc1 ZINC001601106687 1286635263 /nfs/dbraw/zinc/63/52/63/1286635263.db2.gz XTZQMQGZWABRHN-AWEZNQCLSA-N -1 1 356.382 0.140 20 30 FCEDMM C#C[C@H](CO)NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001602687978 1287057368 /nfs/dbraw/zinc/05/73/68/1287057368.db2.gz GJKCVWVWADBMFI-ZCFIWIBFSA-N -1 1 352.152 0.140 20 30 FCEDMM C#C[C@H](CO)NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001602687978 1287057380 /nfs/dbraw/zinc/05/73/80/1287057380.db2.gz GJKCVWVWADBMFI-ZCFIWIBFSA-N -1 1 352.152 0.140 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001602687236 1287057514 /nfs/dbraw/zinc/05/75/14/1287057514.db2.gz ATAXGGQRSMMTLX-QWHCGFSZSA-N -1 1 369.433 0.679 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001602687236 1287057529 /nfs/dbraw/zinc/05/75/29/1287057529.db2.gz ATAXGGQRSMMTLX-QWHCGFSZSA-N -1 1 369.433 0.679 20 30 FCEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001602697588 1287060280 /nfs/dbraw/zinc/06/02/80/1287060280.db2.gz OOAPKRNYWCBCOU-OCCSQVGLSA-N -1 1 350.386 0.770 20 30 FCEDMM C#CCCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001602703865 1287065282 /nfs/dbraw/zinc/06/52/82/1287065282.db2.gz HJAQAJWLFGGCFI-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001602703865 1287065297 /nfs/dbraw/zinc/06/52/97/1287065297.db2.gz HJAQAJWLFGGCFI-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602703656 1287066771 /nfs/dbraw/zinc/06/67/71/1287066771.db2.gz XIXKVMJWAHPNNL-JSGCOSHPSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602703656 1287066782 /nfs/dbraw/zinc/06/67/82/1287066782.db2.gz XIXKVMJWAHPNNL-JSGCOSHPSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602706427 1287067495 /nfs/dbraw/zinc/06/74/95/1287067495.db2.gz UIZVOFXTXVSGKO-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602706427 1287067504 /nfs/dbraw/zinc/06/75/04/1287067504.db2.gz UIZVOFXTXVSGKO-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(CC)c1nnc(-c2cnc(-c3nnn[n-]3)cn2)n1CCOC ZINC001602718641 1287075346 /nfs/dbraw/zinc/07/53/46/1287075346.db2.gz YZPFATLARKOKTA-UHFFFAOYSA-N -1 1 354.378 0.021 20 30 FCEDMM C#CCN(CC)c1nnc(-c2cnc(-c3nn[n-]n3)cn2)n1CCOC ZINC001602718641 1287075360 /nfs/dbraw/zinc/07/53/60/1287075360.db2.gz YZPFATLARKOKTA-UHFFFAOYSA-N -1 1 354.378 0.021 20 30 FCEDMM C#CCN1CCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC)CC1 ZINC001602722310 1287077444 /nfs/dbraw/zinc/07/74/44/1287077444.db2.gz LXYFYLVQLHWJKR-UHFFFAOYSA-N -1 1 353.390 0.493 20 30 FCEDMM C#CCN1CCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC)CC1 ZINC001602722310 1287077457 /nfs/dbraw/zinc/07/74/57/1287077457.db2.gz LXYFYLVQLHWJKR-UHFFFAOYSA-N -1 1 353.390 0.493 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602724330 1287080949 /nfs/dbraw/zinc/08/09/49/1287080949.db2.gz CRAKIYVKCRXDLJ-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602724330 1287080957 /nfs/dbraw/zinc/08/09/57/1287080957.db2.gz CRAKIYVKCRXDLJ-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001602725379 1287082953 /nfs/dbraw/zinc/08/29/53/1287082953.db2.gz KDOCTOGEOCZVBZ-LLVKDONJSA-N -1 1 361.431 0.319 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602724915 1287083626 /nfs/dbraw/zinc/08/36/26/1287083626.db2.gz HUNOGKGRXXCBME-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602724915 1287083629 /nfs/dbraw/zinc/08/36/29/1287083629.db2.gz HUNOGKGRXXCBME-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001602726028 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C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580356020 1278158556 /nfs/dbraw/zinc/15/85/56/1278158556.db2.gz DXFIPTWJHTUIEN-NOZJJQNGSA-N -1 1 364.373 0.111 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580356020 1278158562 /nfs/dbraw/zinc/15/85/62/1278158562.db2.gz DXFIPTWJHTUIEN-NOZJJQNGSA-N -1 1 364.373 0.111 20 30 FCEDMM Cc1[nH]ncc1C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001297773367 1262891798 /nfs/dbraw/zinc/89/17/98/1262891798.db2.gz JCJDEKFLFIFFBD-UHFFFAOYSA-N -1 1 356.386 0.648 20 30 FCEDMM COC[C@](C)(C#N)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001319297863 1263674273 /nfs/dbraw/zinc/67/42/73/1263674273.db2.gz CXSUHHMIZVVZJE-KRWDZBQOSA-N -1 1 363.418 0.305 20 30 FCEDMM C#CCCCNC(=O)C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC001323217555 1264369359 /nfs/dbraw/zinc/36/93/59/1264369359.db2.gz GVBIFVJFFXVQDK-UHFFFAOYSA-N -1 1 361.402 0.217 20 30 FCEDMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCN1C(=O)OC(C)(C)C ZINC001580446425 1278309898 /nfs/dbraw/zinc/30/98/98/1278309898.db2.gz DHNYEAUNQGOHGY-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCN1C(=O)OC(C)(C)C ZINC001580446425 1278309910 /nfs/dbraw/zinc/30/99/10/1278309910.db2.gz DHNYEAUNQGOHGY-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM COc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1[N-]S(C)(=O)=O ZINC001338693337 1268045818 /nfs/dbraw/zinc/04/58/18/1268045818.db2.gz KOBPLVHLILJJPH-SECBINFHSA-N -1 1 354.388 0.424 20 30 FCEDMM O=C([O-])Cn1cc(/C=C\C(=O)c2ccc(O)c(CN3CCOCC3)c2)nn1 ZINC001341211230 1268863144 /nfs/dbraw/zinc/86/31/44/1268863144.db2.gz GRJVFCGEYQSJPX-RQOWECAXSA-N -1 1 372.381 0.797 20 30 FCEDMM C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2nnn[n-]2)n1CCOC ZINC001342121541 1269358928 /nfs/dbraw/zinc/35/89/28/1269358928.db2.gz BBINPOSAFXCKDD-UHFFFAOYSA-N -1 1 370.392 0.807 20 30 FCEDMM C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2nn[n-]n2)n1CCOC ZINC001342121541 1269358940 /nfs/dbraw/zinc/35/89/40/1269358940.db2.gz BBINPOSAFXCKDD-UHFFFAOYSA-N -1 1 370.392 0.807 20 30 FCEDMM C#CCN1CCN(c2nnc(Cc3nn[n-]n3)n2Cc2cccs2)CC1 ZINC001344912063 1270275835 /nfs/dbraw/zinc/27/58/35/1270275835.db2.gz YIMVYRJLJGHUOB-UHFFFAOYSA-N -1 1 369.458 0.247 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001580597834 1278555417 /nfs/dbraw/zinc/55/54/17/1278555417.db2.gz MREIDZXLRADYIR-LLVKDONJSA-N -1 1 354.374 0.088 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580634420 1278596605 /nfs/dbraw/zinc/59/66/05/1278596605.db2.gz FNLMZWOJDOUQNG-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580634420 1278596607 /nfs/dbraw/zinc/59/66/07/1278596607.db2.gz FNLMZWOJDOUQNG-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM CC(C)C#CC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573942486 1270948966 /nfs/dbraw/zinc/94/89/66/1270948966.db2.gz OVJFASTZQBONMT-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573942486 1270948973 /nfs/dbraw/zinc/94/89/73/1270948973.db2.gz OVJFASTZQBONMT-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574051481 1271038100 /nfs/dbraw/zinc/03/81/00/1271038100.db2.gz MKURBRGDGNQTLP-ZDUSSCGKSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574051481 1271038111 /nfs/dbraw/zinc/03/81/11/1271038111.db2.gz MKURBRGDGNQTLP-ZDUSSCGKSA-N -1 1 366.389 0.723 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574540126 1271318072 /nfs/dbraw/zinc/31/80/72/1271318072.db2.gz DQDATGSWJUTDMY-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574540126 1271318085 /nfs/dbraw/zinc/31/80/85/1271318085.db2.gz DQDATGSWJUTDMY-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546660 1271336636 /nfs/dbraw/zinc/33/66/36/1271336636.db2.gz ZIKMAQMDCFVLOO-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546660 1271336643 /nfs/dbraw/zinc/33/66/43/1271336643.db2.gz ZIKMAQMDCFVLOO-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)n1 ZINC001580651106 1278631126 /nfs/dbraw/zinc/63/11/26/1278631126.db2.gz XARIBOHLXWTFND-OCCSQVGLSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)n1 ZINC001580651106 1278631135 /nfs/dbraw/zinc/63/11/35/1278631135.db2.gz XARIBOHLXWTFND-OCCSQVGLSA-N -1 1 366.429 0.852 20 30 FCEDMM C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574636048 1271434594 /nfs/dbraw/zinc/43/45/94/1271434594.db2.gz MWOSEENBSQDZME-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574636048 1271434597 /nfs/dbraw/zinc/43/45/97/1271434597.db2.gz MWOSEENBSQDZME-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001580652828 1278638504 /nfs/dbraw/zinc/63/85/04/1278638504.db2.gz NSBLNRCAUCOOMN-PWSUYJOCSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001580652828 1278638518 /nfs/dbraw/zinc/63/85/18/1278638518.db2.gz NSBLNRCAUCOOMN-PWSUYJOCSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580656491 1278648713 /nfs/dbraw/zinc/64/87/13/1278648713.db2.gz PUPAWIJCMMWJEM-GXFFZTMASA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580656491 1278648727 /nfs/dbraw/zinc/64/87/27/1278648727.db2.gz PUPAWIJCMMWJEM-GXFFZTMASA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575319402 1271921167 /nfs/dbraw/zinc/92/11/67/1271921167.db2.gz LJHNQKDQVYQNIH-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575319402 1271921170 /nfs/dbraw/zinc/92/11/70/1271921170.db2.gz LJHNQKDQVYQNIH-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@]1(C2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)COC(=O)N1 ZINC001575752989 1272416597 /nfs/dbraw/zinc/41/65/97/1272416597.db2.gz VKKAJZPJJRUHLT-OAHLLOKOSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1(C2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)COC(=O)N1 ZINC001575752989 1272416600 /nfs/dbraw/zinc/41/66/00/1272416600.db2.gz VKKAJZPJJRUHLT-OAHLLOKOSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061272 1272803714 /nfs/dbraw/zinc/80/37/14/1272803714.db2.gz SJCKAMGKAUUNRJ-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061272 1272803732 /nfs/dbraw/zinc/80/37/32/1272803732.db2.gz SJCKAMGKAUUNRJ-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580720825 1278797348 /nfs/dbraw/zinc/79/73/48/1278797348.db2.gz ZSUGTVRISIOEPY-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580720825 1278797353 /nfs/dbraw/zinc/79/73/53/1278797353.db2.gz ZSUGTVRISIOEPY-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001580722511 1278800427 /nfs/dbraw/zinc/80/04/27/1278800427.db2.gz HRKQDTODYZBUHO-NOZJJQNGSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)n1 ZINC001580722511 1278800441 /nfs/dbraw/zinc/80/04/41/1278800441.db2.gz HRKQDTODYZBUHO-NOZJJQNGSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580727994 1278818109 /nfs/dbraw/zinc/81/81/09/1278818109.db2.gz DYDGDTQCYLXYNS-QLJPJBMISA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580727994 1278818118 /nfs/dbraw/zinc/81/81/18/1278818118.db2.gz DYDGDTQCYLXYNS-QLJPJBMISA-N -1 1 355.406 0.775 20 30 FCEDMM CSc1[n-]c(=O)c(C(=O)N2CCCN(Cc3c[nH]nn3)CC2)cc1C#N ZINC001577121703 1274175298 /nfs/dbraw/zinc/17/52/98/1274175298.db2.gz KWUZLACYKNDMLK-UHFFFAOYSA-N -1 1 373.442 0.847 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580758619 1278877571 /nfs/dbraw/zinc/87/75/71/1278877571.db2.gz ARXVOICKVHWQDH-DLOVCJGASA-N -1 1 355.406 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580758619 1278877587 /nfs/dbraw/zinc/87/75/87/1278877587.db2.gz ARXVOICKVHWQDH-DLOVCJGASA-N -1 1 355.406 0.964 20 30 FCEDMM CCOC(=O)[C@@]1(F)CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H]1CC ZINC001578249341 1275552099 /nfs/dbraw/zinc/55/20/99/1275552099.db2.gz BERPFRLKFZDKOL-BJOHPYRUSA-N -1 1 360.353 0.646 20 30 FCEDMM CCOC(=O)[C@@]1(F)CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@@H]1CC ZINC001578249341 1275552103 /nfs/dbraw/zinc/55/21/03/1275552103.db2.gz BERPFRLKFZDKOL-BJOHPYRUSA-N -1 1 360.353 0.646 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CC)[C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001578572820 1276006704 /nfs/dbraw/zinc/00/67/04/1276006704.db2.gz NMQBKIKLDQTTIT-WDEREUQCSA-N -1 1 357.422 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CC)[C@H](C)CNC(=O)[C@@H](C)C#N)n1 ZINC001578572820 1276006706 /nfs/dbraw/zinc/00/67/06/1276006706.db2.gz NMQBKIKLDQTTIT-WDEREUQCSA-N -1 1 357.422 0.710 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578630477 1276078127 /nfs/dbraw/zinc/07/81/27/1276078127.db2.gz GCKHENWOACWDAX-CMPLNLGQSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578630477 1276078135 /nfs/dbraw/zinc/07/81/35/1276078135.db2.gz GCKHENWOACWDAX-CMPLNLGQSA-N -1 1 357.422 0.931 20 30 FCEDMM CN(C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)C1(C#N)CCCCC1 ZINC001578887235 1276420840 /nfs/dbraw/zinc/42/08/40/1276420840.db2.gz YSKTZKQWMDCOGL-UHFFFAOYSA-N -1 1 359.350 0.656 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578911740 1276451134 /nfs/dbraw/zinc/45/11/34/1276451134.db2.gz IYFGRZSHXQSIIZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578911740 1276451136 /nfs/dbraw/zinc/45/11/36/1276451136.db2.gz IYFGRZSHXQSIIZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578911786 1276452088 /nfs/dbraw/zinc/45/20/88/1276452088.db2.gz KLTJQPZWGRZOKN-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578911786 1276452096 /nfs/dbraw/zinc/45/20/96/1276452096.db2.gz KLTJQPZWGRZOKN-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579010295 1276586024 /nfs/dbraw/zinc/58/60/24/1276586024.db2.gz CZUOSFREGGXHOT-UHFFFAOYSA-N -1 1 371.311 0.881 20 30 FCEDMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579010295 1276586032 /nfs/dbraw/zinc/58/60/32/1276586032.db2.gz CZUOSFREGGXHOT-UHFFFAOYSA-N -1 1 371.311 0.881 20 30 FCEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579063770 1276673734 /nfs/dbraw/zinc/67/37/34/1276673734.db2.gz LANJUJBZSHRLID-MRXNPFEDSA-N -1 1 363.381 0.868 20 30 FCEDMM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579063770 1276673748 /nfs/dbraw/zinc/67/37/48/1276673748.db2.gz LANJUJBZSHRLID-MRXNPFEDSA-N -1 1 363.381 0.868 20 30 FCEDMM CN(CCc1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001579232286 1277038683 /nfs/dbraw/zinc/03/86/83/1277038683.db2.gz VTAMTASUMHRHQK-UHFFFAOYSA-N -1 1 366.389 0.214 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC001579286758 1277110507 /nfs/dbraw/zinc/11/05/07/1277110507.db2.gz OHVHMYZBEXUNSW-ZDUSSCGKSA-N -1 1 361.369 0.770 20 30 FCEDMM COC(=O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001579446609 1277332813 /nfs/dbraw/zinc/33/28/13/1277332813.db2.gz MXUULSVQXSQGKD-GFCCVEGCSA-N -1 1 362.353 0.805 20 30 FCEDMM COC(=O)c1cccc2c1CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001579487198 1277397604 /nfs/dbraw/zinc/39/76/04/1277397604.db2.gz AWYVECPBHLZTCZ-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@@H](n2cnc(-c3nn[nH]n3)c2C#N)C1=O ZINC001603085527 1287305997 /nfs/dbraw/zinc/30/59/97/1287305997.db2.gz UWBKKRKMDIRNDH-SECBINFHSA-N -1 1 358.362 0.050 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@@H](n2cnc(-c3nn[n-]n3)c2C#N)C1=O ZINC001603085527 1287306005 /nfs/dbraw/zinc/30/60/05/1287306005.db2.gz UWBKKRKMDIRNDH-SECBINFHSA-N -1 1 358.362 0.050 20 30 FCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001603092336 1287307710 /nfs/dbraw/zinc/30/77/10/1287307710.db2.gz DBTQVSYSKNLFSO-SECBINFHSA-N -1 1 357.378 0.950 20 30 FCEDMM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001603092336 1287307713 /nfs/dbraw/zinc/30/77/13/1287307713.db2.gz DBTQVSYSKNLFSO-SECBINFHSA-N -1 1 357.378 0.950 20 30 FCEDMM Cc1ccccc1[C@@H]1C(=O)NCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581256813 1279532271 /nfs/dbraw/zinc/53/22/71/1279532271.db2.gz QUPFXJNAXBLJSI-OAHLLOKOSA-N -1 1 361.369 0.514 20 30 FCEDMM Cc1ccccc1[C@@H]1C(=O)NCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581256813 1279532280 /nfs/dbraw/zinc/53/22/80/1279532280.db2.gz QUPFXJNAXBLJSI-OAHLLOKOSA-N -1 1 361.369 0.514 20 30 FCEDMM Cc1nc(CN2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)oc1C ZINC001581450846 1279977244 /nfs/dbraw/zinc/97/72/44/1279977244.db2.gz NLGRJZLHUSDXOK-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001603540964 1287415736 /nfs/dbraw/zinc/41/57/36/1287415736.db2.gz DWYLFPFQWFMISL-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001603540964 1287415742 /nfs/dbraw/zinc/41/57/42/1287415742.db2.gz DWYLFPFQWFMISL-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM Cn1ncc(Br)c1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581824697 1280570058 /nfs/dbraw/zinc/57/00/58/1280570058.db2.gz HQJMBYUWPVTBCH-UHFFFAOYSA-N -1 1 361.167 0.636 20 30 FCEDMM Cn1ncc(Br)c1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581824697 1280570061 /nfs/dbraw/zinc/57/00/61/1280570061.db2.gz HQJMBYUWPVTBCH-UHFFFAOYSA-N -1 1 361.167 0.636 20 30 FCEDMM N#C[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001581857109 1280608773 /nfs/dbraw/zinc/60/87/73/1280608773.db2.gz PVOAMVINERGLJG-LBPRGKRZSA-N -1 1 367.373 0.706 20 30 FCEDMM N#C[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001581857109 1280608783 /nfs/dbraw/zinc/60/87/83/1280608783.db2.gz PVOAMVINERGLJG-LBPRGKRZSA-N -1 1 367.373 0.706 20 30 FCEDMM N#CC1(CS(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCC1 ZINC001581857208 1280609227 /nfs/dbraw/zinc/60/92/27/1280609227.db2.gz SULRKNQOQFJJHQ-UHFFFAOYSA-N -1 1 353.433 0.827 20 30 FCEDMM N#CC1(CS(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCC1 ZINC001581857208 1280609237 /nfs/dbraw/zinc/60/92/37/1280609237.db2.gz SULRKNQOQFJJHQ-UHFFFAOYSA-N -1 1 353.433 0.827 20 30 FCEDMM N#CCSCC(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001581858481 1280611664 /nfs/dbraw/zinc/61/16/64/1280611664.db2.gz IDQJGEUVPCDUGX-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001581858481 1280611669 /nfs/dbraw/zinc/61/16/69/1280611669.db2.gz IDQJGEUVPCDUGX-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001581858602 1280612027 /nfs/dbraw/zinc/61/20/27/1280612027.db2.gz NDTAZJLQHLZFPX-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001581858602 1280612035 /nfs/dbraw/zinc/61/20/35/1280612035.db2.gz NDTAZJLQHLZFPX-MGCOHNPYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCO[C@H](c3ccccc3)O2)nc1-c1nn[nH]n1 ZINC001581860219 1280614159 /nfs/dbraw/zinc/61/41/59/1280614159.db2.gz PONGJNBLEDGOSF-NHYWBVRUSA-N -1 1 366.341 0.904 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c[nH]1 ZINC001581864833 1280618892 /nfs/dbraw/zinc/61/88/92/1280618892.db2.gz QKUQXTRFJZUPRK-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c[nH]1 ZINC001581864833 1280618900 /nfs/dbraw/zinc/61/89/00/1280618900.db2.gz QKUQXTRFJZUPRK-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001581865044 1280619264 /nfs/dbraw/zinc/61/92/64/1280619264.db2.gz BIBDEMUNNJGSFX-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001581865044 1280619265 /nfs/dbraw/zinc/61/92/65/1280619265.db2.gz BIBDEMUNNJGSFX-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867448 1280623516 /nfs/dbraw/zinc/62/35/16/1280623516.db2.gz ISPKNTXWMJOXCC-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867448 1280623521 /nfs/dbraw/zinc/62/35/21/1280623521.db2.gz ISPKNTXWMJOXCC-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cscc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001581878280 1280635997 /nfs/dbraw/zinc/63/59/97/1280635997.db2.gz DYKGLIFWESZPPT-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1cscc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001581878280 1280635999 /nfs/dbraw/zinc/63/59/99/1280635999.db2.gz DYKGLIFWESZPPT-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1nc(NC[C@H](n2cncn2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880145 1280636741 /nfs/dbraw/zinc/63/67/41/1280636741.db2.gz AOBXCGIPGQVRCZ-ZETCQYMHSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1nc(NC[C@H](n2cncn2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880145 1280636750 /nfs/dbraw/zinc/63/67/50/1280636750.db2.gz AOBXCGIPGQVRCZ-ZETCQYMHSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2CC2CCOCC2)cnc1-c1nnn[n-]1 ZINC001581879398 1280637267 /nfs/dbraw/zinc/63/72/67/1280637267.db2.gz JICHDJOYCDNEST-LBPRGKRZSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCOC[C@@H]2CC2CCOCC2)cnc1-c1nn[n-]n1 ZINC001581879398 1280637272 /nfs/dbraw/zinc/63/72/72/1280637272.db2.gz JICHDJOYCDNEST-LBPRGKRZSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cnc1-c1nnn[n-]1 ZINC001581879736 1280637653 /nfs/dbraw/zinc/63/76/53/1280637653.db2.gz WEMWBJHOHOTSNO-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cnc1-c1nn[n-]n1 ZINC001581879736 1280637658 /nfs/dbraw/zinc/63/76/58/1280637658.db2.gz WEMWBJHOHOTSNO-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1nc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581880536 1280639892 /nfs/dbraw/zinc/63/98/92/1280639892.db2.gz NJYARGAVAGEMSS-RISCZKNCSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581880536 1280639898 /nfs/dbraw/zinc/63/98/98/1280639898.db2.gz NJYARGAVAGEMSS-RISCZKNCSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1ncc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581882168 1280643388 /nfs/dbraw/zinc/64/33/88/1280643388.db2.gz NOMYYNPVUKTYIJ-KRWDZBQOSA-N -1 1 361.369 0.162 20 30 FCEDMM N#Cc1ncc(N[C@H]2CC(=O)N(c3ccccc3F)C2)nc1-c1nn[n-]n1 ZINC001581882585 1280644617 /nfs/dbraw/zinc/64/46/17/1280644617.db2.gz DHFZQDOKWRGUNT-VIFPVBQESA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1ncc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)nc1-c1nn[n-]n1 ZINC001581882907 1280645262 /nfs/dbraw/zinc/64/52/62/1280645262.db2.gz LHGHGHKCDHAGDZ-SNVBAGLBSA-N -1 1 369.776 0.690 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001581912435 1280713501 /nfs/dbraw/zinc/71/35/01/1280713501.db2.gz LKHHPQWWBPIGPE-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM O=C(C#CC1CC1)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001581912435 1280713510 /nfs/dbraw/zinc/71/35/10/1280713510.db2.gz LKHHPQWWBPIGPE-AGUYFDCRSA-N -1 1 364.413 0.686 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603643934 1287455410 /nfs/dbraw/zinc/45/54/10/1287455410.db2.gz WRUOMGHJNFCOQW-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603643934 1287455415 /nfs/dbraw/zinc/45/54/15/1287455415.db2.gz WRUOMGHJNFCOQW-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001603851986 1287519566 /nfs/dbraw/zinc/51/95/66/1287519566.db2.gz IOJZYYPNLBRXAL-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001603851986 1287519568 /nfs/dbraw/zinc/51/95/68/1287519568.db2.gz IOJZYYPNLBRXAL-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603853513 1287520013 /nfs/dbraw/zinc/52/00/13/1287520013.db2.gz QVHVOIFATIEQAQ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603853513 1287520020 /nfs/dbraw/zinc/52/00/20/1287520020.db2.gz QVHVOIFATIEQAQ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001588328345 1282420231 /nfs/dbraw/zinc/42/02/31/1282420231.db2.gz FAORFYSCGMSKQF-MNOVXSKESA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328345 1282420233 /nfs/dbraw/zinc/42/02/33/1282420233.db2.gz FAORFYSCGMSKQF-MNOVXSKESA-N -1 1 367.818 0.979 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588336750 1282428972 /nfs/dbraw/zinc/42/89/72/1282428972.db2.gz SMNYDEHQRDKLBD-BETUJISGSA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588336750 1282428975 /nfs/dbraw/zinc/42/89/75/1282428975.db2.gz SMNYDEHQRDKLBD-BETUJISGSA-N -1 1 352.402 0.640 20 30 FCEDMM C#CCCCCC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588342562 1282438609 /nfs/dbraw/zinc/43/86/09/1282438609.db2.gz BQJMFIOTNYBREN-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588342562 1282438616 /nfs/dbraw/zinc/43/86/16/1282438616.db2.gz BQJMFIOTNYBREN-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588348372 1282443048 /nfs/dbraw/zinc/44/30/48/1282443048.db2.gz SLZREYFQOKEZED-TZMCWYRMSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588355002 1282451708 /nfs/dbraw/zinc/45/17/08/1282451708.db2.gz BXVLZBKJJIGSMK-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588355002 1282451716 /nfs/dbraw/zinc/45/17/16/1282451716.db2.gz BXVLZBKJJIGSMK-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588355097 1282451748 /nfs/dbraw/zinc/45/17/48/1282451748.db2.gz FEYIBBJXHSZCHR-MFKMUULPSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588355097 1282451752 /nfs/dbraw/zinc/45/17/52/1282451752.db2.gz FEYIBBJXHSZCHR-MFKMUULPSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001588355362 1282452783 /nfs/dbraw/zinc/45/27/83/1282452783.db2.gz HFHSARDOMLEHPL-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001588355362 1282452789 /nfs/dbraw/zinc/45/27/89/1282452789.db2.gz HFHSARDOMLEHPL-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355298 1282453463 /nfs/dbraw/zinc/45/34/63/1282453463.db2.gz FRQIMWXQNVAPLN-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355298 1282453470 /nfs/dbraw/zinc/45/34/70/1282453470.db2.gz FRQIMWXQNVAPLN-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355154 1282453979 /nfs/dbraw/zinc/45/39/79/1282453979.db2.gz DHUPXFAYZNXJAK-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355154 1282453983 /nfs/dbraw/zinc/45/39/83/1282453983.db2.gz DHUPXFAYZNXJAK-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588355664 1282454885 /nfs/dbraw/zinc/45/48/85/1282454885.db2.gz LDYZKPFQPTWJKG-NEPJUHHUSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588355664 1282454888 /nfs/dbraw/zinc/45/48/88/1282454888.db2.gz LDYZKPFQPTWJKG-NEPJUHHUSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588355674 1282455807 /nfs/dbraw/zinc/45/58/07/1282455807.db2.gz LEMABAMONQFZBG-QWRGUYRKSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588355674 1282455811 /nfs/dbraw/zinc/45/58/11/1282455811.db2.gz LEMABAMONQFZBG-QWRGUYRKSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588355563 1282456030 /nfs/dbraw/zinc/45/60/30/1282456030.db2.gz JUDYTGONCYMUEF-YUMQZZPRSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588355563 1282456037 /nfs/dbraw/zinc/45/60/37/1282456037.db2.gz JUDYTGONCYMUEF-YUMQZZPRSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588356082 1282456790 /nfs/dbraw/zinc/45/67/90/1282456790.db2.gz SHHSAMJVPSEVBF-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588356082 1282456796 /nfs/dbraw/zinc/45/67/96/1282456796.db2.gz SHHSAMJVPSEVBF-HIFPTAJRSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355864 1282457143 /nfs/dbraw/zinc/45/71/43/1282457143.db2.gz OKWGEQMSWGNMIH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355864 1282457148 /nfs/dbraw/zinc/45/71/48/1282457148.db2.gz OKWGEQMSWGNMIH-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588356188 1282457768 /nfs/dbraw/zinc/45/77/68/1282457768.db2.gz UNUNORRUHLYHGI-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588356188 1282457774 /nfs/dbraw/zinc/45/77/74/1282457774.db2.gz UNUNORRUHLYHGI-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357430 1282464478 /nfs/dbraw/zinc/46/44/78/1282464478.db2.gz JWLZGOLRYREDLN-BXUZGUMPSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357430 1282464481 /nfs/dbraw/zinc/46/44/81/1282464481.db2.gz JWLZGOLRYREDLN-BXUZGUMPSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358031 1282468223 /nfs/dbraw/zinc/46/82/23/1282468223.db2.gz SHCDPQQXADOZGR-ZDUSSCGKSA-N -1 1 372.433 0.336 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358031 1282468231 /nfs/dbraw/zinc/46/82/31/1282468231.db2.gz SHCDPQQXADOZGR-ZDUSSCGKSA-N -1 1 372.433 0.336 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360652 1282477865 /nfs/dbraw/zinc/47/78/65/1282477865.db2.gz UDKJTVZAUPZJFS-QWHCGFSZSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360652 1282477871 /nfs/dbraw/zinc/47/78/71/1282477871.db2.gz UDKJTVZAUPZJFS-QWHCGFSZSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N(C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001588360330 1282478954 /nfs/dbraw/zinc/47/89/54/1282478954.db2.gz OABOBIMYUYDFHV-UHFFFAOYSA-N -1 1 363.447 0.932 20 30 FCEDMM C#CCOCCC(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001588361436 1282482772 /nfs/dbraw/zinc/48/27/72/1282482772.db2.gz MVZCYXGCEZDLAN-SNAWJCMRSA-N -1 1 361.431 0.756 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588361303 1282483082 /nfs/dbraw/zinc/48/30/82/1282483082.db2.gz JSKGXKKMABGPLE-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588361303 1282483088 /nfs/dbraw/zinc/48/30/88/1282483088.db2.gz JSKGXKKMABGPLE-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588361526 1282484370 /nfs/dbraw/zinc/48/43/70/1282484370.db2.gz OVWRFMIFVBDEQR-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588361526 1282484375 /nfs/dbraw/zinc/48/43/75/1282484375.db2.gz OVWRFMIFVBDEQR-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001588364555 1282490848 /nfs/dbraw/zinc/49/08/48/1282490848.db2.gz GIJORVPKEYYJPJ-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001588364555 1282490854 /nfs/dbraw/zinc/49/08/54/1282490854.db2.gz GIJORVPKEYYJPJ-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001588367846 1282493180 /nfs/dbraw/zinc/49/31/80/1282493180.db2.gz ODIZSMDWTOTEQI-CQSZACIVSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001588371397 1282493430 /nfs/dbraw/zinc/49/34/30/1282493430.db2.gz GCSBMSHIOMNNKN-CQSZACIVSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001588371397 1282493435 /nfs/dbraw/zinc/49/34/35/1282493435.db2.gz GCSBMSHIOMNNKN-CQSZACIVSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001588368358 1282493488 /nfs/dbraw/zinc/49/34/88/1282493488.db2.gz TVZHMAIJEGYQDN-GFCCVEGCSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001588368358 1282493494 /nfs/dbraw/zinc/49/34/94/1282493494.db2.gz TVZHMAIJEGYQDN-GFCCVEGCSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588377497 1282495877 /nfs/dbraw/zinc/49/58/77/1282495877.db2.gz XQSUACGPARZNEK-OAHLLOKOSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588377497 1282495884 /nfs/dbraw/zinc/49/58/84/1282495884.db2.gz XQSUACGPARZNEK-OAHLLOKOSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001588379849 1282496389 /nfs/dbraw/zinc/49/63/89/1282496389.db2.gz OXTRMOWUSQBHSZ-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001588379849 1282496396 /nfs/dbraw/zinc/49/63/96/1282496396.db2.gz OXTRMOWUSQBHSZ-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588475220 1282517760 /nfs/dbraw/zinc/51/77/60/1282517760.db2.gz KKGVIUQHQIJUNN-LBPRGKRZSA-N -1 1 372.433 0.320 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588476753 1282517820 /nfs/dbraw/zinc/51/78/20/1282517820.db2.gz ZJUPKHSKLDTZHW-NSHDSACASA-N -1 1 358.406 0.508 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588476753 1282517833 /nfs/dbraw/zinc/51/78/33/1282517833.db2.gz ZJUPKHSKLDTZHW-NSHDSACASA-N -1 1 358.406 0.508 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588483384 1282518720 /nfs/dbraw/zinc/51/87/20/1282518720.db2.gz IHGOWPKQYMPMNZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588483384 1282518731 /nfs/dbraw/zinc/51/87/31/1282518731.db2.gz IHGOWPKQYMPMNZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588495351 1282521851 /nfs/dbraw/zinc/52/18/51/1282521851.db2.gz CLXAEAGHUTUAOJ-INIZCTEOSA-N -1 1 372.433 0.368 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588495285 1282524422 /nfs/dbraw/zinc/52/44/22/1282524422.db2.gz AXVLQLQINIORML-MEDUHNTESA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588495285 1282524427 /nfs/dbraw/zinc/52/44/27/1282524427.db2.gz AXVLQLQINIORML-MEDUHNTESA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588496067 1282526391 /nfs/dbraw/zinc/52/63/91/1282526391.db2.gz MAAVQBRHOAGGOP-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588496067 1282526399 /nfs/dbraw/zinc/52/63/99/1282526399.db2.gz MAAVQBRHOAGGOP-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588495657 1282527128 /nfs/dbraw/zinc/52/71/28/1282527128.db2.gz HRCAQWJTFVMGHJ-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588498579 1282528508 /nfs/dbraw/zinc/52/85/08/1282528508.db2.gz BRHDXARZZMZNLX-MRXNPFEDSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588498579 1282528520 /nfs/dbraw/zinc/52/85/20/1282528520.db2.gz BRHDXARZZMZNLX-MRXNPFEDSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588499864 1282530529 /nfs/dbraw/zinc/53/05/29/1282530529.db2.gz NWQKYCYEEIRNDX-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588499864 1282530535 /nfs/dbraw/zinc/53/05/35/1282530535.db2.gz NWQKYCYEEIRNDX-BZNIZROVSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588501093 1282534996 /nfs/dbraw/zinc/53/49/96/1282534996.db2.gz JJEXVOYUKNIKAN-YVEFUNNKSA-N -1 1 374.449 0.349 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588501988 1282537838 /nfs/dbraw/zinc/53/78/38/1282537838.db2.gz PUQMXBZXOCXEIS-DLBZAZTESA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588501988 1282537848 /nfs/dbraw/zinc/53/78/48/1282537848.db2.gz PUQMXBZXOCXEIS-DLBZAZTESA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588501666 1282538379 /nfs/dbraw/zinc/53/83/79/1282538379.db2.gz NQYRLPVYTXFAAE-KRWDZBQOSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588502917 1282539283 /nfs/dbraw/zinc/53/92/83/1282539283.db2.gz UYOGPFVODLLOJG-ZBEGNZNMSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588502917 1282539292 /nfs/dbraw/zinc/53/92/92/1282539292.db2.gz UYOGPFVODLLOJG-ZBEGNZNMSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588502990 1282539822 /nfs/dbraw/zinc/53/98/22/1282539822.db2.gz 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C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588627661 1282600369 /nfs/dbraw/zinc/60/03/69/1282600369.db2.gz DWZNJBWTOWZIIQ-WDEREUQCSA-N -1 1 360.378 0.152 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588667053 1282623352 /nfs/dbraw/zinc/62/33/52/1282623352.db2.gz QKRKMZGVVUWUNI-QGZVFWFLSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588667053 1282623360 /nfs/dbraw/zinc/62/33/60/1282623360.db2.gz QKRKMZGVVUWUNI-QGZVFWFLSA-N -1 1 370.417 0.288 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588672307 1282625954 /nfs/dbraw/zinc/62/59/54/1282625954.db2.gz UGZXUAGUMDMXIB-LBPRGKRZSA-N -1 1 360.422 0.802 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588672307 1282625969 /nfs/dbraw/zinc/62/59/69/1282625969.db2.gz UGZXUAGUMDMXIB-LBPRGKRZSA-N -1 1 360.422 0.802 20 30 FCEDMM C=CCOCC(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588671956 1282627450 /nfs/dbraw/zinc/62/74/50/1282627450.db2.gz PVFZSBCYIPWUQW-INIZCTEOSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588671956 1282627464 /nfs/dbraw/zinc/62/74/64/1282627464.db2.gz PVFZSBCYIPWUQW-INIZCTEOSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588674450 1282632512 /nfs/dbraw/zinc/63/25/12/1282632512.db2.gz OBFDSSDFRRPJNH-ZDUSSCGKSA-N -1 1 372.433 0.500 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588674450 1282632518 /nfs/dbraw/zinc/63/25/18/1282632518.db2.gz OBFDSSDFRRPJNH-ZDUSSCGKSA-N -1 1 372.433 0.500 20 30 FCEDMM C=CCOCC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588676120 1282635558 /nfs/dbraw/zinc/63/55/58/1282635558.db2.gz ODCYKEJAEPIIFG-CHWSQXEVSA-N -1 1 372.433 0.438 20 30 FCEDMM C=CCOCC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588676120 1282635567 /nfs/dbraw/zinc/63/55/67/1282635567.db2.gz 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C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001588709546 1282657288 /nfs/dbraw/zinc/65/72/88/1282657288.db2.gz UPBPHCMRAWNGAC-TXEJJXNPSA-N -1 1 369.437 0.766 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588721038 1282665236 /nfs/dbraw/zinc/66/52/36/1282665236.db2.gz APCKWVNUTIPMPJ-UPJWGTAASA-N -1 1 370.417 0.073 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588723496 1282672046 /nfs/dbraw/zinc/67/20/46/1282672046.db2.gz OBLYMTZFERIBAR-TUAOUCFPSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588725982 1282676446 /nfs/dbraw/zinc/67/64/46/1282676446.db2.gz QBBATKWWPSPHSC-NMKXLXIOSA-N -1 1 370.417 0.331 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588725982 1282676454 /nfs/dbraw/zinc/67/64/54/1282676454.db2.gz QBBATKWWPSPHSC-NMKXLXIOSA-N -1 1 370.417 0.331 20 30 FCEDMM CC#CCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588738157 1282678802 /nfs/dbraw/zinc/67/88/02/1282678802.db2.gz SIPJZUPCIVQKMU-STQMWFEESA-N -1 1 354.418 0.531 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588736583 1282680230 /nfs/dbraw/zinc/68/02/30/1282680230.db2.gz AVYJOYFWHPFYCW-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588736583 1282680243 /nfs/dbraw/zinc/68/02/43/1282680243.db2.gz AVYJOYFWHPFYCW-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588737167 1282680406 /nfs/dbraw/zinc/68/04/06/1282680406.db2.gz BFWJPCUVIJLGES-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM CC#CCCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588737167 1282680420 /nfs/dbraw/zinc/68/04/20/1282680420.db2.gz BFWJPCUVIJLGES-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM CC(=O)NC(=Cc1cccs1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588828853 1282712447 /nfs/dbraw/zinc/71/24/47/1282712447.db2.gz UMDLTEJLCGRJRR-WEVVVXLNSA-N -1 1 369.370 0.639 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588926758 1282729649 /nfs/dbraw/zinc/72/96/49/1282729649.db2.gz URQQTNADWPBSEY-BDJLRTHQSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588926758 1282729658 /nfs/dbraw/zinc/72/96/58/1282729658.db2.gz URQQTNADWPBSEY-BDJLRTHQSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588926627 1282729883 /nfs/dbraw/zinc/72/98/83/1282729883.db2.gz JOAGGXYYRGCAEM-NWDGAFQWSA-N -1 1 355.406 0.421 20 30 FCEDMM C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588936579 1282733025 /nfs/dbraw/zinc/73/30/25/1282733025.db2.gz KTADHMSNAFQTOM-UWVGGRQHSA-N -1 1 362.357 0.782 20 30 FCEDMM C[C@@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588939399 1282736462 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ZINC001589389840 1282869816 /nfs/dbraw/zinc/86/98/16/1282869816.db2.gz PCSBAAUBRCDHBN-CHWSQXEVSA-N -1 1 354.418 0.577 20 30 FCEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589412363 1282872670 /nfs/dbraw/zinc/87/26/70/1282872670.db2.gz DRPODPAQYOZFJL-OAHLLOKOSA-N -1 1 354.418 0.497 20 30 FCEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589412363 1282872677 /nfs/dbraw/zinc/87/26/77/1282872677.db2.gz DRPODPAQYOZFJL-OAHLLOKOSA-N -1 1 354.418 0.497 20 30 FCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001589682151 1282941881 /nfs/dbraw/zinc/94/18/81/1282941881.db2.gz HOBBXRCJDKMFKK-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001589682151 1282941891 /nfs/dbraw/zinc/94/18/91/1282941891.db2.gz HOBBXRCJDKMFKK-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)CSCC#N ZINC001589798612 1283015898 /nfs/dbraw/zinc/01/58/98/1283015898.db2.gz JRDWWHLDVLFVDS-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)CSCC#N ZINC001589798612 1283015912 /nfs/dbraw/zinc/01/59/12/1283015912.db2.gz JRDWWHLDVLFVDS-NXEZZACHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](CN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[n-]n1 ZINC001589836463 1283074604 /nfs/dbraw/zinc/07/46/04/1283074604.db2.gz NXZATNWLSHHKMA-MFKMUULPSA-N -1 1 366.389 0.324 20 30 FCEDMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590174998 1283279315 /nfs/dbraw/zinc/27/93/15/1283279315.db2.gz KXJAFOPWCBJHHN-NWDGAFQWSA-N -1 1 354.418 0.529 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CSCC#N ZINC001590207835 1283330845 /nfs/dbraw/zinc/33/08/45/1283330845.db2.gz AOLJQHQFGQWOHG-GHMZBOCLSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CSCC#N ZINC001590207835 1283330858 /nfs/dbraw/zinc/33/08/58/1283330858.db2.gz AOLJQHQFGQWOHG-GHMZBOCLSA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001590255889 1283379220 /nfs/dbraw/zinc/37/92/20/1283379220.db2.gz YKYMIAQXAREPJZ-YPMHNXCESA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590266719 1283391893 /nfs/dbraw/zinc/39/18/93/1283391893.db2.gz UXDPLHPKESEJFW-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590266719 1283391899 /nfs/dbraw/zinc/39/18/99/1283391899.db2.gz UXDPLHPKESEJFW-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001590291246 1283420641 /nfs/dbraw/zinc/42/06/41/1283420641.db2.gz BATPQVUDSASYLX-QWRGUYRKSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001590291246 1283420645 /nfs/dbraw/zinc/42/06/45/1283420645.db2.gz BATPQVUDSASYLX-QWRGUYRKSA-N -1 1 373.446 0.420 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590291256 1283421573 /nfs/dbraw/zinc/42/15/73/1283421573.db2.gz BFUHUFQUUNQAIL-MWLCHTKSSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590291256 1283421576 /nfs/dbraw/zinc/42/15/76/1283421576.db2.gz BFUHUFQUUNQAIL-MWLCHTKSSA-N -1 1 359.419 0.172 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590666448 1283711383 /nfs/dbraw/zinc/71/13/83/1283711383.db2.gz QXWCFODQBREJOA-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590666448 1283711388 /nfs/dbraw/zinc/71/13/88/1283711388.db2.gz QXWCFODQBREJOA-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590668935 1283715246 /nfs/dbraw/zinc/71/52/46/1283715246.db2.gz HYYNHYKKXVCFEM-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590668935 1283715251 /nfs/dbraw/zinc/71/52/51/1283715251.db2.gz HYYNHYKKXVCFEM-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001604569939 1287666604 /nfs/dbraw/zinc/66/66/04/1287666604.db2.gz DWXBBAATPYDXPH-GMTAPVOTSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001604569939 1287666609 /nfs/dbraw/zinc/66/66/09/1287666609.db2.gz DWXBBAATPYDXPH-GMTAPVOTSA-N -1 1 355.406 0.685 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590862597 1283934964 /nfs/dbraw/zinc/93/49/64/1283934964.db2.gz OIXXSFTYALOEJM-GXTWGEPZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590862597 1283934971 /nfs/dbraw/zinc/93/49/71/1283934971.db2.gz OIXXSFTYALOEJM-GXTWGEPZSA-N -1 1 354.418 0.790 20 30 FCEDMM CCc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590916473 1283964988 /nfs/dbraw/zinc/96/49/88/1283964988.db2.gz PTAZQXZNISFCAE-BXUZGUMPSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590916473 1283964995 /nfs/dbraw/zinc/96/49/95/1283964995.db2.gz PTAZQXZNISFCAE-BXUZGUMPSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590916474 1283965457 /nfs/dbraw/zinc/96/54/57/1283965457.db2.gz PTAZQXZNISFCAE-FZMZJTMJSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590916474 1283965464 /nfs/dbraw/zinc/96/54/64/1283965464.db2.gz PTAZQXZNISFCAE-FZMZJTMJSA-N -1 1 366.429 0.891 20 30 FCEDMM CN(CCC#N)C[C@@H](O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591061939 1284122288 /nfs/dbraw/zinc/12/22/88/1284122288.db2.gz KZFWZKQIWQUCDL-GFCCVEGCSA-N -1 1 353.386 0.388 20 30 FCEDMM CN(CCCCNc1ccnc(C#N)n1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591065383 1284127828 /nfs/dbraw/zinc/12/78/28/1284127828.db2.gz LRQUORBTURDPKS-UHFFFAOYSA-N -1 1 351.378 0.069 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001591753516 1284882007 /nfs/dbraw/zinc/88/20/07/1284882007.db2.gz FXFYTLQIVYNFKF-NEPJUHHUSA-N -1 1 354.418 0.790 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001591753516 1284882018 /nfs/dbraw/zinc/88/20/18/1284882018.db2.gz FXFYTLQIVYNFKF-NEPJUHHUSA-N -1 1 354.418 0.790 20 30 FCEDMM CN(CC#N)S(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001604709032 1287745448 /nfs/dbraw/zinc/74/54/48/1287745448.db2.gz YRRQWMICMLIDEV-UHFFFAOYSA-N -1 1 357.193 0.773 20 30 FCEDMM CN(CC#N)S(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001604709032 1287745458 /nfs/dbraw/zinc/74/54/58/1287745458.db2.gz YRRQWMICMLIDEV-UHFFFAOYSA-N -1 1 357.193 0.773 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)(NC(=O)C#CC(C)C)C2)n1 ZINC001591885841 1284975163 /nfs/dbraw/zinc/97/51/63/1284975163.db2.gz YNQQHEKKVCNSIS-QGZVFWFLSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)(NC(=O)C#CC(C)C)C2)n1 ZINC001591885841 1284975170 /nfs/dbraw/zinc/97/51/70/1284975170.db2.gz YNQQHEKKVCNSIS-QGZVFWFLSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)(NC(=O)C#CC(C)C)C2)n1 ZINC001591885839 1284975214 /nfs/dbraw/zinc/97/52/14/1284975214.db2.gz YNQQHEKKVCNSIS-KRWDZBQOSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)(NC(=O)C#CC(C)C)C2)n1 ZINC001591885839 1284975220 /nfs/dbraw/zinc/97/52/20/1284975220.db2.gz YNQQHEKKVCNSIS-KRWDZBQOSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001591889678 1284981079 /nfs/dbraw/zinc/98/10/79/1284981079.db2.gz YTHISIDFLSIZGA-ZDUSSCGKSA-N -1 1 352.402 0.464 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001591889678 1284981087 /nfs/dbraw/zinc/98/10/87/1284981087.db2.gz YTHISIDFLSIZGA-ZDUSSCGKSA-N -1 1 352.402 0.464 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001591888741 1284981589 /nfs/dbraw/zinc/98/15/89/1284981589.db2.gz IAXCYFCJNHGBID-TZMCWYRMSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001591888741 1284981594 /nfs/dbraw/zinc/98/15/94/1284981594.db2.gz IAXCYFCJNHGBID-TZMCWYRMSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(C)n(N=Cc2cn(C[C@@H]3CCOC3)nn2)c(=O)c1-c1nn[n-]n1 ZINC001591956398 1285022657 /nfs/dbraw/zinc/02/26/57/1285022657.db2.gz BINGDRFILWAVML-LBPRGKRZSA-N -1 1 369.389 0.155 20 30 FCEDMM Cc1cc(C)n(N=Cc2cn(C[C@H]3CCCO3)nn2)c(=O)c1-c1nn[n-]n1 ZINC001591957378 1285024717 /nfs/dbraw/zinc/02/47/17/1285024717.db2.gz XAZLFKYEAFQQIO-CYBMUJFWSA-N -1 1 369.389 0.298 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)N[C@H]1CCOc2ccccc21 ZINC001592334660 1285244668 /nfs/dbraw/zinc/24/46/68/1285244668.db2.gz DBLRXUJPWDQIEP-LBPRGKRZSA-N -1 1 364.369 0.883 20 30 FCEDMM Cc1nc(-c2nnn[n-]2)n(CC#CCN2C(=O)c3ccccc3C2=O)c1C ZINC001592338970 1285249542 /nfs/dbraw/zinc/24/95/42/1285249542.db2.gz BMAYJUDAEACCDJ-UHFFFAOYSA-N -1 1 361.365 0.980 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)n(CC#CCN2C(=O)c3ccccc3C2=O)c1C ZINC001592338970 1285249549 /nfs/dbraw/zinc/24/95/49/1285249549.db2.gz BMAYJUDAEACCDJ-UHFFFAOYSA-N -1 1 361.365 0.980 20 30 FCEDMM Cc1nsc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1C#N ZINC001592476100 1285418267 /nfs/dbraw/zinc/41/82/67/1285418267.db2.gz YHNCJVHJRFVRFR-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1C#N ZINC001592476100 1285418271 /nfs/dbraw/zinc/41/82/71/1285418271.db2.gz YHNCJVHJRFVRFR-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592679389 1285575937 /nfs/dbraw/zinc/57/59/37/1285575937.db2.gz PDCBFDYUHUIYOT-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592679389 1285575942 /nfs/dbraw/zinc/57/59/42/1285575942.db2.gz PDCBFDYUHUIYOT-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592679474 1285577522 /nfs/dbraw/zinc/57/75/22/1285577522.db2.gz RJRVEHZORKSUBA-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592679474 1285577525 /nfs/dbraw/zinc/57/75/25/1285577525.db2.gz RJRVEHZORKSUBA-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2nscc2Br)nc1-c1nn[nH]n1 ZINC001592681347 1285578305 /nfs/dbraw/zinc/57/83/05/1285578305.db2.gz BRHHLKKERYIIDP-UHFFFAOYSA-N -1 1 366.164 0.933 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)nc1-c1nn[nH]n1 ZINC001592683363 1285580258 /nfs/dbraw/zinc/58/02/58/1285580258.db2.gz PSVUQLKTOMIWHN-SCSAIBSYSA-N -1 1 365.568 0.521 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1-c1nn[nH]n1 ZINC001592683253 1285580352 /nfs/dbraw/zinc/58/03/52/1285580352.db2.gz OXWGIQQARFDAGF-SECBINFHSA-N -1 1 355.362 0.049 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CNC(=O)c2ccc(F)cc2F)nc1-c1nn[nH]n1 ZINC001592682982 1285580687 /nfs/dbraw/zinc/58/06/87/1285580687.db2.gz JCGLPYBLOAMYAS-UHFFFAOYSA-N -1 1 373.283 0.108 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592681775 1285581565 /nfs/dbraw/zinc/58/15/65/1285581565.db2.gz HNJJSYIPRAVWTB-XYPYZODXSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592681775 1285581569 /nfs/dbraw/zinc/58/15/69/1285581569.db2.gz HNJJSYIPRAVWTB-XYPYZODXSA-N -1 1 373.446 0.753 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ncc(Br)cc1F ZINC001592683894 1285581691 /nfs/dbraw/zinc/58/16/91/1285581691.db2.gz FNRRFPRGKLZRQY-UHFFFAOYSA-N -1 1 364.142 0.862 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)nc1 ZINC001592691082 1285585682 /nfs/dbraw/zinc/58/56/82/1285585682.db2.gz FVGOMVCSXFOYDH-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1cccnc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001592702837 1285590359 /nfs/dbraw/zinc/59/03/59/1285590359.db2.gz FAZILBFBKTUVON-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1cccnc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001592702837 1285590364 /nfs/dbraw/zinc/59/03/64/1285590364.db2.gz FAZILBFBKTUVON-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ccccc3F)C2=O)cnc1-c1nnn[n-]1 ZINC001592708165 1285594063 /nfs/dbraw/zinc/59/40/63/1285594063.db2.gz XTMRIVTXGYCAHF-SNVBAGLBSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ccccc3F)C2=O)cnc1-c1nn[n-]n1 ZINC001592708165 1285594068 /nfs/dbraw/zinc/59/40/68/1285594068.db2.gz XTMRIVTXGYCAHF-SNVBAGLBSA-N -1 1 365.332 0.885 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001592766925 1285688116 /nfs/dbraw/zinc/68/81/16/1285688116.db2.gz WDLRABOIJCSWDQ-SFHVURJKSA-N -1 1 364.413 0.499 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592766134 1285688777 /nfs/dbraw/zinc/68/87/77/1285688777.db2.gz DIBCAIWATNPTTP-CYBMUJFWSA-N -1 1 352.402 0.285 20 30 FCEDMM O=C(C#CC1CC1)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592768152 1285692014 /nfs/dbraw/zinc/69/20/14/1285692014.db2.gz FMINNEJDXVMDCL-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM O=C(C#CC1CC1)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592768152 1285692021 /nfs/dbraw/zinc/69/20/21/1285692021.db2.gz FMINNEJDXVMDCL-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001592768283 1285692044 /nfs/dbraw/zinc/69/20/44/1285692044.db2.gz GSARHZKKQVLVBD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001592768283 1285692054 /nfs/dbraw/zinc/69/20/54/1285692054.db2.gz GSARHZKKQVLVBD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(NCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1N=CC=CC1=O ZINC001593378260 1286097606 /nfs/dbraw/zinc/09/76/06/1286097606.db2.gz RRYCLKMPTWOZTP-DTQAZKPQSA-N -1 1 367.373 0.472 20 30 FCEDMM O=C(NCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1N=CC=CC1=O ZINC001593378260 1286097607 /nfs/dbraw/zinc/09/76/07/1286097607.db2.gz RRYCLKMPTWOZTP-DTQAZKPQSA-N -1 1 367.373 0.472 20 30 FCEDMM C#C[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001602696656 1287058529 /nfs/dbraw/zinc/05/85/29/1287058529.db2.gz LRYCMNBOEVMOPD-LLVKDONJSA-N -1 1 370.417 0.629 20 30 FCEDMM C#C[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001602696656 1287058537 /nfs/dbraw/zinc/05/85/37/1287058537.db2.gz LRYCMNBOEVMOPD-LLVKDONJSA-N -1 1 370.417 0.629 20 30 FCEDMM C#CC[C@H](COC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001602696685 1287060813 /nfs/dbraw/zinc/06/08/13/1287060813.db2.gz DFYZZTXIJPGPJQ-SECBINFHSA-N -1 1 366.359 0.092 20 30 FCEDMM C#CC[C@H](COC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001602696685 1287060822 /nfs/dbraw/zinc/06/08/22/1287060822.db2.gz DFYZZTXIJPGPJQ-SECBINFHSA-N -1 1 366.359 0.092 20 30 FCEDMM C#C[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC001602696657 1287060891 /nfs/dbraw/zinc/06/08/91/1287060891.db2.gz LRYCMNBOEVMOPD-NSHDSACASA-N -1 1 370.417 0.629 20 30 FCEDMM C#C[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC001602696657 1287060897 /nfs/dbraw/zinc/06/08/97/1287060897.db2.gz LRYCMNBOEVMOPD-NSHDSACASA-N -1 1 370.417 0.629 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001602703251 1287064313 /nfs/dbraw/zinc/06/43/13/1287064313.db2.gz MBEZGNLKBAMBQB-QWHCGFSZSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001602703252 1287067145 /nfs/dbraw/zinc/06/71/45/1287067145.db2.gz MBEZGNLKBAMBQB-STQMWFEESA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001602709990 1287068110 /nfs/dbraw/zinc/06/81/10/1287068110.db2.gz MRWRMWAIIFRCOW-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001602709990 1287068118 /nfs/dbraw/zinc/06/81/18/1287068118.db2.gz MRWRMWAIIFRCOW-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602706429 1287068260 /nfs/dbraw/zinc/06/82/60/1287068260.db2.gz UIZVOFXTXVSGKO-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602706429 1287068273 /nfs/dbraw/zinc/06/82/73/1287068273.db2.gz UIZVOFXTXVSGKO-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602710633 1287068807 /nfs/dbraw/zinc/06/88/07/1287068807.db2.gz XVLQVOYASPIPRY-ZDUSSCGKSA-N -1 1 356.434 0.921 20 30 FCEDMM C#CCN(CC)c1nnc(Cc2ccc(-c3nnn[n-]3)nc2)n1CCOC ZINC001602718331 1287074694 /nfs/dbraw/zinc/07/46/94/1287074694.db2.gz RSGHHYALMBKOBI-UHFFFAOYSA-N -1 1 367.417 0.550 20 30 FCEDMM C#CCN(CC)c1nnc(Cc2ccc(-c3nn[n-]n3)nc2)n1CCOC ZINC001602718331 1287074705 /nfs/dbraw/zinc/07/47/05/1287074705.db2.gz RSGHHYALMBKOBI-UHFFFAOYSA-N -1 1 367.417 0.550 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001602724529 1287082008 /nfs/dbraw/zinc/08/20/08/1287082008.db2.gz GNYHKJKULGJIPG-CMPLNLGQSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001602724529 1287082009 /nfs/dbraw/zinc/08/20/09/1287082009.db2.gz GNYHKJKULGJIPG-CMPLNLGQSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001602726315 1287085515 /nfs/dbraw/zinc/08/55/15/1287085515.db2.gz DMUPTIOYHGFQDJ-IJLUTSLNSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001602726315 1287085520 /nfs/dbraw/zinc/08/55/20/1287085520.db2.gz DMUPTIOYHGFQDJ-IJLUTSLNSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001602726136 1287086770 /nfs/dbraw/zinc/08/67/70/1287086770.db2.gz CHFXSYZIGZFCHT-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001602726136 1287086784 /nfs/dbraw/zinc/08/67/84/1287086784.db2.gz CHFXSYZIGZFCHT-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001602727412 1287092542 /nfs/dbraw/zinc/09/25/42/1287092542.db2.gz XJIFFNJXCBSZPP-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001602727412 1287092552 /nfs/dbraw/zinc/09/25/52/1287092552.db2.gz XJIFFNJXCBSZPP-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001602727443 1287093398 /nfs/dbraw/zinc/09/33/98/1287093398.db2.gz XURIPUGHPPUGOC-LBPRGKRZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001602727443 1287093403 /nfs/dbraw/zinc/09/34/03/1287093403.db2.gz XURIPUGHPPUGOC-LBPRGKRZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001602727427 1287093484 /nfs/dbraw/zinc/09/34/84/1287093484.db2.gz XMXCWBBNSPENHH-JQWIXIFHSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001602727427 1287093492 /nfs/dbraw/zinc/09/34/92/1287093492.db2.gz XMXCWBBNSPENHH-JQWIXIFHSA-N -1 1 356.390 0.002 20 30 FCEDMM C[S@](=O)c1ccc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001609368658 1289124970 /nfs/dbraw/zinc/12/49/70/1289124970.db2.gz QEZGXFFFKRCWFR-VWLOTQADSA-N -1 1 356.371 0.380 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001602737664 1287098608 /nfs/dbraw/zinc/09/86/08/1287098608.db2.gz VBTVAJAEGDQHMJ-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001602737664 1287098615 /nfs/dbraw/zinc/09/86/15/1287098615.db2.gz VBTVAJAEGDQHMJ-QWRGUYRKSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(NC(=O)C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001602739009 1287101836 /nfs/dbraw/zinc/10/18/36/1287101836.db2.gz WURKCKXRMVIIOC-LBPRGKRZSA-N -1 1 363.801 0.735 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)c1 ZINC001602745547 1287102450 /nfs/dbraw/zinc/10/24/50/1287102450.db2.gz JLVROEXDJLMLND-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)c1 ZINC001602745547 1287102456 /nfs/dbraw/zinc/10/24/56/1287102456.db2.gz JLVROEXDJLMLND-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001602742827 1287102468 /nfs/dbraw/zinc/10/24/68/1287102468.db2.gz LHPPPGINYKXRHM-LLVKDONJSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001602743031 1287103594 /nfs/dbraw/zinc/10/35/94/1287103594.db2.gz OWBUICBQFVBHPI-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001602743031 1287103599 /nfs/dbraw/zinc/10/35/99/1287103599.db2.gz OWBUICBQFVBHPI-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001602753258 1287104784 /nfs/dbraw/zinc/10/47/84/1287104784.db2.gz NGXWODDIHSIXAX-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001602753258 1287104789 /nfs/dbraw/zinc/10/47/89/1287104789.db2.gz NGXWODDIHSIXAX-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)OCC ZINC001602753508 1287105179 /nfs/dbraw/zinc/10/51/79/1287105179.db2.gz QHTDDQWJVVKUKN-ZDUSSCGKSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)OCC ZINC001602753508 1287105180 /nfs/dbraw/zinc/10/51/80/1287105180.db2.gz QHTDDQWJVVKUKN-ZDUSSCGKSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001602759760 1287107358 /nfs/dbraw/zinc/10/73/58/1287107358.db2.gz QMKPPYKQOARRLF-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=C(Cl)CNC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001602767576 1287107511 /nfs/dbraw/zinc/10/75/11/1287107511.db2.gz JFCXUVLULWDMOJ-UHFFFAOYSA-N -1 1 373.764 0.255 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001602759728 1287107614 /nfs/dbraw/zinc/10/76/14/1287107614.db2.gz PTFYLZMTMAKGHF-NEPJUHHUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001602759728 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C[C@H](C#N)S(=O)(=O)[N-][C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001193097881 852354708 /nfs/dbraw/zinc/35/47/08/852354708.db2.gz UTHUDIRVAWXYSJ-JFUSQASVSA-N -1 1 363.233 0.675 20 30 FCEDMM COC(=O)[C@@H](Cc1ccc(C#N)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193311280 852408965 /nfs/dbraw/zinc/40/89/65/852408965.db2.gz UUWSBLMZFGGGHH-LSDHHAIUSA-N -1 1 352.412 0.741 20 30 FCEDMM COC(=O)[C@H](CS)[N-]S(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201706299 853541461 /nfs/dbraw/zinc/54/14/61/853541461.db2.gz CQIIWGPDMSHLRH-UWVGGRQHSA-N -1 1 368.477 0.387 20 30 FCEDMM C[C@@H](C(=O)N=C1[N-]S(=O)(=O)c2ccccc21)n1nnnc1C(C)(C)C ZINC001254706165 857981863 /nfs/dbraw/zinc/98/18/63/857981863.db2.gz XPSOMEVCIQNESU-VIFPVBQESA-N -1 1 362.415 0.797 20 30 FCEDMM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)c2ccccc2C#N)nc1 ZINC001258319611 858188924 /nfs/dbraw/zinc/18/89/24/858188924.db2.gz AHDYREXHVOMHFV-UHFFFAOYSA-N -1 1 366.424 0.620 20 30 FCEDMM C#CCN1C[C@]2(CC1=O)COCCN(C(=O)c1cc([O-])cnc1Cl)C2 ZINC001275033366 860908851 /nfs/dbraw/zinc/90/88/51/860908851.db2.gz AKNSEPHEIQWJKJ-KRWDZBQOSA-N -1 1 363.801 0.765 20 30 FCEDMM N#CCCCN1CC2(CN(C(=O)c3cc([O-])cnc3Cl)C2)OCC1=O ZINC001275034325 860910260 /nfs/dbraw/zinc/91/02/60/860910260.db2.gz GOMQOBXOTFDYQS-UHFFFAOYSA-N -1 1 364.789 0.798 20 30 FCEDMM C#C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(Cl)cc1 ZINC001309559196 866837418 /nfs/dbraw/zinc/83/74/18/866837418.db2.gz TWJJHJBVDBXWEN-LLVKDONJSA-N -1 1 353.787 0.792 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(-n2cnnn2)c1 ZINC001317925543 867580778 /nfs/dbraw/zinc/58/07/78/867580778.db2.gz QPCDAZCJQZQJCE-UHFFFAOYSA-N -1 1 354.351 0.541 20 30 FCEDMM COc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1[N-]S(C)(=O)=O ZINC001319341708 867890833 /nfs/dbraw/zinc/89/08/33/867890833.db2.gz QANHJKBXXHBYHW-UHFFFAOYSA-N -1 1 350.360 0.169 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001321601679 868536636 /nfs/dbraw/zinc/53/66/36/868536636.db2.gz QLEAOAVRPLXZQB-GFCCVEGCSA-N -1 1 361.423 0.900 20 30 FCEDMM COC(=O)C1(NC(=O)c2ccc(C#N)c([O-])c2)CCS(=O)(=O)CC1 ZINC001321707684 868579760 /nfs/dbraw/zinc/57/97/60/868579760.db2.gz ZGGTVJRBSWGEJR-UHFFFAOYSA-N -1 1 352.368 0.114 20 30 FCEDMM C=C[C@H](COC)NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001347039323 872130585 /nfs/dbraw/zinc/13/05/85/872130585.db2.gz OHXADXILYVMUJT-LLVKDONJSA-N -1 1 365.352 0.221 20 30 FCEDMM C#CCCCCC(=O)N[C@@H](C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573282795 946698254 /nfs/dbraw/zinc/69/82/54/946698254.db2.gz AYOIXCOLDYKMST-STQMWFEESA-N -1 1 356.434 0.967 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573286415 946806149 /nfs/dbraw/zinc/80/61/49/946806149.db2.gz BEFUAVVIQBRAFK-GFCCVEGCSA-N -1 1 356.390 0.018 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573286415 946806161 /nfs/dbraw/zinc/80/61/61/946806161.db2.gz BEFUAVVIQBRAFK-GFCCVEGCSA-N -1 1 356.390 0.018 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573286554 946811557 /nfs/dbraw/zinc/81/15/57/946811557.db2.gz DTMQJQKWUKMVTC-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573286554 946811571 /nfs/dbraw/zinc/81/15/71/946811571.db2.gz DTMQJQKWUKMVTC-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573286980 946824302 /nfs/dbraw/zinc/82/43/02/946824302.db2.gz JTLPHTRHFPDCQK-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573286980 946824318 /nfs/dbraw/zinc/82/43/18/946824318.db2.gz JTLPHTRHFPDCQK-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573288448 946867455 /nfs/dbraw/zinc/86/74/55/946867455.db2.gz LFPMWOARJKRIIF-UHFFFAOYSA-N -1 1 362.397 0.846 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573288448 946867466 /nfs/dbraw/zinc/86/74/66/946867466.db2.gz LFPMWOARJKRIIF-UHFFFAOYSA-N -1 1 362.397 0.846 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573288552 946871151 /nfs/dbraw/zinc/87/11/51/946871151.db2.gz VJIFGLFVUUGFSI-GFCCVEGCSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573288552 946871163 /nfs/dbraw/zinc/87/11/63/946871163.db2.gz VJIFGLFVUUGFSI-GFCCVEGCSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288700 946878014 /nfs/dbraw/zinc/87/80/14/946878014.db2.gz YAICCIZAXGANGQ-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288700 946878023 /nfs/dbraw/zinc/87/80/23/946878023.db2.gz YAICCIZAXGANGQ-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001573289775 946892006 /nfs/dbraw/zinc/89/20/06/946892006.db2.gz PWACZCPNAUOYJV-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001573289775 946892020 /nfs/dbraw/zinc/89/20/20/946892020.db2.gz PWACZCPNAUOYJV-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573290153 946897872 /nfs/dbraw/zinc/89/78/72/946897872.db2.gz FVGXYPPCNGFOML-HNNXBMFYSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573290153 946897885 /nfs/dbraw/zinc/89/78/85/946897885.db2.gz FVGXYPPCNGFOML-HNNXBMFYSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573290810 946913484 /nfs/dbraw/zinc/91/34/84/946913484.db2.gz QJGDXNBQZSANIW-AATRIKPKSA-N -1 1 374.408 0.965 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573290810 946913488 /nfs/dbraw/zinc/91/34/88/946913488.db2.gz QJGDXNBQZSANIW-AATRIKPKSA-N -1 1 374.408 0.965 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573293384 946955142 /nfs/dbraw/zinc/95/51/42/946955142.db2.gz UVCGAMFPKVZPDU-NSHDSACASA-N -1 1 374.449 0.710 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573293384 946955147 /nfs/dbraw/zinc/95/51/47/946955147.db2.gz UVCGAMFPKVZPDU-NSHDSACASA-N -1 1 374.449 0.710 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573294370 946985159 /nfs/dbraw/zinc/98/51/59/946985159.db2.gz DMQFSNQUDYPFGB-HUBLWGQQSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573294370 946985167 /nfs/dbraw/zinc/98/51/67/946985167.db2.gz DMQFSNQUDYPFGB-HUBLWGQQSA-N -1 1 372.433 0.945 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573564174 946990157 /nfs/dbraw/zinc/99/01/57/946990157.db2.gz HJJBSQDBZGTEBB-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573564174 946990160 /nfs/dbraw/zinc/99/01/60/946990160.db2.gz HJJBSQDBZGTEBB-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000824936030 946998303 /nfs/dbraw/zinc/99/83/03/946998303.db2.gz DNNWKIAAPQIELK-VHSXEESVSA-N -1 1 357.378 0.339 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565610 947010306 /nfs/dbraw/zinc/01/03/06/947010306.db2.gz SPOMKQUEEYDLSC-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565610 947010313 /nfs/dbraw/zinc/01/03/13/947010313.db2.gz SPOMKQUEEYDLSC-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C=C(CNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001573295808 947028145 /nfs/dbraw/zinc/02/81/45/947028145.db2.gz UMDORLKXTVHTMO-UHFFFAOYSA-N -1 1 367.369 0.349 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573567419 947042918 /nfs/dbraw/zinc/04/29/18/947042918.db2.gz MXHGZFQRHWZLJA-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573567419 947042928 /nfs/dbraw/zinc/04/29/28/947042928.db2.gz MXHGZFQRHWZLJA-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573567690 947051364 /nfs/dbraw/zinc/05/13/64/947051364.db2.gz QYMZPKROKIGFEO-RYUDHWBXSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573567690 947051376 /nfs/dbraw/zinc/05/13/76/947051376.db2.gz QYMZPKROKIGFEO-RYUDHWBXSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573567655 947051451 /nfs/dbraw/zinc/05/14/51/947051451.db2.gz QCWLKSXULPFTPB-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573567655 947051461 /nfs/dbraw/zinc/05/14/61/947051461.db2.gz QCWLKSXULPFTPB-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567705 947051540 /nfs/dbraw/zinc/05/15/40/947051540.db2.gz RFRLMVUVMQONOX-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567705 947051554 /nfs/dbraw/zinc/05/15/54/947051554.db2.gz RFRLMVUVMQONOX-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573568088 947064742 /nfs/dbraw/zinc/06/47/42/947064742.db2.gz XODRNQFOEGHXPN-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573568088 947064755 /nfs/dbraw/zinc/06/47/55/947064755.db2.gz XODRNQFOEGHXPN-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573570055 947081052 /nfs/dbraw/zinc/08/10/52/947081052.db2.gz JDDKXEAYASAPIA-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573570055 947081067 /nfs/dbraw/zinc/08/10/67/947081067.db2.gz JDDKXEAYASAPIA-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573299731 947100075 /nfs/dbraw/zinc/10/00/75/947100075.db2.gz GZDAPODSHQYWBS-UHFFFAOYSA-N -1 1 374.449 0.780 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573299731 947100082 /nfs/dbraw/zinc/10/00/82/947100082.db2.gz GZDAPODSHQYWBS-UHFFFAOYSA-N -1 1 374.449 0.780 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573571921 947104699 /nfs/dbraw/zinc/10/46/99/947104699.db2.gz BLFYTQFWEKKKGW-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573571921 947104707 /nfs/dbraw/zinc/10/47/07/947104707.db2.gz BLFYTQFWEKKKGW-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573300169 947106947 /nfs/dbraw/zinc/10/69/47/947106947.db2.gz ONLWMYGGAFWTQA-JTQLQIEISA-N -1 1 351.436 0.877 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573572058 947109265 /nfs/dbraw/zinc/10/92/65/947109265.db2.gz DMTQGLVIPKVVMX-GWCFXTLKSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573572058 947109272 /nfs/dbraw/zinc/10/92/72/947109272.db2.gz DMTQGLVIPKVVMX-GWCFXTLKSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573572060 947109334 /nfs/dbraw/zinc/10/93/34/947109334.db2.gz DMTQGLVIPKVVMX-MFKMUULPSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573572060 947109339 /nfs/dbraw/zinc/10/93/39/947109339.db2.gz DMTQGLVIPKVVMX-MFKMUULPSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573574752 947132479 /nfs/dbraw/zinc/13/24/79/947132479.db2.gz UHRGXBAITFTKLC-JQWIXIFHSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573574752 947132481 /nfs/dbraw/zinc/13/24/81/947132481.db2.gz UHRGXBAITFTKLC-JQWIXIFHSA-N 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C[C@@H](C#N)C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573577959 947177936 /nfs/dbraw/zinc/17/79/36/947177936.db2.gz WIBBCZMHJGAQLF-NWDGAFQWSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573578156 947183417 /nfs/dbraw/zinc/18/34/17/947183417.db2.gz ZDPAWWSSABMZAS-RITPCOANSA-N -1 1 356.799 0.025 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309182 947190725 /nfs/dbraw/zinc/19/07/25/947190725.db2.gz DLWVRFKYXWGNEE-JKSUJKDBSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309182 947190736 /nfs/dbraw/zinc/19/07/36/947190736.db2.gz DLWVRFKYXWGNEE-JKSUJKDBSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573582654 947194403 /nfs/dbraw/zinc/19/44/03/947194403.db2.gz FWHLWNPLXHSIEC-NWDGAFQWSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573582654 947194408 /nfs/dbraw/zinc/19/44/08/947194408.db2.gz FWHLWNPLXHSIEC-NWDGAFQWSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573584158 947213103 /nfs/dbraw/zinc/21/31/03/947213103.db2.gz QSBBYIRZUHPHFD-MNOVXSKESA-N -1 1 361.431 0.405 20 30 FCEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573584263 947216952 /nfs/dbraw/zinc/21/69/52/947216952.db2.gz SHHLSDSLCALJBO-IJLUTSLNSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573584263 947216965 /nfs/dbraw/zinc/21/69/65/947216965.db2.gz SHHLSDSLCALJBO-IJLUTSLNSA-N -1 1 355.406 0.395 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573310291 947222232 /nfs/dbraw/zinc/22/22/32/947222232.db2.gz WCDLGWXETXZBCD-DIFFPNOSSA-N -1 1 374.449 0.989 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573310291 947222245 /nfs/dbraw/zinc/22/22/45/947222245.db2.gz WCDLGWXETXZBCD-DIFFPNOSSA-N -1 1 374.449 0.989 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573314639 947235869 /nfs/dbraw/zinc/23/58/69/947235869.db2.gz DQZZGXOFCAEGSI-QWHCGFSZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573314743 947237694 /nfs/dbraw/zinc/23/76/94/947237694.db2.gz FXWGDGSRWUIMKJ-YMEQNVIZSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573314743 947237708 /nfs/dbraw/zinc/23/77/08/947237708.db2.gz FXWGDGSRWUIMKJ-YMEQNVIZSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573314919 947241760 /nfs/dbraw/zinc/24/17/60/947241760.db2.gz HWILWJVPTIKHRT-NEPJUHHUSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573314919 947241769 /nfs/dbraw/zinc/24/17/69/947241769.db2.gz HWILWJVPTIKHRT-NEPJUHHUSA-N -1 1 360.422 0.490 20 30 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ZINC001198645403 1208276225 /nfs/dbraw/zinc/27/62/25/1208276225.db2.gz HPGCNOAXCPWYST-UHFFFAOYSA-N -1 1 363.378 0.749 20 30 FCEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccncc1OCC1CCOCC1 ZINC001199120461 1208319111 /nfs/dbraw/zinc/31/91/11/1208319111.db2.gz TUWFZGQXAWFPIS-UHFFFAOYSA-N -1 1 362.346 0.709 20 30 FCEDMM CCCCCCCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220840970 1225101375 /nfs/dbraw/zinc/10/13/75/1225101375.db2.gz BDQVGKCBJDODKM-CABCVRRESA-N -1 1 367.494 0.910 20 30 FCEDMM C#CCN1CCN(C(=O)CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000852757524 1209562290 /nfs/dbraw/zinc/56/22/90/1209562290.db2.gz FFZRZCXOQHCYMR-KGLIPLIRSA-N -1 1 374.407 0.153 20 30 FCEDMM N#CCCCN1C[C@@]2(F)CN(C(=O)c3ccc(F)c(=O)[n-]3)C[C@@]2(F)C1=O ZINC001274115286 1210885194 /nfs/dbraw/zinc/88/51/94/1210885194.db2.gz PFHCVFQEWMZUQV-HZPDHXFCSA-N -1 1 368.315 0.945 20 30 FCEDMM N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C3)c1 ZINC001095695381 1211450133 /nfs/dbraw/zinc/45/01/33/1211450133.db2.gz XRFUITDXDCCSGU-RDBSUJKOSA-N -1 1 366.381 0.690 20 30 FCEDMM C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000960649001 1213867782 /nfs/dbraw/zinc/86/77/82/1213867782.db2.gz WCSIEVVTLPNZPQ-ZNMIVQPWSA-N -1 1 363.462 0.512 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(=O)n4[n-]ccc4n3)C[C@H]21 ZINC000961808583 1214311989 /nfs/dbraw/zinc/31/19/89/1214311989.db2.gz AQGUEMAPGUHESL-AZSHCRGASA-N -1 1 369.425 0.160 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC000963266905 1214781577 /nfs/dbraw/zinc/78/15/77/1214781577.db2.gz ZITOOQMHIIRFSF-OLZOCXBDSA-N -1 1 360.414 0.573 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001049741852 1218543996 /nfs/dbraw/zinc/54/39/96/1218543996.db2.gz QXFJZFWVJIXUBM-TUVASFSCSA-N -1 1 361.446 0.265 20 30 FCEDMM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C3)cc1 ZINC001097444717 1218806631 /nfs/dbraw/zinc/80/66/31/1218806631.db2.gz DSGIQCFHFSVCIL-MCIONIFRSA-N -1 1 366.381 0.690 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)[C@H](C#N)C1 ZINC001227433409 1225874294 /nfs/dbraw/zinc/87/42/94/1225874294.db2.gz CZZHPGXJRIQQRZ-SFYZADRCSA-N -1 1 362.346 0.902 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000726981714 1219660517 /nfs/dbraw/zinc/66/05/17/1219660517.db2.gz BCAXJAOBCZUXRP-INIZCTEOSA-N -1 1 361.365 0.707 20 30 FCEDMM C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001101204517 1220223013 /nfs/dbraw/zinc/22/30/13/1220223013.db2.gz PNMUVBRVIKTKMF-KSMMKXTCSA-N -1 1 356.426 0.319 20 30 FCEDMM C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001101204518 1220223542 /nfs/dbraw/zinc/22/35/42/1220223542.db2.gz PNMUVBRVIKTKMF-LPMFXHHGSA-N -1 1 356.426 0.319 20 30 FCEDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC001139101923 1222540604 /nfs/dbraw/zinc/54/06/04/1222540604.db2.gz DULCRPLVWOLLFS-UHFFFAOYSA-N -1 1 355.354 0.989 20 30 FCEDMM O=C(C#Cc1ccccc1)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001142862869 1222852991 /nfs/dbraw/zinc/85/29/91/1222852991.db2.gz XMPOGUMJWNUTNT-HNNXBMFYSA-N -1 1 354.366 0.080 20 30 FCEDMM N#Cc1nc(N)c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)nc1C#N ZINC001155221378 1223028937 /nfs/dbraw/zinc/02/89/37/1223028937.db2.gz CLOLAFQANURKKB-UHFFFAOYSA-N -1 1 364.277 0.572 20 30 FCEDMM C=CCOCCN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](OC)C1 ZINC001213715362 1223838143 /nfs/dbraw/zinc/83/81/43/1223838143.db2.gz SMNKUGFDZXSKIO-TZMCWYRMSA-N -1 1 362.386 0.560 20 30 FCEDMM COCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000916870089 1245541613 /nfs/dbraw/zinc/54/16/13/1245541613.db2.gz FSNWOZJVTRFUQE-GFCCVEGCSA-N -1 1 374.422 0.697 20 30 FCEDMM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000994193932 1250266445 /nfs/dbraw/zinc/26/64/45/1250266445.db2.gz PACHSSKHVBYTPA-OAGGEKHMSA-N -1 1 370.453 0.709 20 30 FCEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC001329546499 1265778682 /nfs/dbraw/zinc/77/86/82/1265778682.db2.gz FAJXMTGFYDEWSA-SFHVURJKSA-N -1 1 353.382 0.972 20 30 FCEDMM C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078402583 1255405670 /nfs/dbraw/zinc/40/56/70/1255405670.db2.gz RTCMELITONKGPN-MCIONIFRSA-N -1 1 365.434 0.199 20 30 FCEDMM C=CCOc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)cc1 ZINC001079977666 1255689454 /nfs/dbraw/zinc/68/94/54/1255689454.db2.gz DLCNVXIGUQGZCN-CZUORRHYSA-N -1 1 371.441 0.924 20 30 FCEDMM Cc1nc(C(N)=O)c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)[n-]1 ZINC001234469221 1259560675 /nfs/dbraw/zinc/56/06/75/1259560675.db2.gz FTUKPVHNHRQTHR-UWVGGRQHSA-N -1 1 363.374 0.727 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cn(Cc2ccccn2)nn1 ZINC001252296021 1259781128 /nfs/dbraw/zinc/78/11/28/1259781128.db2.gz QGZSQZHUVXIEPC-UHFFFAOYSA-N -1 1 368.378 0.600 20 30 FCEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O ZINC001260332331 1260062838 /nfs/dbraw/zinc/06/28/38/1260062838.db2.gz UJOWKAUOLNRMCF-ZETCQYMHSA-N -1 1 354.132 0.383 20 30 FCEDMM C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001261614285 1260166702 /nfs/dbraw/zinc/16/67/02/1260166702.db2.gz OBHJHVNHPSJXSO-OLZOCXBDSA-N -1 1 371.359 0.387 20 30 FCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001262953511 1260335675 /nfs/dbraw/zinc/33/56/75/1260335675.db2.gz UFLUHUBPWWSLPB-UHFFFAOYSA-N -1 1 356.434 0.963 20 30 FCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001262953511 1260335683 /nfs/dbraw/zinc/33/56/83/1260335683.db2.gz UFLUHUBPWWSLPB-UHFFFAOYSA-N -1 1 356.434 0.963 20 30 FCEDMM N#Cc1cn(CCC(=O)NCc2nc3ccc(F)cc3[nH]2)c(=O)[n-]c1=O ZINC001293981449 1262724264 /nfs/dbraw/zinc/72/42/64/1262724264.db2.gz CDJAYBLFJNQMMY-UHFFFAOYSA-N -1 1 356.317 0.542 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2nnn[n-]2)n1C[C@H]1CCCCO1 ZINC001526415731 1266807425 /nfs/dbraw/zinc/80/74/25/1266807425.db2.gz LNXPPGBFWPSHNQ-CQSZACIVSA-N -1 1 354.418 0.414 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2nn[n-]n2)n1C[C@H]1CCCCO1 ZINC001526415731 1266807433 /nfs/dbraw/zinc/80/74/33/1266807433.db2.gz LNXPPGBFWPSHNQ-CQSZACIVSA-N -1 1 354.418 0.414 20 30 FCEDMM N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001542946373 1267514779 /nfs/dbraw/zinc/51/47/79/1267514779.db2.gz RIVNMLGOMTVDLX-CQSZACIVSA-N -1 1 369.385 0.780 20 30 FCEDMM C[C@H](CN1CCN(c2ccccc2)CC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001339590200 1268275332 /nfs/dbraw/zinc/27/53/32/1268275332.db2.gz UAEZLORQWVOAGC-CQSZACIVSA-N -1 1 368.441 0.568 20 30 FCEDMM O=C([O-])Cn1cc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)nn1 ZINC001341211227 1268862886 /nfs/dbraw/zinc/86/28/86/1268862886.db2.gz GRJVFCGEYQSJPX-DUXPYHPUSA-N -1 1 372.381 0.797 20 30 FCEDMM Cc1nc(C#N)c(N2CCC(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)CC2)o1 ZINC001344391067 1270167030 /nfs/dbraw/zinc/16/70/30/1270167030.db2.gz CEXKVNLWCMFAKU-SNVBAGLBSA-N -1 1 358.406 0.846 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580628638 1278579080 /nfs/dbraw/zinc/57/90/80/1278579080.db2.gz JOVSLNUSXGADMA-CMPLNLGQSA-N -1 1 355.406 0.552 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580628638 1278579089 /nfs/dbraw/zinc/57/90/89/1278579089.db2.gz JOVSLNUSXGADMA-CMPLNLGQSA-N -1 1 355.406 0.552 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573943020 1270948497 /nfs/dbraw/zinc/94/84/97/1270948497.db2.gz SWKOQYPDWKGIDH-QWHCGFSZSA-N -1 1 352.402 0.353 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580637624 1278600804 /nfs/dbraw/zinc/60/08/04/1278600804.db2.gz WWVGQUSTSKDXMS-PWSUYJOCSA-N -1 1 355.406 0.410 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580637624 1278600814 /nfs/dbraw/zinc/60/08/14/1278600814.db2.gz WWVGQUSTSKDXMS-PWSUYJOCSA-N -1 1 355.406 0.410 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574543112 1271324222 /nfs/dbraw/zinc/32/42/22/1271324222.db2.gz PKFIZIJVDIRAEJ-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574543112 1271324228 /nfs/dbraw/zinc/32/42/28/1271324228.db2.gz PKFIZIJVDIRAEJ-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546502 1271334923 /nfs/dbraw/zinc/33/49/23/1271334923.db2.gz XTYPQZCVADOPTA-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546502 1271334928 /nfs/dbraw/zinc/33/49/28/1271334928.db2.gz XTYPQZCVADOPTA-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580649484 1278627518 /nfs/dbraw/zinc/62/75/18/1278627518.db2.gz DAHDMDAJGPXBMT-LLVKDONJSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580649484 1278627530 /nfs/dbraw/zinc/62/75/30/1278627530.db2.gz DAHDMDAJGPXBMT-LLVKDONJSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580651084 1278630353 /nfs/dbraw/zinc/63/03/53/1278630353.db2.gz WSFJUJPOTWLTKE-CABZTGNLSA-N -1 1 355.406 0.456 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580651084 1278630365 /nfs/dbraw/zinc/63/03/65/1278630365.db2.gz WSFJUJPOTWLTKE-CABZTGNLSA-N -1 1 355.406 0.456 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574635842 1271434928 /nfs/dbraw/zinc/43/49/28/1271434928.db2.gz LPPFZZUABGIWGS-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574635842 1271434931 /nfs/dbraw/zinc/43/49/31/1271434931.db2.gz LPPFZZUABGIWGS-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)n1 ZINC001580651107 1278630884 /nfs/dbraw/zinc/63/08/84/1278630884.db2.gz XARIBOHLXWTFND-TZMCWYRMSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)n1 ZINC001580651107 1278630900 /nfs/dbraw/zinc/63/09/00/1278630900.db2.gz XARIBOHLXWTFND-TZMCWYRMSA-N -1 1 366.429 0.852 20 30 FCEDMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574803750 1271543304 /nfs/dbraw/zinc/54/33/04/1271543304.db2.gz OIZCWBRVOBUSFV-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574812434 1271553578 /nfs/dbraw/zinc/55/35/78/1271553578.db2.gz HTOGPRBVGCNHSH-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574812434 1271553585 /nfs/dbraw/zinc/55/35/85/1271553585.db2.gz HTOGPRBVGCNHSH-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575315432 1271915552 /nfs/dbraw/zinc/91/55/52/1271915552.db2.gz UPGDGHLGVYGOAK-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575315432 1271915562 /nfs/dbraw/zinc/91/55/62/1271915562.db2.gz UPGDGHLGVYGOAK-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001580678801 1278701808 /nfs/dbraw/zinc/70/18/08/1278701808.db2.gz GGTGMXKOQYMRFP-NQBHXWOUSA-N -1 1 369.433 0.703 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001580678801 1278701819 /nfs/dbraw/zinc/70/18/19/1278701819.db2.gz GGTGMXKOQYMRFP-NQBHXWOUSA-N -1 1 369.433 0.703 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684112 1278709502 /nfs/dbraw/zinc/70/95/02/1278709502.db2.gz BLUXACHDCMJTGY-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684112 1278709511 /nfs/dbraw/zinc/70/95/11/1278709511.db2.gz BLUXACHDCMJTGY-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684095 1278710045 /nfs/dbraw/zinc/71/00/45/1278710045.db2.gz BFYAVTYKFLXTGW-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684095 1278710051 /nfs/dbraw/zinc/71/00/51/1278710051.db2.gz BFYAVTYKFLXTGW-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057377 1272792706 /nfs/dbraw/zinc/79/27/06/1272792706.db2.gz JFSWUXZXPGXPND-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057377 1272792714 /nfs/dbraw/zinc/79/27/14/1272792714.db2.gz JFSWUXZXPGXPND-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059491 1272798115 /nfs/dbraw/zinc/79/81/15/1272798115.db2.gz ONRLWDUFQLXZPT-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059491 1272798125 /nfs/dbraw/zinc/79/81/25/1272798125.db2.gz ONRLWDUFQLXZPT-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061269 1272805106 /nfs/dbraw/zinc/80/51/06/1272805106.db2.gz SJCKAMGKAUUNRJ-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061269 1272805127 /nfs/dbraw/zinc/80/51/27/1272805127.db2.gz SJCKAMGKAUUNRJ-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580724773 1278813003 /nfs/dbraw/zinc/81/30/03/1278813003.db2.gz ZYQQDOZQXSVUPO-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580724773 1278813019 /nfs/dbraw/zinc/81/30/19/1278813019.db2.gz ZYQQDOZQXSVUPO-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576860969 1273822566 /nfs/dbraw/zinc/82/25/66/1273822566.db2.gz ASIHMXKLPYLSHP-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576860969 1273822575 /nfs/dbraw/zinc/82/25/75/1273822575.db2.gz ASIHMXKLPYLSHP-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCO[C@H](CC)C1 ZINC001577176579 1274225464 /nfs/dbraw/zinc/22/54/64/1274225464.db2.gz FFPYOCVOJRBVEN-MWLCHTKSSA-N -1 1 359.394 0.289 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577523018 1274469440 /nfs/dbraw/zinc/46/94/40/1274469440.db2.gz KLOYWZMNKBMUMT-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577523302 1274470059 /nfs/dbraw/zinc/47/00/59/1274470059.db2.gz QKJUJKVTFBHFNT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577523302 1274470064 /nfs/dbraw/zinc/47/00/64/1274470064.db2.gz QKJUJKVTFBHFNT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(CCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001578144354 1275442974 /nfs/dbraw/zinc/44/29/74/1275442974.db2.gz WVQYOTQPTPIQBS-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001578144354 1275442976 /nfs/dbraw/zinc/44/29/76/1275442976.db2.gz WVQYOTQPTPIQBS-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)c1cc(C#N)c[nH]1 ZINC001578167668 1275465893 /nfs/dbraw/zinc/46/58/93/1275465893.db2.gz NFJBZOHDOVUJBL-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)c1cc(C#N)c[nH]1 ZINC001578167668 1275465899 /nfs/dbraw/zinc/46/58/99/1275465899.db2.gz NFJBZOHDOVUJBL-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCOC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001578246256 1275547722 /nfs/dbraw/zinc/54/77/22/1275547722.db2.gz JCARFUAPLITYOX-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM CCOC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001578246256 1275547725 /nfs/dbraw/zinc/54/77/25/1275547725.db2.gz JCARFUAPLITYOX-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578448457 1275843431 /nfs/dbraw/zinc/84/34/31/1275843431.db2.gz BRBKUAVRHDMOGI-XHVZSJERSA-N -1 1 355.406 0.598 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C#N)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578448457 1275843440 /nfs/dbraw/zinc/84/34/40/1275843440.db2.gz BRBKUAVRHDMOGI-XHVZSJERSA-N -1 1 355.406 0.598 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578567964 1275998588 /nfs/dbraw/zinc/99/85/88/1275998588.db2.gz NKLDHVOZUWIBCK-VXGBXAGGSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578567964 1275998593 /nfs/dbraw/zinc/99/85/93/1275998593.db2.gz NKLDHVOZUWIBCK-VXGBXAGGSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001578589560 1276023388 /nfs/dbraw/zinc/02/33/88/1276023388.db2.gz VGKCYLOOLNKCOQ-LLVKDONJSA-N -1 1 355.406 0.417 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001578589560 1276023394 /nfs/dbraw/zinc/02/33/94/1276023394.db2.gz VGKCYLOOLNKCOQ-LLVKDONJSA-N -1 1 355.406 0.417 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)n1 ZINC001578596983 1276028097 /nfs/dbraw/zinc/02/80/97/1276028097.db2.gz HXYOMRAPLOSXFA-IJLUTSLNSA-N -1 1 369.433 0.567 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)n1 ZINC001578596983 1276028101 /nfs/dbraw/zinc/02/81/01/1276028101.db2.gz HXYOMRAPLOSXFA-IJLUTSLNSA-N -1 1 369.433 0.567 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001578598585 1276029469 /nfs/dbraw/zinc/02/94/69/1276029469.db2.gz WHBIHJSCKBGRFM-SDDRHHMPSA-N -1 1 367.417 0.273 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001578598585 1276029477 /nfs/dbraw/zinc/02/94/77/1276029477.db2.gz WHBIHJSCKBGRFM-SDDRHHMPSA-N -1 1 367.417 0.273 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001578878878 1276406577 /nfs/dbraw/zinc/40/65/77/1276406577.db2.gz DDRHMOYPZPBKAE-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001578878878 1276406581 /nfs/dbraw/zinc/40/65/81/1276406581.db2.gz DDRHMOYPZPBKAE-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578900426 1276442150 /nfs/dbraw/zinc/44/21/50/1276442150.db2.gz DFDBTFPBLOKBEG-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578900426 1276442153 /nfs/dbraw/zinc/44/21/53/1276442153.db2.gz DFDBTFPBLOKBEG-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578911379 1276451579 /nfs/dbraw/zinc/45/15/79/1276451579.db2.gz AIUSLJDUCQPVBR-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578911379 1276451581 /nfs/dbraw/zinc/45/15/81/1276451581.db2.gz AIUSLJDUCQPVBR-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578921404 1276463420 /nfs/dbraw/zinc/46/34/20/1276463420.db2.gz POTMJDZHIYUCFP-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578921404 1276463423 /nfs/dbraw/zinc/46/34/23/1276463423.db2.gz POTMJDZHIYUCFP-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579063769 1276672944 /nfs/dbraw/zinc/67/29/44/1276672944.db2.gz LANJUJBZSHRLID-INIZCTEOSA-N -1 1 363.381 0.868 20 30 FCEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579063769 1276672957 /nfs/dbraw/zinc/67/29/57/1276672957.db2.gz LANJUJBZSHRLID-INIZCTEOSA-N -1 1 363.381 0.868 20 30 FCEDMM CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579092129 1276730403 /nfs/dbraw/zinc/73/04/03/1276730403.db2.gz AYIUYDFXZNTZBV-SNVBAGLBSA-N -1 1 371.405 0.974 20 30 FCEDMM CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001579286987 1277110015 /nfs/dbraw/zinc/11/00/15/1277110015.db2.gz QXIQTHJEEOANDQ-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM CNC(=O)[C@H]1Cc2ccccc2CN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579386138 1277267484 /nfs/dbraw/zinc/26/74/84/1277267484.db2.gz AONXCFMHZNRJDT-CYBMUJFWSA-N -1 1 361.369 0.206 20 30 FCEDMM COC(=O)[C@H](CC1CCOCC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433577 1277301942 /nfs/dbraw/zinc/30/19/42/1277301942.db2.gz JZGGIGMQFKBRKV-JTQLQIEISA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433793 1277304391 /nfs/dbraw/zinc/30/43/91/1277304391.db2.gz PFVKNELBRKGKHF-UWVGGRQHSA-N -1 1 358.362 0.299 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@H](n2cnc(-c3nn[nH]n3)c2C#N)C1=O ZINC001603085533 1287306129 /nfs/dbraw/zinc/30/61/29/1287306129.db2.gz UWBKKRKMDIRNDH-VIFPVBQESA-N -1 1 358.362 0.050 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@H](n2cnc(-c3nn[n-]n3)c2C#N)C1=O ZINC001603085533 1287306134 /nfs/dbraw/zinc/30/61/34/1287306134.db2.gz UWBKKRKMDIRNDH-VIFPVBQESA-N -1 1 358.362 0.050 20 30 FCEDMM COc1c(C)[nH]cc(CN(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)c1=O ZINC001579874928 1277946651 /nfs/dbraw/zinc/94/66/51/1277946651.db2.gz NSHXBIHYJFSOFF-UHFFFAOYSA-N -1 1 353.346 0.170 20 30 FCEDMM COc1c(C)[nH]cc(CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)c1=O ZINC001579874928 1277946656 /nfs/dbraw/zinc/94/66/56/1277946656.db2.gz NSHXBIHYJFSOFF-UHFFFAOYSA-N -1 1 353.346 0.170 20 30 FCEDMM CC(C)C#CC(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001603186466 1287323507 /nfs/dbraw/zinc/32/35/07/1287323507.db2.gz RHBJOVVXWFTCKY-CQSZACIVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001603186466 1287323512 /nfs/dbraw/zinc/32/35/12/1287323512.db2.gz RHBJOVVXWFTCKY-CQSZACIVSA-N -1 1 354.418 0.965 20 30 FCEDMM Cc1cc(CN2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)on1 ZINC001580923378 1279133619 /nfs/dbraw/zinc/13/36/19/1279133619.db2.gz QFPBLIUFHQRWEA-UHFFFAOYSA-N -1 1 352.362 0.147 20 30 FCEDMM Cc1cc(CN2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)on1 ZINC001580923378 1279133620 /nfs/dbraw/zinc/13/36/20/1279133620.db2.gz QFPBLIUFHQRWEA-UHFFFAOYSA-N -1 1 352.362 0.147 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189986 1287327050 /nfs/dbraw/zinc/32/70/50/1287327050.db2.gz SXONYDJEBGWSNA-KBPBESRZSA-N -1 1 368.445 0.777 20 30 FCEDMM Cc1cc(N2CCC[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001580966447 1279168890 /nfs/dbraw/zinc/16/88/90/1279168890.db2.gz IYMDSKWGMGZLDO-NSHDSACASA-N -1 1 365.405 0.651 20 30 FCEDMM Cc1cc(N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)n(C)n1 ZINC001580966747 1279168902 /nfs/dbraw/zinc/16/89/02/1279168902.db2.gz MHGWQXKYDMYYNQ-NSHDSACASA-N -1 1 365.405 0.651 20 30 FCEDMM Cc1cc(N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)C2)n(C)n1 ZINC001580966747 1279168908 /nfs/dbraw/zinc/16/89/08/1279168908.db2.gz MHGWQXKYDMYYNQ-NSHDSACASA-N -1 1 365.405 0.651 20 30 FCEDMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC001603258925 1287341806 /nfs/dbraw/zinc/34/18/06/1287341806.db2.gz ROTQSBSFYRKBSX-UHFFFAOYSA-N -1 1 372.425 0.224 20 30 FCEDMM CC(C)N(C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N)c1ccccc1 ZINC001603316321 1287352300 /nfs/dbraw/zinc/35/23/00/1287352300.db2.gz XRADXAVFAKOGSM-UHFFFAOYSA-N -1 1 351.374 0.959 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC#CCN1C(=O)c2ccccc2C1=O ZINC001581410688 1279877836 /nfs/dbraw/zinc/87/78/36/1279877836.db2.gz RQPYLRVEVWMHRC-UHFFFAOYSA-N -1 1 372.348 0.543 20 30 FCEDMM Cc1nc(C#N)cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001581411450 1279881137 /nfs/dbraw/zinc/88/11/37/1279881137.db2.gz AXXRBGYVYWINIT-JTQLQIEISA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nc(C#N)cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001581411450 1279881150 /nfs/dbraw/zinc/88/11/50/1279881150.db2.gz AXXRBGYVYWINIT-JTQLQIEISA-N -1 1 363.389 0.342 20 30 FCEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001603540963 1287415486 /nfs/dbraw/zinc/41/54/86/1287415486.db2.gz DWYLFPFQWFMISL-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CNC(=O)c1c[nH]c(C#N)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001603540963 1287415494 /nfs/dbraw/zinc/41/54/94/1287415494.db2.gz DWYLFPFQWFMISL-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM Cn1cc([C@@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2(C)C)cn1 ZINC001581767162 1280483421 /nfs/dbraw/zinc/48/34/21/1280483421.db2.gz NOMWJWGACQDJGP-NSHDSACASA-N -1 1 350.390 0.892 20 30 FCEDMM Cn1nc2c(c1C(=O)Nc1nc(-c3nn[nH]n3)c(C#N)[n-]1)CSCC2 ZINC001581824643 1280569544 /nfs/dbraw/zinc/56/95/44/1280569544.db2.gz XDNYFOMAAVPKLZ-UHFFFAOYSA-N -1 1 356.375 0.237 20 30 FCEDMM Cn1ncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1C(F)(F)F ZINC001581830273 1280580105 /nfs/dbraw/zinc/58/01/05/1280580105.db2.gz NOCFZGGOBKXBHV-UHFFFAOYSA-N -1 1 352.240 0.466 20 30 FCEDMM Cn1nccc1[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001581838663 1280593303 /nfs/dbraw/zinc/59/33/03/1280593303.db2.gz ZXVFIZGNOOTQLT-BXKDBHETSA-N -1 1 352.362 0.594 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2COC[C@@H]2c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860309 1280612279 /nfs/dbraw/zinc/61/22/79/1280612279.db2.gz UUGSIOKUZYHXJM-GHMZBOCLSA-N -1 1 350.342 0.830 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCO[C@@H](c3ccccc3)O2)nc1-c1nn[nH]n1 ZINC001581860218 1280612818 /nfs/dbraw/zinc/61/28/18/1280612818.db2.gz PONGJNBLEDGOSF-IAQYHMDHSA-N -1 1 366.341 0.904 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc(-n3ccnn3)ccc2F)nc1-c1nn[nH]n1 ZINC001581860492 1280612838 /nfs/dbraw/zinc/61/28/38/1280612838.db2.gz CNXKLSOOBMFIIK-UHFFFAOYSA-N -1 1 365.292 0.434 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cncc(N3CCCC3)n2)nc1-c1nn[nH]n1 ZINC001581860628 1280614228 /nfs/dbraw/zinc/61/42/28/1280614228.db2.gz KRCAZIVBTKSZBA-UHFFFAOYSA-N -1 1 351.334 0.104 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581860463 1280614521 /nfs/dbraw/zinc/61/45/21/1280614521.db2.gz BCGIWKFSMRRYSW-UHFFFAOYSA-N -1 1 365.235 0.833 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CNC(=O)c2ccccc2Cl)nc1-c1nn[nH]n1 ZINC001581860333 1280614627 /nfs/dbraw/zinc/61/46/27/1280614627.db2.gz VWGRYACQCZLTRD-UHFFFAOYSA-N -1 1 371.748 0.483 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864709 1280618399 /nfs/dbraw/zinc/61/83/99/1280618399.db2.gz JTUAJDLUWGRLOX-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864709 1280618404 /nfs/dbraw/zinc/61/84/04/1280618404.db2.gz JTUAJDLUWGRLOX-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)ccn1 ZINC001581864973 1280618932 /nfs/dbraw/zinc/61/89/32/1280618932.db2.gz YMCGGLFLNRNOOX-UHFFFAOYSA-N -1 1 361.412 0.814 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864774 1280619106 /nfs/dbraw/zinc/61/91/06/1280619106.db2.gz NICVPASHOYHVEE-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864774 1280619111 /nfs/dbraw/zinc/61/91/11/1280619111.db2.gz NICVPASHOYHVEE-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(F)cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001581866539 1280620249 /nfs/dbraw/zinc/62/02/49/1280620249.db2.gz ILRLNYTWXFALMY-UHFFFAOYSA-N -1 1 370.304 0.169 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c[nH]1 ZINC001581866149 1280620341 /nfs/dbraw/zinc/62/03/41/1280620341.db2.gz UJIYZOOIKUODFJ-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c[nH]1 ZINC001581866149 1280620353 /nfs/dbraw/zinc/62/03/53/1280620353.db2.gz UJIYZOOIKUODFJ-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001581865630 1280620993 /nfs/dbraw/zinc/62/09/93/1280620993.db2.gz MNNHODBGGVXMBU-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001581865630 1280620996 /nfs/dbraw/zinc/62/09/96/1280620996.db2.gz MNNHODBGGVXMBU-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)c[nH]1 ZINC001581865587 1280621683 /nfs/dbraw/zinc/62/16/83/1280621683.db2.gz LJFLXGGFJSBHIQ-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)c[nH]1 ZINC001581865587 1280621692 /nfs/dbraw/zinc/62/16/92/1280621692.db2.gz LJFLXGGFJSBHIQ-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001581867690 1280622341 /nfs/dbraw/zinc/62/23/41/1280622341.db2.gz RIYJMORASSPZJR-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001581867690 1280622353 /nfs/dbraw/zinc/62/23/53/1280622353.db2.gz RIYJMORASSPZJR-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581867656 1280622545 /nfs/dbraw/zinc/62/25/45/1280622545.db2.gz QAMYUMIFFYWULP-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581867656 1280622551 /nfs/dbraw/zinc/62/25/51/1280622551.db2.gz QAMYUMIFFYWULP-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)[nH]1 ZINC001581868143 1280624591 /nfs/dbraw/zinc/62/45/91/1280624591.db2.gz KHKWOHCBNMNSHD-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)[nH]1 ZINC001581868143 1280624604 /nfs/dbraw/zinc/62/46/04/1280624604.db2.gz KHKWOHCBNMNSHD-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001581868264 1280624983 /nfs/dbraw/zinc/62/49/83/1280624983.db2.gz OJMWXLPPWRWHEW-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001581868264 1280624992 /nfs/dbraw/zinc/62/49/92/1280624992.db2.gz OJMWXLPPWRWHEW-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)cc2=O)cc1Cl ZINC001581872427 1280626989 /nfs/dbraw/zinc/62/69/89/1280626989.db2.gz AOGVLSFHCKEPCD-UHFFFAOYSA-N -1 1 356.733 0.587 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cnc1-c1nnn[n-]1 ZINC001581879781 1280636550 /nfs/dbraw/zinc/63/65/50/1280636550.db2.gz XFOACOZOFFQWOR-NWDGAFQWSA-N -1 1 361.369 0.234 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cnc1-c1nn[n-]n1 ZINC001581879781 1280636556 /nfs/dbraw/zinc/63/65/56/1280636556.db2.gz XFOACOZOFFQWOR-NWDGAFQWSA-N -1 1 361.369 0.234 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CS(=O)(=O)c3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880125 1280637702 /nfs/dbraw/zinc/63/77/02/1280637702.db2.gz ACSYOWBOFHKEBQ-SECBINFHSA-N -1 1 368.382 0.511 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CS(=O)(=O)c3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880125 1280637706 /nfs/dbraw/zinc/63/77/06/1280637706.db2.gz ACSYOWBOFHKEBQ-SECBINFHSA-N -1 1 368.382 0.511 20 30 FCEDMM N#Cc1nc(N2CCNC(=O)[C@@H]2CC2CCCCC2)cnc1-c1nnn[n-]1 ZINC001581879195 1280637875 /nfs/dbraw/zinc/63/78/75/1280637875.db2.gz AOYCVGBWUFGEAR-ZDUSSCGKSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1nc(N2CCNC(=O)[C@@H]2CC2CCCCC2)cnc1-c1nn[n-]n1 ZINC001581879195 1280637882 /nfs/dbraw/zinc/63/78/82/1280637882.db2.gz AOYCVGBWUFGEAR-ZDUSSCGKSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1nc(N2Cc3ncccc3N3CCC[C@H]3C2)cnc1-c1nnn[n-]1 ZINC001581879835 1280638352 /nfs/dbraw/zinc/63/83/52/1280638352.db2.gz ZUBDSCVVVABJCF-NSHDSACASA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1nc(N2Cc3ncccc3N3CCC[C@H]3C2)cnc1-c1nn[n-]n1 ZINC001581879835 1280638363 /nfs/dbraw/zinc/63/83/63/1280638363.db2.gz ZUBDSCVVVABJCF-NSHDSACASA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1nc(N2CCN(c3cccc(F)c3)C(=O)C2)cnc1-c1nnn[n-]1 ZINC001581879569 1280638474 /nfs/dbraw/zinc/63/84/74/1280638474.db2.gz PWTKCYOLQMRZTI-UHFFFAOYSA-N -1 1 365.332 0.521 20 30 FCEDMM N#Cc1nc(N2CCN(c3cccc(F)c3)C(=O)C2)cnc1-c1nn[n-]n1 ZINC001581879569 1280638481 /nfs/dbraw/zinc/63/84/81/1280638481.db2.gz PWTKCYOLQMRZTI-UHFFFAOYSA-N -1 1 365.332 0.521 20 30 FCEDMM N#Cc1nc(NC[C@]2(N3CCOCC3)CCSC2)cnc1-c1nnn[n-]1 ZINC001581880851 1280641539 /nfs/dbraw/zinc/64/15/39/1280641539.db2.gz XFFQWTDUDZBESD-OAHLLOKOSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1nc(NC[C@]2(N3CCOCC3)CCSC2)cnc1-c1nn[n-]n1 ZINC001581880851 1280641552 /nfs/dbraw/zinc/64/15/52/1280641552.db2.gz XFFQWTDUDZBESD-OAHLLOKOSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1ncc(N2CCC[C@@H](N3CCCC3=O)CC2)nc1-c1nn[n-]n1 ZINC001581881823 1280642488 /nfs/dbraw/zinc/64/24/88/1280642488.db2.gz BJJAZXHMTPXECD-LLVKDONJSA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1ncc(NC[C@H](CO)Cc2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001581882864 1280645750 /nfs/dbraw/zinc/64/57/50/1280645750.db2.gz KDVJMIQITTUDFQ-LLVKDONJSA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1ncc(NCc2ccc(N3CCNC3=O)cc2)nc1-c1nn[n-]n1 ZINC001581884303 1280650090 /nfs/dbraw/zinc/65/00/90/1280650090.db2.gz TZMUXQZLWYBBNL-UHFFFAOYSA-N -1 1 362.357 0.670 20 30 FCEDMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC001603629222 1287450960 /nfs/dbraw/zinc/45/09/60/1287450960.db2.gz BQQXKTFMFATWRH-SNVBAGLBSA-N -1 1 352.362 0.390 20 30 FCEDMM CC1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCC2(CC1)OCCO2 ZINC001603752597 1287487747 /nfs/dbraw/zinc/48/77/47/1287487747.db2.gz XCXWXYXJKPFBME-UHFFFAOYSA-N -1 1 358.362 0.723 20 30 FCEDMM C#C[C@@H](CC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588326066 1282418359 /nfs/dbraw/zinc/41/83/59/1282418359.db2.gz DBEWLTNNVAYZCX-RYUDHWBXSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@@H](CC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588326066 1282418362 /nfs/dbraw/zinc/41/83/62/1282418362.db2.gz DBEWLTNNVAYZCX-RYUDHWBXSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCOCC1 ZINC001588328630 1282421719 /nfs/dbraw/zinc/42/17/19/1282421719.db2.gz MGTRWINVSDWTSV-LBPRGKRZSA-N -1 1 365.390 0.713 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCOCC1 ZINC001588328630 1282421721 /nfs/dbraw/zinc/42/17/21/1282421721.db2.gz MGTRWINVSDWTSV-LBPRGKRZSA-N -1 1 365.390 0.713 20 30 FCEDMM C#C[C@H]1CCCCN1c1nnc(-c2cnc(-c3nnn[n-]3)cn2)n1CC ZINC001588331502 1282423765 /nfs/dbraw/zinc/42/37/65/1282423765.db2.gz BGVYQBAMQWOLMW-NSHDSACASA-N -1 1 350.390 0.927 20 30 FCEDMM C#C[C@H]1CCCCN1c1nnc(-c2cnc(-c3nn[n-]n3)cn2)n1CC ZINC001588331502 1282423766 /nfs/dbraw/zinc/42/37/66/1282423766.db2.gz BGVYQBAMQWOLMW-NSHDSACASA-N -1 1 350.390 0.927 20 30 FCEDMM C#C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001588332428 1282425169 /nfs/dbraw/zinc/42/51/69/1282425169.db2.gz JUZKDQNJHBSTBP-SNVBAGLBSA-N -1 1 362.371 0.809 20 30 FCEDMM C#C[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001588332428 1282425170 /nfs/dbraw/zinc/42/51/70/1282425170.db2.gz JUZKDQNJHBSTBP-SNVBAGLBSA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](CC)C1 ZINC001588336586 1282429674 /nfs/dbraw/zinc/42/96/74/1282429674.db2.gz QNCMVIIIGQDQBF-UONOGXRCSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588338132 1282430799 /nfs/dbraw/zinc/43/07/99/1282430799.db2.gz HIVDBRABUCKOHA-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001588338351 1282431302 /nfs/dbraw/zinc/43/13/02/1282431302.db2.gz JUNVPLVYCQHWGG-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001588338351 1282431306 /nfs/dbraw/zinc/43/13/06/1282431306.db2.gz JUNVPLVYCQHWGG-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001588339022 1282432654 /nfs/dbraw/zinc/43/26/54/1282432654.db2.gz UEQPRBMLDKDPRU-CQSZACIVSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001588339022 1282432659 /nfs/dbraw/zinc/43/26/59/1282432659.db2.gz UEQPRBMLDKDPRU-CQSZACIVSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588338666 1282433076 /nfs/dbraw/zinc/43/30/76/1282433076.db2.gz NTJSIGZSPPFHLV-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588338554 1282433289 /nfs/dbraw/zinc/43/32/89/1282433289.db2.gz FAYGSFQEOJNQHQ-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588338554 1282433293 /nfs/dbraw/zinc/43/32/93/1282433293.db2.gz FAYGSFQEOJNQHQ-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588339960 1282433865 /nfs/dbraw/zinc/43/38/65/1282433865.db2.gz ATUKTHRKFXIHNR-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588339960 1282433869 /nfs/dbraw/zinc/43/38/69/1282433869.db2.gz ATUKTHRKFXIHNR-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588339607 1282433905 /nfs/dbraw/zinc/43/39/05/1282433905.db2.gz QABZCQFSVDYIQC-KRWDZBQOSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588339607 1282433908 /nfs/dbraw/zinc/43/39/08/1282433908.db2.gz QABZCQFSVDYIQC-KRWDZBQOSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588339608 1282434094 /nfs/dbraw/zinc/43/40/94/1282434094.db2.gz QABZCQFSVDYIQC-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588339608 1282434098 /nfs/dbraw/zinc/43/40/98/1282434098.db2.gz QABZCQFSVDYIQC-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588340229 1282434360 /nfs/dbraw/zinc/43/43/60/1282434360.db2.gz JFTYFIKYXBUCOS-CYBMUJFWSA-N -1 1 354.418 0.711 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588340229 1282434369 /nfs/dbraw/zinc/43/43/69/1282434369.db2.gz JFTYFIKYXBUCOS-CYBMUJFWSA-N -1 1 354.418 0.711 20 30 FCEDMM C#CCCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001588340459 1282435798 /nfs/dbraw/zinc/43/57/98/1282435798.db2.gz QNWSVKMQGPMYHR-QGZVFWFLSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588340531 1282437063 /nfs/dbraw/zinc/43/70/63/1282437063.db2.gz SYHZIFGULQMKAP-XYYAHUGASA-N -1 1 352.402 0.259 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588340531 1282437067 /nfs/dbraw/zinc/43/70/67/1282437067.db2.gz SYHZIFGULQMKAP-XYYAHUGASA-N -1 1 352.402 0.259 20 30 FCEDMM C#CCCCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588340546 1282437115 /nfs/dbraw/zinc/43/71/15/1282437115.db2.gz UGCHNFJAOIMDNF-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588340546 1282437120 /nfs/dbraw/zinc/43/71/20/1282437120.db2.gz UGCHNFJAOIMDNF-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588343496 1282440693 /nfs/dbraw/zinc/44/06/93/1282440693.db2.gz MKEMJUUHGWXOHO-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCn1cc(I)c(C)c(-c2nn[n-]n2)c1=O ZINC001588347464 1282442706 /nfs/dbraw/zinc/44/27/06/1282442706.db2.gz QLRCIZFNGGNSFN-UHFFFAOYSA-N -1 1 355.139 0.965 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCCO1 ZINC001588350495 1282444455 /nfs/dbraw/zinc/44/44/55/1282444455.db2.gz ACNRQWCCZBBSAN-LLVKDONJSA-N -1 1 368.405 0.487 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354994 1282451652 /nfs/dbraw/zinc/45/16/52/1282451652.db2.gz BPSIAINULNRJPH-OLZOCXBDSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354994 1282451656 /nfs/dbraw/zinc/45/16/56/1282451656.db2.gz BPSIAINULNRJPH-OLZOCXBDSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588355533 1282455286 /nfs/dbraw/zinc/45/52/86/1282455286.db2.gz JIGLQTXVBKPMBD-MNOVXSKESA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588356697 1282461155 /nfs/dbraw/zinc/46/11/55/1282461155.db2.gz DZRIJRSBTCNGJJ-PNESKVBLSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588356697 1282461157 /nfs/dbraw/zinc/46/11/57/1282461157.db2.gz DZRIJRSBTCNGJJ-PNESKVBLSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588357535 1282464687 /nfs/dbraw/zinc/46/46/87/1282464687.db2.gz KNVNBOZQTPKRGS-LBPRGKRZSA-N -1 1 372.433 0.013 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588357800 1282466316 /nfs/dbraw/zinc/46/63/16/1282466316.db2.gz NGKYIOSVLTYBQP-VOMCLLRMSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588357800 1282466324 /nfs/dbraw/zinc/46/63/24/1282466324.db2.gz NGKYIOSVLTYBQP-VOMCLLRMSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358311 1282468531 /nfs/dbraw/zinc/46/85/31/1282468531.db2.gz QRHNIKBLJMGEAH-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358311 1282468537 /nfs/dbraw/zinc/46/85/37/1282468537.db2.gz QRHNIKBLJMGEAH-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358089 1282469143 /nfs/dbraw/zinc/46/91/43/1282469143.db2.gz PEKSTFDNRMNIPG-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358089 1282469148 /nfs/dbraw/zinc/46/91/48/1282469148.db2.gz PEKSTFDNRMNIPG-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588359870 1282476311 /nfs/dbraw/zinc/47/63/11/1282476311.db2.gz ZSQBFDTVYBLYEE-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588359870 1282476315 /nfs/dbraw/zinc/47/63/15/1282476315.db2.gz ZSQBFDTVYBLYEE-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588359667 1282476696 /nfs/dbraw/zinc/47/66/96/1282476696.db2.gz WFOORYJNEZYKCN-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588359667 1282476702 /nfs/dbraw/zinc/47/67/02/1282476702.db2.gz WFOORYJNEZYKCN-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N(C)CCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588360467 1282479118 /nfs/dbraw/zinc/47/91/18/1282479118.db2.gz QMTBKRBZEXSDHQ-UHFFFAOYSA-N -1 1 372.433 0.154 20 30 FCEDMM C#CCOCCC(=O)N(C)CCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588360467 1282479119 /nfs/dbraw/zinc/47/91/19/1282479119.db2.gz QMTBKRBZEXSDHQ-UHFFFAOYSA-N -1 1 372.433 0.154 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361128 1282482156 /nfs/dbraw/zinc/48/21/56/1282482156.db2.gz FBOIMXXZTUEPTL-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361128 1282482162 /nfs/dbraw/zinc/48/21/62/1282482162.db2.gz FBOIMXXZTUEPTL-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001588365130 1282491151 /nfs/dbraw/zinc/49/11/51/1282491151.db2.gz PDTOJKWCVPLTIA-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001588365130 1282491158 /nfs/dbraw/zinc/49/11/58/1282491158.db2.gz PDTOJKWCVPLTIA-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)cn1 ZINC001588364516 1282491440 /nfs/dbraw/zinc/49/14/40/1282491440.db2.gz HOWOMPAHXKNZJB-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)cn1 ZINC001588364516 1282491447 /nfs/dbraw/zinc/49/14/47/1282491447.db2.gz HOWOMPAHXKNZJB-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588371398 1282492899 /nfs/dbraw/zinc/49/28/99/1282492899.db2.gz GEZWMYHLOVMXKF-LLVKDONJSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001588368361 1282493763 /nfs/dbraw/zinc/49/37/63/1282493763.db2.gz TVZHMAIJEGYQDN-LBPRGKRZSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001588368361 1282493767 /nfs/dbraw/zinc/49/37/67/1282493767.db2.gz TVZHMAIJEGYQDN-LBPRGKRZSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001588380372 1282495582 /nfs/dbraw/zinc/49/55/82/1282495582.db2.gz CPCURUMOKWCQHQ-UHFFFAOYSA-N -1 1 361.369 0.408 20 30 FCEDMM C#Cc1cncc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001588380372 1282495589 /nfs/dbraw/zinc/49/55/89/1282495589.db2.gz CPCURUMOKWCQHQ-UHFFFAOYSA-N -1 1 361.369 0.408 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380325 1282496111 /nfs/dbraw/zinc/49/61/11/1282496111.db2.gz BKXXQKFMGMTWLN-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380325 1282496115 /nfs/dbraw/zinc/49/61/15/1282496115.db2.gz BKXXQKFMGMTWLN-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588377514 1282496341 /nfs/dbraw/zinc/49/63/41/1282496341.db2.gz YFDZYKFVGURBRL-HNNXBMFYSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588377514 1282496347 /nfs/dbraw/zinc/49/63/47/1282496347.db2.gz YFDZYKFVGURBRL-HNNXBMFYSA-N -1 1 374.408 0.576 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588392515 1282497225 /nfs/dbraw/zinc/49/72/25/1282497225.db2.gz CBJSVVRRXFKITQ-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588392515 1282497233 /nfs/dbraw/zinc/49/72/33/1282497233.db2.gz CBJSVVRRXFKITQ-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588411841 1282502043 /nfs/dbraw/zinc/50/20/43/1282502043.db2.gz LCACIIRMTDCLDC-BETUJISGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588411965 1282503098 /nfs/dbraw/zinc/50/30/98/1282503098.db2.gz NRAXQFDFLMMACY-LBPRGKRZSA-N -1 1 358.406 0.074 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001588415254 1282504936 /nfs/dbraw/zinc/50/49/36/1282504936.db2.gz GUIUWJVYTOLBTE-WCQYABFASA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001588415254 1282504942 /nfs/dbraw/zinc/50/49/42/1282504942.db2.gz GUIUWJVYTOLBTE-WCQYABFASA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588415052 1282504960 /nfs/dbraw/zinc/50/49/60/1282504960.db2.gz BEAVRCPYKMHKNR-NEPJUHHUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1O ZINC001588415253 1282506351 /nfs/dbraw/zinc/50/63/51/1282506351.db2.gz GUIUWJVYTOLBTE-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1O ZINC001588415253 1282506361 /nfs/dbraw/zinc/50/63/61/1282506361.db2.gz GUIUWJVYTOLBTE-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588443103 1282506740 /nfs/dbraw/zinc/50/67/40/1282506740.db2.gz NBFYMWKFNIUZQK-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588443103 1282506750 /nfs/dbraw/zinc/50/67/50/1282506750.db2.gz NBFYMWKFNIUZQK-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)C1 ZINC001588456696 1282511598 /nfs/dbraw/zinc/51/15/98/1282511598.db2.gz ZAQNKCNYAGKOBK-DGCLKSJQSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)C1 ZINC001588456696 1282511609 /nfs/dbraw/zinc/51/16/09/1282511609.db2.gz ZAQNKCNYAGKOBK-DGCLKSJQSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588467833 1282514015 /nfs/dbraw/zinc/51/40/15/1282514015.db2.gz DWIQYLHPHOMCFC-RYUDHWBXSA-N -1 1 356.434 0.797 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468475 1282514190 /nfs/dbraw/zinc/51/41/90/1282514190.db2.gz KZRXQTABTNSLRW-KRWDZBQOSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468477 1282514988 /nfs/dbraw/zinc/51/49/88/1282514988.db2.gz KZRXQTABTNSLRW-QGZVFWFLSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588469252 1282515068 /nfs/dbraw/zinc/51/50/68/1282515068.db2.gz ZMPQMIXJYFPPAB-LLVKDONJSA-N -1 1 360.422 0.124 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588469252 1282515081 /nfs/dbraw/zinc/51/50/81/1282515081.db2.gz ZMPQMIXJYFPPAB-LLVKDONJSA-N -1 1 360.422 0.124 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1nccnc1-c1nnn[n-]1 ZINC001588477747 1282517191 /nfs/dbraw/zinc/51/71/91/1282517191.db2.gz DNHRPVCCOYYDKR-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1nccnc1-c1nn[n-]n1 ZINC001588477747 1282517200 /nfs/dbraw/zinc/51/72/00/1282517200.db2.gz DNHRPVCCOYYDKR-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588481399 1282520641 /nfs/dbraw/zinc/52/06/41/1282520641.db2.gz KNBKWENYWVBKLI-PJXYFTJBSA-N -1 1 354.418 0.728 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588481399 1282520650 /nfs/dbraw/zinc/52/06/50/1282520650.db2.gz KNBKWENYWVBKLI-PJXYFTJBSA-N -1 1 354.418 0.728 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588493061 1282522271 /nfs/dbraw/zinc/52/22/71/1282522271.db2.gz AAVHPSHTZVVNCT-DLBZAZTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588493061 1282522275 /nfs/dbraw/zinc/52/22/75/1282522275.db2.gz AAVHPSHTZVVNCT-DLBZAZTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588495305 1282522323 /nfs/dbraw/zinc/52/23/23/1282522323.db2.gz BMXURRZZCNGWPI-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588495305 1282522331 /nfs/dbraw/zinc/52/23/31/1282522331.db2.gz BMXURRZZCNGWPI-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588493064 1282523060 /nfs/dbraw/zinc/52/30/60/1282523060.db2.gz AAVHPSHTZVVNCT-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588493064 1282523071 /nfs/dbraw/zinc/52/30/71/1282523071.db2.gz AAVHPSHTZVVNCT-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588498483 1282525692 /nfs/dbraw/zinc/52/56/92/1282525692.db2.gz AIPWDHMPEPRJQD-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588498483 1282525696 /nfs/dbraw/zinc/52/56/96/1282525696.db2.gz AIPWDHMPEPRJQD-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588497261 1282525838 /nfs/dbraw/zinc/52/58/38/1282525838.db2.gz YTXITMLXAHGVKX-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588497261 1282525848 /nfs/dbraw/zinc/52/58/48/1282525848.db2.gz YTXITMLXAHGVKX-SJKOYZFVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588498727 1282528246 /nfs/dbraw/zinc/52/82/46/1282528246.db2.gz CORXTJAWSWRXQO-SJKOYZFVSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588498727 1282528252 /nfs/dbraw/zinc/52/82/52/1282528252.db2.gz CORXTJAWSWRXQO-SJKOYZFVSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588500215 1282532107 /nfs/dbraw/zinc/53/21/07/1282532107.db2.gz SSSBYVSQIODREV-GUYCJALGSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588500215 1282532112 /nfs/dbraw/zinc/53/21/12/1282532112.db2.gz SSSBYVSQIODREV-GUYCJALGSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588501884 1282537866 /nfs/dbraw/zinc/53/78/66/1282537866.db2.gz PBDBCTXOOXAOGF-SJKOYZFVSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588501884 1282537873 /nfs/dbraw/zinc/53/78/73/1282537873.db2.gz PBDBCTXOOXAOGF-SJKOYZFVSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588502907 1282540815 /nfs/dbraw/zinc/54/08/15/1282540815.db2.gz UYOGPFVODLLOJG-BDJLRTHQSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588502907 1282540828 /nfs/dbraw/zinc/54/08/28/1282540828.db2.gz UYOGPFVODLLOJG-BDJLRTHQSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588502528 1282541390 /nfs/dbraw/zinc/54/13/90/1282541390.db2.gz SXSUPTOTSAHBTH-SJCJKPOMSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588502528 1282541398 /nfs/dbraw/zinc/54/13/98/1282541398.db2.gz SXSUPTOTSAHBTH-SJCJKPOMSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588505278 1282545963 /nfs/dbraw/zinc/54/59/63/1282545963.db2.gz OQILHQIHVFAMPX-ZDUSSCGKSA-N -1 1 371.854 0.856 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588518673 1282554925 /nfs/dbraw/zinc/55/49/25/1282554925.db2.gz ITSAYVAUFRONFY-QWHCGFSZSA-N -1 1 374.449 0.799 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588518673 1282554935 /nfs/dbraw/zinc/55/49/35/1282554935.db2.gz ITSAYVAUFRONFY-QWHCGFSZSA-N -1 1 374.449 0.799 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001588522492 1282555142 /nfs/dbraw/zinc/55/51/42/1282555142.db2.gz ABPKPFXNXJNVGT-MRVWCRGKSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001588522492 1282555150 /nfs/dbraw/zinc/55/51/50/1282555150.db2.gz ABPKPFXNXJNVGT-MRVWCRGKSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588520404 1282555365 /nfs/dbraw/zinc/55/53/65/1282555365.db2.gz AUFHSHYLSVFGNO-HIFPTAJRSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588523158 1282555481 /nfs/dbraw/zinc/55/54/81/1282555481.db2.gz IRFATPFOGDFPHB-IACUBPJLSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588523158 1282555489 /nfs/dbraw/zinc/55/54/89/1282555489.db2.gz IRFATPFOGDFPHB-IACUBPJLSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588521548 1282555755 /nfs/dbraw/zinc/55/57/55/1282555755.db2.gz PHZQXAUBIXUBMU-JHJVBQTASA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588524516 1282557809 /nfs/dbraw/zinc/55/78/09/1282557809.db2.gz RBTALDWAGPWGNO-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588524516 1282557820 /nfs/dbraw/zinc/55/78/20/1282557820.db2.gz RBTALDWAGPWGNO-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588524063 1282558243 /nfs/dbraw/zinc/55/82/43/1282558243.db2.gz OJLVVZJOMUKGEY-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588524063 1282558253 /nfs/dbraw/zinc/55/82/53/1282558253.db2.gz OJLVVZJOMUKGEY-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588525423 1282559790 /nfs/dbraw/zinc/55/97/90/1282559790.db2.gz XIWGPMUSEZTSSN-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588525423 1282559799 /nfs/dbraw/zinc/55/97/99/1282559799.db2.gz XIWGPMUSEZTSSN-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588533236 1282560140 /nfs/dbraw/zinc/56/01/40/1282560140.db2.gz RZIKMRNGRIVHQC-YPMHNXCESA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588533236 1282560151 /nfs/dbraw/zinc/56/01/51/1282560151.db2.gz RZIKMRNGRIVHQC-YPMHNXCESA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588538088 1282563620 /nfs/dbraw/zinc/56/36/20/1282563620.db2.gz IDLZQKICJSBDDS-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588544784 1282564755 /nfs/dbraw/zinc/56/47/55/1282564755.db2.gz UCVOXIMOIDJMGH-JOCQHMNTSA-N -1 1 354.418 0.906 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)CCO1 ZINC001588572712 1282570438 /nfs/dbraw/zinc/57/04/38/1282570438.db2.gz PAOJPLXQCZKMNU-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)CCO1 ZINC001588572712 1282570449 /nfs/dbraw/zinc/57/04/49/1282570449.db2.gz PAOJPLXQCZKMNU-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCC[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(=O)OCC ZINC001588578628 1282572583 /nfs/dbraw/zinc/57/25/83/1282572583.db2.gz COUSENFJKCIWND-JTQLQIEISA-N -1 1 366.403 0.438 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608312 1282583445 /nfs/dbraw/zinc/58/34/45/1282583445.db2.gz JOUIPKFAVMNLBN-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608312 1282583455 /nfs/dbraw/zinc/58/34/55/1282583455.db2.gz JOUIPKFAVMNLBN-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588608225 1282583679 /nfs/dbraw/zinc/58/36/79/1282583679.db2.gz HVICHZLWDWHAGL-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588608225 1282583685 /nfs/dbraw/zinc/58/36/85/1282583685.db2.gz HVICHZLWDWHAGL-YVEFUNNKSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588611811 1282590056 /nfs/dbraw/zinc/59/00/56/1282590056.db2.gz XMQPIOAIDSTSHD-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588611811 1282590067 /nfs/dbraw/zinc/59/00/67/1282590067.db2.gz XMQPIOAIDSTSHD-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588615795 1282593619 /nfs/dbraw/zinc/59/36/19/1282593619.db2.gz ICXRHFGRJDEYOJ-NSHDSACASA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001588616394 1282596036 /nfs/dbraw/zinc/59/60/36/1282596036.db2.gz GAGVTQONGPAKRY-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001588616394 1282596045 /nfs/dbraw/zinc/59/60/45/1282596045.db2.gz GAGVTQONGPAKRY-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616657 1282598910 /nfs/dbraw/zinc/59/89/10/1282598910.db2.gz LDMHGWLFJXOYFT-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616657 1282598917 /nfs/dbraw/zinc/59/89/17/1282598917.db2.gz LDMHGWLFJXOYFT-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588617743 1282599318 /nfs/dbraw/zinc/59/93/18/1282599318.db2.gz YYLUWDSPEWPVAO-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588617743 1282599328 /nfs/dbraw/zinc/59/93/28/1282599328.db2.gz YYLUWDSPEWPVAO-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588617269 1282599707 /nfs/dbraw/zinc/59/97/07/1282599707.db2.gz SFNOXZOFDMDSCG-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588617269 1282599722 /nfs/dbraw/zinc/59/97/22/1282599722.db2.gz SFNOXZOFDMDSCG-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588667320 1282624220 /nfs/dbraw/zinc/62/42/20/1282624220.db2.gz WACMHMBTVGIPAN-OCCSQVGLSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588667320 1282624235 /nfs/dbraw/zinc/62/42/35/1282624235.db2.gz WACMHMBTVGIPAN-OCCSQVGLSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](CC)C1 ZINC001588667069 1282625510 /nfs/dbraw/zinc/62/55/10/1282625510.db2.gz QQPAACZEPPYRFM-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](CC)C1 ZINC001588667069 1282625516 /nfs/dbraw/zinc/62/55/16/1282625516.db2.gz QQPAACZEPPYRFM-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588671852 1282626811 /nfs/dbraw/zinc/62/68/11/1282626811.db2.gz OIIWNOMEGDAZNN-CYBMUJFWSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588671852 1282626827 /nfs/dbraw/zinc/62/68/27/1282626827.db2.gz OIIWNOMEGDAZNN-CYBMUJFWSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588674449 1282629462 /nfs/dbraw/zinc/62/94/62/1282629462.db2.gz OBFDSSDFRRPJNH-CYBMUJFWSA-N -1 1 372.433 0.500 20 30 FCEDMM C=CCOCC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588674449 1282629475 /nfs/dbraw/zinc/62/94/75/1282629475.db2.gz OBFDSSDFRRPJNH-CYBMUJFWSA-N -1 1 372.433 0.500 20 30 FCEDMM C=CCOCC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588674292 1282630857 /nfs/dbraw/zinc/63/08/57/1282630857.db2.gz MJUDUEHCWYQWAE-SSDOTTSWSA-N -1 1 373.826 0.068 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588674173 1282631006 /nfs/dbraw/zinc/63/10/06/1282631006.db2.gz KDWSDGIKQRXWQR-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588674173 1282631020 /nfs/dbraw/zinc/63/10/20/1282631020.db2.gz KDWSDGIKQRXWQR-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001588674169 1282631279 /nfs/dbraw/zinc/63/12/79/1282631279.db2.gz JZPWXEXFXMHBQK-LBPRGKRZSA-N -1 1 370.417 0.334 20 30 FCEDMM C=CCOCC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588674262 1282632566 /nfs/dbraw/zinc/63/25/66/1282632566.db2.gz MCDZMIVAXGNUJP-UHFFFAOYSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588674262 1282632578 /nfs/dbraw/zinc/63/25/78/1282632578.db2.gz MCDZMIVAXGNUJP-UHFFFAOYSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588683018 1282645125 /nfs/dbraw/zinc/64/51/25/1282645125.db2.gz WCOBVKVNLGCRIF-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588683018 1282645135 /nfs/dbraw/zinc/64/51/35/1282645135.db2.gz WCOBVKVNLGCRIF-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCONC(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588689239 1282648643 /nfs/dbraw/zinc/64/86/43/1282648643.db2.gz JGVCCSQGWNHDLZ-UHFFFAOYSA-N -1 1 350.408 0.581 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@@H](CF)C1 ZINC001588698735 1282652575 /nfs/dbraw/zinc/65/25/75/1282652575.db2.gz ADOMUBGZWCWLOI-JTQLQIEISA-N -1 1 356.369 0.897 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@@H](CF)C1 ZINC001588698735 1282652588 /nfs/dbraw/zinc/65/25/88/1282652588.db2.gz ADOMUBGZWCWLOI-JTQLQIEISA-N -1 1 356.369 0.897 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)CC1=CCCOC1 ZINC001588700186 1282653593 /nfs/dbraw/zinc/65/35/93/1282653593.db2.gz RIXLAOCDIYWZOW-UHFFFAOYSA-N -1 1 368.405 0.817 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001588699181 1282654546 /nfs/dbraw/zinc/65/45/46/1282654546.db2.gz FFIKODGFOVMNAY-QWRGUYRKSA-N -1 1 356.394 0.648 20 30 FCEDMM C=CCn1cc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001588712709 1282655886 /nfs/dbraw/zinc/65/58/86/1282655886.db2.gz CALMTCYLQFDNGP-SNVBAGLBSA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001588712709 1282655904 /nfs/dbraw/zinc/65/59/04/1282655904.db2.gz CALMTCYLQFDNGP-SNVBAGLBSA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001588709311 1282656985 /nfs/dbraw/zinc/65/69/85/1282656985.db2.gz QBAZPCBNAKFHEC-SDDRHHMPSA-N -1 1 369.437 0.765 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588718442 1282666040 /nfs/dbraw/zinc/66/60/40/1282666040.db2.gz LRWJHVRTWCHBKE-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588718442 1282666049 /nfs/dbraw/zinc/66/60/49/1282666049.db2.gz LRWJHVRTWCHBKE-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588721786 1282667514 /nfs/dbraw/zinc/66/75/14/1282667514.db2.gz NCHWIMWPWZOVFH-TUAOUCFPSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588721919 1282668543 /nfs/dbraw/zinc/66/85/43/1282668543.db2.gz QGBQPVIUBFEGRA-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588723827 1282670224 /nfs/dbraw/zinc/67/02/24/1282670224.db2.gz QVACHJGFIJSSNC-OCCSQVGLSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588723827 1282670238 /nfs/dbraw/zinc/67/02/38/1282670238.db2.gz QVACHJGFIJSSNC-OCCSQVGLSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001588723314 1282670616 /nfs/dbraw/zinc/67/06/16/1282670616.db2.gz KYLUOYJKSZZBEC-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588723302 1282671775 /nfs/dbraw/zinc/67/17/75/1282671775.db2.gz KQPHWLKDHCEBBX-OLZOCXBDSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@H](CO)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001588728876 1282676298 /nfs/dbraw/zinc/67/62/98/1282676298.db2.gz WXQQXSFTVFARNR-MRVPVSSYSA-N -1 1 351.413 0.907 20 30 FCEDMM CC#CCCCC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588738150 1282680108 /nfs/dbraw/zinc/68/01/08/1282680108.db2.gz SIPJZUPCIVQKMU-CHWSQXEVSA-N -1 1 354.418 0.531 20 30 FCEDMM CC#CCCCC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588737854 1282680362 /nfs/dbraw/zinc/68/03/62/1282680362.db2.gz PCGTZBJVRVUZRW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM CC#CCCCC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588737854 1282680376 /nfs/dbraw/zinc/68/03/76/1282680376.db2.gz PCGTZBJVRVUZRW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM CC#CCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588746210 1282684401 /nfs/dbraw/zinc/68/44/01/1282684401.db2.gz NVIHLFPRTKZKQJ-UHFFFAOYSA-N -1 1 370.417 0.977 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588929183 1282729469 /nfs/dbraw/zinc/72/94/69/1282729469.db2.gz PFEBUFRISGVQMG-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588929183 1282729475 /nfs/dbraw/zinc/72/94/75/1282729475.db2.gz PFEBUFRISGVQMG-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C(=O)NC1(C#N)CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588970411 1282745039 /nfs/dbraw/zinc/74/50/39/1282745039.db2.gz HYBISDNVJSIVAX-VIFPVBQESA-N -1 1 359.350 0.875 20 30 FCEDMM C[C@@H](C(=O)NCCOc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588991391 1282757688 /nfs/dbraw/zinc/75/76/88/1282757688.db2.gz GBIDYPUOQXLMCP-JTQLQIEISA-N -1 1 353.346 0.086 20 30 FCEDMM C[C@H](C(=O)Nc1ccc(F)cc1OCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589017688 1282768283 /nfs/dbraw/zinc/76/82/83/1282768283.db2.gz GXBBPEKPCVIJJY-MRVPVSSYSA-N -1 1 357.309 0.699 20 30 FCEDMM C[C@@H](C(=O)OCCCC1(C#N)CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028895 1282776255 /nfs/dbraw/zinc/77/62/55/1282776255.db2.gz ZIDNUYFDCIZTFL-NSHDSACASA-N -1 1 360.378 0.663 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589068485 1282791603 /nfs/dbraw/zinc/79/16/03/1282791603.db2.gz SXEWIRZXVQNEST-LBPRGKRZSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589068485 1282791612 /nfs/dbraw/zinc/79/16/12/1282791612.db2.gz SXEWIRZXVQNEST-LBPRGKRZSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589384203 1282857454 /nfs/dbraw/zinc/85/74/54/1282857454.db2.gz CGFZFUZJRMLUEX-UKRRQHHQSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589384203 1282857461 /nfs/dbraw/zinc/85/74/61/1282857461.db2.gz CGFZFUZJRMLUEX-UKRRQHHQSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589384675 1282861003 /nfs/dbraw/zinc/86/10/03/1282861003.db2.gz NENYGWSDCOFLPN-UONOGXRCSA-N -1 1 368.445 0.777 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001589387045 1282862701 /nfs/dbraw/zinc/86/27/01/1282862701.db2.gz GJUNHOKRMYKOHJ-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001589387045 1282862711 /nfs/dbraw/zinc/86/27/11/1282862711.db2.gz GJUNHOKRMYKOHJ-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001589388234 1282865990 /nfs/dbraw/zinc/86/59/90/1282865990.db2.gz VIJSXIYZWMYVPU-KRWDZBQOSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001589388234 1282866002 /nfs/dbraw/zinc/86/60/02/1282866002.db2.gz VIJSXIYZWMYVPU-KRWDZBQOSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001589388474 1282867428 /nfs/dbraw/zinc/86/74/28/1282867428.db2.gz XXDWZPSMYVBNLI-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)C#CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001589388474 1282867438 /nfs/dbraw/zinc/86/74/38/1282867438.db2.gz XXDWZPSMYVBNLI-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)[C@@H](CCNC(=O)C#CC1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589762673 1282985552 /nfs/dbraw/zinc/98/55/52/1282985552.db2.gz SIPITNXRNCJPIE-CYBMUJFWSA-N -1 1 354.418 0.435 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)CSCC#N ZINC001589798613 1283014362 /nfs/dbraw/zinc/01/43/62/1283014362.db2.gz JRDWWHLDVLFVDS-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)CSCC#N ZINC001589798613 1283014373 /nfs/dbraw/zinc/01/43/73/1283014373.db2.gz JRDWWHLDVLFVDS-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)CSCC#N ZINC001589799165 1283014902 /nfs/dbraw/zinc/01/49/02/1283014902.db2.gz FPDBZDIICHMWEY-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)CSCC#N ZINC001589799165 1283014914 /nfs/dbraw/zinc/01/49/14/1283014914.db2.gz FPDBZDIICHMWEY-UWVGGRQHSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589813830 1283044878 /nfs/dbraw/zinc/04/48/78/1283044878.db2.gz IDBUJJDUYANAGN-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589813830 1283044891 /nfs/dbraw/zinc/04/48/91/1283044891.db2.gz IDBUJJDUYANAGN-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589880462 1283106680 /nfs/dbraw/zinc/10/66/80/1283106680.db2.gz BBLKUXIKIPRUEU-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589880462 1283106684 /nfs/dbraw/zinc/10/66/84/1283106684.db2.gz BBLKUXIKIPRUEU-QGZVFWFLSA-N -1 1 352.402 0.767 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590008683 1283173435 /nfs/dbraw/zinc/17/34/35/1283173435.db2.gz NTFQMTWYVPJLSB-GTNSWQLSSA-N -1 1 371.401 0.790 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590008683 1283173439 /nfs/dbraw/zinc/17/34/39/1283173439.db2.gz NTFQMTWYVPJLSB-GTNSWQLSSA-N -1 1 371.401 0.790 20 30 FCEDMM CC1(C)C(=O)N[C@H]1C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590072409 1283204248 /nfs/dbraw/zinc/20/42/48/1283204248.db2.gz HMOCPFWRCZWXQK-ZDUSSCGKSA-N -1 1 353.390 0.269 20 30 FCEDMM C[C@@H]1[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)CCN1c1cncc(C#N)n1 ZINC001590168418 1283262164 /nfs/dbraw/zinc/26/21/64/1283262164.db2.gz STYBUNHSXZHZJQ-GHMZBOCLSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)CCN1c1cncc(C#N)n1 ZINC001590168418 1283262177 /nfs/dbraw/zinc/26/21/77/1283262177.db2.gz STYBUNHSXZHZJQ-GHMZBOCLSA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174254 1283278874 /nfs/dbraw/zinc/27/88/74/1283278874.db2.gz BXOMFSKPADSVGP-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174254 1283278879 /nfs/dbraw/zinc/27/88/79/1283278879.db2.gz BXOMFSKPADSVGP-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590198696 1283309681 /nfs/dbraw/zinc/30/96/81/1283309681.db2.gz DHAMAAZJCZWFJZ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590198696 1283309693 /nfs/dbraw/zinc/30/96/93/1283309693.db2.gz DHAMAAZJCZWFJZ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CSCC#N ZINC001590212463 1283344756 /nfs/dbraw/zinc/34/47/56/1283344756.db2.gz QLCPASWQEZHUCZ-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CSCC#N ZINC001590212463 1283344770 /nfs/dbraw/zinc/34/47/70/1283344770.db2.gz QLCPASWQEZHUCZ-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590298584 1283432161 /nfs/dbraw/zinc/43/21/61/1283432161.db2.gz VZXHFLLWMTUITL-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590298584 1283432171 /nfs/dbraw/zinc/43/21/71/1283432171.db2.gz VZXHFLLWMTUITL-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(C#N)n1 ZINC001590318510 1283463601 /nfs/dbraw/zinc/46/36/01/1283463601.db2.gz QAVLJXOKNINYKC-GFCCVEGCSA-N -1 1 362.401 0.634 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(C#N)n1 ZINC001590318510 1283463610 /nfs/dbraw/zinc/46/36/10/1283463610.db2.gz QAVLJXOKNINYKC-GFCCVEGCSA-N -1 1 362.401 0.634 20 30 FCEDMM CCc1ccc([C@@H](C#N)NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001604522567 1287650403 /nfs/dbraw/zinc/65/04/03/1287650403.db2.gz ZRDYBPJURWXASN-GXFFZTMASA-N -1 1 351.374 0.963 20 30 FCEDMM CCN(c1nc(C)cc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001590725165 1283753467 /nfs/dbraw/zinc/75/34/67/1283753467.db2.gz AXFYNEYKVMXHHX-GFCCVEGCSA-N -1 1 354.418 0.710 20 30 FCEDMM CCN(c1nc(C)cc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001590725165 1283753473 /nfs/dbraw/zinc/75/34/73/1283753473.db2.gz AXFYNEYKVMXHHX-GFCCVEGCSA-N -1 1 354.418 0.710 20 30 FCEDMM CCc1nc(NCCNC(=O)C2N=CC=CC2=O)cc(-c2nnn[n-]2)n1 ZINC001590922329 1283972211 /nfs/dbraw/zinc/97/22/11/1283972211.db2.gz KWINVCPRXPUNJC-SQFISAMPSA-N -1 1 355.362 0.157 20 30 FCEDMM CCc1nc(NCCNC(=O)C2N=CC=CC2=O)cc(-c2nn[n-]n2)n1 ZINC001590922329 1283972215 /nfs/dbraw/zinc/97/22/15/1283972215.db2.gz KWINVCPRXPUNJC-SQFISAMPSA-N -1 1 355.362 0.157 20 30 FCEDMM CN(C(=O)C#CC1CC1)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001590971729 1284031983 /nfs/dbraw/zinc/03/19/83/1284031983.db2.gz DWMIQDRHLUQWDZ-ZDUSSCGKSA-N -1 1 352.402 0.719 20 30 FCEDMM CN(C(=O)C#CC1CC1)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001590971729 1284031990 /nfs/dbraw/zinc/03/19/90/1284031990.db2.gz DWMIQDRHLUQWDZ-ZDUSSCGKSA-N -1 1 352.402 0.719 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C#CC(C)(C)C ZINC001591068542 1284126565 /nfs/dbraw/zinc/12/65/65/1284126565.db2.gz DKOAWLXBEPKIFX-UHFFFAOYSA-N -1 1 356.434 0.991 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C#CC(C)(C)C ZINC001591068542 1284126573 /nfs/dbraw/zinc/12/65/73/1284126573.db2.gz DKOAWLXBEPKIFX-UHFFFAOYSA-N -1 1 356.434 0.991 20 30 FCEDMM CN(CCCCNc1ncncc1C#N)c1ncncc1-c1nn[n-]n1 ZINC001591065392 1284127547 /nfs/dbraw/zinc/12/75/47/1284127547.db2.gz MDKXLKPYLZOCKA-UHFFFAOYSA-N -1 1 351.378 0.069 20 30 FCEDMM CN1C[C@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc2C1=O ZINC001591168313 1284247956 /nfs/dbraw/zinc/24/79/56/1284247956.db2.gz JPGGDIQMOJLMHE-JTQLQIEISA-N -1 1 363.341 0.269 20 30 FCEDMM COc1cccc([S@](=O)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591642234 1284775693 /nfs/dbraw/zinc/77/56/93/1284775693.db2.gz WDILDJRDNBQVJK-AREMUKBSSA-N -1 1 372.370 0.216 20 30 FCEDMM Cc1c(Br)cc(-c2nn[n-]n2)c(=O)n1CC(=O)NCCC#N ZINC001591798918 1284913326 /nfs/dbraw/zinc/91/33/26/1284913326.db2.gz CPRGWAWUPVREIF-UHFFFAOYSA-N -1 1 366.179 0.129 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)n1 ZINC001591888089 1284977389 /nfs/dbraw/zinc/97/73/89/1284977389.db2.gz BQNBDEQFKVHFLC-TZMCWYRMSA-N -1 1 368.445 0.813 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)n1 ZINC001591888089 1284977401 /nfs/dbraw/zinc/97/74/01/1284977401.db2.gz BQNBDEQFKVHFLC-TZMCWYRMSA-N -1 1 368.445 0.813 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001591889677 1284981463 /nfs/dbraw/zinc/98/14/63/1284981463.db2.gz YTHISIDFLSIZGA-CYBMUJFWSA-N -1 1 352.402 0.464 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001591889677 1284981473 /nfs/dbraw/zinc/98/14/73/1284981473.db2.gz YTHISIDFLSIZGA-CYBMUJFWSA-N -1 1 352.402 0.464 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001591898950 1284987610 /nfs/dbraw/zinc/98/76/10/1284987610.db2.gz WZLOHLNOGBNEOE-UHFFFAOYSA-N -1 1 352.362 0.397 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001591898950 1284987616 /nfs/dbraw/zinc/98/76/16/1284987616.db2.gz WZLOHLNOGBNEOE-UHFFFAOYSA-N -1 1 352.362 0.397 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001591901032 1284994002 /nfs/dbraw/zinc/99/40/02/1284994002.db2.gz VHXIWZFUQIVRDC-JOCQHMNTSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001591901032 1284994016 /nfs/dbraw/zinc/99/40/16/1284994016.db2.gz VHXIWZFUQIVRDC-JOCQHMNTSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591957452 1285025046 /nfs/dbraw/zinc/02/50/46/1285025046.db2.gz ZCHCEQHMZRIHQZ-UHFFFAOYSA-N -1 1 363.345 0.682 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSCCC#N)CC2)o1 ZINC001592337478 1285248723 /nfs/dbraw/zinc/24/87/23/1285248723.db2.gz ZRXQUCYHAXDVEZ-UHFFFAOYSA-N -1 1 362.419 0.459 20 30 FCEDMM Cc1nsc(N(C)[C@H](C)CNC(=O)CSCC#N)c1-c1nn[n-]n1 ZINC001592468776 1285411998 /nfs/dbraw/zinc/41/19/98/1285411998.db2.gz XMIONCWWQIYAAS-MRVPVSSYSA-N -1 1 366.476 0.829 20 30 FCEDMM Cn1cc([C@H]2C[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cn1 ZINC001592568891 1285483109 /nfs/dbraw/zinc/48/31/09/1285483109.db2.gz CDOUWUFOCLKEHL-ZYHUDNBSSA-N -1 1 352.362 0.594 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001604830641 1287792276 /nfs/dbraw/zinc/79/22/76/1287792276.db2.gz AVUILOWOVMYGNQ-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001604830641 1287792282 /nfs/dbraw/zinc/79/22/82/1287792282.db2.gz AVUILOWOVMYGNQ-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM N#CC1(CNC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001592669261 1285566077 /nfs/dbraw/zinc/56/60/77/1285566077.db2.gz VDGPCGBJKCYAFY-UHFFFAOYSA-N -1 1 367.417 0.787 20 30 FCEDMM N#CC1(CNC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001592669261 1285566086 /nfs/dbraw/zinc/56/60/86/1285566086.db2.gz VDGPCGBJKCYAFY-UHFFFAOYSA-N -1 1 367.417 0.787 20 30 FCEDMM N#CCC1(O)CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001592673461 1285568185 /nfs/dbraw/zinc/56/81/85/1285568185.db2.gz FRRZZWHGCOHVTR-UHFFFAOYSA-N -1 1 354.779 0.169 20 30 FCEDMM N#CCC[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001592675499 1285569074 /nfs/dbraw/zinc/56/90/74/1285569074.db2.gz VRKIQECVWWZTBS-CYBMUJFWSA-N -1 1 366.389 0.802 20 30 FCEDMM N#CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001592676494 1285569232 /nfs/dbraw/zinc/56/92/32/1285569232.db2.gz SPCCTBFDPYTUJA-UHFFFAOYSA-N -1 1 351.348 0.747 20 30 FCEDMM N#CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592676494 1285569239 /nfs/dbraw/zinc/56/92/39/1285569239.db2.gz SPCCTBFDPYTUJA-UHFFFAOYSA-N -1 1 351.348 0.747 20 30 FCEDMM N#CCCN(C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N)c1ccccc1 ZINC001592677102 1285569913 /nfs/dbraw/zinc/56/99/13/1285569913.db2.gz YLZREAIEFWNYDN-UHFFFAOYSA-N -1 1 362.357 0.464 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592679019 1285574686 /nfs/dbraw/zinc/57/46/86/1285574686.db2.gz CSFGMSASEOZPQZ-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592679019 1285574690 /nfs/dbraw/zinc/57/46/90/1285574690.db2.gz CSFGMSASEOZPQZ-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccccc2Cn2cncn2)nc1-c1nn[nH]n1 ZINC001592681311 1285577979 /nfs/dbraw/zinc/57/79/79/1285577979.db2.gz AQMGOQOTBPQINH-UHFFFAOYSA-N -1 1 361.329 0.354 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592680469 1285578136 /nfs/dbraw/zinc/57/81/36/1285578136.db2.gz OPLAHBAYNWXWBH-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592680469 1285578137 /nfs/dbraw/zinc/57/81/37/1285578137.db2.gz OPLAHBAYNWXWBH-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592680507 1285579704 /nfs/dbraw/zinc/57/97/04/1285579704.db2.gz QNRPKEZMGYKTEZ-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592680507 1285579711 /nfs/dbraw/zinc/57/97/11/1285579711.db2.gz QNRPKEZMGYKTEZ-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001592683940 1285580418 /nfs/dbraw/zinc/58/04/18/1285580418.db2.gz IEZRBYKVTMBVAM-SNVBAGLBSA-N -1 1 357.378 0.671 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001592682127 1285581648 /nfs/dbraw/zinc/58/16/48/1285581648.db2.gz QCHGODZLZKHFMD-SNVBAGLBSA-N -1 1 365.357 0.157 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H](O)Cc2ccccc2Cl)nc1-c1nn[nH]n1 ZINC001592681666 1285581661 /nfs/dbraw/zinc/58/16/61/1285581661.db2.gz XTAXFHLPRXNTBV-JTQLQIEISA-N -1 1 358.749 0.657 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001592684247 1285583618 /nfs/dbraw/zinc/58/36/18/1285583618.db2.gz VPXRMGKBYQSVPJ-UHFFFAOYSA-N -1 1 360.341 0.728 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001592687499 1285583774 /nfs/dbraw/zinc/58/37/74/1285583774.db2.gz QRRFJCKDHVNQIP-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001592687499 1285583785 /nfs/dbraw/zinc/58/37/85/1285583785.db2.gz QRRFJCKDHVNQIP-UHFFFAOYSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)c1cccc(N2CCCC2=O)c1 ZINC001592684132 1285584078 /nfs/dbraw/zinc/58/40/78/1285584078.db2.gz OWDJEWJHMVSHFG-UHFFFAOYSA-N -1 1 362.353 0.945 20 30 FCEDMM N#Cc1ccc([C@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cc1 ZINC001592692218 1285586523 /nfs/dbraw/zinc/58/65/23/1285586523.db2.gz UQTJRWQPXFTNAU-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc([C@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cc1 ZINC001592692218 1285586531 /nfs/dbraw/zinc/58/65/31/1285586531.db2.gz UQTJRWQPXFTNAU-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1cccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC001592700697 1285588278 /nfs/dbraw/zinc/58/82/78/1285588278.db2.gz QCNHVHUKOFGEPZ-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1cccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC001592700697 1285588283 /nfs/dbraw/zinc/58/82/83/1285588283.db2.gz QCNHVHUKOFGEPZ-UHFFFAOYSA-N -1 1 361.369 0.491 20 30 FCEDMM N#Cc1cncnc1N[C@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001592703966 1285591487 /nfs/dbraw/zinc/59/14/87/1285591487.db2.gz LFDAXWLPKLVZNU-HAQNSBGRSA-N -1 1 363.389 0.575 20 30 FCEDMM N#Cc1nc(N2Cc3cccnc3N3CCC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001592706354 1285593646 /nfs/dbraw/zinc/59/36/46/1285593646.db2.gz SZMQAGAIPKBKST-GFCCVEGCSA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1nc(N2Cc3cccnc3N3CCC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001592706354 1285593649 /nfs/dbraw/zinc/59/36/49/1285593649.db2.gz SZMQAGAIPKBKST-GFCCVEGCSA-N -1 1 360.385 0.912 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592766863 1285687856 /nfs/dbraw/zinc/68/78/56/1285687856.db2.gz UNLUOKHSQUCIDP-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592766863 1285687858 /nfs/dbraw/zinc/68/78/58/1285687858.db2.gz UNLUOKHSQUCIDP-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001592766537 1285689059 /nfs/dbraw/zinc/68/90/59/1285689059.db2.gz NJSNAKVEJUSLOM-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001592766537 1285689063 /nfs/dbraw/zinc/68/90/63/1285689063.db2.gz NJSNAKVEJUSLOM-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001592766760 1285689258 /nfs/dbraw/zinc/68/92/58/1285689258.db2.gz SHRWFKHJIZSKHU-BETUJISGSA-N -1 1 350.386 0.250 20 30 FCEDMM O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001592766760 1285689264 /nfs/dbraw/zinc/68/92/64/1285689264.db2.gz SHRWFKHJIZSKHU-BETUJISGSA-N -1 1 350.386 0.250 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592767357 1285689782 /nfs/dbraw/zinc/68/97/82/1285689782.db2.gz BKWKMAOUBVKOGE-MRVPVSSYSA-N -1 1 367.822 0.279 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001592768903 1285692172 /nfs/dbraw/zinc/69/21/72/1285692172.db2.gz QJANWEHICQHAOZ-ZIAGYGMSSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001592768903 1285692181 /nfs/dbraw/zinc/69/21/81/1285692181.db2.gz QJANWEHICQHAOZ-ZIAGYGMSSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592769650 1285694500 /nfs/dbraw/zinc/69/45/00/1285694500.db2.gz WDDYZESUADMTGE-UHFFFAOYSA-N -1 1 350.386 0.323 20 30 FCEDMM O=C(C#CC1CC1)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592769650 1285694512 /nfs/dbraw/zinc/69/45/12/1285694512.db2.gz WDDYZESUADMTGE-UHFFFAOYSA-N -1 1 350.386 0.323 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592802727 1285723492 /nfs/dbraw/zinc/72/34/92/1285723492.db2.gz GVNNRJYFGIOASA-OAHLLOKOSA-N -1 1 374.408 0.793 20 30 FCEDMM C#CCC(CC#C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001602696854 1287059642 /nfs/dbraw/zinc/05/96/42/1287059642.db2.gz GGWOJSZZBLXLGF-ZDUSSCGKSA-N -1 1 364.413 0.357 20 30 FCEDMM C#CCC(CC#C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001602696854 1287059656 /nfs/dbraw/zinc/05/96/56/1287059656.db2.gz GGWOJSZZBLXLGF-ZDUSSCGKSA-N -1 1 364.413 0.357 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602706643 1287067412 /nfs/dbraw/zinc/06/74/12/1287067412.db2.gz XOXHJDHEOYBQPX-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602706643 1287067426 /nfs/dbraw/zinc/06/74/26/1287067426.db2.gz XOXHJDHEOYBQPX-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602724431 1287080430 /nfs/dbraw/zinc/08/04/30/1287080430.db2.gz DWVWUDAYJGDSQO-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602724431 1287080440 /nfs/dbraw/zinc/08/04/40/1287080440.db2.gz DWVWUDAYJGDSQO-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001602725433 1287082730 /nfs/dbraw/zinc/08/27/30/1287082730.db2.gz KGGKESFMUCKBIH-NSHDSACASA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001602725433 1287082743 /nfs/dbraw/zinc/08/27/43/1287082743.db2.gz KGGKESFMUCKBIH-NSHDSACASA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602724919 1287083047 /nfs/dbraw/zinc/08/30/47/1287083047.db2.gz HUNOGKGRXXCBME-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602724919 1287083060 /nfs/dbraw/zinc/08/30/60/1287083060.db2.gz HUNOGKGRXXCBME-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001602726326 1287087479 /nfs/dbraw/zinc/08/74/79/1287087479.db2.gz DUNXZHGNADAJQV-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001602726326 1287087490 /nfs/dbraw/zinc/08/74/90/1287087490.db2.gz DUNXZHGNADAJQV-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001602727620 1287093438 /nfs/dbraw/zinc/09/34/38/1287093438.db2.gz QSSYZBOGNRXTQD-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001602727620 1287093444 /nfs/dbraw/zinc/09/34/44/1287093444.db2.gz QSSYZBOGNRXTQD-NWDGAFQWSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602727493 1287094009 /nfs/dbraw/zinc/09/40/09/1287094009.db2.gz OLPWFZUZJZQGIC-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602727493 1287094021 /nfs/dbraw/zinc/09/40/21/1287094021.db2.gz OLPWFZUZJZQGIC-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602729418 1287096985 /nfs/dbraw/zinc/09/69/85/1287096985.db2.gz QZJOOWDPCNMFAK-UHFFFAOYSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602729418 1287096996 /nfs/dbraw/zinc/09/69/96/1287096996.db2.gz QZJOOWDPCNMFAK-UHFFFAOYSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602729284 1287097397 /nfs/dbraw/zinc/09/73/97/1287097397.db2.gz NBNKKPOSMCDWQI-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602729284 1287097405 /nfs/dbraw/zinc/09/74/05/1287097405.db2.gz NBNKKPOSMCDWQI-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001602735886 1287099256 /nfs/dbraw/zinc/09/92/56/1287099256.db2.gz VDWLLTMPYYOBOH-CQSZACIVSA-N -1 1 374.408 0.634 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001602737416 1287099294 /nfs/dbraw/zinc/09/92/94/1287099294.db2.gz QUDNDHXHRNMAPB-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001602737416 1287099305 /nfs/dbraw/zinc/09/93/05/1287099305.db2.gz QUDNDHXHRNMAPB-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001602737663 1287099527 /nfs/dbraw/zinc/09/95/27/1287099527.db2.gz VBTVAJAEGDQHMJ-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001602737663 1287099532 /nfs/dbraw/zinc/09/95/32/1287099532.db2.gz VBTVAJAEGDQHMJ-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001602737242 1287099546 /nfs/dbraw/zinc/09/95/46/1287099546.db2.gz OOZYTCYDVBJRTI-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001602737242 1287099557 /nfs/dbraw/zinc/09/95/57/1287099557.db2.gz OOZYTCYDVBJRTI-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001602737417 1287099842 /nfs/dbraw/zinc/09/98/42/1287099842.db2.gz QUDNDHXHRNMAPB-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001602737417 1287099852 /nfs/dbraw/zinc/09/98/52/1287099852.db2.gz QUDNDHXHRNMAPB-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001602739833 1287100537 /nfs/dbraw/zinc/10/05/37/1287100537.db2.gz PJVAASRXCHVCRT-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001602739833 1287100543 /nfs/dbraw/zinc/10/05/43/1287100543.db2.gz PJVAASRXCHVCRT-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001602739718 1287100981 /nfs/dbraw/zinc/10/09/81/1287100981.db2.gz NOLWYBOTNXRSJY-UHFFFAOYSA-N -1 1 363.385 0.208 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001602739718 1287100989 /nfs/dbraw/zinc/10/09/89/1287100989.db2.gz NOLWYBOTNXRSJY-UHFFFAOYSA-N -1 1 363.385 0.208 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001602742272 1287101778 /nfs/dbraw/zinc/10/17/78/1287101778.db2.gz AFFWTWWXRIYDKT-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001602742272 1287101789 /nfs/dbraw/zinc/10/17/89/1287101789.db2.gz AFFWTWWXRIYDKT-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001602743582 1287103045 /nfs/dbraw/zinc/10/30/45/1287103045.db2.gz YOURYZWMHXLONU-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001602743582 1287103053 /nfs/dbraw/zinc/10/30/53/1287103053.db2.gz YOURYZWMHXLONU-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001602745565 1287103411 /nfs/dbraw/zinc/10/34/11/1287103411.db2.gz JUOAOZCACMEXTJ-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001602745565 1287103412 /nfs/dbraw/zinc/10/34/12/1287103412.db2.gz JUOAOZCACMEXTJ-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)OCC ZINC001602753324 1287104688 /nfs/dbraw/zinc/10/46/88/1287104688.db2.gz OBTSRPDNKAIGDX-YPMHNXCESA-N -1 1 360.422 0.945 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)OCC ZINC001602753324 1287104692 /nfs/dbraw/zinc/10/46/92/1287104692.db2.gz OBTSRPDNKAIGDX-YPMHNXCESA-N -1 1 360.422 0.945 20 30 FCEDMM C=C(C)CN(C)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1CC1CC1 ZINC001602758651 1287105663 /nfs/dbraw/zinc/10/56/63/1287105663.db2.gz LMCQNQGVKOSKNY-UHFFFAOYSA-N -1 1 355.410 0.520 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602793436 1287118013 /nfs/dbraw/zinc/11/80/13/1287118013.db2.gz AZSGJQZZLCFTLH-SJCJKPOMSA-N -1 1 372.433 0.329 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602793436 1287118019 /nfs/dbraw/zinc/11/80/19/1287118019.db2.gz AZSGJQZZLCFTLH-SJCJKPOMSA-N -1 1 372.433 0.329 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602793366 1287118208 /nfs/dbraw/zinc/11/82/08/1287118208.db2.gz AFCBAFMAPYYKMU-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602793366 1287118213 /nfs/dbraw/zinc/11/82/13/1287118213.db2.gz AFCBAFMAPYYKMU-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602793326 1287118792 /nfs/dbraw/zinc/11/87/92/1287118792.db2.gz LVWFUXHQQCPAOX-PIGZYNQJSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602793326 1287118800 /nfs/dbraw/zinc/11/88/00/1287118800.db2.gz LVWFUXHQQCPAOX-PIGZYNQJSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602793934 1287118838 /nfs/dbraw/zinc/11/88/38/1287118838.db2.gz GHFLYAXBLKUGPD-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602793934 1287118841 /nfs/dbraw/zinc/11/88/41/1287118841.db2.gz GHFLYAXBLKUGPD-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602793032 1287118901 /nfs/dbraw/zinc/11/89/01/1287118901.db2.gz KAXGJURWLSEILT-USBNGQNGSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602793032 1287118905 /nfs/dbraw/zinc/11/89/05/1287118905.db2.gz KAXGJURWLSEILT-USBNGQNGSA-N -1 1 358.406 0.291 20 30 FCEDMM C=CCC1(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1 ZINC001602818336 1287123769 /nfs/dbraw/zinc/12/37/69/1287123769.db2.gz NBOINTNUMOQNEZ-UHFFFAOYSA-N -1 1 359.390 0.524 20 30 FCEDMM C=CCC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CCC1 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ZINC001573294569 946993412 /nfs/dbraw/zinc/99/34/12/946993412.db2.gz IDEOLYOIVVNXFQ-JSGCOSHPSA-N -1 1 372.433 0.533 20 30 FCEDMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC000824936024 946999846 /nfs/dbraw/zinc/99/98/46/946999846.db2.gz DNNWKIAAPQIELK-NXEZZACHSA-N -1 1 357.378 0.339 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565209 947001083 /nfs/dbraw/zinc/00/10/83/947001083.db2.gz OVIKDGZJQIUUBD-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565209 947001095 /nfs/dbraw/zinc/00/10/95/947001095.db2.gz OVIKDGZJQIUUBD-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573567351 947043159 /nfs/dbraw/zinc/04/31/59/947043159.db2.gz MBJXMKFLYHMJLJ-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573567351 947043168 /nfs/dbraw/zinc/04/31/68/947043168.db2.gz MBJXMKFLYHMJLJ-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573567691 947053018 /nfs/dbraw/zinc/05/30/18/947053018.db2.gz QYMZPKROKIGFEO-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573567691 947053031 /nfs/dbraw/zinc/05/30/31/947053031.db2.gz QYMZPKROKIGFEO-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568053 947065131 /nfs/dbraw/zinc/06/51/31/947065131.db2.gz WVUSOSJEFTUXRL-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568053 947065143 /nfs/dbraw/zinc/06/51/43/947065143.db2.gz WVUSOSJEFTUXRL-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568054 947065752 /nfs/dbraw/zinc/06/57/52/947065752.db2.gz WVUSOSJEFTUXRL-RYUDHWBXSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568054 947065764 /nfs/dbraw/zinc/06/57/64/947065764.db2.gz WVUSOSJEFTUXRL-RYUDHWBXSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573569567 947074654 /nfs/dbraw/zinc/07/46/54/947074654.db2.gz BKNCCBGOGGIZMN-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573569567 947074662 /nfs/dbraw/zinc/07/46/62/947074662.db2.gz BKNCCBGOGGIZMN-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573299357 947094122 /nfs/dbraw/zinc/09/41/22/947094122.db2.gz DJHKKHGZTXSKHP-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573299357 947094129 /nfs/dbraw/zinc/09/41/29/947094129.db2.gz DJHKKHGZTXSKHP-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C(C)CCC(=O)NC1(CO)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573299740 947098462 /nfs/dbraw/zinc/09/84/62/947098462.db2.gz LJLGCQPCZFUCSI-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=C(C)CCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573299740 947098475 /nfs/dbraw/zinc/09/84/75/947098475.db2.gz LJLGCQPCZFUCSI-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573300894 947124892 /nfs/dbraw/zinc/12/48/92/947124892.db2.gz PALKOBITVOQAIG-TXEJJXNPSA-N -1 1 354.418 0.764 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573575354 947137568 /nfs/dbraw/zinc/13/75/68/947137568.db2.gz XQDKXFZQXZVANS-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573575354 947137570 /nfs/dbraw/zinc/13/75/70/947137570.db2.gz XQDKXFZQXZVANS-NSHDSACASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573575395 947139752 /nfs/dbraw/zinc/13/97/52/947139752.db2.gz 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C[C@H](C#N)C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577173 947161676 /nfs/dbraw/zinc/16/16/76/947161676.db2.gz NBGABLIAUMERGE-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573305878 947162583 /nfs/dbraw/zinc/16/25/83/947162583.db2.gz GYUOWXZUVASTFS-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573305878 947162588 /nfs/dbraw/zinc/16/25/88/947162588.db2.gz GYUOWXZUVASTFS-IAGOWNOFSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573306558 947171865 /nfs/dbraw/zinc/17/18/65/947171865.db2.gz LEQAKMUQTOFPNF-MEDUHNTESA-N -1 1 360.422 0.456 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573306558 947171873 /nfs/dbraw/zinc/17/18/73/947171873.db2.gz LEQAKMUQTOFPNF-MEDUHNTESA-N -1 1 360.422 0.456 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001573577813 947174714 /nfs/dbraw/zinc/17/47/14/947174714.db2.gz SXCFNAHKEVAPKK-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001573577813 947174719 /nfs/dbraw/zinc/17/47/19/947174719.db2.gz SXCFNAHKEVAPKK-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573577870 947176393 /nfs/dbraw/zinc/17/63/93/947176393.db2.gz UNYGCRMTBPGRTO-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573577870 947176398 /nfs/dbraw/zinc/17/63/98/947176398.db2.gz UNYGCRMTBPGRTO-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573577975 947179122 /nfs/dbraw/zinc/17/91/22/947179122.db2.gz WQDHUUKNXQSTSJ-DGCLKSJQSA-N -1 1 363.385 0.508 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573582656 947193565 /nfs/dbraw/zinc/19/35/65/947193565.db2.gz FWHLWNPLXHSIEC-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573582656 947193570 /nfs/dbraw/zinc/19/35/70/947193570.db2.gz FWHLWNPLXHSIEC-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573309670 947205288 /nfs/dbraw/zinc/20/52/88/947205288.db2.gz MRACXHHKFRREJX-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573309670 947205297 /nfs/dbraw/zinc/20/52/97/947205297.db2.gz MRACXHHKFRREJX-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573310200 947218586 /nfs/dbraw/zinc/21/85/86/947218586.db2.gz UWPVLPWFWLBAKV-BDJLRTHQSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573310200 947218596 /nfs/dbraw/zinc/21/85/96/947218596.db2.gz UWPVLPWFWLBAKV-BDJLRTHQSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573310631 947225726 /nfs/dbraw/zinc/22/57/26/947225726.db2.gz YQEGTEGGPDHPNY-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573584715 947232626 /nfs/dbraw/zinc/23/26/26/947232626.db2.gz CHJLVZJVYVJMAA-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573584715 947232633 /nfs/dbraw/zinc/23/26/33/947232633.db2.gz CHJLVZJVYVJMAA-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573585537 947259661 /nfs/dbraw/zinc/25/96/61/947259661.db2.gz RSWKPJUVFIXIIN-PSTGCABASA-N -1 1 367.417 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573585537 947259677 /nfs/dbraw/zinc/25/96/77/947259677.db2.gz RSWKPJUVFIXIIN-PSTGCABASA-N -1 1 367.417 0.682 20 30 FCEDMM C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001602712113 971353416 /nfs/dbraw/zinc/35/34/16/971353416.db2.gz GYIMDAHXPXCMJP-NXEZZACHSA-N -1 1 351.325 0.227 20 30 FCEDMM C=CCC1(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573329728 947426090 /nfs/dbraw/zinc/42/60/90/947426090.db2.gz NVCUTPARPZFVHW-GFCCVEGCSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCC1(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573329728 947426095 /nfs/dbraw/zinc/42/60/95/947426095.db2.gz NVCUTPARPZFVHW-GFCCVEGCSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573330382 947433430 /nfs/dbraw/zinc/43/34/30/947433430.db2.gz WVUZIRXCEJQLQJ-KRWDZBQOSA-N -1 1 370.417 0.431 20 30 FCEDMM C=CCCC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573330382 947433442 /nfs/dbraw/zinc/43/34/42/947433442.db2.gz WVUZIRXCEJQLQJ-KRWDZBQOSA-N -1 1 370.417 0.431 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573335551 947483245 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C=CCn1cc(C(=O)NCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)nn1 ZINC001103509636 1220892965 /nfs/dbraw/zinc/89/29/65/1220892965.db2.gz AVGBUBXXVCELFN-VXGBXAGGSA-N -1 1 360.422 0.176 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)cn1 ZINC001103657051 1220931061 /nfs/dbraw/zinc/93/10/61/1220931061.db2.gz OZSHSDCIWYRTOB-TZMCWYRMSA-N -1 1 354.414 0.775 20 30 FCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001121626080 1222197967 /nfs/dbraw/zinc/19/79/67/1222197967.db2.gz KYYDTHUHIBDCMX-SNVBAGLBSA-N -1 1 371.371 0.641 20 30 FCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001121626080 1222197969 /nfs/dbraw/zinc/19/79/69/1222197969.db2.gz KYYDTHUHIBDCMX-SNVBAGLBSA-N -1 1 371.371 0.641 20 30 FCEDMM COC(=O)[C@H]1CN(C)CCN1C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154555745 1223011276 /nfs/dbraw/zinc/01/12/76/1223011276.db2.gz JIQFTHXHNXJUMJ-OAHLLOKOSA-N -1 1 354.366 0.329 20 30 FCEDMM CNC(=O)C(C#N)=C([O-])c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O ZINC000917004812 1245546919 /nfs/dbraw/zinc/54/69/19/1245546919.db2.gz CFGVXGVYWZVSCL-LBPRGKRZSA-N -1 1 374.422 0.790 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cc(=O)n4[n-]cnc4n3)C[C@H]2C)C1 ZINC000939985464 1246200342 /nfs/dbraw/zinc/20/03/42/1246200342.db2.gz UCKZGSYSRVQYNC-DGCLKSJQSA-N -1 1 370.413 0.351 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000976585754 1248255212 /nfs/dbraw/zinc/25/52/12/1248255212.db2.gz IWOZKQQFWBBRQS-SCYMPEOESA-N -1 1 357.410 0.955 20 30 FCEDMM C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000976592986 1248265582 /nfs/dbraw/zinc/26/55/82/1248265582.db2.gz WJQJPOKQXNZXOX-KLUNEYRZSA-N -1 1 357.410 0.955 20 30 FCEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC001328569320 1265580792 /nfs/dbraw/zinc/58/07/92/1265580792.db2.gz RSPJVDBEILSYMO-SFHVURJKSA-N -1 1 353.382 0.560 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001079175153 1255466071 /nfs/dbraw/zinc/46/60/71/1255466071.db2.gz YJUOVLZIBGZAPE-LEWSCRJBSA-N -1 1 358.377 0.893 20 30 FCEDMM N#CCN[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1c1ccccc1 ZINC001081197509 1256203317 /nfs/dbraw/zinc/20/33/17/1256203317.db2.gz ZZSMFMQNNXJEFX-JKSUJKDBSA-N -1 1 367.409 0.034 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)cc1 ZINC001084568048 1258175401 /nfs/dbraw/zinc/17/54/01/1258175401.db2.gz WIIJAMNWGRIGBA-HZPDHXFCSA-N -1 1 351.410 0.436 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CCN(Cc3cc(=O)n4[n-]ccc4n3)[C@H]2C1 ZINC001084906652 1258431338 /nfs/dbraw/zinc/43/13/38/1258431338.db2.gz BHQDNXOUTKHOOI-NFAWXSAZSA-N -1 1 354.414 0.605 20 30 FCEDMM C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783544 1258844562 /nfs/dbraw/zinc/84/45/62/1258844562.db2.gz GBBGBNXJRVKMOD-BXUZGUMPSA-N -1 1 368.397 0.652 20 30 FCEDMM C[C@](O)(CN[C@@H]1CO[N-]C1=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252335015 1259782877 /nfs/dbraw/zinc/78/28/77/1259782877.db2.gz PNBQECICBQUMFP-RISCZKNCSA-N -1 1 372.303 0.286 20 30 FCEDMM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC001263292411 1260345722 /nfs/dbraw/zinc/34/57/22/1260345722.db2.gz FQSMRTAGXCMDHB-LBPRGKRZSA-N -1 1 373.394 0.688 20 30 FCEDMM Cc1ccc(C#N)c(NC(=O)[C@H]2CC23CN(C(=O)Cc2nn[n-]n2)C3)c1 ZINC001272974947 1260546109 /nfs/dbraw/zinc/54/61/09/1260546109.db2.gz GPLVYQQFBBIKFL-GFCCVEGCSA-N -1 1 351.370 0.410 20 30 FCEDMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCO[C@H](C#N)C1 ZINC001292863835 1262703426 /nfs/dbraw/zinc/70/34/26/1262703426.db2.gz CRVMSUFVVOOSQA-CYBMUJFWSA-N -1 1 361.402 0.011 20 30 FCEDMM Cn1c(=O)[n-]c(NCCN2CCN(c3ccccc3)CC2)c(C#N)c1=O ZINC001339522356 1268259885 /nfs/dbraw/zinc/25/98/85/1268259885.db2.gz LOZXWXNPJKKHIH-UHFFFAOYSA-N -1 1 354.414 0.179 20 30 FCEDMM N#Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3c3nn[n-]n3)CC2=O)cc1 ZINC001557851442 1268981817 /nfs/dbraw/zinc/98/18/17/1268981817.db2.gz MHESELXKMXWCTF-GXTWGEPZSA-N -1 1 367.369 0.024 20 30 FCEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001342024036 1269308281 /nfs/dbraw/zinc/30/82/81/1269308281.db2.gz ZTHJOXLJBVYGJZ-SECBINFHSA-N -1 1 358.328 0.726 20 30 FCEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001342024036 1269308291 /nfs/dbraw/zinc/30/82/91/1269308291.db2.gz ZTHJOXLJBVYGJZ-SECBINFHSA-N -1 1 358.328 0.726 20 30 FCEDMM Cn1[n-]cc2c(=NC(=O)C(=O)N(CCC#N)Cc3cccnc3)ccnc1-2 ZINC001342417359 1269464967 /nfs/dbraw/zinc/46/49/67/1269464967.db2.gz PSTKIUXDCDXDOG-UHFFFAOYSA-N -1 1 363.381 0.618 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580629517 1278581429 /nfs/dbraw/zinc/58/14/29/1278581429.db2.gz ZLJGNLVSEQASIS-JTQLQIEISA-N -1 1 355.406 0.552 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580629517 1278581431 /nfs/dbraw/zinc/58/14/31/1278581431.db2.gz ZLJGNLVSEQASIS-JTQLQIEISA-N -1 1 355.406 0.552 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573943223 1270948526 /nfs/dbraw/zinc/94/85/26/1270948526.db2.gz VBRVHYWUTUHPPC-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573943223 1270948536 /nfs/dbraw/zinc/94/85/36/1270948536.db2.gz VBRVHYWUTUHPPC-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574546506 1271336148 /nfs/dbraw/zinc/33/61/48/1271336148.db2.gz XTYPQZCVADOPTA-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574546506 1271336152 /nfs/dbraw/zinc/33/61/52/1271336152.db2.gz XTYPQZCVADOPTA-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580662586 1278665095 /nfs/dbraw/zinc/66/50/95/1278665095.db2.gz AVMAOWVZFDOSSI-GWCFXTLKSA-N -1 1 367.417 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580662586 1278665099 /nfs/dbraw/zinc/66/50/99/1278665099.db2.gz AVMAOWVZFDOSSI-GWCFXTLKSA-N -1 1 367.417 0.600 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575329863 1271941307 /nfs/dbraw/zinc/94/13/07/1271941307.db2.gz FSEXYNZNBREHCH-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575329863 1271941317 /nfs/dbraw/zinc/94/13/17/1271941317.db2.gz FSEXYNZNBREHCH-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)C#CC2CC2)n1 ZINC001580668196 1278677730 /nfs/dbraw/zinc/67/77/30/1278677730.db2.gz NBMQYOPSAXYMBC-AWEZNQCLSA-N -1 1 366.429 0.854 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)C#CC2CC2)n1 ZINC001580668196 1278677740 /nfs/dbraw/zinc/67/77/40/1278677740.db2.gz NBMQYOPSAXYMBC-AWEZNQCLSA-N -1 1 366.429 0.854 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684111 1278710020 /nfs/dbraw/zinc/71/00/20/1278710020.db2.gz BLUXACHDCMJTGY-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684111 1278710026 /nfs/dbraw/zinc/71/00/26/1278710026.db2.gz BLUXACHDCMJTGY-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)[C@H](C)C#N)CCCC2)n1 ZINC001580701439 1278753060 /nfs/dbraw/zinc/75/30/60/1278753060.db2.gz MJSSQNHNRDBRBC-SNVBAGLBSA-N -1 1 355.406 0.966 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)[C@H](C)C#N)CCCC2)n1 ZINC001580701439 1278753077 /nfs/dbraw/zinc/75/30/77/1278753077.db2.gz MJSSQNHNRDBRBC-SNVBAGLBSA-N -1 1 355.406 0.966 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576311162 1273125672 /nfs/dbraw/zinc/12/56/72/1273125672.db2.gz CLIOULWRFSHINP-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576311162 1273125678 /nfs/dbraw/zinc/12/56/78/1273125678.db2.gz CLIOULWRFSHINP-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580735791 1278834702 /nfs/dbraw/zinc/83/47/02/1278834702.db2.gz LULDLHJYRRCHAX-SNVBAGLBSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580735791 1278834711 /nfs/dbraw/zinc/83/47/11/1278834711.db2.gz LULDLHJYRRCHAX-SNVBAGLBSA-N -1 1 355.406 0.775 20 30 FCEDMM CC[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCO[C@H](CC)C1 ZINC001577176578 1274224861 /nfs/dbraw/zinc/22/48/61/1274224861.db2.gz FFPYOCVOJRBVEN-KOLCDFICSA-N -1 1 359.394 0.289 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577522079 1274468061 /nfs/dbraw/zinc/46/80/61/1274468061.db2.gz BDWRWESKZKUINC-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577522079 1274468064 /nfs/dbraw/zinc/46/80/64/1274468064.db2.gz BDWRWESKZKUINC-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577523301 1274469061 /nfs/dbraw/zinc/46/90/61/1274469061.db2.gz QKJUJKVTFBHFNT-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577523301 1274469063 /nfs/dbraw/zinc/46/90/63/1274469063.db2.gz QKJUJKVTFBHFNT-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(CCNC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578045957 1275332917 /nfs/dbraw/zinc/33/29/17/1275332917.db2.gz UMWNLJIPACQAKS-UHFFFAOYSA-N -1 1 359.394 0.879 20 30 FCEDMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001578148478 1275449298 /nfs/dbraw/zinc/44/92/98/1275449298.db2.gz YUXDNMKVDKSPRW-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001578148478 1275449302 /nfs/dbraw/zinc/44/93/02/1275449302.db2.gz YUXDNMKVDKSPRW-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCOC(=O)C1([C@@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCOCC1 ZINC001578243421 1275544182 /nfs/dbraw/zinc/54/41/82/1275544182.db2.gz XILXJEYGNUXRCY-SNVBAGLBSA-N -1 1 372.389 0.689 20 30 FCEDMM CCOC(=O)C1([C@@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCOCC1 ZINC001578243421 1275544186 /nfs/dbraw/zinc/54/41/86/1275544186.db2.gz XILXJEYGNUXRCY-SNVBAGLBSA-N -1 1 372.389 0.689 20 30 FCEDMM CCOC(=O)[C@]1(COC)CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001578243944 1275546117 /nfs/dbraw/zinc/54/61/17/1275546117.db2.gz FKSBLKCYRJDEQL-MRXNPFEDSA-N -1 1 372.389 0.324 20 30 FCEDMM CCOC(=O)[C@]1(COC)CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001578243944 1275546123 /nfs/dbraw/zinc/54/61/23/1275546123.db2.gz FKSBLKCYRJDEQL-MRXNPFEDSA-N -1 1 372.389 0.324 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)C#CC(C)C)C2)n1 ZINC001578581484 1276014975 /nfs/dbraw/zinc/01/49/75/1276014975.db2.gz ZBHHUDWBOVKXPT-ZDUSSCGKSA-N -1 1 368.445 0.916 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)C#CC(C)C)C2)n1 ZINC001578581484 1276014980 /nfs/dbraw/zinc/01/49/80/1276014980.db2.gz ZBHHUDWBOVKXPT-ZDUSSCGKSA-N -1 1 368.445 0.916 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588508 1276021380 /nfs/dbraw/zinc/02/13/80/1276021380.db2.gz IRGLZFPJVNODLD-NEPJUHHUSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588508 1276021387 /nfs/dbraw/zinc/02/13/87/1276021387.db2.gz IRGLZFPJVNODLD-NEPJUHHUSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001578590853 1276022960 /nfs/dbraw/zinc/02/29/60/1276022960.db2.gz JMYUIECEKFRSPF-QWRGUYRKSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001578590853 1276022965 /nfs/dbraw/zinc/02/29/65/1276022965.db2.gz JMYUIECEKFRSPF-QWRGUYRKSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001578599349 1276031699 /nfs/dbraw/zinc/03/16/99/1276031699.db2.gz KYRSKBBIWGMXJF-WGBDABJCSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)n1 ZINC001578599349 1276031704 /nfs/dbraw/zinc/03/17/04/1276031704.db2.gz KYRSKBBIWGMXJF-WGBDABJCSA-N -1 1 367.417 0.605 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578630480 1276077495 /nfs/dbraw/zinc/07/74/95/1276077495.db2.gz GCKHENWOACWDAX-ZYHUDNBSSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578630480 1276077505 /nfs/dbraw/zinc/07/75/05/1276077505.db2.gz GCKHENWOACWDAX-ZYHUDNBSSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(NC2CC(CNC(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578637559 1276087587 /nfs/dbraw/zinc/08/75/87/1276087587.db2.gz DWXBBAATPYDXPH-WHXUTIOJSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC2CC(CNC(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578637559 1276087591 /nfs/dbraw/zinc/08/75/91/1276087591.db2.gz DWXBBAATPYDXPH-WHXUTIOJSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578912018 1276451488 /nfs/dbraw/zinc/45/14/88/1276451488.db2.gz UICWCWSIMBNAPF-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578912018 1276451490 /nfs/dbraw/zinc/45/14/90/1276451490.db2.gz UICWCWSIMBNAPF-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578955500 1276500205 /nfs/dbraw/zinc/50/02/05/1276500205.db2.gz KXOROVKBXCNXGX-GFCCVEGCSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579289670 1277113461 /nfs/dbraw/zinc/11/34/61/1277113461.db2.gz KTORVBHBYZVGPW-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579289670 1277113462 /nfs/dbraw/zinc/11/34/62/1277113462.db2.gz KTORVBHBYZVGPW-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)Cc2ccccc21 ZINC001579446216 1277334114 /nfs/dbraw/zinc/33/41/14/1277334114.db2.gz IOQMANIMKALXEE-LBPRGKRZSA-N -1 1 362.353 0.805 20 30 FCEDMM COC(=O)[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)Cc2ccccc21 ZINC001579446216 1277334122 /nfs/dbraw/zinc/33/41/22/1277334122.db2.gz IOQMANIMKALXEE-LBPRGKRZSA-N -1 1 362.353 0.805 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189592 1287326186 /nfs/dbraw/zinc/32/61/86/1287326186.db2.gz POECAFGZWOOENR-QWHCGFSZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189592 1287326195 /nfs/dbraw/zinc/32/61/95/1287326195.db2.gz POECAFGZWOOENR-QWHCGFSZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)[C@H](CNC(=O)CSCC#N)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603214758 1287332302 /nfs/dbraw/zinc/33/23/02/1287332302.db2.gz DDQHXXBBUHYBCX-JTQLQIEISA-N -1 1 361.435 0.466 20 30 FCEDMM CC(C)[C@H](CNC(=O)CSCC#N)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603214758 1287332305 /nfs/dbraw/zinc/33/23/05/1287332305.db2.gz DDQHXXBBUHYBCX-JTQLQIEISA-N -1 1 361.435 0.466 20 30 FCEDMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC001603258242 1287341360 /nfs/dbraw/zinc/34/13/60/1287341360.db2.gz IFGNGCBGFJPXQU-UHFFFAOYSA-N -1 1 370.409 0.408 20 30 FCEDMM Cc1cccnc1NC(=O)CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581266088 1279544202 /nfs/dbraw/zinc/54/42/02/1279544202.db2.gz CXUHHZMPIIQURF-UHFFFAOYSA-N -1 1 350.346 0.673 20 30 FCEDMM Cc1nc(-c2nnn[n-]2)cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC001581411232 1279876523 /nfs/dbraw/zinc/87/65/23/1279876523.db2.gz QOXCQZGVNFBFRM-JTQLQIEISA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC001581411232 1279876531 /nfs/dbraw/zinc/87/65/31/1279876531.db2.gz QOXCQZGVNFBFRM-JTQLQIEISA-N -1 1 363.389 0.342 20 30 FCEDMM Cc1nc(C#N)c(N2CCC(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)CC2)o1 ZINC001581411642 1279881517 /nfs/dbraw/zinc/88/15/17/1279881517.db2.gz DYWMXSRDIRIBPD-UHFFFAOYSA-N -1 1 368.361 0.613 20 30 FCEDMM Cc1noc(C)c1CN1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001581632266 1280292656 /nfs/dbraw/zinc/29/26/56/1280292656.db2.gz FYVRBZHYSQCSAF-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM Cc1nsc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1-c1nn[n-]n1 ZINC001581673006 1280381717 /nfs/dbraw/zinc/38/17/17/1280381717.db2.gz UOUATOWKKVSQQN-SNVBAGLBSA-N -1 1 369.414 0.840 20 30 FCEDMM Cc1nsc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001581706178 1280408282 /nfs/dbraw/zinc/40/82/82/1280408282.db2.gz FYINLAUZYIESNW-APPZFPTMSA-N -1 1 350.408 0.023 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2ccc(-n3cnnc3)cc2)nc1-c1nn[nH]n1 ZINC001581860073 1280610075 /nfs/dbraw/zinc/61/00/75/1280610075.db2.gz JNFDSMAPYGDWKG-UHFFFAOYSA-N -1 1 361.329 0.223 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ncsc2Br)nc1-c1nn[nH]n1 ZINC001581860740 1280613119 /nfs/dbraw/zinc/61/31/19/1280613119.db2.gz QYJPXPAODHCEAE-UHFFFAOYSA-N -1 1 366.164 0.933 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864029 1280615208 /nfs/dbraw/zinc/61/52/08/1280615208.db2.gz BSEFTIKSUMDKTK-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864029 1280615220 /nfs/dbraw/zinc/61/52/20/1280615220.db2.gz BSEFTIKSUMDKTK-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581863999 1280615961 /nfs/dbraw/zinc/61/59/61/1280615961.db2.gz APZPYROLURVJAJ-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581863999 1280615967 /nfs/dbraw/zinc/61/59/67/1280615967.db2.gz APZPYROLURVJAJ-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001581863248 1280616707 /nfs/dbraw/zinc/61/67/07/1280616707.db2.gz DJUFOOCOMZIPJT-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001581863248 1280616716 /nfs/dbraw/zinc/61/67/16/1280616716.db2.gz DJUFOOCOMZIPJT-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001581866388 1280620728 /nfs/dbraw/zinc/62/07/28/1280620728.db2.gz ZXCSXHBGYDZIKX-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)[nH]1 ZINC001581867424 1280622877 /nfs/dbraw/zinc/62/28/77/1280622877.db2.gz HVPKOKSEUHXNPQ-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)[nH]1 ZINC001581867424 1280622880 /nfs/dbraw/zinc/62/28/80/1280622880.db2.gz HVPKOKSEUHXNPQ-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001581867743 1280622889 /nfs/dbraw/zinc/62/28/89/1280622889.db2.gz UGLFXWGIKUIWOM-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001581867743 1280622892 /nfs/dbraw/zinc/62/28/92/1280622892.db2.gz UGLFXWGIKUIWOM-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001581867417 1280623102 /nfs/dbraw/zinc/62/31/02/1280623102.db2.gz HNBHGBIWTLSZOS-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001581867417 1280623106 /nfs/dbraw/zinc/62/31/06/1280623106.db2.gz HNBHGBIWTLSZOS-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)[nH]1 ZINC001581867348 1280623844 /nfs/dbraw/zinc/62/38/44/1280623844.db2.gz DSODRNDGSGHZHS-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)[nH]1 ZINC001581867348 1280623851 /nfs/dbraw/zinc/62/38/51/1280623851.db2.gz DSODRNDGSGHZHS-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(CC(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001581869207 1280625532 /nfs/dbraw/zinc/62/55/32/1280625532.db2.gz NBGOTGTTWJKGKV-UHFFFAOYSA-N -1 1 372.352 0.895 20 30 FCEDMM N#Cc1ccsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001581876977 1280632901 /nfs/dbraw/zinc/63/29/01/1280632901.db2.gz NOFAYLAIMGDJBK-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1ccsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001581876977 1280632913 /nfs/dbraw/zinc/63/29/13/1280632913.db2.gz NOFAYLAIMGDJBK-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1nc(NCCN2C(=O)COc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880296 1280638790 /nfs/dbraw/zinc/63/87/90/1280638790.db2.gz FYVNTWBQGPWDDS-UHFFFAOYSA-N -1 1 363.341 0.366 20 30 FCEDMM N#Cc1nc(NCCN2C(=O)COc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880296 1280638799 /nfs/dbraw/zinc/63/87/99/1280638799.db2.gz FYVNTWBQGPWDDS-UHFFFAOYSA-N -1 1 363.341 0.366 20 30 FCEDMM N#Cc1nc(NCCN2C[C@@H]3CCCCN3C2=O)cnc1-c1nnn[n-]1 ZINC001581880470 1280638963 /nfs/dbraw/zinc/63/89/63/1280638963.db2.gz LADPXUUQHIRIRX-JTQLQIEISA-N -1 1 354.378 0.230 20 30 FCEDMM N#Cc1nc(NCCN2C[C@@H]3CCCCN3C2=O)cnc1-c1nn[n-]n1 ZINC001581880470 1280638974 /nfs/dbraw/zinc/63/89/74/1280638974.db2.gz LADPXUUQHIRIRX-JTQLQIEISA-N -1 1 354.378 0.230 20 30 FCEDMM N#Cc1nc(NCCc2cccc3c2OCCO3)cnc1-c1nnn[n-]1 ZINC001581881196 1280642511 /nfs/dbraw/zinc/64/25/11/1280642511.db2.gz OTYPIKAYRLWMQF-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM N#Cc1nc(NCCc2cccc3c2OCCO3)cnc1-c1nn[n-]n1 ZINC001581881196 1280642519 /nfs/dbraw/zinc/64/25/19/1280642519.db2.gz OTYPIKAYRLWMQF-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM N#Cc1ncc(NCC(=O)Nc2ccc(F)c(F)c2)nc1-c1nn[n-]n1 ZINC001581882669 1280643320 /nfs/dbraw/zinc/64/33/20/1280643320.db2.gz FMAGVKXUKXOWNX-UHFFFAOYSA-N -1 1 357.284 0.857 20 30 FCEDMM N#Cc1ncc(NC[C@@H]2CS(=O)(=O)c3ccccc32)nc1-c1nn[n-]n1 ZINC001581883922 1280650580 /nfs/dbraw/zinc/65/05/80/1280650580.db2.gz CCXCBCFTMMGYSI-SECBINFHSA-N -1 1 368.382 0.511 20 30 FCEDMM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001603610677 1287442642 /nfs/dbraw/zinc/44/26/42/1287442642.db2.gz DBJIYBWZANZRAK-QMMMGPOBSA-N -1 1 357.378 0.485 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001581912350 1280714848 /nfs/dbraw/zinc/71/48/48/1280714848.db2.gz GVSSCCVUIQHDLA-SFHVURJKSA-N -1 1 364.413 0.499 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001581912350 1280714855 /nfs/dbraw/zinc/71/48/55/1280714855.db2.gz GVSSCCVUIQHDLA-SFHVURJKSA-N -1 1 364.413 0.499 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581912722 1280716308 /nfs/dbraw/zinc/71/63/08/1280716308.db2.gz VZSSTHSCSFNYIG-SCLBCKFNSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001581912663 1280716750 /nfs/dbraw/zinc/71/67/50/1280716750.db2.gz TUTKXHRUOBVSQD-UHFFFAOYSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001581912663 1280716755 /nfs/dbraw/zinc/71/67/55/1280716755.db2.gz TUTKXHRUOBVSQD-UHFFFAOYSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001581912751 1280717261 /nfs/dbraw/zinc/71/72/61/1280717261.db2.gz XEALLUQSDQJNCU-AWEZNQCLSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001581912751 1280717266 /nfs/dbraw/zinc/71/72/66/1280717266.db2.gz XEALLUQSDQJNCU-AWEZNQCLSA-N -1 1 364.413 0.545 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603643576 1287454554 /nfs/dbraw/zinc/45/45/54/1287454554.db2.gz REIORERLLZRUPG-RKDXNWHRSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603643576 1287454560 /nfs/dbraw/zinc/45/45/60/1287454560.db2.gz REIORERLLZRUPG-RKDXNWHRSA-N -1 1 369.341 0.861 20 30 FCEDMM N#Cc1cn(CCNC(=O)c2n[nH]c3ccc(Cl)cc32)c(=O)[n-]c1=O ZINC001633549843 1282254620 /nfs/dbraw/zinc/25/46/20/1282254620.db2.gz AVDWDIHMBKSLRZ-UHFFFAOYSA-N -1 1 358.745 0.780 20 30 FCEDMM C#C[C@@H](CCC)NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588327459 1282420046 /nfs/dbraw/zinc/42/00/46/1282420046.db2.gz JQDIIKMITBKVDF-ZDUSSCGKSA-N -1 1 354.418 0.895 20 30 FCEDMM C#C[C@@H](CCC)NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588327459 1282420049 /nfs/dbraw/zinc/42/00/49/1282420049.db2.gz JQDIIKMITBKVDF-ZDUSSCGKSA-N -1 1 354.418 0.895 20 30 FCEDMM C#CC1CCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2CCOC)CC1 ZINC001588331872 1282423954 /nfs/dbraw/zinc/42/39/54/1282423954.db2.gz XDNWYCHASHODSX-UHFFFAOYSA-N -1 1 368.405 0.344 20 30 FCEDMM C#CC[C@H](COC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588333730 1282424906 /nfs/dbraw/zinc/42/49/06/1282424906.db2.gz CNRUXUALRUFJNH-GFCCVEGCSA-N -1 1 358.402 0.671 20 30 FCEDMM C#CC1(O)CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC001588333542 1282425917 /nfs/dbraw/zinc/42/59/17/1282425917.db2.gz WGGAUCQVZAANCM-UHFFFAOYSA-N -1 1 368.332 0.403 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335965 1282429069 /nfs/dbraw/zinc/42/90/69/1282429069.db2.gz DNKFCVKDJXKCLU-OLZOCXBDSA-N -1 1 354.418 0.389 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335893 1282429401 /nfs/dbraw/zinc/42/94/01/1282429401.db2.gz BOSKKNRZYZMXJQ-ZIAGYGMSSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCC(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588335878 1282429737 /nfs/dbraw/zinc/42/97/37/1282429737.db2.gz BGBJLGQNNRZTTL-ZDUSSCGKSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588338555 1282432204 /nfs/dbraw/zinc/43/22/04/1282432204.db2.gz FAYGSFQEOJNQHQ-QWHCGFSZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588338555 1282432209 /nfs/dbraw/zinc/43/22/09/1282432209.db2.gz FAYGSFQEOJNQHQ-QWHCGFSZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338513 1282432240 /nfs/dbraw/zinc/43/22/40/1282432240.db2.gz DIHNBFPZWXIESA-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338513 1282432243 /nfs/dbraw/zinc/43/22/43/1282432243.db2.gz DIHNBFPZWXIESA-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588340262 1282434155 /nfs/dbraw/zinc/43/41/55/1282434155.db2.gz KMOIRDYDHGSRHY-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588340262 1282434160 /nfs/dbraw/zinc/43/41/60/1282434160.db2.gz KMOIRDYDHGSRHY-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588340844 1282435463 /nfs/dbraw/zinc/43/54/63/1282435463.db2.gz ILLKJCYOBFDQDS-CHWSQXEVSA-N -1 1 354.418 0.649 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588340554 1282435592 /nfs/dbraw/zinc/43/55/92/1282435592.db2.gz UUIVMXHYXHNLRG-XYYAHUGASA-N -1 1 352.402 0.259 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588340554 1282435600 /nfs/dbraw/zinc/43/56/00/1282435600.db2.gz UUIVMXHYXHNLRG-XYYAHUGASA-N -1 1 352.402 0.259 20 30 FCEDMM C#CCCCC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588340404 1282436294 /nfs/dbraw/zinc/43/62/94/1282436294.db2.gz OMYRKFAKIGHADK-UHFFFAOYSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588340404 1282436298 /nfs/dbraw/zinc/43/62/98/1282436298.db2.gz OMYRKFAKIGHADK-UHFFFAOYSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588341063 1282436372 /nfs/dbraw/zinc/43/63/72/1282436372.db2.gz UIHYSLAMVXBDFY-BXUZGUMPSA-N -1 1 354.418 0.710 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588341063 1282436373 /nfs/dbraw/zinc/43/63/73/1282436373.db2.gz UIHYSLAMVXBDFY-BXUZGUMPSA-N -1 1 354.418 0.710 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588341918 1282438972 /nfs/dbraw/zinc/43/89/72/1282438972.db2.gz SNAABZHQQFNIJP-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588341918 1282438976 /nfs/dbraw/zinc/43/89/76/1282438976.db2.gz SNAABZHQQFNIJP-CYBMUJFWSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588348370 1282441672 /nfs/dbraw/zinc/44/16/72/1282441672.db2.gz SLZREYFQOKEZED-JSGCOSHPSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)C1CCC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588348393 1282442069 /nfs/dbraw/zinc/44/20/69/1282442069.db2.gz UAQWDPPEKBMFLS-UHFFFAOYSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCN(C(=O)C1CCC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588348393 1282442075 /nfs/dbraw/zinc/44/20/75/1282442075.db2.gz UAQWDPPEKBMFLS-UHFFFAOYSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588347230 1282442404 /nfs/dbraw/zinc/44/24/04/1282442404.db2.gz KIDDFIIHKKPJPR-ZDUSSCGKSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588347230 1282442410 /nfs/dbraw/zinc/44/24/10/1282442410.db2.gz KIDDFIIHKKPJPR-ZDUSSCGKSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354824 1282449058 /nfs/dbraw/zinc/44/90/58/1282449058.db2.gz AJJVJWAVTFOFOF-SJCJKPOMSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354824 1282449060 /nfs/dbraw/zinc/44/90/60/1282449060.db2.gz AJJVJWAVTFOFOF-SJCJKPOMSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCNC(=O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001588353155 1282449732 /nfs/dbraw/zinc/44/97/32/1282449732.db2.gz ITUSXLCINXIRLC-UHFFFAOYSA-N -1 1 373.442 0.599 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588355187 1282453377 /nfs/dbraw/zinc/45/33/77/1282453377.db2.gz FXCVTAMMCVJNJL-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588355187 1282453388 /nfs/dbraw/zinc/45/33/88/1282453388.db2.gz FXCVTAMMCVJNJL-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588355675 1282454723 /nfs/dbraw/zinc/45/47/23/1282454723.db2.gz LEMABAMONQFZBG-WDEREUQCSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588355675 1282454728 /nfs/dbraw/zinc/45/47/28/1282454728.db2.gz LEMABAMONQFZBG-WDEREUQCSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588355839 1282457719 /nfs/dbraw/zinc/45/77/19/1282457719.db2.gz NOGICORGMZXWHE-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588355839 1282457723 /nfs/dbraw/zinc/45/77/23/1282457723.db2.gz NOGICORGMZXWHE-STQMWFEESA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588356467 1282458524 /nfs/dbraw/zinc/45/85/24/1282458524.db2.gz CDAGSVHNBCYGCN-WCQYABFASA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588356467 1282458528 /nfs/dbraw/zinc/45/85/28/1282458528.db2.gz CDAGSVHNBCYGCN-WCQYABFASA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356550 1282460819 /nfs/dbraw/zinc/46/08/19/1282460819.db2.gz DIIJGDCCIYNDIV-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356550 1282460824 /nfs/dbraw/zinc/46/08/24/1282460824.db2.gz DIIJGDCCIYNDIV-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356926 1282462909 /nfs/dbraw/zinc/46/29/09/1282462909.db2.gz HXROVDKIXORKJT-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356926 1282462916 /nfs/dbraw/zinc/46/29/16/1282462916.db2.gz HXROVDKIXORKJT-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588357039 1282463171 /nfs/dbraw/zinc/46/31/71/1282463171.db2.gz IWINFXUAOCEKIO-GFCCVEGCSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588357629 1282466923 /nfs/dbraw/zinc/46/69/23/1282466923.db2.gz OADYGTODGIJRTC-JGVFFNPUSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588357629 1282466929 /nfs/dbraw/zinc/46/69/29/1282466929.db2.gz OADYGTODGIJRTC-JGVFFNPUSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358723 1282471467 /nfs/dbraw/zinc/47/14/67/1282471467.db2.gz ACSXIILPTBDTOO-NEPJUHHUSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358723 1282471473 /nfs/dbraw/zinc/47/14/73/1282471473.db2.gz ACSXIILPTBDTOO-NEPJUHHUSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001588359102 1282472711 /nfs/dbraw/zinc/47/27/11/1282472711.db2.gz HKCCQRDBQGKMIL-LBPRGKRZSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001588359102 1282472719 /nfs/dbraw/zinc/47/27/19/1282472719.db2.gz HKCCQRDBQGKMIL-LBPRGKRZSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588359869 1282476662 /nfs/dbraw/zinc/47/66/62/1282476662.db2.gz ZSQBFDTVYBLYEE-RYUDHWBXSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588359869 1282476666 /nfs/dbraw/zinc/47/66/66/1282476666.db2.gz ZSQBFDTVYBLYEE-RYUDHWBXSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588361085 1282479922 /nfs/dbraw/zinc/47/99/22/1282479922.db2.gz DENNHKJISMCBGY-UHFFFAOYSA-N -1 1 361.431 0.732 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588361098 1282480851 /nfs/dbraw/zinc/48/08/51/1282480851.db2.gz DPTCCOABZZGOEL-GFCCVEGCSA-N -1 1 358.406 0.312 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588361098 1282480855 /nfs/dbraw/zinc/48/08/55/1282480855.db2.gz DPTCCOABZZGOEL-GFCCVEGCSA-N -1 1 358.406 0.312 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588361056 1282481014 /nfs/dbraw/zinc/48/10/14/1282481014.db2.gz CPZZCJYNEPJZED-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588361056 1282481017 /nfs/dbraw/zinc/48/10/17/1282481017.db2.gz CPZZCJYNEPJZED-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001588364111 1282489364 /nfs/dbraw/zinc/48/93/64/1282489364.db2.gz UPRWPIRXAUJZEC-UHFFFAOYSA-N -1 1 355.358 0.578 20 30 FCEDMM C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001588364111 1282489368 /nfs/dbraw/zinc/48/93/68/1282489368.db2.gz UPRWPIRXAUJZEC-UHFFFAOYSA-N -1 1 355.358 0.578 20 30 FCEDMM C#CCn1ccc(CN(CC)Cc2cnc3c(-c4nnn[n-]4)cnn3c2)n1 ZINC001588364022 1282490070 /nfs/dbraw/zinc/49/00/70/1282490070.db2.gz NZCDBFBFHFTIOZ-UHFFFAOYSA-N -1 1 362.401 0.761 20 30 FCEDMM C#CCn1ccc(CN(CC)Cc2cnc3c(-c4nn[n-]n4)cnn3c2)n1 ZINC001588364022 1282490074 /nfs/dbraw/zinc/49/00/74/1282490074.db2.gz NZCDBFBFHFTIOZ-UHFFFAOYSA-N -1 1 362.401 0.761 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001588364731 1282491219 /nfs/dbraw/zinc/49/12/19/1282491219.db2.gz LNMJFMLCMYYGFA-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001588364286 1282491744 /nfs/dbraw/zinc/49/17/44/1282491744.db2.gz CSVOUYSEBZREOY-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001588364286 1282491751 /nfs/dbraw/zinc/49/17/51/1282491751.db2.gz CSVOUYSEBZREOY-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588364429 1282492137 /nfs/dbraw/zinc/49/21/37/1282492137.db2.gz FGLKZPQYLUZFFR-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588364429 1282492142 /nfs/dbraw/zinc/49/21/42/1282492142.db2.gz FGLKZPQYLUZFFR-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588371349 1282494272 /nfs/dbraw/zinc/49/42/72/1282494272.db2.gz DKQKRFAIHLCZIN-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588371349 1282494276 /nfs/dbraw/zinc/49/42/76/1282494276.db2.gz DKQKRFAIHLCZIN-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380326 1282494717 /nfs/dbraw/zinc/49/47/17/1282494717.db2.gz BKXXQKFMGMTWLN-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380326 1282494723 /nfs/dbraw/zinc/49/47/23/1282494723.db2.gz BKXXQKFMGMTWLN-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588391532 1282497874 /nfs/dbraw/zinc/49/78/74/1282497874.db2.gz MKDTXLBKCZWETF-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588391532 1282497881 /nfs/dbraw/zinc/49/78/81/1282497881.db2.gz MKDTXLBKCZWETF-GFCCVEGCSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)OCC ZINC001588402904 1282499853 /nfs/dbraw/zinc/49/98/53/1282499853.db2.gz OZHNGHBTURLHQG-CYBMUJFWSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)OCC ZINC001588402904 1282499856 /nfs/dbraw/zinc/49/98/56/1282499856.db2.gz OZHNGHBTURLHQG-CYBMUJFWSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001588411756 1282502563 /nfs/dbraw/zinc/50/25/63/1282502563.db2.gz JCSGTGHXVPSPRR-BETUJISGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588411756 1282502577 /nfs/dbraw/zinc/50/25/77/1282502577.db2.gz JCSGTGHXVPSPRR-BETUJISGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588418302 1282504634 /nfs/dbraw/zinc/50/46/34/1282504634.db2.gz ZELKPIMBBASQJB-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588418302 1282504644 /nfs/dbraw/zinc/50/46/44/1282504644.db2.gz ZELKPIMBBASQJB-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588417649 1282505804 /nfs/dbraw/zinc/50/58/04/1282505804.db2.gz AMJHRNRLWOEPRL-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588417649 1282505811 /nfs/dbraw/zinc/50/58/11/1282505811.db2.gz AMJHRNRLWOEPRL-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001588443774 1282507920 /nfs/dbraw/zinc/50/79/20/1282507920.db2.gz YREHCMYOWWJZJV-OBJOEFQTSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001588443774 1282507929 /nfs/dbraw/zinc/50/79/29/1282507929.db2.gz YREHCMYOWWJZJV-OBJOEFQTSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588443175 1282508372 /nfs/dbraw/zinc/50/83/72/1282508372.db2.gz OBEPZQIKLITHGF-HUBLWGQQSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588443175 1282508387 /nfs/dbraw/zinc/50/83/87/1282508387.db2.gz OBEPZQIKLITHGF-HUBLWGQQSA-N -1 1 370.417 0.333 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001588474481 1282513543 /nfs/dbraw/zinc/51/35/43/1282513543.db2.gz GOLOCAUVCBIJAR-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001588474481 1282513552 /nfs/dbraw/zinc/51/35/52/1282513552.db2.gz GOLOCAUVCBIJAR-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1cncc(-c2nnn[n-]2)n1 ZINC001588478147 1282516823 /nfs/dbraw/zinc/51/68/23/1282516823.db2.gz WKHSDLJAQKVZPD-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1cncc(-c2nn[n-]n2)n1 ZINC001588478147 1282516831 /nfs/dbraw/zinc/51/68/31/1282516831.db2.gz WKHSDLJAQKVZPD-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588476320 1282517453 /nfs/dbraw/zinc/51/74/53/1282517453.db2.gz VALWVKUQFIDZND-KRWDZBQOSA-N -1 1 372.433 0.056 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588488623 1282520293 /nfs/dbraw/zinc/52/02/93/1282520293.db2.gz KHFACGUGVNGVOJ-SJKOYZFVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588488623 1282520299 /nfs/dbraw/zinc/52/02/99/1282520299.db2.gz KHFACGUGVNGVOJ-SJKOYZFVSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588495297 1282522118 /nfs/dbraw/zinc/52/21/18/1282522118.db2.gz BJAPZTGXJZEXIW-PSTGCABASA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588495297 1282522131 /nfs/dbraw/zinc/52/21/31/1282522131.db2.gz BJAPZTGXJZEXIW-PSTGCABASA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001588495623 1282524958 /nfs/dbraw/zinc/52/49/58/1282524958.db2.gz HAXDKRRXYTUSSY-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001588495623 1282524966 /nfs/dbraw/zinc/52/49/66/1282524966.db2.gz HAXDKRRXYTUSSY-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588497260 1282525776 /nfs/dbraw/zinc/52/57/76/1282525776.db2.gz YTXITMLXAHGVKX-SJCJKPOMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588497260 1282525786 /nfs/dbraw/zinc/52/57/86/1282525786.db2.gz YTXITMLXAHGVKX-SJCJKPOMSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001588495653 1282527178 /nfs/dbraw/zinc/52/71/78/1282527178.db2.gz HQGSDECYUREBME-XNJGSVPQSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588495653 1282527195 /nfs/dbraw/zinc/52/71/95/1282527195.db2.gz HQGSDECYUREBME-XNJGSVPQSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001588500952 1282534198 /nfs/dbraw/zinc/53/41/98/1282534198.db2.gz HECGCIQRVSAFJB-INIZCTEOSA-N -1 1 372.433 0.247 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588501935 1282537698 /nfs/dbraw/zinc/53/76/98/1282537698.db2.gz PMZADIMTGJIROG-YVEFUNNKSA-N -1 1 372.433 0.199 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588502971 1282539502 /nfs/dbraw/zinc/53/95/02/1282539502.db2.gz VKQSSEYXPXKXRN-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588502971 1282539514 /nfs/dbraw/zinc/53/95/14/1282539514.db2.gz VKQSSEYXPXKXRN-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588504087 1282542444 /nfs/dbraw/zinc/54/24/44/1282542444.db2.gz ISHPPTHLKWLXKO-PXAZEXFGSA-N -1 1 374.449 0.623 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588504087 1282542455 /nfs/dbraw/zinc/54/24/55/1282542455.db2.gz ISHPPTHLKWLXKO-PXAZEXFGSA-N -1 1 374.449 0.623 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588503723 1282542478 /nfs/dbraw/zinc/54/24/78/1282542478.db2.gz DSDJRGUIPURYHH-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588503723 1282542486 /nfs/dbraw/zinc/54/24/86/1282542486.db2.gz DSDJRGUIPURYHH-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588505231 1282546140 /nfs/dbraw/zinc/54/61/40/1282546140.db2.gz NRXHEURNYWTMNT-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588505231 1282546145 /nfs/dbraw/zinc/54/61/45/1282546145.db2.gz NRXHEURNYWTMNT-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588505837 1282547863 /nfs/dbraw/zinc/54/78/63/1282547863.db2.gz YHPARKRFCBBYKK-MGPLVRAMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588505837 1282547871 /nfs/dbraw/zinc/54/78/71/1282547871.db2.gz YHPARKRFCBBYKK-MGPLVRAMSA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588519071 1282555408 /nfs/dbraw/zinc/55/54/08/1282555408.db2.gz RGFHLTNBGVSLAN-QWHCGFSZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588519071 1282555414 /nfs/dbraw/zinc/55/54/14/1282555414.db2.gz RGFHLTNBGVSLAN-QWHCGFSZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588524065 1282558911 /nfs/dbraw/zinc/55/89/11/1282558911.db2.gz OJLVVZJOMUKGEY-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588524065 1282558921 /nfs/dbraw/zinc/55/89/21/1282558921.db2.gz OJLVVZJOMUKGEY-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001588548504 1282565036 /nfs/dbraw/zinc/56/50/36/1282565036.db2.gz DZNXTVHZZLRKHB-UHFFFAOYSA-N -1 1 372.433 0.636 20 30 FCEDMM C=CCC1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001588548504 1282565046 /nfs/dbraw/zinc/56/50/46/1282565046.db2.gz DZNXTVHZZLRKHB-UHFFFAOYSA-N -1 1 372.433 0.636 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCC1 ZINC001588556567 1282567235 /nfs/dbraw/zinc/56/72/35/1282567235.db2.gz NHOWTPHPTLMYRD-JYAVWHMHSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCC1 ZINC001588556567 1282567246 /nfs/dbraw/zinc/56/72/46/1282567246.db2.gz NHOWTPHPTLMYRD-JYAVWHMHSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001588571733 1282569495 /nfs/dbraw/zinc/56/94/95/1282569495.db2.gz ZWKDPUDRYSCBGY-XYYAHUGASA-N -1 1 368.445 0.984 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001588571733 1282569507 /nfs/dbraw/zinc/56/95/07/1282569507.db2.gz ZWKDPUDRYSCBGY-XYYAHUGASA-N -1 1 368.445 0.984 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588570902 1282571038 /nfs/dbraw/zinc/57/10/38/1282571038.db2.gz DTHGGELQDCLVQZ-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588570902 1282571045 /nfs/dbraw/zinc/57/10/45/1282571045.db2.gz DTHGGELQDCLVQZ-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588607935 1282580203 /nfs/dbraw/zinc/58/02/03/1282580203.db2.gz ALXVTFFZBQJGKL-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588607935 1282580211 /nfs/dbraw/zinc/58/02/11/1282580211.db2.gz ALXVTFFZBQJGKL-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588608041 1282580697 /nfs/dbraw/zinc/58/06/97/1282580697.db2.gz DBEUPDYNMNMLHD-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588608041 1282580705 /nfs/dbraw/zinc/58/07/05/1282580705.db2.gz DBEUPDYNMNMLHD-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588608113 1282581251 /nfs/dbraw/zinc/58/12/51/1282581251.db2.gz FMILSYQOHQEGDB-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588608113 1282581258 /nfs/dbraw/zinc/58/12/58/1282581258.db2.gz FMILSYQOHQEGDB-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588608493 1282583220 /nfs/dbraw/zinc/58/32/20/1282583220.db2.gz NHQZSDGITBANFO-ZDUSSCGKSA-N -1 1 374.449 0.841 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588608493 1282583230 /nfs/dbraw/zinc/58/32/30/1282583230.db2.gz NHQZSDGITBANFO-ZDUSSCGKSA-N -1 1 374.449 0.841 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588608687 1282584399 /nfs/dbraw/zinc/58/43/99/1282584399.db2.gz PEGHSKLOFQNVOF-GFCCVEGCSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588608687 1282584411 /nfs/dbraw/zinc/58/44/11/1282584411.db2.gz PEGHSKLOFQNVOF-GFCCVEGCSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588609525 1282586242 /nfs/dbraw/zinc/58/62/42/1282586242.db2.gz XTQMIZGOJGPMST-OLZOCXBDSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588609525 1282586251 /nfs/dbraw/zinc/58/62/51/1282586251.db2.gz XTQMIZGOJGPMST-OLZOCXBDSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588610611 1282590741 /nfs/dbraw/zinc/59/07/41/1282590741.db2.gz ISJQWNGANXCIBB-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588610611 1282590752 /nfs/dbraw/zinc/59/07/52/1282590752.db2.gz ISJQWNGANXCIBB-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588611897 1282592187 /nfs/dbraw/zinc/59/21/87/1282592187.db2.gz ZENZKQVFKXABLC-ZDUSSCGKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588611897 1282592202 /nfs/dbraw/zinc/59/22/02/1282592202.db2.gz ZENZKQVFKXABLC-ZDUSSCGKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1CC ZINC001588615874 1282592676 /nfs/dbraw/zinc/59/26/76/1282592676.db2.gz LLRMHBOOHNSYLF-GXTWGEPZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1CC ZINC001588615874 1282592684 /nfs/dbraw/zinc/59/26/84/1282592684.db2.gz LLRMHBOOHNSYLF-GXTWGEPZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588611910 1282592930 /nfs/dbraw/zinc/59/29/30/1282592930.db2.gz ZKLRUWAQSYPMHV-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588611910 1282592941 /nfs/dbraw/zinc/59/29/41/1282592941.db2.gz ZKLRUWAQSYPMHV-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588616273 1282594871 /nfs/dbraw/zinc/59/48/71/1282594871.db2.gz CFDWHAGLUXFEQH-GFCCVEGCSA-N -1 1 374.449 0.614 20 30 FCEDMM C=CCCOCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588616466 1282595258 /nfs/dbraw/zinc/59/52/58/1282595258.db2.gz GOJQLWIXPBXQHB-QGZVFWFLSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCOCC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588616466 1282595268 /nfs/dbraw/zinc/59/52/68/1282595268.db2.gz GOJQLWIXPBXQHB-QGZVFWFLSA-N -1 1 372.433 0.643 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588616084 1282596452 /nfs/dbraw/zinc/59/64/52/1282596452.db2.gz UXZDNVXRVBTTDR-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001588616505 1282597298 /nfs/dbraw/zinc/59/72/98/1282597298.db2.gz HZEMCOAZEZVCFQ-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001588616505 1282597307 /nfs/dbraw/zinc/59/73/07/1282597307.db2.gz HZEMCOAZEZVCFQ-BETUJISGSA-N -1 1 370.417 0.144 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588617142 1282598767 /nfs/dbraw/zinc/59/87/67/1282598767.db2.gz RPVJNPHMSKXXTE-GXTWGEPZSA-N -1 1 370.417 0.287 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588617142 1282598775 /nfs/dbraw/zinc/59/87/75/1282598775.db2.gz RPVJNPHMSKXXTE-GXTWGEPZSA-N -1 1 370.417 0.287 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588617308 1282599869 /nfs/dbraw/zinc/59/98/69/1282599869.db2.gz UEKKLMARHRRRRO-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCN(CC(F)(F)F)C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588628029 1282603195 /nfs/dbraw/zinc/60/31/95/1282603195.db2.gz OGZFYGCMSOXNTR-UHFFFAOYSA-N -1 1 373.295 0.096 20 30 FCEDMM C=CCNC(=O)NC(=O)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588658452 1282611493 /nfs/dbraw/zinc/61/14/93/1282611493.db2.gz KZOHEETUGUISGU-UHFFFAOYSA-N -1 1 371.279 0.059 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588666225 1282620179 /nfs/dbraw/zinc/62/01/79/1282620179.db2.gz CELCYNSTGMHECI-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588666225 1282620186 /nfs/dbraw/zinc/62/01/86/1282620186.db2.gz CELCYNSTGMHECI-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588666070 1282621513 /nfs/dbraw/zinc/62/15/13/1282621513.db2.gz YMNZBLITBXUAKX-UHFFFAOYSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588666070 1282621524 /nfs/dbraw/zinc/62/15/24/1282621524.db2.gz YMNZBLITBXUAKX-UHFFFAOYSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588667241 1282622585 /nfs/dbraw/zinc/62/25/85/1282622585.db2.gz SUZJYUMSYYYWIN-NWDGAFQWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588667241 1282622594 /nfs/dbraw/zinc/62/25/94/1282622594.db2.gz SUZJYUMSYYYWIN-NWDGAFQWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001588671858 1282629148 /nfs/dbraw/zinc/62/91/48/1282629148.db2.gz OLAAAOWTDYRAGI-ZDUSSCGKSA-N -1 1 358.406 0.474 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001588671858 1282629160 /nfs/dbraw/zinc/62/91/60/1282629160.db2.gz OLAAAOWTDYRAGI-ZDUSSCGKSA-N -1 1 358.406 0.474 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588676609 1282634607 /nfs/dbraw/zinc/63/46/07/1282634607.db2.gz XKZPSGGKGAHYRT-VXGBXAGGSA-N -1 1 358.406 0.048 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588676609 1282634622 /nfs/dbraw/zinc/63/46/22/1282634622.db2.gz XKZPSGGKGAHYRT-VXGBXAGGSA-N -1 1 358.406 0.048 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588681061 1282637076 /nfs/dbraw/zinc/63/70/76/1282637076.db2.gz IIGPLXCODKFVLB-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588681061 1282637088 /nfs/dbraw/zinc/63/70/88/1282637088.db2.gz IIGPLXCODKFVLB-CYBMUJFWSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588680777 1282638145 /nfs/dbraw/zinc/63/81/45/1282638145.db2.gz CWXUZEAFVYWAON-CHWSQXEVSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC001588689968 1282650579 /nfs/dbraw/zinc/65/05/79/1282650579.db2.gz QKRHPWQFPOBETN-UHFFFAOYSA-N -1 1 369.385 0.441 20 30 FCEDMM C=CCOc1ccccc1CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001588688183 1282650625 /nfs/dbraw/zinc/65/06/25/1282650625.db2.gz AGADPZXGVDFCKK-UHFFFAOYSA-N -1 1 355.358 0.843 20 30 FCEDMM C=CCn1c(C)cc(C(=O)Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)c1C ZINC001588703081 1282651260 /nfs/dbraw/zinc/65/12/60/1282651260.db2.gz ISDXKUVXPMXPSW-UHFFFAOYSA-N -1 1 369.385 0.214 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1CCS(=O)CC1 ZINC001588700469 1282651335 /nfs/dbraw/zinc/65/13/35/1282651335.db2.gz RYVWXFSCKZNRPN-UHFFFAOYSA-N -1 1 371.430 0.275 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1CCS(=O)CC1 ZINC001588700469 1282651347 /nfs/dbraw/zinc/65/13/47/1282651347.db2.gz RYVWXFSCKZNRPN-UHFFFAOYSA-N -1 1 371.430 0.275 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CC[C@H](OCC)C1 ZINC001588700158 1282652096 /nfs/dbraw/zinc/65/20/96/1282652096.db2.gz QQRBCOABJAHPEC-JTQLQIEISA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@H](CF)C1 ZINC001588710000 1282655593 /nfs/dbraw/zinc/65/55/93/1282655593.db2.gz ZUZSQLOTIBPVIE-SNVBAGLBSA-N -1 1 359.373 0.080 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588718268 1282663163 /nfs/dbraw/zinc/66/31/63/1282663163.db2.gz FHLKMHHBGNHBJI-SCRDCRAPSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588718268 1282663176 /nfs/dbraw/zinc/66/31/76/1282663176.db2.gz FHLKMHHBGNHBJI-SCRDCRAPSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588718267 1282664640 /nfs/dbraw/zinc/66/46/40/1282664640.db2.gz FHLKMHHBGNHBJI-BZPMIXESSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588718267 1282664652 /nfs/dbraw/zinc/66/46/52/1282664652.db2.gz FHLKMHHBGNHBJI-BZPMIXESSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588721089 1282665602 /nfs/dbraw/zinc/66/56/02/1282665602.db2.gz BOBHIYGKBNRLMU-BZPMIXESSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588721089 1282665620 /nfs/dbraw/zinc/66/56/20/1282665620.db2.gz BOBHIYGKBNRLMU-BZPMIXESSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588721469 1282666545 /nfs/dbraw/zinc/66/65/45/1282666545.db2.gz IMNOHWCDADRLHE-WZRBSPASSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588721469 1282666565 /nfs/dbraw/zinc/66/65/65/1282666565.db2.gz IMNOHWCDADRLHE-WZRBSPASSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588721988 1282666887 /nfs/dbraw/zinc/66/68/87/1282666887.db2.gz RFZSSIAPSXVBAW-BZPMIXESSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588721988 1282666900 /nfs/dbraw/zinc/66/69/00/1282666900.db2.gz RFZSSIAPSXVBAW-BZPMIXESSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588721787 1282667902 /nfs/dbraw/zinc/66/79/02/1282667902.db2.gz NCHWIMWPWZOVFH-UTUOFQBUSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001588722563 1282668286 /nfs/dbraw/zinc/66/82/86/1282668286.db2.gz ZWPXARVCSHDCKE-XQQFMLRXSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001588722563 1282668301 /nfs/dbraw/zinc/66/83/01/1282668301.db2.gz ZWPXARVCSHDCKE-XQQFMLRXSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588722782 1282669503 /nfs/dbraw/zinc/66/95/03/1282669503.db2.gz BSKRLNSUSKHEPW-YPMHNXCESA-N -1 1 372.433 0.363 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588722782 1282669508 /nfs/dbraw/zinc/66/95/08/1282669508.db2.gz BSKRLNSUSKHEPW-YPMHNXCESA-N -1 1 372.433 0.363 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588724066 1282670503 /nfs/dbraw/zinc/67/05/03/1282670503.db2.gz URPKNPSIRJQMPI-BZPMIXESSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588724066 1282670514 /nfs/dbraw/zinc/67/05/14/1282670514.db2.gz URPKNPSIRJQMPI-BZPMIXESSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588722965 1282673237 /nfs/dbraw/zinc/67/32/37/1282673237.db2.gz FBOOXXBBSDHMLQ-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588722965 1282673262 /nfs/dbraw/zinc/67/32/62/1282673262.db2.gz FBOOXXBBSDHMLQ-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001588724047 1282673411 /nfs/dbraw/zinc/67/34/11/1282673411.db2.gz UNVLDROQLCGGMF-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001588724047 1282673415 /nfs/dbraw/zinc/67/34/15/1282673415.db2.gz UNVLDROQLCGGMF-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001588725946 1282673949 /nfs/dbraw/zinc/67/39/49/1282673949.db2.gz OZBNELXETOLVRS-QWRGUYRKSA-N -1 1 355.445 0.939 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588725430 1282676003 /nfs/dbraw/zinc/67/60/03/1282676003.db2.gz DLORBNRXKRLZOR-SCRDCRAPSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588725430 1282676014 /nfs/dbraw/zinc/67/60/14/1282676014.db2.gz DLORBNRXKRLZOR-SCRDCRAPSA-N -1 1 370.417 0.333 20 30 FCEDMM CC#CCCCC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588738756 1282679617 /nfs/dbraw/zinc/67/96/17/1282679617.db2.gz YWISXNXFUDLFTJ-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM CC#CCCCC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588738756 1282679633 /nfs/dbraw/zinc/67/96/33/1282679633.db2.gz YWISXNXFUDLFTJ-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588744237 1282687616 /nfs/dbraw/zinc/68/76/16/1282687616.db2.gz VINYAABXPVADJB-CHWSQXEVSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(=O)NCCc1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)s1 ZINC001588865530 1282720737 /nfs/dbraw/zinc/72/07/37/1282720737.db2.gz ZCPFRJXNUCKJHA-UHFFFAOYSA-N -1 1 370.398 0.558 20 30 FCEDMM C[C@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027261 1282778575 /nfs/dbraw/zinc/77/85/75/1282778575.db2.gz MLZLXDGXYUMYJN-SECBINFHSA-N -1 1 367.329 0.073 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589068756 1282792775 /nfs/dbraw/zinc/79/27/75/1282792775.db2.gz XCXQQJOPXJBDIC-CYBMUJFWSA-N -1 1 368.445 0.779 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589379840 1282855065 /nfs/dbraw/zinc/85/50/65/1282855065.db2.gz CJMGIGYIZLRBDQ-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589379840 1282855073 /nfs/dbraw/zinc/85/50/73/1282855073.db2.gz CJMGIGYIZLRBDQ-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385277 1282859387 /nfs/dbraw/zinc/85/93/87/1282859387.db2.gz YPVSWDSIQVSCTH-KBPBESRZSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001589387639 1282862645 /nfs/dbraw/zinc/86/26/45/1282862645.db2.gz NEAYLQDPWGHTBH-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589389504 1282868645 /nfs/dbraw/zinc/86/86/45/1282868645.db2.gz FXNOLIOLAIEOLQ-UHFFFAOYSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589389504 1282868656 /nfs/dbraw/zinc/86/86/56/1282868656.db2.gz FXNOLIOLAIEOLQ-UHFFFAOYSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589390010 1282869535 /nfs/dbraw/zinc/86/95/35/1282869535.db2.gz WYEFPWPXMDQNGP-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589390010 1282869544 /nfs/dbraw/zinc/86/95/44/1282869544.db2.gz WYEFPWPXMDQNGP-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM C[C@H](CC#N)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001589788108 1283006986 /nfs/dbraw/zinc/00/69/86/1283006986.db2.gz SXWHHTUBEURIEQ-SNVBAGLBSA-N -1 1 356.390 0.930 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589799353 1283013702 /nfs/dbraw/zinc/01/37/02/1283013702.db2.gz KYVNVTSSFYCZSI-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589799353 1283013714 /nfs/dbraw/zinc/01/37/14/1283013714.db2.gz KYVNVTSSFYCZSI-ZJUUUORDSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986998 1283157552 /nfs/dbraw/zinc/15/75/52/1283157552.db2.gz AZMVHUGNHZMGPX-RISCZKNCSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001589986998 1283157558 /nfs/dbraw/zinc/15/75/58/1283157558.db2.gz AZMVHUGNHZMGPX-RISCZKNCSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC(c2ccccc2)=NO1 ZINC001590071138 1283202133 /nfs/dbraw/zinc/20/21/33/1283202133.db2.gz SUDUEWFERJAOOK-INIZCTEOSA-N -1 1 363.341 0.983 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590099783 1283211824 /nfs/dbraw/zinc/21/18/24/1283211824.db2.gz FKCSYIKVZQLNHJ-CYBMUJFWSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590099783 1283211834 /nfs/dbraw/zinc/21/18/34/1283211834.db2.gz FKCSYIKVZQLNHJ-CYBMUJFWSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(CNC(=O)C#CC2CC2)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590128795 1283233275 /nfs/dbraw/zinc/23/32/75/1283233275.db2.gz DDCBHSUKJDFVFH-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM CC1(CNC(=O)C#CC2CC2)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590128795 1283233279 /nfs/dbraw/zinc/23/32/79/1283233279.db2.gz DDCBHSUKJDFVFH-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590175000 1283279548 /nfs/dbraw/zinc/27/95/48/1283279548.db2.gz KXJAFOPWCBJHHN-RYUDHWBXSA-N -1 1 354.418 0.529 20 30 FCEDMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175195 1283280868 /nfs/dbraw/zinc/28/08/68/1283280868.db2.gz MPRPXPJFOHXHGV-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175195 1283280879 /nfs/dbraw/zinc/28/08/79/1283280879.db2.gz MPRPXPJFOHXHGV-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CSCC#N ZINC001590175434 1283281271 /nfs/dbraw/zinc/28/12/71/1283281271.db2.gz QITZNHDHRYXNSL-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CSCC#N ZINC001590175434 1283281277 /nfs/dbraw/zinc/28/12/77/1283281277.db2.gz QITZNHDHRYXNSL-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590199672 1283314431 /nfs/dbraw/zinc/31/44/31/1283314431.db2.gz VNULTMKLMLYVEY-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590199672 1283314444 /nfs/dbraw/zinc/31/44/44/1283314444.db2.gz VNULTMKLMLYVEY-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001590256016 1283378487 /nfs/dbraw/zinc/37/84/87/1283378487.db2.gz ZDNNJKFVJXNZLK-AAEUAGOBSA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590256511 1283380296 /nfs/dbraw/zinc/38/02/96/1283380296.db2.gz FXXVKMDLYVYYLX-GXTWGEPZSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590266865 1283393121 /nfs/dbraw/zinc/39/31/21/1283393121.db2.gz XGLHIBINPGOGGX-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590266865 1283393130 /nfs/dbraw/zinc/39/31/30/1283393130.db2.gz XGLHIBINPGOGGX-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590283818 1283411359 /nfs/dbraw/zinc/41/13/59/1283411359.db2.gz PKEBBKNIIJUEPH-AAEUAGOBSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590283818 1283411364 /nfs/dbraw/zinc/41/13/64/1283411364.db2.gz PKEBBKNIIJUEPH-AAEUAGOBSA-N -1 1 352.402 0.577 20 30 FCEDMM CCCCNC(=O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590602302 1283632106 /nfs/dbraw/zinc/63/21/06/1283632106.db2.gz IMHJJERJWKEUSW-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCCCNC(=O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590602302 1283632120 /nfs/dbraw/zinc/63/21/20/1283632120.db2.gz IMHJJERJWKEUSW-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC001604547019 1287655742 /nfs/dbraw/zinc/65/57/42/1287655742.db2.gz FTMTVSSSLMJWNN-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC001604547019 1287655743 /nfs/dbraw/zinc/65/57/43/1287655743.db2.gz FTMTVSSSLMJWNN-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCO[C@H](CNc1cncc(C#N)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590785547 1283839481 /nfs/dbraw/zinc/83/94/81/1283839481.db2.gz KWMOHPNSDHWLGN-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@H](CNc1cncc(C#N)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590785547 1283839490 /nfs/dbraw/zinc/83/94/90/1283839490.db2.gz KWMOHPNSDHWLGN-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590923512 1283974390 /nfs/dbraw/zinc/97/43/90/1283974390.db2.gz RHUTYJKICYFYDT-TXEJJXNPSA-N -1 1 352.402 0.692 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590923512 1283974395 /nfs/dbraw/zinc/97/43/95/1283974395.db2.gz RHUTYJKICYFYDT-TXEJJXNPSA-N -1 1 352.402 0.692 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)CSCC#N)c1nccnc1-c1nnn[n-]1 ZINC001591055927 1284114344 /nfs/dbraw/zinc/11/43/44/1284114344.db2.gz KXLXDIOSLMPNIR-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)CSCC#N)c1nccnc1-c1nn[n-]n1 ZINC001591055927 1284114348 /nfs/dbraw/zinc/11/43/48/1284114348.db2.gz KXLXDIOSLMPNIR-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC1(C#N)CCOCC1 ZINC001591089721 1284159542 /nfs/dbraw/zinc/15/95/42/1284159542.db2.gz CDKAWBLYPOTMJL-UHFFFAOYSA-N -1 1 373.421 0.273 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC1(C#N)CCOCC1 ZINC001591089721 1284159547 /nfs/dbraw/zinc/15/95/47/1284159547.db2.gz CDKAWBLYPOTMJL-UHFFFAOYSA-N -1 1 373.421 0.273 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591090616 1284161686 /nfs/dbraw/zinc/16/16/86/1284161686.db2.gz NFSOXKQLDCMHQP-UHFFFAOYSA-N -1 1 369.364 0.888 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591090616 1284161691 /nfs/dbraw/zinc/16/16/91/1284161691.db2.gz NFSOXKQLDCMHQP-UHFFFAOYSA-N -1 1 369.364 0.888 20 30 FCEDMM CN(CCNC(=O)C#CC1CC1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591095796 1284165633 /nfs/dbraw/zinc/16/56/33/1284165633.db2.gz KDIHYQSXSITZIX-UHFFFAOYSA-N -1 1 351.823 0.942 20 30 FCEDMM COC[C@H](C#N)OC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001591367609 1284505565 /nfs/dbraw/zinc/50/55/65/1284505565.db2.gz ASXYGDRYJXSTKX-NSHDSACASA-N -1 1 361.362 0.461 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@](C)(C#N)C2)cc1-c1nn[n-]n1 ZINC001591702888 1284841624 /nfs/dbraw/zinc/84/16/24/1284841624.db2.gz CAXSMVOLGODWNI-CQSZACIVSA-N -1 1 361.387 0.444 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(C#N)cn2)cc1-c1nn[n-]n1 ZINC001591705026 1284850709 /nfs/dbraw/zinc/85/07/09/1284850709.db2.gz WPSGLFXWSHRIDF-UHFFFAOYSA-N -1 1 368.382 0.886 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001591735781 1284865673 /nfs/dbraw/zinc/86/56/73/1284865673.db2.gz WRCZPUKLMRYQDB-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001591735781 1284865681 /nfs/dbraw/zinc/86/56/81/1284865681.db2.gz WRCZPUKLMRYQDB-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)C#CC(C)(C)C)n1 ZINC001591881593 1284970825 /nfs/dbraw/zinc/97/08/25/1284970825.db2.gz DYUBOXGGKIECMS-UHFFFAOYSA-N -1 1 356.434 0.909 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)C#CC(C)(C)C)n1 ZINC001591881593 1284970828 /nfs/dbraw/zinc/97/08/28/1284970828.db2.gz DYUBOXGGKIECMS-UHFFFAOYSA-N -1 1 356.434 0.909 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)n1 ZINC001591890198 1284981307 /nfs/dbraw/zinc/98/13/07/1284981307.db2.gz PDJNNDBTEVYUHV-DZGCQCFKSA-N -1 1 366.429 0.662 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)n1 ZINC001591890198 1284981315 /nfs/dbraw/zinc/98/13/15/1284981315.db2.gz PDJNNDBTEVYUHV-DZGCQCFKSA-N -1 1 366.429 0.662 20 30 FCEDMM Cc1cc(C)n(N=Cc2cn(C[C@H]3CCOC3)nn2)c(=O)c1-c1nn[n-]n1 ZINC001591956397 1285022156 /nfs/dbraw/zinc/02/21/56/1285022156.db2.gz BINGDRFILWAVML-GFCCVEGCSA-N -1 1 369.389 0.155 20 30 FCEDMM Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)s1 ZINC001592123367 1285151490 /nfs/dbraw/zinc/15/14/90/1285151490.db2.gz JMCJWIJEAJYQCU-UHFFFAOYSA-N -1 1 357.359 0.200 20 30 FCEDMM Cc1ccccc1CCNC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001592257676 1285201893 /nfs/dbraw/zinc/20/18/93/1285201893.db2.gz IDFWQRGDQVAOMQ-UHFFFAOYSA-N -1 1 351.374 0.184 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001592335531 1285243418 /nfs/dbraw/zinc/24/34/18/1285243418.db2.gz SMJFDPRPOSXTDZ-LLVKDONJSA-N -1 1 374.405 0.879 20 30 FCEDMM Cc1nc(C2CC2)[nH]c(=S)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592358732 1285273949 /nfs/dbraw/zinc/27/39/49/1285273949.db2.gz RSDTUYQISPHWGK-UHFFFAOYSA-N -1 1 368.386 0.978 20 30 FCEDMM Cc1nsc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1C#N ZINC001592476464 1285416862 /nfs/dbraw/zinc/41/68/62/1285416862.db2.gz MJHIMDPPAGAHST-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1C#N ZINC001592476464 1285416866 /nfs/dbraw/zinc/41/68/66/1285416866.db2.gz MJHIMDPPAGAHST-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM N#CC1(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001592669220 1285564928 /nfs/dbraw/zinc/56/49/28/1285564928.db2.gz MJVPRQAZWWJOPB-UHFFFAOYSA-N -1 1 352.402 0.994 20 30 FCEDMM N#CC1(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001592669220 1285564937 /nfs/dbraw/zinc/56/49/37/1285564937.db2.gz MJVPRQAZWWJOPB-UHFFFAOYSA-N -1 1 352.402 0.994 20 30 FCEDMM N#CC1(NC(=O)Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)CCC1 ZINC001592670666 1285567954 /nfs/dbraw/zinc/56/79/54/1285567954.db2.gz KFHZQUBNWPKNTN-UHFFFAOYSA-N -1 1 367.291 0.610 20 30 FCEDMM N#CCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001592678332 1285571551 /nfs/dbraw/zinc/57/15/51/1285571551.db2.gz SDXVOYFVDYBERQ-UHFFFAOYSA-N -1 1 365.394 0.226 20 30 FCEDMM N#CCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001592678332 1285571559 /nfs/dbraw/zinc/57/15/59/1285571559.db2.gz SDXVOYFVDYBERQ-UHFFFAOYSA-N -1 1 365.394 0.226 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592679193 1285574234 /nfs/dbraw/zinc/57/42/34/1285574234.db2.gz IOVKRIMXWHYKEX-AOOOYVTPSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592679193 1285574240 /nfs/dbraw/zinc/57/42/40/1285574240.db2.gz IOVKRIMXWHYKEX-AOOOYVTPSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001592679574 1285576722 /nfs/dbraw/zinc/57/67/22/1285576722.db2.gz VBUZWVZYOTUFDB-UHFFFAOYSA-N -1 1 373.446 0.176 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc3c(c2)SCC(=O)N3)nc1-c1nn[nH]n1 ZINC001592682099 1285580647 /nfs/dbraw/zinc/58/06/47/1285580647.db2.gz PGPFCJMRSZSHEK-UHFFFAOYSA-N -1 1 367.354 0.758 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001592685651 1285582816 /nfs/dbraw/zinc/58/28/16/1285582816.db2.gz BDKRGVRQOOWXTM-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001592685651 1285582823 /nfs/dbraw/zinc/58/28/23/1285582823.db2.gz BDKRGVRQOOWXTM-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001592686834 1285584334 /nfs/dbraw/zinc/58/43/34/1285584334.db2.gz VGNWTDCGDMLACI-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001592686834 1285584341 /nfs/dbraw/zinc/58/43/41/1285584341.db2.gz VGNWTDCGDMLACI-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ncc(NCCn2cc(-c3ccccc3)nn2)nc1-c1nn[n-]n1 ZINC001592710674 1285596954 /nfs/dbraw/zinc/59/69/54/1285596954.db2.gz UHPVFGOEUWTMMJ-UHFFFAOYSA-N -1 1 359.357 0.899 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001592767845 1285690847 /nfs/dbraw/zinc/69/08/47/1285690847.db2.gz NYLXFBZLSRCDND-XBFCOCLRSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001592767845 1285690852 /nfs/dbraw/zinc/69/08/52/1285690852.db2.gz NYLXFBZLSRCDND-XBFCOCLRSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001592768692 1285691825 /nfs/dbraw/zinc/69/18/25/1285691825.db2.gz OTQVDFOQDMUQHL-UHFFFAOYSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001592768692 1285691832 /nfs/dbraw/zinc/69/18/32/1285691832.db2.gz OTQVDFOQDMUQHL-UHFFFAOYSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592768652 1285692199 /nfs/dbraw/zinc/69/21/99/1285692199.db2.gz NVFKEZMANZRXAV-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM O=C(C#CC1CC1)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592768652 1285692208 /nfs/dbraw/zinc/69/22/08/1285692208.db2.gz NVFKEZMANZRXAV-UHFFFAOYSA-N -1 1 366.429 0.793 20 30 FCEDMM O=C(CC#Cc1ccccc1)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592802506 1285722508 /nfs/dbraw/zinc/72/25/08/1285722508.db2.gz CAPVTLXAPYEDKL-UHFFFAOYSA-N -1 1 362.397 0.439 20 30 FCEDMM O=C(CC#Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592803617 1285724937 /nfs/dbraw/zinc/72/49/37/1285724937.db2.gz NTGPJKOSCNPLDW-HNNXBMFYSA-N -1 1 374.408 0.533 20 30 FCEDMM O=C1c2ccccc2C(=O)N1CC#CCn1ccc(-c2nn[n-]n2)cc1=O ZINC001593413350 1286135851 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C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001602791810 1287116806 /nfs/dbraw/zinc/11/68/06/1287116806.db2.gz BPIFCPGHUZSCLE-PXAZEXFGSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001602791810 1287116814 /nfs/dbraw/zinc/11/68/14/1287116814.db2.gz BPIFCPGHUZSCLE-PXAZEXFGSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602793384 1287118500 /nfs/dbraw/zinc/11/85/00/1287118500.db2.gz AIPWDHMPEPRJQD-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602793384 1287118506 /nfs/dbraw/zinc/11/85/06/1287118506.db2.gz AIPWDHMPEPRJQD-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001602815933 1287122454 /nfs/dbraw/zinc/12/24/54/1287122454.db2.gz FKVLOLOWILIOIM-MRVPVSSYSA-N -1 1 350.404 0.604 20 30 FCEDMM C=CCC1(O)CCN(c2nnc(-c3ccnc(-c4nnn[n-]4)c3)n2C)CC1 ZINC001602818300 1287123850 /nfs/dbraw/zinc/12/38/50/1287123850.db2.gz LGYPMVUZPYVNOK-UHFFFAOYSA-N -1 1 367.417 0.965 20 30 FCEDMM C=CCC1(O)CCN(c2nnc(-c3ccnc(-c4nn[n-]n4)c3)n2C)CC1 ZINC001602818300 1287123856 /nfs/dbraw/zinc/12/38/56/1287123856.db2.gz LGYPMVUZPYVNOK-UHFFFAOYSA-N -1 1 367.417 0.965 20 30 FCEDMM C=CCC1(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001602817316 1287124844 /nfs/dbraw/zinc/12/48/44/1287124844.db2.gz FBMCWEYCJHUTDI-UHFFFAOYSA-N -1 1 358.406 0.558 20 30 FCEDMM C=CCC1(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001602817316 1287124851 /nfs/dbraw/zinc/12/48/51/1287124851.db2.gz FBMCWEYCJHUTDI-UHFFFAOYSA-N -1 1 358.406 0.558 20 30 FCEDMM C=CCCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001602824553 1287126240 /nfs/dbraw/zinc/12/62/40/1287126240.db2.gz NYBFSBDUOJUSQU-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001602824553 1287126245 /nfs/dbraw/zinc/12/62/45/1287126245.db2.gz NYBFSBDUOJUSQU-UHFFFAOYSA-N -1 1 358.406 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ZINC001602841379 1287130458 /nfs/dbraw/zinc/13/04/58/1287130458.db2.gz WBOQLYSOVHLMGQ-NWDGAFQWSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602843900 1287131964 /nfs/dbraw/zinc/13/19/64/1287131964.db2.gz BOHMAYCQSWAJGN-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602844033 1287132425 /nfs/dbraw/zinc/13/24/25/1287132425.db2.gz GKBFWAVFPLENMW-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602844033 1287132430 /nfs/dbraw/zinc/13/24/30/1287132430.db2.gz GKBFWAVFPLENMW-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602844084 1287132466 /nfs/dbraw/zinc/13/24/66/1287132466.db2.gz ICBZYXUFWNUWQU-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602844084 1287132473 /nfs/dbraw/zinc/13/24/73/1287132473.db2.gz ICBZYXUFWNUWQU-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCn1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001602846126 1287134051 /nfs/dbraw/zinc/13/40/51/1287134051.db2.gz AZGSIJFZEITXHU-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCCn1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001602846126 1287134056 /nfs/dbraw/zinc/13/40/56/1287134056.db2.gz AZGSIJFZEITXHU-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602844639 1287134267 /nfs/dbraw/zinc/13/42/67/1287134267.db2.gz RDSUGKYSZHYXAQ-KRWDZBQOSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602844639 1287134273 /nfs/dbraw/zinc/13/42/73/1287134273.db2.gz RDSUGKYSZHYXAQ-KRWDZBQOSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001602844895 1287134340 /nfs/dbraw/zinc/13/43/40/1287134340.db2.gz UGHVMHCUGBVXSV-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001602844895 1287134345 /nfs/dbraw/zinc/13/43/45/1287134345.db2.gz UGHVMHCUGBVXSV-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602844236 1287134529 /nfs/dbraw/zinc/13/45/29/1287134529.db2.gz MJYDAFVHPMUVKY-UHFFFAOYSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602844236 1287134532 /nfs/dbraw/zinc/13/45/32/1287134532.db2.gz MJYDAFVHPMUVKY-UHFFFAOYSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001602844862 1287134689 /nfs/dbraw/zinc/13/46/89/1287134689.db2.gz SLFOALZPMGIYKG-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001602844862 1287134694 /nfs/dbraw/zinc/13/46/94/1287134694.db2.gz SLFOALZPMGIYKG-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCN(CC=C)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1CC(C)C ZINC001602850855 1287136043 /nfs/dbraw/zinc/13/60/43/1287136043.db2.gz WYGZQVONIHWLFD-UHFFFAOYSA-N -1 1 369.437 0.932 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCCO[C@H](C)C1 ZINC001602878810 1287145637 /nfs/dbraw/zinc/14/56/37/1287145637.db2.gz HQGAHGSDZIFQAJ-SNVBAGLBSA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001602872195 1287145957 /nfs/dbraw/zinc/14/59/57/1287145957.db2.gz XCKRUXMCSQCHFI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001602872195 1287145962 /nfs/dbraw/zinc/14/59/62/1287145962.db2.gz XCKRUXMCSQCHFI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCn1c(Cc2ccc(-c3nnn[n-]3)nc2)nnc1N1CC[C@@H](OC)C1 ZINC001602880444 1287147974 /nfs/dbraw/zinc/14/79/74/1287147974.db2.gz XFOQFOFKDACWDU-CYBMUJFWSA-N -1 1 367.417 0.855 20 30 FCEDMM C=CCn1c(Cc2ccc(-c3nn[n-]n3)nc2)nnc1N1CC[C@@H](OC)C1 ZINC001602880444 1287147983 /nfs/dbraw/zinc/14/79/83/1287147983.db2.gz XFOQFOFKDACWDU-CYBMUJFWSA-N -1 1 367.417 0.855 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001602892617 1287149190 /nfs/dbraw/zinc/14/91/90/1287149190.db2.gz WWEARGYKSKTFML-QWHCGFSZSA-N -1 1 354.418 0.674 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602893975 1287151164 /nfs/dbraw/zinc/15/11/64/1287151164.db2.gz MQSNXUCPSSWJGR-JOCQHMNTSA-N -1 1 354.418 0.579 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001602981478 1287172555 /nfs/dbraw/zinc/17/25/55/1287172555.db2.gz FOLOXCSPWNNJHI-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001602981478 1287172561 /nfs/dbraw/zinc/17/25/61/1287172561.db2.gz FOLOXCSPWNNJHI-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602982199 1287173141 /nfs/dbraw/zinc/17/31/41/1287173141.db2.gz QJGYCBVCYHNUPJ-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602982199 1287173144 /nfs/dbraw/zinc/17/31/44/1287173144.db2.gz QJGYCBVCYHNUPJ-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001603032335 1287193347 /nfs/dbraw/zinc/19/33/47/1287193347.db2.gz PUWRQIOXKKOTOX-WCQYABFASA-N -1 1 352.358 0.945 20 30 FCEDMM COC(=O)[C@H](CNc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001604905043 1287813570 /nfs/dbraw/zinc/81/35/70/1287813570.db2.gz SUJAJTMGCVLFHU-LLVKDONJSA-N -1 1 350.342 0.897 20 30 FCEDMM COC(=O)[C@H](CNc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001604905043 1287813574 /nfs/dbraw/zinc/81/35/74/1287813574.db2.gz SUJAJTMGCVLFHU-LLVKDONJSA-N -1 1 350.342 0.897 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)cc2OC)c1 ZINC001604964261 1287823518 /nfs/dbraw/zinc/82/35/18/1287823518.db2.gz LJIGTEDOOSPXHX-UHFFFAOYSA-N -1 1 366.337 0.744 20 30 FCEDMM COCCN(CC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001605095039 1287877716 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/nfs/dbraw/zinc/40/74/03/868407403.db2.gz XNHLMXKUDIXBIY-DZGCQCFKSA-N -1 1 369.443 0.407 20 30 FCEDMM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1 ZINC001321259012 868415113 /nfs/dbraw/zinc/41/51/13/868415113.db2.gz MNLUEVMROOSBJD-TZMCWYRMSA-N -1 1 355.416 0.159 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001321601680 868536380 /nfs/dbraw/zinc/53/63/80/868536380.db2.gz QLEAOAVRPLXZQB-LBPRGKRZSA-N -1 1 361.423 0.900 20 30 FCEDMM N#Cc1cncc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccncc3)n2)c1 ZINC001326126310 870175494 /nfs/dbraw/zinc/17/54/94/870175494.db2.gz OWKDZCHAYHUFLH-UHFFFAOYSA-N -1 1 354.351 0.653 20 30 FCEDMM COc1cc(C=Nn2c(=O)cn[n-]c2=S)cc(Cl)c1OCC(N)=O ZINC001343772803 870602899 /nfs/dbraw/zinc/60/28/99/870602899.db2.gz XBAOLSWXPINOOT-UHFFFAOYSA-N -1 1 369.790 0.335 20 30 FCEDMM O=S1(=O)[N-]/C(=N/CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC001345068086 871174929 /nfs/dbraw/zinc/17/49/29/871174929.db2.gz SPFQFIODGPKQKM-UHFFFAOYSA-N -1 1 365.455 0.607 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573282837 946700333 /nfs/dbraw/zinc/70/03/33/946700333.db2.gz BIMDNBZWVIHLSV-CQSZACIVSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573283901 946730445 /nfs/dbraw/zinc/73/04/45/946730445.db2.gz NOOKSHNWMMRUKT-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573286281 946800137 /nfs/dbraw/zinc/80/01/37/946800137.db2.gz YCXPJCFISUMGCE-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCOCCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573286567 946810852 /nfs/dbraw/zinc/81/08/52/946810852.db2.gz FENGQIRVYRKQGD-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM C#CCOCCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573286567 946810857 /nfs/dbraw/zinc/81/08/57/946810857.db2.gz FENGQIRVYRKQGD-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573286790 946817325 /nfs/dbraw/zinc/81/73/25/946817325.db2.gz ISZJJYJCBSVHLV-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573286790 946817341 /nfs/dbraw/zinc/81/73/41/946817341.db2.gz ISZJJYJCBSVHLV-DGCLKSJQSA-N -1 1 370.417 0.026 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001573286893 946821048 /nfs/dbraw/zinc/82/10/48/946821048.db2.gz CARLDTXPNWEFJC-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001573286893 946821060 /nfs/dbraw/zinc/82/10/60/946821060.db2.gz CARLDTXPNWEFJC-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573287406 946835043 /nfs/dbraw/zinc/83/50/43/946835043.db2.gz NGQNETZTALYHMZ-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573287406 946835051 /nfs/dbraw/zinc/83/50/51/946835051.db2.gz NGQNETZTALYHMZ-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001573289665 946890201 /nfs/dbraw/zinc/89/02/01/946890201.db2.gz OZXWGLZNXBMZPF-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001573289665 946890217 /nfs/dbraw/zinc/89/02/17/946890217.db2.gz OZXWGLZNXBMZPF-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001573289863 946894327 /nfs/dbraw/zinc/89/43/27/946894327.db2.gz FAVAMKWUKPPDOK-MLGOLLRUSA-N -1 1 374.408 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001573289863 946894337 /nfs/dbraw/zinc/89/43/37/946894337.db2.gz FAVAMKWUKPPDOK-MLGOLLRUSA-N -1 1 374.408 0.893 20 30 FCEDMM C#Cc1ccccc1CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001573290764 946910387 /nfs/dbraw/zinc/91/03/87/946910387.db2.gz OXJFAPORXQASOR-UHFFFAOYSA-N -1 1 362.397 0.751 20 30 FCEDMM C#Cc1ccccc1CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001573290764 946910396 /nfs/dbraw/zinc/91/03/96/946910396.db2.gz OXJFAPORXQASOR-UHFFFAOYSA-N -1 1 362.397 0.751 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)OCC ZINC001573292974 946944970 /nfs/dbraw/zinc/94/49/70/946944970.db2.gz IBJWDXZAJSHXBT-QWHCGFSZSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)OCC ZINC001573292974 946944974 /nfs/dbraw/zinc/94/49/74/946944974.db2.gz IBJWDXZAJSHXBT-QWHCGFSZSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573294519 946990255 /nfs/dbraw/zinc/99/02/55/946990255.db2.gz GSNXWWKIVVZAAY-OBJOEFQTSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573294519 946990261 /nfs/dbraw/zinc/99/02/61/946990261.db2.gz GSNXWWKIVVZAAY-OBJOEFQTSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573294731 946996426 /nfs/dbraw/zinc/99/64/26/946996426.db2.gz KAWUNXGVXBLOAA-XUJVJEKNSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573294731 946996433 /nfs/dbraw/zinc/99/64/33/946996433.db2.gz KAWUNXGVXBLOAA-XUJVJEKNSA-N -1 1 372.433 0.579 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573566533 947027504 /nfs/dbraw/zinc/02/75/04/947027504.db2.gz CYYSACHJSBROLX-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573566706 947029047 /nfs/dbraw/zinc/02/90/47/947029047.db2.gz FVXBOYDCAUACRK-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573566706 947029059 /nfs/dbraw/zinc/02/90/59/947029059.db2.gz FVXBOYDCAUACRK-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573566707 947030553 /nfs/dbraw/zinc/03/05/53/947030553.db2.gz FVXBOYDCAUACRK-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573566707 947030570 /nfs/dbraw/zinc/03/05/70/947030570.db2.gz FVXBOYDCAUACRK-VXGBXAGGSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573567521 947047446 /nfs/dbraw/zinc/04/74/46/947047446.db2.gz NYMDSSYYAXBOGB-IJLUTSLNSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568077 947065444 /nfs/dbraw/zinc/06/54/44/947065444.db2.gz XGRLFADREFUQHV-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568077 947065454 /nfs/dbraw/zinc/06/54/54/947065454.db2.gz XGRLFADREFUQHV-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568055 947065823 /nfs/dbraw/zinc/06/58/23/947065823.db2.gz WVUSOSJEFTUXRL-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568055 947065834 /nfs/dbraw/zinc/06/58/34/947065834.db2.gz WVUSOSJEFTUXRL-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573570026 947080384 /nfs/dbraw/zinc/08/03/84/947080384.db2.gz IOSPXCKULPCHMI-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573570026 947080392 /nfs/dbraw/zinc/08/03/92/947080392.db2.gz IOSPXCKULPCHMI-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573574645 947130106 /nfs/dbraw/zinc/13/01/06/947130106.db2.gz SIHPFNNPSUCRAB-XAGWURHQSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573574645 947130111 /nfs/dbraw/zinc/13/01/11/947130111.db2.gz SIHPFNNPSUCRAB-XAGWURHQSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573574751 947132838 /nfs/dbraw/zinc/13/28/38/947132838.db2.gz UHRGXBAITFTKLC-CMPLNLGQSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573574751 947132844 /nfs/dbraw/zinc/13/28/44/947132844.db2.gz UHRGXBAITFTKLC-CMPLNLGQSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573576577 947154241 /nfs/dbraw/zinc/15/42/41/947154241.db2.gz HQFAYAKLXPKJKK-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573576577 947154244 /nfs/dbraw/zinc/15/42/44/947154244.db2.gz HQFAYAKLXPKJKK-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573576729 947156482 /nfs/dbraw/zinc/15/64/82/947156482.db2.gz JEAOTMSNGTVCLB-GHMZBOCLSA-N -1 1 373.442 0.547 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573577107 947161589 /nfs/dbraw/zinc/16/15/89/947161589.db2.gz MEKVJXHRCWKODB-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573577107 947161596 /nfs/dbraw/zinc/16/15/96/947161596.db2.gz MEKVJXHRCWKODB-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573577240 947163797 /nfs/dbraw/zinc/16/37/97/947163797.db2.gz OAASKDCZBXSABY-MEDUHNTESA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573577240 947163803 /nfs/dbraw/zinc/16/38/03/947163803.db2.gz OAASKDCZBXSABY-MEDUHNTESA-N -1 1 355.406 0.539 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573306448 947172257 /nfs/dbraw/zinc/17/22/57/947172257.db2.gz KQPZRIFGUUYLJF-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573306448 947172266 /nfs/dbraw/zinc/17/22/66/947172266.db2.gz KQPZRIFGUUYLJF-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001573577812 947173322 /nfs/dbraw/zinc/17/33/22/947173322.db2.gz SXCFNAHKEVAPKK-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001573577812 947173333 /nfs/dbraw/zinc/17/33/33/947173333.db2.gz SXCFNAHKEVAPKK-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573309321 947196739 /nfs/dbraw/zinc/19/67/39/947196739.db2.gz GUJLOQOSRZRQBK-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573309321 947196742 /nfs/dbraw/zinc/19/67/42/947196742.db2.gz GUJLOQOSRZRQBK-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309526 947203953 /nfs/dbraw/zinc/20/39/53/947203953.db2.gz KAXGJURWLSEILT-MMPTUQATSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 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C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574811359 1271552336 /nfs/dbraw/zinc/55/23/36/1271552336.db2.gz OLRLVCTZECPNQO-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@H](C)NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580661671 1278663452 /nfs/dbraw/zinc/66/34/52/1278663452.db2.gz DGACZLYXRFSPIX-PWSUYJOCSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@H](C)NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580661671 1278663458 /nfs/dbraw/zinc/66/34/58/1278663458.db2.gz DGACZLYXRFSPIX-PWSUYJOCSA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575313360 1271909219 /nfs/dbraw/zinc/90/92/19/1271909219.db2.gz FUGWJVZFFROKSP-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575313360 1271909227 /nfs/dbraw/zinc/90/92/27/1271909227.db2.gz FUGWJVZFFROKSP-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575329865 1271941465 /nfs/dbraw/zinc/94/14/65/1271941465.db2.gz FSEXYNZNBREHCH-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575329865 1271941476 /nfs/dbraw/zinc/94/14/76/1271941476.db2.gz FSEXYNZNBREHCH-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@](O)(CCc1ccccc1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001575470607 1272141702 /nfs/dbraw/zinc/14/17/02/1272141702.db2.gz VXRQDYNERKAVFS-INIZCTEOSA-N -1 1 352.358 0.784 20 30 FCEDMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C#CC2CC2)C1 ZINC001575797883 1272448001 /nfs/dbraw/zinc/44/80/01/1272448001.db2.gz ZSXHHTVQHUKGNC-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C#CC2CC2)C1 ZINC001575797883 1272448002 /nfs/dbraw/zinc/44/80/02/1272448002.db2.gz ZSXHHTVQHUKGNC-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001575801814 1272452119 /nfs/dbraw/zinc/45/21/19/1272452119.db2.gz FCBSVDPGIPSBGU-GFCCVEGCSA-N -1 1 367.295 0.176 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580690189 1278721593 /nfs/dbraw/zinc/72/15/93/1278721593.db2.gz JDNAAXVUXPOMDJ-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580690189 1278721606 /nfs/dbraw/zinc/72/16/06/1278721606.db2.gz JDNAAXVUXPOMDJ-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM C[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCN1CC(F)(F)F ZINC001576365117 1273187145 /nfs/dbraw/zinc/18/71/45/1273187145.db2.gz OEAPHTICUZNZLA-QMMMGPOBSA-N -1 1 353.312 0.601 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576860975 1273822933 /nfs/dbraw/zinc/82/29/33/1273822933.db2.gz AWAWNICENHFHIB-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576860975 1273822944 /nfs/dbraw/zinc/82/29/44/1273822944.db2.gz AWAWNICENHFHIB-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576860976 1273823665 /nfs/dbraw/zinc/82/36/65/1273823665.db2.gz AWAWNICENHFHIB-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576860976 1273823675 /nfs/dbraw/zinc/82/36/75/1273823675.db2.gz AWAWNICENHFHIB-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580729121 1278822380 /nfs/dbraw/zinc/82/23/80/1278822380.db2.gz PBUDQIIMQMVMPK-JTQLQIEISA-N -1 1 355.406 0.823 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580729121 1278822390 /nfs/dbraw/zinc/82/23/90/1278822390.db2.gz PBUDQIIMQMVMPK-JTQLQIEISA-N -1 1 355.406 0.823 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577623924 1274604972 /nfs/dbraw/zinc/60/49/72/1274604972.db2.gz YMGJDZPUKLUABU-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577623924 1274604983 /nfs/dbraw/zinc/60/49/83/1274604983.db2.gz YMGJDZPUKLUABU-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001577642496 1274633577 /nfs/dbraw/zinc/63/35/77/1274633577.db2.gz OQGQCDOMWPQKEN-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001577642496 1274633591 /nfs/dbraw/zinc/63/35/91/1274633591.db2.gz OQGQCDOMWPQKEN-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CCCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nnn[n-]1 ZINC001577916834 1275121797 /nfs/dbraw/zinc/12/17/97/1275121797.db2.gz POIWFOWITCQNSS-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CCCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nn[n-]n1 ZINC001577916834 1275121801 /nfs/dbraw/zinc/12/18/01/1275121801.db2.gz POIWFOWITCQNSS-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCOC(=O)[C@@]1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCOC1 ZINC001578244144 1275546819 /nfs/dbraw/zinc/54/68/19/1275546819.db2.gz NTCLVZPTTKHVQS-OAHLLOKOSA-N -1 1 358.362 0.300 20 30 FCEDMM CCOC(=O)[C@@]1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCCOC1 ZINC001578244144 1275546825 /nfs/dbraw/zinc/54/68/25/1275546825.db2.gz NTCLVZPTTKHVQS-OAHLLOKOSA-N -1 1 358.362 0.300 20 30 FCEDMM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578254583 1275555130 /nfs/dbraw/zinc/55/51/30/1275555130.db2.gz XANBISPYAKVFEW-UHFFFAOYSA-N -1 1 370.329 0.999 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001578571729 1276002896 /nfs/dbraw/zinc/00/28/96/1276002896.db2.gz WRRIHSRJUKACTQ-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001578571729 1276002899 /nfs/dbraw/zinc/00/28/99/1276002899.db2.gz WRRIHSRJUKACTQ-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001578588738 1276022438 /nfs/dbraw/zinc/02/24/38/1276022438.db2.gz LLOJQYNMAZVRBM-CYBMUJFWSA-N -1 1 366.429 0.718 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001578588738 1276022445 /nfs/dbraw/zinc/02/24/45/1276022445.db2.gz LLOJQYNMAZVRBM-CYBMUJFWSA-N -1 1 366.429 0.718 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578631384 1276079389 /nfs/dbraw/zinc/07/93/89/1276079389.db2.gz WULZUJKIJYKMFV-BXKDBHETSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578631384 1276079393 /nfs/dbraw/zinc/07/93/93/1276079393.db2.gz WULZUJKIJYKMFV-BXKDBHETSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578631385 1276080608 /nfs/dbraw/zinc/08/06/08/1276080608.db2.gz WULZUJKIJYKMFV-CABZTGNLSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578631385 1276080610 /nfs/dbraw/zinc/08/06/10/1276080610.db2.gz WULZUJKIJYKMFV-CABZTGNLSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cc(C#N)nc(C2CC2)n1 ZINC001579130790 1276820115 /nfs/dbraw/zinc/82/01/15/1276820115.db2.gz POKJRCCMQHUAGJ-UHFFFAOYSA-N -1 1 365.405 0.780 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cc(C#N)nc(C2CC2)n1 ZINC001579130790 1276820130 /nfs/dbraw/zinc/82/01/30/1276820130.db2.gz POKJRCCMQHUAGJ-UHFFFAOYSA-N -1 1 365.405 0.780 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579275691 1277081933 /nfs/dbraw/zinc/08/19/33/1277081933.db2.gz FDSXBVVHZFOCRM-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579275691 1277082000 /nfs/dbraw/zinc/08/20/00/1277082000.db2.gz FDSXBVVHZFOCRM-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579295243 1277123386 /nfs/dbraw/zinc/12/33/86/1277123386.db2.gz SJRRKJFAHCMVSY-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579295243 1277123387 /nfs/dbraw/zinc/12/33/87/1277123387.db2.gz SJRRKJFAHCMVSY-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)CCN(C[C@H]1CCCO1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579447337 1277335362 /nfs/dbraw/zinc/33/53/62/1277335362.db2.gz JEQKPDKXJGDKKQ-SNVBAGLBSA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)c1cccc2c1CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001579487598 1277397553 /nfs/dbraw/zinc/39/75/53/1277397553.db2.gz MTHCXOVJMJUJFO-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COC(=O)c1cccc2c1CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001579487598 1277397565 /nfs/dbraw/zinc/39/75/65/1277397565.db2.gz MTHCXOVJMJUJFO-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COCCN(CCC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579793833 1277915510 /nfs/dbraw/zinc/91/55/10/1277915510.db2.gz ZRVJHKCQOFQMJN-UHFFFAOYSA-N -1 1 374.405 0.713 20 30 FCEDMM COc1cccc(C[C@@H](O)C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001580063606 1278002547 /nfs/dbraw/zinc/00/25/47/1278002547.db2.gz CVJNMNLBASTVFN-LLVKDONJSA-N -1 1 354.330 0.012 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)N2CCN(CCC#N)CC2)cc1-c1nn[n-]n1 ZINC001580231509 1278050685 /nfs/dbraw/zinc/05/06/85/1278050685.db2.gz WETHSEFHRLTFTG-UHFFFAOYSA-N -1 1 374.430 0.361 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603189538 1287327081 /nfs/dbraw/zinc/32/70/81/1287327081.db2.gz OHOPSZWHSKBULT-QWHCGFSZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603189538 1287327084 /nfs/dbraw/zinc/32/70/84/1287327084.db2.gz OHOPSZWHSKBULT-QWHCGFSZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCCCC1=O ZINC001603258523 1287341417 /nfs/dbraw/zinc/34/14/17/1287341417.db2.gz QCVLLBSKHMMEFY-LLVKDONJSA-N -1 1 371.405 0.827 20 30 FCEDMM Cc1cccc(C#N)c1S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581220007 1279513789 /nfs/dbraw/zinc/51/37/89/1279513789.db2.gz VXODTSYMVMPEBF-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1cccc(C#N)c1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581220007 1279513797 /nfs/dbraw/zinc/51/37/97/1279513797.db2.gz VXODTSYMVMPEBF-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001603459270 1287378590 /nfs/dbraw/zinc/37/85/90/1287378590.db2.gz TVOLVHCIUXHRQF-ZJUUUORDSA-N -1 1 361.435 0.031 20 30 FCEDMM Cn1c(=O)[nH]c(Sc2cccc(C#N)c2Cl)c(-c2nn[n-]n2)c1=O ZINC001581748839 1280451981 /nfs/dbraw/zinc/45/19/81/1280451981.db2.gz WWSKSQIXCFZARX-UHFFFAOYSA-N -1 1 361.774 0.930 20 30 FCEDMM Cn1ccnc1[C@H](O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001581798125 1280522229 /nfs/dbraw/zinc/52/22/29/1280522229.db2.gz ZRWDINHCJLUHBP-CQSZACIVSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1nccc1[C@H](O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001581837401 1280589964 /nfs/dbraw/zinc/58/99/64/1280589964.db2.gz GJJRTMOYJXDOTQ-OAHLLOKOSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1nccc1[C@H](O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001581837401 1280589968 /nfs/dbraw/zinc/58/99/68/1280589968.db2.gz GJJRTMOYJXDOTQ-OAHLLOKOSA-N -1 1 366.389 0.212 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001581863282 1280615151 /nfs/dbraw/zinc/61/51/51/1280615151.db2.gz GCNWGLDCRGGIRC-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001581863282 1280615156 /nfs/dbraw/zinc/61/51/56/1280615156.db2.gz GCNWGLDCRGGIRC-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864115 1280617284 /nfs/dbraw/zinc/61/72/84/1280617284.db2.gz GZEVWZMWHYMCID-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864115 1280617292 /nfs/dbraw/zinc/61/72/92/1280617292.db2.gz GZEVWZMWHYMCID-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581865201 1280618506 /nfs/dbraw/zinc/61/85/06/1280618506.db2.gz FOLYVSGEMIYANE-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581865201 1280618509 /nfs/dbraw/zinc/61/85/09/1280618509.db2.gz FOLYVSGEMIYANE-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c[nH]1 ZINC001581866383 1280619958 /nfs/dbraw/zinc/61/99/58/1280619958.db2.gz ZPZHHHYLORISCE-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c[nH]1 ZINC001581866143 1280621706 /nfs/dbraw/zinc/62/17/06/1280621706.db2.gz TXLVHQUHVMWXSN-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c[nH]1 ZINC001581866143 1280621713 /nfs/dbraw/zinc/62/17/13/1280621713.db2.gz TXLVHQUHVMWXSN-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c[nH]1 ZINC001581865382 1280621750 /nfs/dbraw/zinc/62/17/50/1280621750.db2.gz JAAMUMAWNNMRJD-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c[nH]1 ZINC001581865382 1280621760 /nfs/dbraw/zinc/62/17/60/1280621760.db2.gz JAAMUMAWNNMRJD-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581868290 1280624759 /nfs/dbraw/zinc/62/47/59/1280624759.db2.gz OUYUDQDYAPYTGR-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581868290 1280624763 /nfs/dbraw/zinc/62/47/63/1280624763.db2.gz OUYUDQDYAPYTGR-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867949 1280625104 /nfs/dbraw/zinc/62/51/04/1280625104.db2.gz CKEDESJLVJVTAX-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867949 1280625110 /nfs/dbraw/zinc/62/51/10/1280625110.db2.gz CKEDESJLVJVTAX-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)nc1 ZINC001581871573 1280626995 /nfs/dbraw/zinc/62/69/95/1280626995.db2.gz ZVWSZDOUSTTZPT-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)nc1 ZINC001581871573 1280626998 /nfs/dbraw/zinc/62/69/98/1280626998.db2.gz ZVWSZDOUSTTZPT-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)nc1 ZINC001581871547 1280627688 /nfs/dbraw/zinc/62/76/88/1280627688.db2.gz ZIACTIDDPHNODQ-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1cccc([C@@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)c1 ZINC001581875135 1280630123 /nfs/dbraw/zinc/63/01/23/1280630123.db2.gz WZNGLRNZFLYFNA-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccnnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001581876711 1280632716 /nfs/dbraw/zinc/63/27/16/1280632716.db2.gz DGPTUGHLBCNXOG-UHFFFAOYSA-N -1 1 364.373 0.720 20 30 FCEDMM N#Cc1nc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cnc1-c1nnn[n-]1 ZINC001581878590 1280635505 /nfs/dbraw/zinc/63/55/05/1280635505.db2.gz SIAVDIKOERGXOK-SJKOYZFVSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cnc1-c1nn[n-]n1 ZINC001581878590 1280635510 /nfs/dbraw/zinc/63/55/10/1280635510.db2.gz SIAVDIKOERGXOK-SJKOYZFVSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1csc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001581878399 1280636040 /nfs/dbraw/zinc/63/60/40/1280636040.db2.gz KAYOVDTVNIIGEF-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM N#Cc1nc(N2CCC(c3nnc4n3CCC4)CC2)cnc1-c1nnn[n-]1 ZINC001581879706 1280638938 /nfs/dbraw/zinc/63/89/38/1280638938.db2.gz VGSGDIMCUFNBOU-UHFFFAOYSA-N -1 1 363.389 0.450 20 30 FCEDMM N#Cc1nc(N2CCC(c3nnc4n3CCC4)CC2)cnc1-c1nn[n-]n1 ZINC001581879706 1280638943 /nfs/dbraw/zinc/63/89/43/1280638943.db2.gz VGSGDIMCUFNBOU-UHFFFAOYSA-N -1 1 363.389 0.450 20 30 FCEDMM N#Cc1nc(NC[C@@]2(N3CCOCC3)CCSC2)cnc1-c1nnn[n-]1 ZINC001581880850 1280641995 /nfs/dbraw/zinc/64/19/95/1280641995.db2.gz XFFQWTDUDZBESD-HNNXBMFYSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1nc(NC[C@@]2(N3CCOCC3)CCSC2)cnc1-c1nn[n-]n1 ZINC001581880850 1280642003 /nfs/dbraw/zinc/64/20/03/1280642003.db2.gz XFFQWTDUDZBESD-HNNXBMFYSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1ncc(NC2CCN(CC(F)(F)F)CC2)nc1-c1nn[n-]n1 ZINC001581882922 1280643289 /nfs/dbraw/zinc/64/32/89/1280643289.db2.gz LTQZCKNMMGNDQJ-UHFFFAOYSA-N -1 1 353.312 0.967 20 30 FCEDMM N#Cc1ncc(N2CCC(C(=O)N3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882283 1280644223 /nfs/dbraw/zinc/64/42/23/1280644223.db2.gz SHPIIHQAHPNBLX-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1ncc(N2CCN(Cc3cncs3)CC2)nc1-c1nn[n-]n1 ZINC001581882422 1280645226 /nfs/dbraw/zinc/64/52/26/1280645226.db2.gz YDOZIOKHNDAWAS-UHFFFAOYSA-N -1 1 354.403 0.307 20 30 FCEDMM N#Cc1ncc(NC[C@@H](n2cncn2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581883435 1280647812 /nfs/dbraw/zinc/64/78/12/1280647812.db2.gz ZPZIDUWEYCAYNG-SSDOTTSWSA-N -1 1 351.256 0.335 20 30 FCEDMM N#Cc1ncc(NCc2cc(=O)[nH]c(C3CCC3)n2)nc1-c1nn[n-]n1 ZINC001581883925 1280650995 /nfs/dbraw/zinc/65/09/95/1280650995.db2.gz CDZIIZUJKPVDQN-UHFFFAOYSA-N -1 1 350.346 0.904 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581912541 1280714177 /nfs/dbraw/zinc/71/41/77/1280714177.db2.gz PKPYENOZGLCGKP-KBXCAEBGSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581912541 1280714183 /nfs/dbraw/zinc/71/41/83/1280714183.db2.gz PKPYENOZGLCGKP-KBXCAEBGSA-N -1 1 364.413 0.688 20 30 FCEDMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1c[nH]nc1C#N ZINC001588214775 1282408973 /nfs/dbraw/zinc/40/89/73/1282408973.db2.gz IIMIDQHGKOXRKP-UHFFFAOYSA-N -1 1 357.374 0.493 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328491 1282422054 /nfs/dbraw/zinc/42/20/54/1282422054.db2.gz IFPQLTGUBIZAMT-OLZOCXBDSA-N -1 1 365.390 0.773 20 30 FCEDMM C#CC[C@@H](COC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001588333731 1282425078 /nfs/dbraw/zinc/42/50/78/1282425078.db2.gz CNRUXUALRUFJNH-LBPRGKRZSA-N -1 1 358.402 0.671 20 30 FCEDMM C#CC[C@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588334026 1282426889 /nfs/dbraw/zinc/42/68/89/1282426889.db2.gz LWQXENZHKBLLGM-ZDUSSCGKSA-N -1 1 351.374 0.522 20 30 FCEDMM C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC001588334109 1282427963 /nfs/dbraw/zinc/42/79/63/1282427963.db2.gz OIJZLASCDUHJSK-SECBINFHSA-N -1 1 369.790 0.363 20 30 FCEDMM C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC001588334109 1282427966 /nfs/dbraw/zinc/42/79/66/1282427966.db2.gz OIJZLASCDUHJSK-SECBINFHSA-N -1 1 369.790 0.363 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588338668 1282432329 /nfs/dbraw/zinc/43/23/29/1282432329.db2.gz GDNTWOCMVSCKLV-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338890 1282432712 /nfs/dbraw/zinc/43/27/12/1282432712.db2.gz QHKUWBOZRQUUKB-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338890 1282432718 /nfs/dbraw/zinc/43/27/18/1282432718.db2.gz QHKUWBOZRQUUKB-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588338987 1282432786 /nfs/dbraw/zinc/43/27/86/1282432786.db2.gz KESQQSMNKNQHMR-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588338987 1282432789 /nfs/dbraw/zinc/43/27/89/1282432789.db2.gz KESQQSMNKNQHMR-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588338572 1282432966 /nfs/dbraw/zinc/43/29/66/1282432966.db2.gz MMIBKOUTXNYHCU-LBPRGKRZSA-N -1 1 354.418 0.718 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588338572 1282432969 /nfs/dbraw/zinc/43/29/69/1282432969.db2.gz MMIBKOUTXNYHCU-LBPRGKRZSA-N -1 1 354.418 0.718 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588344305 1282439932 /nfs/dbraw/zinc/43/99/32/1282439932.db2.gz LMKZIMRBZAQAES-VIKVFOODSA-N -1 1 366.429 0.710 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588344305 1282439937 /nfs/dbraw/zinc/43/99/37/1282439937.db2.gz LMKZIMRBZAQAES-VIKVFOODSA-N -1 1 366.429 0.710 20 30 FCEDMM C#CCCCCC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588343167 1282441048 /nfs/dbraw/zinc/44/10/48/1282441048.db2.gz GUAWIJIVCPWITD-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCCCCC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588343167 1282441054 /nfs/dbraw/zinc/44/10/54/1282441054.db2.gz GUAWIJIVCPWITD-UHFFFAOYSA-N -1 1 354.418 0.889 20 30 FCEDMM C#CCN(C(=O)C(C)C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588347754 1282442345 /nfs/dbraw/zinc/44/23/45/1282442345.db2.gz WDUODOOTDRAEKD-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C#CCN(C(=O)C(C)C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588347754 1282442355 /nfs/dbraw/zinc/44/23/55/1282442355.db2.gz WDUODOOTDRAEKD-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C#CCN(CC#CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588349881 1282443531 /nfs/dbraw/zinc/44/35/31/1282443531.db2.gz PRLWZMMUKRWBSN-UHFFFAOYSA-N -1 1 368.401 0.242 20 30 FCEDMM C#CCN(CC#CC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588349881 1282443537 /nfs/dbraw/zinc/44/35/37/1282443537.db2.gz PRLWZMMUKRWBSN-UHFFFAOYSA-N -1 1 368.401 0.242 20 30 FCEDMM C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCCCO1 ZINC001588349979 1282443865 /nfs/dbraw/zinc/44/38/65/1282443865.db2.gz WUNARCGYTMZLJK-LLVKDONJSA-N -1 1 368.405 0.487 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588355783 1282454960 /nfs/dbraw/zinc/45/49/60/1282454960.db2.gz MNUBBCZNYOOYLI-VXGBXAGGSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588355783 1282454966 /nfs/dbraw/zinc/45/49/66/1282454966.db2.gz MNUBBCZNYOOYLI-VXGBXAGGSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588355534 1282455095 /nfs/dbraw/zinc/45/50/95/1282455095.db2.gz JIGLQTXVBKPMBD-QWRGUYRKSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588355690 1282455133 /nfs/dbraw/zinc/45/51/33/1282455133.db2.gz LJTYHMMGHGJGIR-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588355690 1282455138 /nfs/dbraw/zinc/45/51/38/1282455138.db2.gz LJTYHMMGHGJGIR-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588355665 1282455937 /nfs/dbraw/zinc/45/59/37/1282455937.db2.gz LDYZKPFQPTWJKG-NWDGAFQWSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588355665 1282455946 /nfs/dbraw/zinc/45/59/46/1282455946.db2.gz LDYZKPFQPTWJKG-NWDGAFQWSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588355956 1282456916 /nfs/dbraw/zinc/45/69/16/1282456916.db2.gz QCPXKDFBDFWATO-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588355956 1282456923 /nfs/dbraw/zinc/45/69/23/1282456923.db2.gz QCPXKDFBDFWATO-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588357000 1282462633 /nfs/dbraw/zinc/46/26/33/1282462633.db2.gz HZATUFGCIRUVQW-CHWSQXEVSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588357000 1282462640 /nfs/dbraw/zinc/46/26/40/1282462640.db2.gz HZATUFGCIRUVQW-CHWSQXEVSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588356968 1282462667 /nfs/dbraw/zinc/46/26/67/1282462667.db2.gz IIOVMFWWYOLTCH-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588356968 1282462670 /nfs/dbraw/zinc/46/26/70/1282462670.db2.gz IIOVMFWWYOLTCH-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357774 1282467186 /nfs/dbraw/zinc/46/71/86/1282467186.db2.gz MPVXOPHKLYGFBR-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357774 1282467188 /nfs/dbraw/zinc/46/71/88/1282467188.db2.gz MPVXOPHKLYGFBR-STQMWFEESA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358054 1282469241 /nfs/dbraw/zinc/46/92/41/1282469241.db2.gz OTQBKJVTBHVBMV-SJCJKPOMSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358054 1282469242 /nfs/dbraw/zinc/46/92/42/1282469242.db2.gz OTQBKJVTBHVBMV-SJCJKPOMSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588358715 1282471372 /nfs/dbraw/zinc/47/13/72/1282471372.db2.gz ZWXNKXOLIYIGMQ-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588358715 1282471378 /nfs/dbraw/zinc/47/13/78/1282471378.db2.gz ZWXNKXOLIYIGMQ-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588360040 1282476604 /nfs/dbraw/zinc/47/66/04/1282476604.db2.gz GNKLGXWDIPQNNZ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588360040 1282476611 /nfs/dbraw/zinc/47/66/11/1282476611.db2.gz GNKLGXWDIPQNNZ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588359867 1282476643 /nfs/dbraw/zinc/47/66/43/1282476643.db2.gz ZSQBFDTVYBLYEE-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588359867 1282476650 /nfs/dbraw/zinc/47/66/50/1282476650.db2.gz ZSQBFDTVYBLYEE-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588360828 1282480113 /nfs/dbraw/zinc/48/01/13/1282480113.db2.gz WLWPUWQZIBLTJL-UHFFFAOYSA-N -1 1 372.433 0.370 20 30 FCEDMM C#CCOCCC(=O)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588360828 1282480119 /nfs/dbraw/zinc/48/01/19/1282480119.db2.gz WLWPUWQZIBLTJL-UHFFFAOYSA-N -1 1 372.433 0.370 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588361099 1282480995 /nfs/dbraw/zinc/48/09/95/1282480995.db2.gz DPTCCOABZZGOEL-LBPRGKRZSA-N -1 1 358.406 0.312 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588361099 1282480997 /nfs/dbraw/zinc/48/09/97/1282480997.db2.gz DPTCCOABZZGOEL-LBPRGKRZSA-N -1 1 358.406 0.312 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362851 1282488902 /nfs/dbraw/zinc/48/89/02/1282488902.db2.gz XPKZRNBRLNZBMP-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362851 1282488910 /nfs/dbraw/zinc/48/89/10/1282488910.db2.gz XPKZRNBRLNZBMP-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588362931 1282489323 /nfs/dbraw/zinc/48/93/23/1282489323.db2.gz ZPMYPUSMYOHGBE-UHFFFAOYSA-N -1 1 355.807 0.790 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001588364639 1282491237 /nfs/dbraw/zinc/49/12/37/1282491237.db2.gz JNOYXFRPZLXOPU-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001588364639 1282491241 /nfs/dbraw/zinc/49/12/41/1282491241.db2.gz JNOYXFRPZLXOPU-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588371337 1282493387 /nfs/dbraw/zinc/49/33/87/1282493387.db2.gz DBMXEOVFRMXKJM-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1ccc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588371337 1282493392 /nfs/dbraw/zinc/49/33/92/1282493392.db2.gz DBMXEOVFRMXKJM-ONEGZZNKSA-N -1 1 361.369 0.431 20 30 FCEDMM C#Cc1cnc(N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)nc1 ZINC001588377082 1282495911 /nfs/dbraw/zinc/49/59/11/1282495911.db2.gz OTXPQNYZJZUOTR-UHFFFAOYSA-N -1 1 353.415 0.730 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001588380446 1282496444 /nfs/dbraw/zinc/49/64/44/1282496444.db2.gz FMYPPYQSNRJZGG-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001588380446 1282496450 /nfs/dbraw/zinc/49/64/50/1282496450.db2.gz FMYPPYQSNRJZGG-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381013 1282497532 /nfs/dbraw/zinc/49/75/32/1282497532.db2.gz REKSPZJLHAMWHV-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381013 1282497539 /nfs/dbraw/zinc/49/75/39/1282497539.db2.gz REKSPZJLHAMWHV-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001588381296 1282498123 /nfs/dbraw/zinc/49/81/23/1282498123.db2.gz XTDXOGFORNHEOO-ZDUSSCGKSA-N -1 1 361.369 0.042 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)OCC ZINC001588402905 1282499331 /nfs/dbraw/zinc/49/93/31/1282499331.db2.gz OZHNGHBTURLHQG-ZDUSSCGKSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)OCC ZINC001588402905 1282499336 /nfs/dbraw/zinc/49/93/36/1282499336.db2.gz OZHNGHBTURLHQG-ZDUSSCGKSA-N -1 1 360.422 0.898 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001588402890 1282501030 /nfs/dbraw/zinc/50/10/30/1282501030.db2.gz OCHGDHSCHFADJX-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001588402890 1282501043 /nfs/dbraw/zinc/50/10/43/1282501043.db2.gz OCHGDHSCHFADJX-YABSGUDNSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588410121 1282501629 /nfs/dbraw/zinc/50/16/29/1282501629.db2.gz MEGDYJMBSRRBTC-OLZOCXBDSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588412240 1282502246 /nfs/dbraw/zinc/50/22/46/1282502246.db2.gz UOUYBCFKLNBIBL-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588412240 1282502254 /nfs/dbraw/zinc/50/22/54/1282502254.db2.gz UOUYBCFKLNBIBL-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588419591 1282506453 /nfs/dbraw/zinc/50/64/53/1282506453.db2.gz PJZXBTVPRPALAB-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588443034 1282508887 /nfs/dbraw/zinc/50/88/87/1282508887.db2.gz MBHOHCNDWNWMIB-NMALROFRSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588443034 1282508898 /nfs/dbraw/zinc/50/88/98/1282508898.db2.gz MBHOHCNDWNWMIB-NMALROFRSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 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C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cnc(-c2nnn[n-]2)cn1 ZINC001588722890 1282672928 /nfs/dbraw/zinc/67/29/28/1282672928.db2.gz DHUMFEBZYDYPGD-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCC)c1cnc(-c2nn[n-]n2)cn1 ZINC001588722890 1282672938 /nfs/dbraw/zinc/67/29/38/1282672938.db2.gz DHUMFEBZYDYPGD-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588725620 1282674312 /nfs/dbraw/zinc/67/43/12/1282674312.db2.gz IHVXYOAOHUTWDT-ZANVPECISA-N -1 1 353.379 0.875 20 30 FCEDMM CC#CCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588737169 1282680056 /nfs/dbraw/zinc/68/00/56/1282680056.db2.gz JODDXHREYNZCSF-OKILXGFUSA-N -1 1 366.429 0.745 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588740292 1282682735 /nfs/dbraw/zinc/68/27/35/1282682735.db2.gz LAACZAKGWZMPLL-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588740292 1282682742 /nfs/dbraw/zinc/68/27/42/1282682742.db2.gz LAACZAKGWZMPLL-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588926626 1282726756 /nfs/dbraw/zinc/72/67/56/1282726756.db2.gz JOAGGXYYRGCAEM-NEPJUHHUSA-N -1 1 355.406 0.421 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001588926638 1282730678 /nfs/dbraw/zinc/73/06/78/1282730678.db2.gz KDFQVCLHCTUVOY-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001588926638 1282730689 /nfs/dbraw/zinc/73/06/89/1282730689.db2.gz KDFQVCLHCTUVOY-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588926629 1282731202 /nfs/dbraw/zinc/73/12/02/1282731202.db2.gz JOAGGXYYRGCAEM-VXGBXAGGSA-N -1 1 355.406 0.421 20 30 FCEDMM CC(C)(C(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC001589050178 1282785139 /nfs/dbraw/zinc/78/51/39/1282785139.db2.gz OCSZQFZACRWQDC-UHFFFAOYSA-N -1 1 351.374 0.424 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001589067719 1282791359 /nfs/dbraw/zinc/79/13/59/1282791359.db2.gz DRIFYHLUVGDSPO-GFCCVEGCSA-N -1 1 354.418 0.435 20 30 FCEDMM CC(C)(C)C#CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001589068062 1282792061 /nfs/dbraw/zinc/79/20/61/1282792061.db2.gz KOEBWTCCUBNJPQ-BETUJISGSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)(C)C#CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001589068062 1282792070 /nfs/dbraw/zinc/79/20/70/1282792070.db2.gz KOEBWTCCUBNJPQ-BETUJISGSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589067823 1282792090 /nfs/dbraw/zinc/79/20/90/1282792090.db2.gz HGBPRLBAFPBGQW-GFCCVEGCSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001589067823 1282792097 /nfs/dbraw/zinc/79/20/97/1282792097.db2.gz HGBPRLBAFPBGQW-GFCCVEGCSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589157516 1282812877 /nfs/dbraw/zinc/81/28/77/1282812877.db2.gz CJYDDSXUYYHLSE-KOLCDFICSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589157516 1282812884 /nfs/dbraw/zinc/81/28/84/1282812884.db2.gz CJYDDSXUYYHLSE-KOLCDFICSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589384202 1282856801 /nfs/dbraw/zinc/85/68/01/1282856801.db2.gz CGFZFUZJRMLUEX-HIFRSBDPSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589384202 1282856807 /nfs/dbraw/zinc/85/68/07/1282856807.db2.gz CGFZFUZJRMLUEX-HIFRSBDPSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589384232 1282857651 /nfs/dbraw/zinc/85/76/51/1282857651.db2.gz DEQMJGMBJJAHAN-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589384232 1282857663 /nfs/dbraw/zinc/85/76/63/1282857663.db2.gz DEQMJGMBJJAHAN-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589380165 1282857865 /nfs/dbraw/zinc/85/78/65/1282857865.db2.gz OCTUQTRFFHZEAI-OLZOCXBDSA-N -1 1 354.418 0.387 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001589384698 1282861219 /nfs/dbraw/zinc/86/12/19/1282861219.db2.gz NXZBHNYASWBSIO-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001589384698 1282861232 /nfs/dbraw/zinc/86/12/32/1282861232.db2.gz NXZBHNYASWBSIO-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM N#Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cnc1C(F)(F)F ZINC001642263589 1282995816 /nfs/dbraw/zinc/99/58/16/1282995816.db2.gz IQWUUJMAGPTWHP-SECBINFHSA-N -1 1 353.264 0.699 20 30 FCEDMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987286 1283157772 /nfs/dbraw/zinc/15/77/72/1283157772.db2.gz HNUUJQINIUBWFB-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987286 1283157775 /nfs/dbraw/zinc/15/77/75/1283157775.db2.gz HNUUJQINIUBWFB-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590008684 1283173563 /nfs/dbraw/zinc/17/35/63/1283173563.db2.gz NTFQMTWYVPJLSB-PIGZYNQJSA-N -1 1 371.401 0.790 20 30 FCEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590008684 1283173568 /nfs/dbraw/zinc/17/35/68/1283173568.db2.gz NTFQMTWYVPJLSB-PIGZYNQJSA-N -1 1 371.401 0.790 20 30 FCEDMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)CSCC#N)C1 ZINC001590135744 1283237442 /nfs/dbraw/zinc/23/74/42/1283237442.db2.gz MLHLVJCHYQYNNE-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)CSCC#N)C1 ZINC001590135744 1283237450 /nfs/dbraw/zinc/23/74/50/1283237450.db2.gz MLHLVJCHYQYNNE-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590169830 1283264478 /nfs/dbraw/zinc/26/44/78/1283264478.db2.gz DNQXVYRKKLGGGG-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590281897 1283409340 /nfs/dbraw/zinc/40/93/40/1283409340.db2.gz HFUCUXKPKWQUMJ-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590281897 1283409347 /nfs/dbraw/zinc/40/93/47/1283409347.db2.gz HFUCUXKPKWQUMJ-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590284269 1283411324 /nfs/dbraw/zinc/41/13/24/1283411324.db2.gz QZOLQUFWLRPBFZ-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590284269 1283411329 /nfs/dbraw/zinc/41/13/29/1283411329.db2.gz QZOLQUFWLRPBFZ-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM CC[C@H](CC#N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590419120 1283531450 /nfs/dbraw/zinc/53/14/50/1283531450.db2.gz CXBUIYAHMRCNRX-MRVPVSSYSA-N -1 1 351.348 0.745 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590666449 1283712408 /nfs/dbraw/zinc/71/24/08/1283712408.db2.gz QXWCFODQBREJOA-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590666449 1283712417 /nfs/dbraw/zinc/71/24/17/1283712417.db2.gz QXWCFODQBREJOA-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CCc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001604557591 1287662127 /nfs/dbraw/zinc/66/21/27/1287662127.db2.gz OUJFONKAGITQIM-QWRGUYRKSA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001604557591 1287662138 /nfs/dbraw/zinc/66/21/38/1287662138.db2.gz OUJFONKAGITQIM-QWRGUYRKSA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(c3cccc(C#N)n3)CC2)n1 ZINC001590907618 1283957342 /nfs/dbraw/zinc/95/73/42/1283957342.db2.gz DOJCQZAZMGYOIL-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(c3cccc(C#N)n3)CC2)n1 ZINC001590907618 1283957349 /nfs/dbraw/zinc/95/73/49/1283957349.db2.gz DOJCQZAZMGYOIL-UHFFFAOYSA-N -1 1 362.401 0.812 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)n1 ZINC001590908171 1283958386 /nfs/dbraw/zinc/95/83/86/1283958386.db2.gz ARFUWTRUFXCZGE-STQMWFEESA-N -1 1 364.413 0.422 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)n1 ZINC001590908171 1283958398 /nfs/dbraw/zinc/95/83/98/1283958398.db2.gz ARFUWTRUFXCZGE-STQMWFEESA-N -1 1 364.413 0.422 20 30 FCEDMM CN(C(=O)C#CC1CC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590972186 1284032488 /nfs/dbraw/zinc/03/24/88/1284032488.db2.gz ODOLXGUCULUYKS-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C(=O)C#CC1CC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590972186 1284032493 /nfs/dbraw/zinc/03/24/93/1284032493.db2.gz ODOLXGUCULUYKS-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)CSCC#N)CC1 ZINC001591159995 1284234680 /nfs/dbraw/zinc/23/46/80/1284234680.db2.gz IHDAYKUZBFHGET-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)CSCC#N)CC1 ZINC001591159995 1284234689 /nfs/dbraw/zinc/23/46/89/1284234689.db2.gz IHDAYKUZBFHGET-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591160020 1284235283 /nfs/dbraw/zinc/23/52/83/1284235283.db2.gz JKTMQSMDWVXTCJ-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001591160020 1284235292 /nfs/dbraw/zinc/23/52/92/1284235292.db2.gz JKTMQSMDWVXTCJ-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM COC(=O)Cn1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)nn1 ZINC001591270949 1284423822 /nfs/dbraw/zinc/42/38/22/1284423822.db2.gz SMPQINXXDAASBJ-UHFFFAOYSA-N -1 1 360.338 0.189 20 30 FCEDMM COC(=O)c1sccc1NC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001591309670 1284460315 /nfs/dbraw/zinc/46/03/15/1284460315.db2.gz YAEWPHGEUSHOMC-UHFFFAOYSA-N -1 1 372.370 0.730 20 30 FCEDMM COc1ccc([C@@H](CO)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001591577973 1284747841 /nfs/dbraw/zinc/74/78/41/1284747841.db2.gz DUQQKRPRBMQUKS-LLVKDONJSA-N -1 1 352.358 0.725 20 30 FCEDMM C[NH+](C)CCc1ccc(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)cc1 ZINC001604690428 1287735573 /nfs/dbraw/zinc/73/55/73/1287735573.db2.gz WKRGSBLVQUWEQM-UHFFFAOYSA-N -1 1 351.374 0.818 20 30 FCEDMM COc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1C#N ZINC001591601139 1284766068 /nfs/dbraw/zinc/76/60/68/1284766068.db2.gz RYHGIJHYUDWZSG-UHFFFAOYSA-N -1 1 354.330 0.158 20 30 FCEDMM COc1ccc(NC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)c(OC)c1 ZINC001591609651 1284771821 /nfs/dbraw/zinc/77/18/21/1284771821.db2.gz TZFZLJFLIMHTIS-UHFFFAOYSA-N -1 1 369.345 0.173 20 30 FCEDMM COc1ccccc1CNC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001591650451 1284780866 /nfs/dbraw/zinc/78/08/66/1284780866.db2.gz QNSMAXSZPXQPFW-UHFFFAOYSA-N -1 1 352.358 0.568 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001591734728 1284861985 /nfs/dbraw/zinc/86/19/85/1284861985.db2.gz BHJDURVBSZGSFH-CHWSQXEVSA-N -1 1 368.445 0.635 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882359 1284970375 /nfs/dbraw/zinc/97/03/75/1284970375.db2.gz GDSKFWWYCFYCSY-ZDUSSCGKSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882359 1284970382 /nfs/dbraw/zinc/97/03/82/1284970382.db2.gz GDSKFWWYCFYCSY-ZDUSSCGKSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)n1 ZINC001591891542 1284981284 /nfs/dbraw/zinc/98/12/84/1284981284.db2.gz KERVXFJPLOKBHE-IPYPFGDCSA-N -1 1 366.429 0.850 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)n1 ZINC001591891542 1284981290 /nfs/dbraw/zinc/98/12/90/1284981290.db2.gz KERVXFJPLOKBHE-IPYPFGDCSA-N -1 1 366.429 0.850 20 30 FCEDMM Cc1cc(=O)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cn1C1CC1 ZINC001591903165 1284997062 /nfs/dbraw/zinc/99/70/62/1284997062.db2.gz MAXZBHATKBUOIF-UHFFFAOYSA-N -1 1 351.330 0.519 20 30 FCEDMM Cc1cc(C#N)nc(NCCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001591906808 1284998220 /nfs/dbraw/zinc/99/82/20/1284998220.db2.gz IRFGROGUSJLMSX-UHFFFAOYSA-N -1 1 351.378 0.484 20 30 FCEDMM Cc1cc(C#N)nc(NCCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001591906808 1284998226 /nfs/dbraw/zinc/99/82/26/1284998226.db2.gz IRFGROGUSJLMSX-UHFFFAOYSA-N -1 1 351.378 0.484 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC001592334674 1285245264 /nfs/dbraw/zinc/24/52/64/1285245264.db2.gz DHEMAPAVYAFVON-SMDDNHRTSA-N -1 1 372.433 0.955 20 30 FCEDMM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592478008 1285416265 /nfs/dbraw/zinc/41/62/65/1285416265.db2.gz LTZGFAAFOZHNFE-INTQDDNPSA-N -1 1 358.431 0.828 20 30 FCEDMM Cn1cc([C@H]2CSCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592570448 1285485818 /nfs/dbraw/zinc/48/58/18/1285485818.db2.gz UMKXLADYGJRHCE-LLVKDONJSA-N -1 1 354.403 0.556 20 30 FCEDMM N#C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CCN1C1CC1 ZINC001592671306 1285567264 /nfs/dbraw/zinc/56/72/64/1285567264.db2.gz CNDBNHPCNPJBHQ-SNVBAGLBSA-N -1 1 365.444 0.289 20 30 FCEDMM N#CCN1CCC(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001592677735 1285571956 /nfs/dbraw/zinc/57/19/56/1285571956.db2.gz IQNYLRSOZNQQON-UHFFFAOYSA-N -1 1 353.433 0.194 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592679266 1285575951 /nfs/dbraw/zinc/57/59/51/1285575951.db2.gz KUKRAJUWLXDAGR-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592679267 1285576860 /nfs/dbraw/zinc/57/68/60/1285576860.db2.gz KUKRAJUWLXDAGR-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001592679270 1285576932 /nfs/dbraw/zinc/57/69/32/1285576932.db2.gz KUOOBPWVSSTMEP-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001592679270 1285576939 /nfs/dbraw/zinc/57/69/39/1285576939.db2.gz KUOOBPWVSSTMEP-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679344 1285576999 /nfs/dbraw/zinc/57/69/99/1285576999.db2.gz NLOQFMYDMOGFOC-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679344 1285577002 /nfs/dbraw/zinc/57/70/02/1285577002.db2.gz NLOQFMYDMOGFOC-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592680470 1285578072 /nfs/dbraw/zinc/57/80/72/1285578072.db2.gz OPVAYHLGTHJLBB-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592680470 1285578077 /nfs/dbraw/zinc/57/80/77/1285578077.db2.gz OPVAYHLGTHJLBB-LLVKDONJSA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccc(N3CCNC3=O)c2)nc1-c1nn[nH]n1 ZINC001592682101 1285580431 /nfs/dbraw/zinc/58/04/31/1285580431.db2.gz PIURWVYMHSEIRD-UHFFFAOYSA-N -1 1 364.329 0.243 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cn2ccc(=O)c3ccccc32)nc1-c1nn[nH]n1 ZINC001592683075 1285580798 /nfs/dbraw/zinc/58/07/98/1285580798.db2.gz KFEMFDUTBAHSHZ-UHFFFAOYSA-N -1 1 361.325 0.415 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NCCc1c(F)cccc1F ZINC001592684300 1285583730 /nfs/dbraw/zinc/58/37/30/1285583730.db2.gz WTGHZAHPSRYVAO-UHFFFAOYSA-N -1 1 358.312 0.572 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1noc(-c2ccc(F)cc2F)n1 ZINC001592684130 1285583995 /nfs/dbraw/zinc/58/39/95/1285583995.db2.gz OWASSFLDUBYUNV-UHFFFAOYSA-N -1 1 370.283 0.894 20 30 FCEDMM N#Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Br ZINC001592689174 1285585828 /nfs/dbraw/zinc/58/58/28/1285585828.db2.gz HPULLXMNKXICHI-UHFFFAOYSA-N -1 1 374.162 0.731 20 30 FCEDMM N#Cc1ncc(N2CCC[C@@H](C(=O)NCC3CC3)C2)nc1-c1nn[n-]n1 ZINC001592708455 1285593276 /nfs/dbraw/zinc/59/32/76/1285593276.db2.gz RRNXONGZTSWCFZ-LLVKDONJSA-N -1 1 353.390 0.271 20 30 FCEDMM N#Cc1nc(NCCc2cnc3c(Cl)cnn3c2)cnc1-c1nnn[n-]1 ZINC001592707515 1285593746 /nfs/dbraw/zinc/59/37/46/1285593746.db2.gz JCANACDHBRKSSQ-UHFFFAOYSA-N -1 1 367.764 0.879 20 30 FCEDMM N#Cc1nc(NCCc2cnc3c(Cl)cnn3c2)cnc1-c1nn[n-]n1 ZINC001592707515 1285593753 /nfs/dbraw/zinc/59/37/53/1285593753.db2.gz JCANACDHBRKSSQ-UHFFFAOYSA-N -1 1 367.764 0.879 20 30 FCEDMM N#Cc1ncc(NCc2cnc(Br)cn2)nc1-c1nn[n-]n1 ZINC001592708902 1285594484 /nfs/dbraw/zinc/59/44/84/1285594484.db2.gz YZOVOFHBRZHQRW-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM N#Cc1sccc1N1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001592711368 1285596512 /nfs/dbraw/zinc/59/65/12/1285596512.db2.gz BNNMJLCKCWHLFR-UHFFFAOYSA-N -1 1 368.426 0.741 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592766635 1285688972 /nfs/dbraw/zinc/68/89/72/1285688972.db2.gz PMUGJEBFPHQZLQ-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592766635 1285688978 /nfs/dbraw/zinc/68/89/78/1285688978.db2.gz PMUGJEBFPHQZLQ-ZDUSSCGKSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592768885 1285693695 /nfs/dbraw/zinc/69/36/95/1285693695.db2.gz QCIFZEZYASTGQU-UHFFFAOYSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592768885 1285693696 /nfs/dbraw/zinc/69/36/96/1285693696.db2.gz QCIFZEZYASTGQU-UHFFFAOYSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592768433 1285693698 /nfs/dbraw/zinc/69/36/98/1285693698.db2.gz JSKHGBBCVVRFEF-MJBXVCDLSA-N -1 1 364.413 0.544 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592768433 1285693699 /nfs/dbraw/zinc/69/36/99/1285693699.db2.gz JSKHGBBCVVRFEF-MJBXVCDLSA-N -1 1 364.413 0.544 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001592769669 1285694151 /nfs/dbraw/zinc/69/41/51/1285694151.db2.gz WGHNOHCFEROPDO-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001592769669 1285694162 /nfs/dbraw/zinc/69/41/62/1285694162.db2.gz WGHNOHCFEROPDO-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592769325 1285694837 /nfs/dbraw/zinc/69/48/37/1285694837.db2.gz UFQXNURBPOIZDM-CHWSQXEVSA-N -1 1 352.402 0.331 20 30 FCEDMM O=C([O-])C#C[C@@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C1 ZINC001593274940 1286058686 /nfs/dbraw/zinc/05/86/86/1286058686.db2.gz BVDZLLRUFQFZSI-VIFPVBQESA-N -1 1 367.412 0.417 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc(C#N)c2)c1 ZINC001609301982 1289074173 /nfs/dbraw/zinc/07/41/73/1289074173.db2.gz MCXKMEQGBKIBQG-UHFFFAOYSA-N -1 1 366.337 0.766 20 30 FCEDMM N#CC1(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001601053783 1286623806 /nfs/dbraw/zinc/62/38/06/1286623806.db2.gz SMEUWIUORPXBJZ-QGZVFWFLSA-N -1 1 351.403 0.085 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(C(=O)[O-])c1 ZINC001601112317 1286638440 /nfs/dbraw/zinc/63/84/40/1286638440.db2.gz YYIMKSOBBRACMD-QWHCGFSZSA-N -1 1 365.411 0.398 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602703661 1287064629 /nfs/dbraw/zinc/06/46/29/1287064629.db2.gz XTJQCCBWMHQFFT-CHWSQXEVSA-N -1 1 354.418 0.531 20 30 FCEDMM C#CCCCC(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602703490 1287066805 /nfs/dbraw/zinc/06/68/05/1287066805.db2.gz SHAZYLNYKUEFHX-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602703490 1287066815 /nfs/dbraw/zinc/06/68/15/1287066815.db2.gz SHAZYLNYKUEFHX-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602703513 1287067094 /nfs/dbraw/zinc/06/70/94/1287067094.db2.gz SVIZXGJVSHVFEW-UHFFFAOYSA-N -1 1 356.434 0.779 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602709828 1287067729 /nfs/dbraw/zinc/06/77/29/1287067729.db2.gz KDVQRCMNFFNYPL-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602709828 1287067741 /nfs/dbraw/zinc/06/77/41/1287067741.db2.gz KDVQRCMNFFNYPL-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001602709702 1287068929 /nfs/dbraw/zinc/06/89/29/1287068929.db2.gz IMXGBHWGGMGYDR-ATCWAGBWSA-N -1 1 352.402 0.401 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001602709702 1287068941 /nfs/dbraw/zinc/06/89/41/1287068941.db2.gz IMXGBHWGGMGYDR-ATCWAGBWSA-N -1 1 352.402 0.401 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602714596 1287069888 /nfs/dbraw/zinc/06/98/88/1287069888.db2.gz WIIRKHVEPKEKOV-OCCSQVGLSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602714596 1287069897 /nfs/dbraw/zinc/06/98/97/1287069897.db2.gz WIIRKHVEPKEKOV-OCCSQVGLSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602714573 1287070272 /nfs/dbraw/zinc/07/02/72/1287070272.db2.gz VLDOQDUIXJCICY-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602714573 1287070284 /nfs/dbraw/zinc/07/02/84/1287070284.db2.gz VLDOQDUIXJCICY-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001602724192 1287081354 /nfs/dbraw/zinc/08/13/54/1287081354.db2.gz BRQFSQHIOYDEDO-APPDUMDISA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001602724192 1287081365 /nfs/dbraw/zinc/08/13/65/1287081365.db2.gz BRQFSQHIOYDEDO-APPDUMDISA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602726914 1287088553 /nfs/dbraw/zinc/08/85/53/1287088553.db2.gz UIUWDPXSSSGQKM-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602726914 1287088565 /nfs/dbraw/zinc/08/85/65/1287088565.db2.gz UIUWDPXSSSGQKM-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602727063 1287092864 /nfs/dbraw/zinc/09/28/64/1287092864.db2.gz KJXZXCJOHLHUPE-UHFFFAOYSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602727063 1287092874 /nfs/dbraw/zinc/09/28/74/1287092874.db2.gz KJXZXCJOHLHUPE-UHFFFAOYSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001602727428 1287094707 /nfs/dbraw/zinc/09/47/07/1287094707.db2.gz XMXCWBBNSPENHH-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001602727428 1287094717 /nfs/dbraw/zinc/09/47/17/1287094717.db2.gz XMXCWBBNSPENHH-PWSUYJOCSA-N -1 1 356.390 0.002 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001602736589 1287098297 /nfs/dbraw/zinc/09/82/97/1287098297.db2.gz ARKYOAPCODWBPO-CQSZACIVSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001602736589 1287098308 /nfs/dbraw/zinc/09/83/08/1287098308.db2.gz ARKYOAPCODWBPO-CQSZACIVSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001602735885 1287098531 /nfs/dbraw/zinc/09/85/31/1287098531.db2.gz VDWLLTMPYYOBOH-AWEZNQCLSA-N -1 1 374.408 0.634 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001602737466 1287099894 /nfs/dbraw/zinc/09/98/94/1287099894.db2.gz SCRNJBKSZKXJRT-GFCCVEGCSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001602737466 1287099902 /nfs/dbraw/zinc/09/99/02/1287099902.db2.gz SCRNJBKSZKXJRT-GFCCVEGCSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602742387 1287101142 /nfs/dbraw/zinc/10/11/42/1287101142.db2.gz CTAYXLHNQSLRSC-GASCZTMLSA-N 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C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573584934 947237774 /nfs/dbraw/zinc/23/77/74/947237774.db2.gz AWDMPFKCARHYAJ-IJLUTSLNSA-N -1 1 355.406 0.325 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573585390 947256178 /nfs/dbraw/zinc/25/61/78/947256178.db2.gz FJEJYCTWLJJVCN-RULNZFCNSA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573585390 947256191 /nfs/dbraw/zinc/25/61/91/947256191.db2.gz FJEJYCTWLJJVCN-RULNZFCNSA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573586557 947288573 /nfs/dbraw/zinc/28/85/73/947288573.db2.gz QRRYVKYNHAAXRB-SRVKXCTJSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573586557 947288581 /nfs/dbraw/zinc/28/85/81/947288581.db2.gz QRRYVKYNHAAXRB-SRVKXCTJSA-N -1 1 355.406 0.903 20 30 FCEDMM C=CCCC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573329991 947430738 /nfs/dbraw/zinc/43/07/38/947430738.db2.gz RWOQVBUVCAGEKA-ZDUSSCGKSA-N -1 1 372.433 0.413 20 30 FCEDMM C=CCCC(=O)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573329991 947430749 /nfs/dbraw/zinc/43/07/49/947430749.db2.gz RWOQVBUVCAGEKA-ZDUSSCGKSA-N -1 1 372.433 0.413 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573335586 947482014 /nfs/dbraw/zinc/48/20/14/947482014.db2.gz AVXOLXGJPNKMSB-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573335586 947482023 /nfs/dbraw/zinc/48/20/23/947482023.db2.gz AVXOLXGJPNKMSB-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573335587 947482612 /nfs/dbraw/zinc/48/26/12/947482612.db2.gz AVXOLXGJPNKMSB-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573335587 947482622 /nfs/dbraw/zinc/48/26/22/947482622.db2.gz AVXOLXGJPNKMSB-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCC(=O)N1CCC(Nc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001573342895 947547330 /nfs/dbraw/zinc/54/73/30/947547330.db2.gz GLUFUEZVCDSQGP-UHFFFAOYSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCOCC(=O)N1CCC(Nc2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001573342895 947547340 /nfs/dbraw/zinc/54/73/40/947547340.db2.gz GLUFUEZVCDSQGP-UHFFFAOYSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573343834 947564790 /nfs/dbraw/zinc/56/47/90/947564790.db2.gz TUFWPGOYUPPVOJ-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573348715 947586182 /nfs/dbraw/zinc/58/61/82/947586182.db2.gz STFHOYVCBMFTQP-STQMWFEESA-N -1 1 370.417 0.429 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573792580 949253967 /nfs/dbraw/zinc/25/39/67/949253967.db2.gz AZOHLZIEJYVWRA-XBFCOCLRSA-N -1 1 366.429 0.932 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573792580 949253989 /nfs/dbraw/zinc/25/39/89/949253989.db2.gz AZOHLZIEJYVWRA-XBFCOCLRSA-N -1 1 366.429 0.932 20 30 FCEDMM CC(C)(C)C#CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573793336 949293444 /nfs/dbraw/zinc/29/34/44/949293444.db2.gz PBLOAJOPADYEBN-UHFFFAOYSA-N -1 1 368.445 0.969 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)C#CC2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866398 949407612 /nfs/dbraw/zinc/40/76/12/949407612.db2.gz FVCNWTUEFQUYQA-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573801982 949408785 /nfs/dbraw/zinc/40/87/85/949408785.db2.gz BGAOHCIICCBHGJ-NSHDSACASA-N -1 1 369.433 0.907 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574738547 950170766 /nfs/dbraw/zinc/17/07/66/950170766.db2.gz GLDYAYSHFOUOHN-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574738547 950170780 /nfs/dbraw/zinc/17/07/80/950170780.db2.gz GLDYAYSHFOUOHN-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM CC(C)(C)OC(=O)[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001573851558 950295845 /nfs/dbraw/zinc/29/58/45/950295845.db2.gz ZWESLJYCBOCFHN-SNVBAGLBSA-N -1 1 358.362 0.075 20 30 FCEDMM CC(C)(C)OC(=O)[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001573851558 950295859 /nfs/dbraw/zinc/29/58/59/950295859.db2.gz ZWESLJYCBOCFHN-SNVBAGLBSA-N -1 1 358.362 0.075 20 30 FCEDMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001570971906 950356941 /nfs/dbraw/zinc/35/69/41/950356941.db2.gz WKHDQLFCJRWVJW-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001570971906 950356956 /nfs/dbraw/zinc/35/69/56/950356956.db2.gz WKHDQLFCJRWVJW-LLVKDONJSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H]1OC[C@]2(CC[C@@H](CNc3cnc(C#N)c(-c4nn[n-]n4)n3)O2)[C@H]1C ZINC001570975299 950439163 /nfs/dbraw/zinc/43/91/63/950439163.db2.gz CLYAQSCSHNOXPC-ZGNZKYAMSA-N -1 1 356.390 0.913 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574995338 950506437 /nfs/dbraw/zinc/50/64/37/950506437.db2.gz DXCZYBUXIDSUDG-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM CCN(CC)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001570980788 950554018 /nfs/dbraw/zinc/55/40/18/950554018.db2.gz RPPRBMRQBVDGGR-UHFFFAOYSA-N -1 1 356.394 0.112 20 30 FCEDMM CCN(CC)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001570980788 950554041 /nfs/dbraw/zinc/55/40/41/950554041.db2.gz RPPRBMRQBVDGGR-UHFFFAOYSA-N -1 1 356.394 0.112 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574997967 950559066 /nfs/dbraw/zinc/55/90/66/950559066.db2.gz ZQLANVBSDXOMBG-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574997967 950559084 /nfs/dbraw/zinc/55/90/84/950559084.db2.gz ZQLANVBSDXOMBG-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM CC(C)(C)c1nnc2n1CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001573884673 950799294 /nfs/dbraw/zinc/79/92/94/950799294.db2.gz IGWUEYSBJBEYPY-UHFFFAOYSA-N -1 1 351.378 0.438 20 30 FCEDMM CC(C)(C)c1nnc2n1CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001573884673 950799310 /nfs/dbraw/zinc/79/93/10/950799310.db2.gz IGWUEYSBJBEYPY-UHFFFAOYSA-N -1 1 351.378 0.438 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1cc[nH]n1 ZINC001590648557 950968571 /nfs/dbraw/zinc/96/85/71/950968571.db2.gz UDYSTGNPEMJVGJ-WDEREUQCSA-N -1 1 366.374 0.405 20 30 FCEDMM Cn1cc(Br)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)n1 ZINC001571003973 951131983 /nfs/dbraw/zinc/13/19/83/951131983.db2.gz AHQWQNYFCHSNNN-UHFFFAOYSA-N -1 1 363.139 0.210 20 30 FCEDMM CS(=O)(=O)C1CCC(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001571004984 951164967 /nfs/dbraw/zinc/16/49/67/951164967.db2.gz VPZTZCAWWHZGFZ-UHFFFAOYSA-N -1 1 362.419 0.544 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571008841 951203862 /nfs/dbraw/zinc/20/38/62/951203862.db2.gz HKIDFWLAVKUQFA-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571008841 951203875 /nfs/dbraw/zinc/20/38/75/951203875.db2.gz HKIDFWLAVKUQFA-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571008858 951205656 /nfs/dbraw/zinc/20/56/56/951205656.db2.gz IAQMNGBWQITYAT-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571008858 951205664 /nfs/dbraw/zinc/20/56/64/951205664.db2.gz IAQMNGBWQITYAT-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009437 951209780 /nfs/dbraw/zinc/20/97/80/951209780.db2.gz LSOLWHCGGYPJCP-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009437 951209791 /nfs/dbraw/zinc/20/97/91/951209791.db2.gz LSOLWHCGGYPJCP-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(CCc1ccccn1)C(=O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001571010877 951220320 /nfs/dbraw/zinc/22/03/20/951220320.db2.gz VKJSYEQJMKXGAE-UHFFFAOYSA-N -1 1 364.373 0.036 20 30 FCEDMM CN(CCc1ccccn1)C(=O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001571010877 951220329 /nfs/dbraw/zinc/22/03/29/951220329.db2.gz VKJSYEQJMKXGAE-UHFFFAOYSA-N -1 1 364.373 0.036 20 30 FCEDMM CCn1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C(F)(F)F)n1 ZINC001571020675 951397625 /nfs/dbraw/zinc/39/76/25/951397625.db2.gz RZKFDTVQFRBGFZ-UHFFFAOYSA-N -1 1 366.267 0.949 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571032022 951541218 /nfs/dbraw/zinc/54/12/18/951541218.db2.gz IHVNFVWZUUVMKB-PRXAMGSTSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571032022 951541223 /nfs/dbraw/zinc/54/12/23/951541223.db2.gz IHVNFVWZUUVMKB-PRXAMGSTSA-N -1 1 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CCOC(=O)CON=C(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1cc[nH]n1 ZINC001603797043 974266380 /nfs/dbraw/zinc/26/63/80/974266380.db2.gz WJHNSTGSFNOTRO-UHFFFAOYSA-N -1 1 368.390 0.653 20 30 FCEDMM Cn1c(=O)c(C=NNc2ccc(C(=O)[O-])cn2)c(N2CCCC2)n(C)c1=O ZINC000817326877 978903584 /nfs/dbraw/zinc/90/35/84/978903584.db2.gz XLAVLPHEZMZSDN-UHFFFAOYSA-N -1 1 372.385 0.223 20 30 FCEDMM C[C@](Cn1cccn1)(NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)[O-] ZINC001592926643 979950227 /nfs/dbraw/zinc/95/02/27/979950227.db2.gz UOVDTWXRUGRKKZ-CQSZACIVSA-N -1 1 370.337 0.855 20 30 FCEDMM C#CCN1CCC(c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2CCOC)CC1 ZINC001588475715 983509103 /nfs/dbraw/zinc/50/91/03/983509103.db2.gz GUZHQWNVKORDOG-OAHLLOKOSA-N -1 1 361.446 0.648 20 30 FCEDMM C#CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC001588475882 983509327 /nfs/dbraw/zinc/50/93/27/983509327.db2.gz IPTDEMFWSDNVNF-UHFFFAOYSA-N -1 1 373.409 0.936 20 30 FCEDMM C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC001588524147 983573676 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/nfs/dbraw/zinc/88/54/21/1260885421.db2.gz AFGGLVHOVAMZEZ-LLVKDONJSA-N -1 1 373.438 0.929 20 30 FCEDMM N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC001318490049 1263580041 /nfs/dbraw/zinc/58/00/41/1263580041.db2.gz IPULOBHZJMNTGR-TZMCWYRMSA-N -1 1 367.369 0.024 20 30 FCEDMM Cn1c(Cc2nnn[n-]2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001526030448 1266779634 /nfs/dbraw/zinc/77/96/34/1266779634.db2.gz BKALCRAJGXZJEU-UHFFFAOYSA-N -1 1 365.401 0.838 20 30 FCEDMM Cn1c(Cc2nn[n-]n2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001526030448 1266779642 /nfs/dbraw/zinc/77/96/42/1266779642.db2.gz BKALCRAJGXZJEU-UHFFFAOYSA-N -1 1 365.401 0.838 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)cc2Cl)c(=O)n1C ZINC001580521920 1278446983 /nfs/dbraw/zinc/44/69/83/1278446983.db2.gz CZRKYNVIPKGUGY-UHFFFAOYSA-N -1 1 357.761 0.609 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573942873 1270949293 /nfs/dbraw/zinc/94/92/93/1270949293.db2.gz QBWYGIQBFITQPN-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573942873 1270949296 /nfs/dbraw/zinc/94/92/96/1270949296.db2.gz QBWYGIQBFITQPN-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C[C@H](NCC(F)(F)F)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001574237335 1271111951 /nfs/dbraw/zinc/11/19/51/1271111951.db2.gz KWDSYTZPCUGZCB-ZETCQYMHSA-N -1 1 371.327 0.967 20 30 FCEDMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574811360 1271552206 /nfs/dbraw/zinc/55/22/06/1271552206.db2.gz OLRLVCTZECPNQO-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574811360 1271552211 /nfs/dbraw/zinc/55/22/11/1271552211.db2.gz OLRLVCTZECPNQO-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575330396 1271944807 /nfs/dbraw/zinc/94/48/07/1271944807.db2.gz LAVFKSSPEJLYRG-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575330396 1271944812 /nfs/dbraw/zinc/94/48/12/1271944812.db2.gz LAVFKSSPEJLYRG-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)C#CC2CC2)n1 ZINC001580668197 1278679654 /nfs/dbraw/zinc/67/96/54/1278679654.db2.gz NBMQYOPSAXYMBC-CQSZACIVSA-N -1 1 366.429 0.854 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)C#CC2CC2)n1 ZINC001580668197 1278679662 /nfs/dbraw/zinc/67/96/62/1278679662.db2.gz NBMQYOPSAXYMBC-CQSZACIVSA-N -1 1 366.429 0.854 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001575702593 1272327456 /nfs/dbraw/zinc/32/74/56/1272327456.db2.gz KWZRDCHNVCOABO-NSHDSACASA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001575702593 1272327465 /nfs/dbraw/zinc/32/74/65/1272327465.db2.gz KWZRDCHNVCOABO-NSHDSACASA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@]1([C@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)COC(=O)N1 ZINC001575753246 1272416290 /nfs/dbraw/zinc/41/62/90/1272416290.db2.gz ZVGJSXXGNCARMG-BJOHPYRUSA-N -1 1 355.362 0.243 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575816483 1272472129 /nfs/dbraw/zinc/47/21/29/1272472129.db2.gz JTYRFUPFPLLJES-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575816483 1272472136 /nfs/dbraw/zinc/47/21/36/1272472136.db2.gz JTYRFUPFPLLJES-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)[C@H](C)C#N)CCOCC2)n1 ZINC001580701729 1278752902 /nfs/dbraw/zinc/75/29/02/1278752902.db2.gz UHVCATROSWXVSW-SNVBAGLBSA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)[C@H](C)C#N)CCOCC2)n1 ZINC001580701729 1278752910 /nfs/dbraw/zinc/75/29/10/1278752910.db2.gz UHVCATROSWXVSW-SNVBAGLBSA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)C#CC3CC3)C2)n1 ZINC001580705215 1278759020 /nfs/dbraw/zinc/75/90/20/1278759020.db2.gz SGHXNNNGPMMPIL-UHFFFAOYSA-N -1 1 352.402 0.685 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)C#CC3CC3)C2)n1 ZINC001580705215 1278759026 /nfs/dbraw/zinc/75/90/26/1278759026.db2.gz SGHXNNNGPMMPIL-UHFFFAOYSA-N -1 1 352.402 0.685 20 30 FCEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001576362940 1273186526 /nfs/dbraw/zinc/18/65/26/1273186526.db2.gz CWZJLEDUBGMNPK-SNVBAGLBSA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001576362940 1273186528 /nfs/dbraw/zinc/18/65/28/1273186528.db2.gz CWZJLEDUBGMNPK-SNVBAGLBSA-N -1 1 365.357 0.472 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580719344 1278792779 /nfs/dbraw/zinc/79/27/79/1278792779.db2.gz AIKGRTXAPJVKTE-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580719344 1278792787 /nfs/dbraw/zinc/79/27/87/1278792787.db2.gz AIKGRTXAPJVKTE-VIFPVBQESA-N -1 1 366.389 0.643 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523397 1274469427 /nfs/dbraw/zinc/46/94/27/1274469427.db2.gz RWSFUOOIECCAMZ-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523397 1274469431 /nfs/dbraw/zinc/46/94/31/1274469431.db2.gz RWSFUOOIECCAMZ-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580754988 1278871184 /nfs/dbraw/zinc/87/11/84/1278871184.db2.gz DARUPODDTXQOKT-ZMLRMANQSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580754988 1278871191 /nfs/dbraw/zinc/87/11/91/1278871191.db2.gz DARUPODDTXQOKT-ZMLRMANQSA-N -1 1 355.406 0.822 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577642308 1274634462 /nfs/dbraw/zinc/63/44/62/1274634462.db2.gz FUWSWAWMIFGTMD-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577642308 1274634469 /nfs/dbraw/zinc/63/44/69/1274634469.db2.gz FUWSWAWMIFGTMD-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001578571505 1276003815 /nfs/dbraw/zinc/00/38/15/1276003815.db2.gz PUPUHVBJXSXQPZ-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001578571505 1276003821 /nfs/dbraw/zinc/00/38/21/1276003821.db2.gz PUPUHVBJXSXQPZ-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CC)[C@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001578572819 1276004376 /nfs/dbraw/zinc/00/43/76/1276004376.db2.gz NMQBKIKLDQTTIT-GHMZBOCLSA-N -1 1 357.422 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CC)[C@H](C)CNC(=O)[C@H](C)C#N)n1 ZINC001578572819 1276004381 /nfs/dbraw/zinc/00/43/81/1276004381.db2.gz NMQBKIKLDQTTIT-GHMZBOCLSA-N -1 1 357.422 0.710 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)C#CC(C)C)C2)n1 ZINC001578581482 1276015430 /nfs/dbraw/zinc/01/54/30/1276015430.db2.gz ZBHHUDWBOVKXPT-CYBMUJFWSA-N -1 1 368.445 0.916 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)C#CC(C)C)C2)n1 ZINC001578581482 1276015435 /nfs/dbraw/zinc/01/54/35/1276015435.db2.gz ZBHHUDWBOVKXPT-CYBMUJFWSA-N -1 1 368.445 0.916 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2CC)n1 ZINC001578594303 1276028269 /nfs/dbraw/zinc/02/82/69/1276028269.db2.gz DMQFIBQEGFEZNT-GMXVVIOVSA-N -1 1 369.433 0.852 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@H](C)C#N)[C@H]2CC)n1 ZINC001578594303 1276028274 /nfs/dbraw/zinc/02/82/74/1276028274.db2.gz DMQFIBQEGFEZNT-GMXVVIOVSA-N -1 1 369.433 0.852 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001578598273 1276029114 /nfs/dbraw/zinc/02/91/14/1276029114.db2.gz QHRHPRWSMQSAHR-NTZNESFSSA-N -1 1 367.417 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001578598273 1276029117 /nfs/dbraw/zinc/02/91/17/1276029117.db2.gz QHRHPRWSMQSAHR-NTZNESFSSA-N -1 1 367.417 0.416 20 30 FCEDMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001578655358 1276105821 /nfs/dbraw/zinc/10/58/21/1276105821.db2.gz MXDUEISDMALHMW-WDEREUQCSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001578655358 1276105826 /nfs/dbraw/zinc/10/58/26/1276105826.db2.gz MXDUEISDMALHMW-WDEREUQCSA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578921834 1276464774 /nfs/dbraw/zinc/46/47/74/1276464774.db2.gz YVOKQOVVQKYXDS-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)c1n[nH]c(C2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)n1 ZINC001579002144 1276571648 /nfs/dbraw/zinc/57/16/48/1276571648.db2.gz KYJJRFKKJHPDLX-UHFFFAOYSA-N -1 1 366.393 0.096 20 30 FCEDMM CN(C[C@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579064276 1276674657 /nfs/dbraw/zinc/67/46/57/1276674657.db2.gz YOHFOBDZNHXVAQ-LBPRGKRZSA-N -1 1 374.382 0.685 20 30 FCEDMM CNC(=O)CCOc1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001579393757 1277278656 /nfs/dbraw/zinc/27/86/56/1277278656.db2.gz DOVHITPZQRKJHG-UHFFFAOYSA-N -1 1 365.357 0.787 20 30 FCEDMM CNC(=O)CCOc1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001579393757 1277278662 /nfs/dbraw/zinc/27/86/62/1277278662.db2.gz DOVHITPZQRKJHG-UHFFFAOYSA-N -1 1 365.357 0.787 20 30 FCEDMM COC(=O)C1(C#N)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001579438185 1277312458 /nfs/dbraw/zinc/31/24/58/1277312458.db2.gz CGVSMYNFIKNWTQ-UHFFFAOYSA-N -1 1 354.374 0.817 20 30 FCEDMM COC(=O)C1(C#N)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001579438185 1277312466 /nfs/dbraw/zinc/31/24/66/1277312466.db2.gz CGVSMYNFIKNWTQ-UHFFFAOYSA-N -1 1 354.374 0.817 20 30 FCEDMM COC(=O)C1(c2ccc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)cc2)CC1 ZINC001579439343 1277316752 /nfs/dbraw/zinc/31/67/52/1277316752.db2.gz MISLWKZQWPOOCK-UHFFFAOYSA-N -1 1 364.369 0.770 20 30 FCEDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001603098967 1287309412 /nfs/dbraw/zinc/30/94/12/1287309412.db2.gz OMUHUZISBNTYER-KYZUINATSA-N -1 1 357.378 0.996 20 30 FCEDMM COCCN(CCNC(=O)C#CC(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001579792931 1277914498 /nfs/dbraw/zinc/91/44/98/1277914498.db2.gz ORCDXMCEEOZSFT-UHFFFAOYSA-N -1 1 372.433 0.275 20 30 FCEDMM COc1cc(OC)cc([C@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001579937314 1277971315 /nfs/dbraw/zinc/97/13/15/1277971315.db2.gz IMNKKXZVCABHDQ-CYBMUJFWSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1ccc2c(c1)OCCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001580050066 1277998386 /nfs/dbraw/zinc/99/83/86/1277998386.db2.gz FBMCWRFDINDVCA-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CS(=O)(=O)CC1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001580159712 1278021934 /nfs/dbraw/zinc/02/19/34/1278021934.db2.gz BHOQLTQGSPVNES-UHFFFAOYSA-N -1 1 362.419 0.544 20 30 FCEDMM CS(=O)(=O)CC1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001580159712 1278021940 /nfs/dbraw/zinc/02/19/40/1278021940.db2.gz BHOQLTQGSPVNES-UHFFFAOYSA-N -1 1 362.419 0.544 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603188666 1287325225 /nfs/dbraw/zinc/32/52/25/1287325225.db2.gz BFAXZGZHTBJAAD-CYBMUJFWSA-N -1 1 354.418 0.649 20 30 FCEDMM Cc1cc(CN2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)no1 ZINC001580922837 1279131272 /nfs/dbraw/zinc/13/12/72/1279131272.db2.gz BLULZIOVMWCQTE-UHFFFAOYSA-N -1 1 366.389 0.537 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001603189536 1287326958 /nfs/dbraw/zinc/32/69/58/1287326958.db2.gz OHOPSZWHSKBULT-CHWSQXEVSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001603189536 1287326962 /nfs/dbraw/zinc/32/69/62/1287326962.db2.gz OHOPSZWHSKBULT-CHWSQXEVSA-N -1 1 370.417 0.344 20 30 FCEDMM Cc1cccc(OC[C@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581246782 1279523444 /nfs/dbraw/zinc/52/34/44/1279523444.db2.gz IWTCHYOSEPRFSC-LLVKDONJSA-N -1 1 352.358 0.689 20 30 FCEDMM Cc1cccc(OC[C@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581246782 1279523446 /nfs/dbraw/zinc/52/34/46/1279523446.db2.gz IWTCHYOSEPRFSC-LLVKDONJSA-N -1 1 352.358 0.689 20 30 FCEDMM Cc1ccnc(NC(=O)CN(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001581281503 1279579131 /nfs/dbraw/zinc/57/91/31/1279579131.db2.gz LDDIFMBTQJIFSM-UHFFFAOYSA-N -1 1 350.346 0.307 20 30 FCEDMM Cc1nsc(N(C)CCNC(=O)c2ccc(C#N)[nH]2)c1-c1nn[n-]n1 ZINC001581663874 1280373122 /nfs/dbraw/zinc/37/31/22/1280373122.db2.gz FEBWLLJLZYOKSM-UHFFFAOYSA-N -1 1 357.403 0.698 20 30 FCEDMM N#C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCN1C1CC1 ZINC001581856718 1280608256 /nfs/dbraw/zinc/60/82/56/1280608256.db2.gz ALQWMFMQHICZCN-LLVKDONJSA-N -1 1 358.431 0.810 20 30 FCEDMM N#CC1(NC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)CCCCC1 ZINC001581857162 1280608419 /nfs/dbraw/zinc/60/84/19/1280608419.db2.gz RIFUEZYBZUZGAT-UHFFFAOYSA-N -1 1 367.413 0.860 20 30 FCEDMM N#CC[C@]1(O)CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001581858146 1280608929 /nfs/dbraw/zinc/60/89/29/1280608929.db2.gz SGASIICWQNPUJE-NSHDSACASA-N -1 1 354.783 0.859 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)nc1-c1nn[nH]n1 ZINC001581860015 1280610860 /nfs/dbraw/zinc/61/08/60/1280610860.db2.gz HDPYNLMHAROETF-PSASIEDQSA-N -1 1 374.361 0.101 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581858557 1280611396 /nfs/dbraw/zinc/61/13/96/1280611396.db2.gz LZMAROUSINFVRV-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581858557 1280611402 /nfs/dbraw/zinc/61/14/02/1280611402.db2.gz LZMAROUSINFVRV-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)nc1-c1nn[nH]n1 ZINC001581860066 1280611882 /nfs/dbraw/zinc/61/18/82/1280611882.db2.gz IZMYTROGCJDOJH-OAHLLOKOSA-N -1 1 355.362 0.096 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001581863363 1280615528 /nfs/dbraw/zinc/61/55/28/1280615528.db2.gz KIYHAFCAGFWLSY-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001581863363 1280615540 /nfs/dbraw/zinc/61/55/40/1280615540.db2.gz KIYHAFCAGFWLSY-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)c[nH]1 ZINC001581866013 1280620613 /nfs/dbraw/zinc/62/06/13/1280620613.db2.gz RMRYSSZJNZQORW-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)c[nH]1 ZINC001581866013 1280620616 /nfs/dbraw/zinc/62/06/16/1280620616.db2.gz RMRYSSZJNZQORW-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c[nH]1 ZINC001581866278 1280621313 /nfs/dbraw/zinc/62/13/13/1280621313.db2.gz WZHLQXNESXDDGV-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c[nH]1 ZINC001581866278 1280621320 /nfs/dbraw/zinc/62/13/20/1280621320.db2.gz WZHLQXNESXDDGV-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581867430 1280623709 /nfs/dbraw/zinc/62/37/09/1280623709.db2.gz IBNCDYWFYQTXFB-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581867430 1280623715 /nfs/dbraw/zinc/62/37/15/1280623715.db2.gz IBNCDYWFYQTXFB-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001581868375 1280624697 /nfs/dbraw/zinc/62/46/97/1280624697.db2.gz RUKURIMEYLGUBV-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001581868375 1280624702 /nfs/dbraw/zinc/62/47/02/1280624702.db2.gz RUKURIMEYLGUBV-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1nc(N2CCC(c3nncn3C3CC3)CC2)cnc1-c1nnn[n-]1 ZINC001581879573 1280636649 /nfs/dbraw/zinc/63/66/49/1280636649.db2.gz PXUHQTXPVWKQOF-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM N#Cc1nc(N2CCC(c3nncn3C3CC3)CC2)cnc1-c1nn[n-]n1 ZINC001581879573 1280636656 /nfs/dbraw/zinc/63/66/56/1280636656.db2.gz PXUHQTXPVWKQOF-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)nc1-c1nn[n-]n1 ZINC001581881860 1280640397 /nfs/dbraw/zinc/64/03/97/1280640397.db2.gz CQYUUYARQXCPRF-SJCJKPOMSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(CC(F)(F)F)C2=O)cnc1-c1nnn[n-]1 ZINC001581880519 1280641100 /nfs/dbraw/zinc/64/11/00/1280641100.db2.gz MWGWKDYCNAUSOZ-LURJTMIESA-N -1 1 353.268 0.103 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(CC(F)(F)F)C2=O)cnc1-c1nn[n-]n1 ZINC001581880519 1280641106 /nfs/dbraw/zinc/64/11/06/1280641106.db2.gz MWGWKDYCNAUSOZ-LURJTMIESA-N -1 1 353.268 0.103 20 30 FCEDMM N#Cc1nc(NCc2nnc(C3CCOCC3)[nH]2)cnc1-c1nn[n-]n1 ZINC001581881122 1280641735 /nfs/dbraw/zinc/64/17/35/1280641735.db2.gz LFXHDVUZKDCHPU-UHFFFAOYSA-N -1 1 353.350 0.153 20 30 FCEDMM N#Cc1ncc(N2Cc3cccnc3N3CCC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001581882899 1280644002 /nfs/dbraw/zinc/64/40/02/1280644002.db2.gz LBROOCGZOSSGKT-LBPRGKRZSA-N -1 1 360.385 0.912 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[n-]n1 ZINC001581882707 1280645112 /nfs/dbraw/zinc/64/51/12/1280645112.db2.gz GAUCFEBNDDAWQA-SNVBAGLBSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(c3ccc(F)cc3)C2=O)nc1-c1nn[n-]n1 ZINC001581882545 1280645639 /nfs/dbraw/zinc/64/56/39/1280645639.db2.gz CICRIFHUDYSHBO-NSHDSACASA-N -1 1 365.332 0.885 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001581912546 1280714894 /nfs/dbraw/zinc/71/48/94/1280714894.db2.gz PKXRWQCRUICGJV-QMMMGPOBSA-N -1 1 367.822 0.279 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001581912546 1280714901 /nfs/dbraw/zinc/71/49/01/1280714901.db2.gz PKXRWQCRUICGJV-QMMMGPOBSA-N -1 1 367.822 0.279 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001581912643 1280716534 /nfs/dbraw/zinc/71/65/34/1280716534.db2.gz SGPRZZODRBFZEE-ZDUSSCGKSA-N -1 1 352.402 0.863 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001581912643 1280716541 /nfs/dbraw/zinc/71/65/41/1280716541.db2.gz SGPRZZODRBFZEE-ZDUSSCGKSA-N -1 1 352.402 0.863 20 30 FCEDMM C#C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 ZINC001588328687 1282421545 /nfs/dbraw/zinc/42/15/45/1282421545.db2.gz NOJNUIUJNFUSHW-LLVKDONJSA-N -1 1 371.788 0.704 20 30 FCEDMM C#CC1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCCC1 ZINC001588333172 1282425228 /nfs/dbraw/zinc/42/52/28/1282425228.db2.gz FDDYRRRESDMAMD-UHFFFAOYSA-N -1 1 370.417 0.819 20 30 FCEDMM C#CC1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCCC1 ZINC001588333172 1282425231 /nfs/dbraw/zinc/42/52/31/1282425231.db2.gz FDDYRRRESDMAMD-UHFFFAOYSA-N -1 1 370.417 0.819 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588336246 1282429217 /nfs/dbraw/zinc/42/92/17/1282429217.db2.gz KVRWZFQVEMIVOX-STQMWFEESA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588336246 1282429220 /nfs/dbraw/zinc/42/92/20/1282429220.db2.gz KVRWZFQVEMIVOX-STQMWFEESA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588338751 1282432283 /nfs/dbraw/zinc/43/22/83/1282432283.db2.gz OZAIQWOUFDNVQV-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588338751 1282432289 /nfs/dbraw/zinc/43/22/89/1282432289.db2.gz OZAIQWOUFDNVQV-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001588340999 1282436586 /nfs/dbraw/zinc/43/65/86/1282436586.db2.gz PWEJIVQTPLOCIC-CHWSQXEVSA-N -1 1 354.418 0.649 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001588340999 1282436592 /nfs/dbraw/zinc/43/65/92/1282436592.db2.gz PWEJIVQTPLOCIC-CHWSQXEVSA-N -1 1 354.418 0.649 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588340951 1282436836 /nfs/dbraw/zinc/43/68/36/1282436836.db2.gz NOCCSUNYVSZJNY-XBFCOCLRSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588340951 1282436839 /nfs/dbraw/zinc/43/68/39/1282436839.db2.gz NOCCSUNYVSZJNY-XBFCOCLRSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588341321 1282436915 /nfs/dbraw/zinc/43/69/15/1282436915.db2.gz DKRIOGXHILQUFI-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588341321 1282436917 /nfs/dbraw/zinc/43/69/17/1282436917.db2.gz DKRIOGXHILQUFI-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588342397 1282437703 /nfs/dbraw/zinc/43/77/03/1282437703.db2.gz LTUNDVDEOLLOCV-CYBMUJFWSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588342397 1282437706 /nfs/dbraw/zinc/43/77/06/1282437706.db2.gz LTUNDVDEOLLOCV-CYBMUJFWSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588342212 1282438026 /nfs/dbraw/zinc/43/80/26/1282438026.db2.gz VXRLRSAQTSKNPG-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588342283 1282438947 /nfs/dbraw/zinc/43/89/47/1282438947.db2.gz XBPQUNQCWZWBAO-OLZOCXBDSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCNC(=O)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001588345629 1282440492 /nfs/dbraw/zinc/44/04/92/1282440492.db2.gz HAKIZYFPMRNVIJ-UHFFFAOYSA-N -1 1 373.442 0.106 20 30 FCEDMM C#CCN(CC#CC)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CCOC ZINC001588350227 1282444816 /nfs/dbraw/zinc/44/48/16/1282444816.db2.gz JSVDSJQSZGGVST-UHFFFAOYSA-N -1 1 366.385 0.828 20 30 FCEDMM C#CCN(CC#CC)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CCOC ZINC001588350227 1282444820 /nfs/dbraw/zinc/44/48/20/1282444820.db2.gz JSVDSJQSZGGVST-UHFFFAOYSA-N -1 1 366.385 0.828 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588354822 1282448960 /nfs/dbraw/zinc/44/89/60/1282448960.db2.gz AELGDJGWHDYSEG-JHJVBQTASA-N -1 1 370.417 0.201 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588354822 1282448963 /nfs/dbraw/zinc/44/89/63/1282448963.db2.gz AELGDJGWHDYSEG-JHJVBQTASA-N -1 1 370.417 0.201 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354997 1282452042 /nfs/dbraw/zinc/45/20/42/1282452042.db2.gz BPSIAINULNRJPH-STQMWFEESA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354997 1282452045 /nfs/dbraw/zinc/45/20/45/1282452045.db2.gz BPSIAINULNRJPH-STQMWFEESA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355571 1282456124 /nfs/dbraw/zinc/45/61/24/1282456124.db2.gz JVGRNRQLUYYIKE-ZYHUDNBSSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355571 1282456134 /nfs/dbraw/zinc/45/61/34/1282456134.db2.gz JVGRNRQLUYYIKE-ZYHUDNBSSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001588356811 1282461866 /nfs/dbraw/zinc/46/18/66/1282461866.db2.gz GKGRPAUZIFCCSI-GZTOBOFZSA-N -1 1 361.431 0.754 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588357461 1282465498 /nfs/dbraw/zinc/46/54/98/1282465498.db2.gz MENVYLGQFAQLFM-LBPRGKRZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588357461 1282465506 /nfs/dbraw/zinc/46/55/06/1282465506.db2.gz MENVYLGQFAQLFM-LBPRGKRZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588357703 1282466681 /nfs/dbraw/zinc/46/66/81/1282466681.db2.gz PFYGEMTWWNENAZ-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588357703 1282466686 /nfs/dbraw/zinc/46/66/86/1282466686.db2.gz PFYGEMTWWNENAZ-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001588358349 1282468698 /nfs/dbraw/zinc/46/86/98/1282468698.db2.gz WHCGNHRYZXCTOV-RYUDHWBXSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001588358349 1282468701 /nfs/dbraw/zinc/46/87/01/1282468701.db2.gz WHCGNHRYZXCTOV-RYUDHWBXSA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588358488 1282471291 /nfs/dbraw/zinc/47/12/91/1282471291.db2.gz XWEZAABGDDQWNQ-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588358488 1282471293 /nfs/dbraw/zinc/47/12/93/1282471293.db2.gz XWEZAABGDDQWNQ-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001588358657 1282471387 /nfs/dbraw/zinc/47/13/87/1282471387.db2.gz ZNTNOKNVWUKBFO-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001588358657 1282471393 /nfs/dbraw/zinc/47/13/93/1282471393.db2.gz ZNTNOKNVWUKBFO-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588359282 1282474747 /nfs/dbraw/zinc/47/47/47/1282474747.db2.gz JQVMIMGOHZJXGD-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588359282 1282474754 /nfs/dbraw/zinc/47/47/54/1282474754.db2.gz JQVMIMGOHZJXGD-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588360649 1282477833 /nfs/dbraw/zinc/47/78/33/1282477833.db2.gz UAQDXPQTJDOXRU-UHFFFAOYSA-N -1 1 372.433 0.370 20 30 FCEDMM C#CCOCCC(=O)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588360649 1282477836 /nfs/dbraw/zinc/47/78/36/1282477836.db2.gz UAQDXPQTJDOXRU-UHFFFAOYSA-N -1 1 372.433 0.370 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588361058 1282480160 /nfs/dbraw/zinc/48/01/60/1282480160.db2.gz CPZZCJYNEPJZED-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588361058 1282480164 /nfs/dbraw/zinc/48/01/64/1282480164.db2.gz CPZZCJYNEPJZED-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588361456 1282485530 /nfs/dbraw/zinc/48/55/30/1282485530.db2.gz NIJHOMOMIMYUHX-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588361456 1282485535 /nfs/dbraw/zinc/48/55/35/1282485535.db2.gz NIJHOMOMIMYUHX-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361820 1282485752 /nfs/dbraw/zinc/48/57/52/1282485752.db2.gz SXUAPUWMVKCWEG-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361820 1282485754 /nfs/dbraw/zinc/48/57/54/1282485754.db2.gz SXUAPUWMVKCWEG-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC001588363679 1282488305 /nfs/dbraw/zinc/48/83/05/1282488305.db2.gz UTUHPSKWYUACKK-VIFPVBQESA-N -1 1 360.761 0.554 20 30 FCEDMM C#CCSCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588363116 1282490103 /nfs/dbraw/zinc/49/01/03/1282490103.db2.gz LHUUFTQDEFJGNS-UHFFFAOYSA-N -1 1 373.442 0.747 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364577 1282490592 /nfs/dbraw/zinc/49/05/92/1282490592.db2.gz HZTBMFRKRNNJLT-GFCCVEGCSA-N -1 1 362.397 0.680 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588365212 1282491506 /nfs/dbraw/zinc/49/15/06/1282491506.db2.gz UYPOBCDRKLSAAE-KBPBESRZSA-N -1 1 373.380 0.136 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nnn[n-]2)nc1 ZINC001588368066 1282492975 /nfs/dbraw/zinc/49/29/75/1282492975.db2.gz PSNPLXPQNKIFDF-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nn[n-]n2)nc1 ZINC001588368066 1282492981 /nfs/dbraw/zinc/49/29/81/1282492981.db2.gz PSNPLXPQNKIFDF-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001588370227 1282493372 /nfs/dbraw/zinc/49/33/72/1282493372.db2.gz UHRBURMELCAZAK-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001588370227 1282493375 /nfs/dbraw/zinc/49/33/75/1282493375.db2.gz UHRBURMELCAZAK-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588377384 1282494800 /nfs/dbraw/zinc/49/48/00/1282494800.db2.gz WMTCNOAAHPNFRD-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588377384 1282494802 /nfs/dbraw/zinc/49/48/02/1282494802.db2.gz WMTCNOAAHPNFRD-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588391658 1282497176 /nfs/dbraw/zinc/49/71/76/1282497176.db2.gz NOIZXDPADZYSJP-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588391658 1282497181 /nfs/dbraw/zinc/49/71/81/1282497181.db2.gz NOIZXDPADZYSJP-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001588402894 1282499280 /nfs/dbraw/zinc/49/92/80/1282499280.db2.gz OFAMCPXVFLTXPU-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588402894 1282499285 /nfs/dbraw/zinc/49/92/85/1282499285.db2.gz OFAMCPXVFLTXPU-CHWSQXEVSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588406255 1282500390 /nfs/dbraw/zinc/50/03/90/1282500390.db2.gz SEXFRMMMKGPFQA-VIFPVBQESA-N -1 1 368.375 0.380 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588411730 1282502009 /nfs/dbraw/zinc/50/20/09/1282502009.db2.gz IOMXCYZCXSNOHX-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588411730 1282502019 /nfs/dbraw/zinc/50/20/19/1282502019.db2.gz IOMXCYZCXSNOHX-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588410123 1282503062 /nfs/dbraw/zinc/50/30/62/1282503062.db2.gz MEGDYJMBSRRBTC-STQMWFEESA-N -1 1 356.434 0.941 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588417834 1282504377 /nfs/dbraw/zinc/50/43/77/1282504377.db2.gz HXYXGSXILIEDKI-ZDUSSCGKSA-N -1 1 372.433 0.643 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588417834 1282504386 /nfs/dbraw/zinc/50/43/86/1282504386.db2.gz HXYXGSXILIEDKI-ZDUSSCGKSA-N -1 1 372.433 0.643 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001588417776 1282504483 /nfs/dbraw/zinc/50/44/83/1282504483.db2.gz GBFIIDIDJUACSF-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001588417776 1282504492 /nfs/dbraw/zinc/50/44/92/1282504492.db2.gz GBFIIDIDJUACSF-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588418241 1282504688 /nfs/dbraw/zinc/50/46/88/1282504688.db2.gz WQQXCVYHNTWHAC-LLVKDONJSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588418241 1282504694 /nfs/dbraw/zinc/50/46/94/1282504694.db2.gz WQQXCVYHNTWHAC-LLVKDONJSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588443592 1282508832 /nfs/dbraw/zinc/50/88/32/1282508832.db2.gz VECDTHIRBXFCQI-OBJOEFQTSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588443592 1282508841 /nfs/dbraw/zinc/50/88/41/1282508841.db2.gz VECDTHIRBXFCQI-OBJOEFQTSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001588448705 1282509607 /nfs/dbraw/zinc/50/96/07/1282509607.db2.gz BURIZNCDTZBTCD-UHFFFAOYSA-N -1 1 354.418 0.970 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001588448705 1282509617 /nfs/dbraw/zinc/50/96/17/1282509617.db2.gz BURIZNCDTZBTCD-UHFFFAOYSA-N -1 1 354.418 0.970 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1 ZINC001588456695 1282510367 /nfs/dbraw/zinc/51/03/67/1282510367.db2.gz ZAQNKCNYAGKOBK-AAEUAGOBSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1 ZINC001588456695 1282510377 /nfs/dbraw/zinc/51/03/77/1282510377.db2.gz ZAQNKCNYAGKOBK-AAEUAGOBSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001588462034 1282511673 /nfs/dbraw/zinc/51/16/73/1282511673.db2.gz ARGYNJGTJNFJNN-NHAGDIPZSA-N -1 1 366.429 0.954 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2O)C1 ZINC001588456697 1282512077 /nfs/dbraw/zinc/51/20/77/1282512077.db2.gz ZAQNKCNYAGKOBK-WCQYABFASA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2O)C1 ZINC001588456697 1282512087 /nfs/dbraw/zinc/51/20/87/1282512087.db2.gz ZAQNKCNYAGKOBK-WCQYABFASA-N -1 1 370.417 0.069 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588468717 1282513058 /nfs/dbraw/zinc/51/30/58/1282513058.db2.gz OEACABPLBLZKNC-UHFFFAOYSA-N -1 1 360.422 0.756 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588468717 1282513066 /nfs/dbraw/zinc/51/30/66/1282513066.db2.gz OEACABPLBLZKNC-UHFFFAOYSA-N -1 1 360.422 0.756 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001588475237 1282515467 /nfs/dbraw/zinc/51/54/67/1282515467.db2.gz NKVCNVSNODJXOF-GFCCVEGCSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001588475237 1282515474 /nfs/dbraw/zinc/51/54/74/1282515474.db2.gz NKVCNVSNODJXOF-GFCCVEGCSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588476323 1282517953 /nfs/dbraw/zinc/51/79/53/1282517953.db2.gz VALWVKUQFIDZND-QGZVFWFLSA-N -1 1 372.433 0.056 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588483713 1282518634 /nfs/dbraw/zinc/51/86/34/1282518634.db2.gz PUXOIVSEFSBNNE-KRWDZBQOSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588495655 1282525619 /nfs/dbraw/zinc/52/56/19/1282525619.db2.gz HRCAQWJTFVMGHJ-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588499134 1282528425 /nfs/dbraw/zinc/52/84/25/1282528425.db2.gz GGEPIXZBPLEDHU-KRWDZBQOSA-N -1 1 374.449 0.657 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588499135 1282528452 /nfs/dbraw/zinc/52/84/52/1282528452.db2.gz GGEPIXZBPLEDHU-QGZVFWFLSA-N -1 1 374.449 0.657 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588498895 1282529106 /nfs/dbraw/zinc/52/91/06/1282529106.db2.gz DURRJGYHVSERDG-QGZVFWFLSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588498894 1282529310 /nfs/dbraw/zinc/52/93/10/1282529310.db2.gz DURRJGYHVSERDG-KRWDZBQOSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588499661 1282530611 /nfs/dbraw/zinc/53/06/11/1282530611.db2.gz LXQMNMPPIFCXIP-CLIRUNRCSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588499661 1282530618 /nfs/dbraw/zinc/53/06/18/1282530618.db2.gz LXQMNMPPIFCXIP-CLIRUNRCSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588501116 1282535635 /nfs/dbraw/zinc/53/56/35/1282535635.db2.gz JQWBEUSFOMKUPC-SJKOYZFVSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588501116 1282535642 /nfs/dbraw/zinc/53/56/42/1282535642.db2.gz JQWBEUSFOMKUPC-SJKOYZFVSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588501303 1282537623 /nfs/dbraw/zinc/53/76/23/1282537623.db2.gz MAXRFHRZPOWGJM-DIFFPNOSSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588501303 1282537630 /nfs/dbraw/zinc/53/76/30/1282537630.db2.gz MAXRFHRZPOWGJM-DIFFPNOSSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588501998 1282538237 /nfs/dbraw/zinc/53/82/37/1282538237.db2.gz PURRAZRWVICTQR-SJCJKPOMSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501820 1282538696 /nfs/dbraw/zinc/53/86/96/1282538696.db2.gz ONDFGYHYFWBUQU-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501820 1282538703 /nfs/dbraw/zinc/53/87/03/1282538703.db2.gz ONDFGYHYFWBUQU-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588503365 1282540452 /nfs/dbraw/zinc/54/04/52/1282540452.db2.gz XVBKDOZUMYECLU-PIGZYNQJSA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588503365 1282540466 /nfs/dbraw/zinc/54/04/66/1282540466.db2.gz XVBKDOZUMYECLU-PIGZYNQJSA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588503825 1282543575 /nfs/dbraw/zinc/54/35/75/1282543575.db2.gz GCKRVZOBVOAIDG-ZBEGNZNMSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588503825 1282543583 /nfs/dbraw/zinc/54/35/83/1282543583.db2.gz GCKRVZOBVOAIDG-ZBEGNZNMSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588504548 1282544077 /nfs/dbraw/zinc/54/40/77/1282544077.db2.gz KXZVJCDPOBJGAQ-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588504548 1282544087 /nfs/dbraw/zinc/54/40/87/1282544087.db2.gz KXZVJCDPOBJGAQ-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505384 1282545934 /nfs/dbraw/zinc/54/59/34/1282545934.db2.gz PUPLCBITKQSKGN-PRXAMGSTSA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505384 1282545943 /nfs/dbraw/zinc/54/59/43/1282545943.db2.gz PUPLCBITKQSKGN-PRXAMGSTSA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588505780 1282549270 /nfs/dbraw/zinc/54/92/70/1282549270.db2.gz XGFFHNGQBFPFKK-QGZVFWFLSA-N -1 1 370.417 0.237 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588505780 1282549279 /nfs/dbraw/zinc/54/92/79/1282549279.db2.gz XGFFHNGQBFPFKK-QGZVFWFLSA-N -1 1 370.417 0.237 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588509198 1282550267 /nfs/dbraw/zinc/55/02/67/1282550267.db2.gz UXWYVMHCGLRHGM-PEBVRCNWSA-N -1 1 372.433 0.376 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588509198 1282550273 /nfs/dbraw/zinc/55/02/73/1282550273.db2.gz UXWYVMHCGLRHGM-PEBVRCNWSA-N -1 1 372.433 0.376 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588507461 1282551182 /nfs/dbraw/zinc/55/11/82/1282551182.db2.gz IIIDATDVNKGIPP-XPZRHXQJSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588507461 1282551187 /nfs/dbraw/zinc/55/11/87/1282551187.db2.gz IIIDATDVNKGIPP-XPZRHXQJSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588524262 1282559282 /nfs/dbraw/zinc/55/92/82/1282559282.db2.gz PCDSOYSSQNYXKI-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588524262 1282559293 /nfs/dbraw/zinc/55/92/93/1282559293.db2.gz PCDSOYSSQNYXKI-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588524261 1282559459 /nfs/dbraw/zinc/55/94/59/1282559459.db2.gz PCDSOYSSQNYXKI-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588524261 1282559462 /nfs/dbraw/zinc/55/94/62/1282559462.db2.gz PCDSOYSSQNYXKI-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001588532169 1282560273 /nfs/dbraw/zinc/56/02/73/1282560273.db2.gz OMDFGZYFHIIQMI-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001588532169 1282560283 /nfs/dbraw/zinc/56/02/83/1282560283.db2.gz OMDFGZYFHIIQMI-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC[C@@H](CO)NC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001588546076 1282563123 /nfs/dbraw/zinc/56/31/23/1282563123.db2.gz WOHWHSLQTJHXIH-LBPRGKRZSA-N -1 1 361.406 0.433 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588538764 1282563390 /nfs/dbraw/zinc/56/33/90/1282563390.db2.gz XIZRATJCXNSZAN-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588538764 1282563399 /nfs/dbraw/zinc/56/33/99/1282563399.db2.gz XIZRATJCXNSZAN-VXGBXAGGSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588533409 1282564866 /nfs/dbraw/zinc/56/48/66/1282564866.db2.gz XIXIKBAAXZHOFX-NSHDSACASA-N -1 1 360.422 0.456 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588533409 1282564875 /nfs/dbraw/zinc/56/48/75/1282564875.db2.gz XIXIKBAAXZHOFX-NSHDSACASA-N -1 1 360.422 0.456 20 30 FCEDMM C=CCCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588572034 1282568864 /nfs/dbraw/zinc/56/88/64/1282568864.db2.gz 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CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001588736627 1282678503 /nfs/dbraw/zinc/67/85/03/1282678503.db2.gz BYTIOSOYTKNJHO-STQMWFEESA-N -1 1 352.402 0.640 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588746003 1282685985 /nfs/dbraw/zinc/68/59/85/1282685985.db2.gz KCNJIRKWOINEMO-ATCWAGBWSA-N -1 1 352.402 0.401 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588746003 1282685999 /nfs/dbraw/zinc/68/59/99/1282685999.db2.gz KCNJIRKWOINEMO-ATCWAGBWSA-N -1 1 352.402 0.401 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588926496 1282727361 /nfs/dbraw/zinc/72/73/61/1282727361.db2.gz ARKKSZILOYETTJ-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588926496 1282727369 /nfs/dbraw/zinc/72/73/69/1282727369.db2.gz ARKKSZILOYETTJ-LLVKDONJSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2n1C)n1cnc(-c2nn[n-]n2)n1 ZINC001588936578 1282732903 /nfs/dbraw/zinc/73/29/03/1282732903.db2.gz KTADHMSNAFQTOM-NXEZZACHSA-N -1 1 362.357 0.782 20 30 FCEDMM C[C@@H](C(=O)OCC(=O)Cc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589026870 1282776177 /nfs/dbraw/zinc/77/61/77/1282776177.db2.gz LUJIUVDFWFYUOC-JTQLQIEISA-N -1 1 366.341 0.246 20 30 FCEDMM CC(C)C#CC(=O)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001589380042 1282853415 /nfs/dbraw/zinc/85/34/15/1282853415.db2.gz KBIGZDSNDYPPLY-UHFFFAOYSA-N -1 1 356.434 0.989 20 30 FCEDMM CC(C)C#CC(=O)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001589380042 1282853423 /nfs/dbraw/zinc/85/34/23/1282853423.db2.gz KBIGZDSNDYPPLY-UHFFFAOYSA-N -1 1 356.434 0.989 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001589380275 1282858263 /nfs/dbraw/zinc/85/82/63/1282858263.db2.gz RHJCQKHZSMOLJW-LBPRGKRZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001589380275 1282858271 /nfs/dbraw/zinc/85/82/71/1282858271.db2.gz RHJCQKHZSMOLJW-LBPRGKRZSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001589386716 1282862566 /nfs/dbraw/zinc/86/25/66/1282862566.db2.gz BGUFIGMWQWKYEM-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001589386716 1282862572 /nfs/dbraw/zinc/86/25/72/1282862572.db2.gz BGUFIGMWQWKYEM-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001589387255 1282862616 /nfs/dbraw/zinc/86/26/16/1282862616.db2.gz IQJIGPFPBPASOF-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)C#CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001589387255 1282862625 /nfs/dbraw/zinc/86/26/25/1282862625.db2.gz IQJIGPFPBPASOF-UHFFFAOYSA-N -1 1 370.417 0.393 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001589389930 1282870654 /nfs/dbraw/zinc/87/06/54/1282870654.db2.gz SNSMWVUCQXNHBM-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001589389930 1282870666 /nfs/dbraw/zinc/87/06/66/1282870666.db2.gz SNSMWVUCQXNHBM-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM C[C@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CSCC#N ZINC001589813453 1283041432 /nfs/dbraw/zinc/04/14/32/1283041432.db2.gz HRYLINSLUDBTJB-SNVBAGLBSA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CSCC#N ZINC001589813453 1283041444 /nfs/dbraw/zinc/04/14/44/1283041444.db2.gz HRYLINSLUDBTJB-SNVBAGLBSA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001589817970 1283054159 /nfs/dbraw/zinc/05/41/59/1283054159.db2.gz KFCJCZWRAYQLND-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001589817970 1283054168 /nfs/dbraw/zinc/05/41/68/1283054168.db2.gz KFCJCZWRAYQLND-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589878591 1283106890 /nfs/dbraw/zinc/10/68/90/1283106890.db2.gz CVNBSGCOJMVKJN-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589878591 1283106895 /nfs/dbraw/zinc/10/68/95/1283106895.db2.gz CVNBSGCOJMVKJN-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@@H](Cc1c(F)cccc1F)NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001589890043 1283111240 /nfs/dbraw/zinc/11/12/40/1283111240.db2.gz MKPNTDKGTHDJRT-VIFPVBQESA-N -1 1 372.339 0.960 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987285 1283156808 /nfs/dbraw/zinc/15/68/08/1283156808.db2.gz HNUUJQINIUBWFB-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001589987285 1283156812 /nfs/dbraw/zinc/15/68/12/1283156812.db2.gz HNUUJQINIUBWFB-MNOVXSKESA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987143 1283157590 /nfs/dbraw/zinc/15/75/90/1283157590.db2.gz GKZALXAQXCKEGE-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987143 1283157592 /nfs/dbraw/zinc/15/75/92/1283157592.db2.gz GKZALXAQXCKEGE-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC(c2ccccc2)=NO1 ZINC001590071139 1283201097 /nfs/dbraw/zinc/20/10/97/1283201097.db2.gz SUDUEWFERJAOOK-MRXNPFEDSA-N -1 1 363.341 0.983 20 30 FCEDMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CSCC#N)C1 ZINC001590134565 1283234386 /nfs/dbraw/zinc/23/43/86/1283234386.db2.gz FTYBHWYPIIQEJV-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CSCC#N)C1 ZINC001590134565 1283234391 /nfs/dbraw/zinc/23/43/91/1283234391.db2.gz FTYBHWYPIIQEJV-HNNXBMFYSA-N -1 1 373.446 0.564 20 30 FCEDMM CCOC(=O)c1ccc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001604389122 1287628281 /nfs/dbraw/zinc/62/82/81/1287628281.db2.gz RKDLASPRRQMHJN-UHFFFAOYSA-N -1 1 351.326 0.994 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590169855 1283263404 /nfs/dbraw/zinc/26/34/04/1283263404.db2.gz FETKWTJPJXKWFR-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590169855 1283263413 /nfs/dbraw/zinc/26/34/13/1283263413.db2.gz FETKWTJPJXKWFR-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590170746 1283268118 /nfs/dbraw/zinc/26/81/18/1283268118.db2.gz KZOQLASACZRJJQ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590170746 1283268123 /nfs/dbraw/zinc/26/81/23/1283268123.db2.gz KZOQLASACZRJJQ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174268 1283276732 /nfs/dbraw/zinc/27/67/32/1283276732.db2.gz BXOMFSKPADSVGP-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174268 1283276743 /nfs/dbraw/zinc/27/67/43/1283276743.db2.gz BXOMFSKPADSVGP-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CSCC#N ZINC001590207836 1283329039 /nfs/dbraw/zinc/32/90/39/1283329039.db2.gz AOLJQHQFGQWOHG-MNOVXSKESA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CSCC#N ZINC001590207836 1283329050 /nfs/dbraw/zinc/32/90/50/1283329050.db2.gz AOLJQHQFGQWOHG-MNOVXSKESA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590281900 1283409317 /nfs/dbraw/zinc/40/93/17/1283409317.db2.gz HFUCUXKPKWQUMJ-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590281900 1283409325 /nfs/dbraw/zinc/40/93/25/1283409325.db2.gz HFUCUXKPKWQUMJ-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590283820 1283411090 /nfs/dbraw/zinc/41/10/90/1283411090.db2.gz PKEBBKNIIJUEPH-WCQYABFASA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590283820 1283411093 /nfs/dbraw/zinc/41/10/93/1283411093.db2.gz PKEBBKNIIJUEPH-WCQYABFASA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(c2cncc(C#N)n2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590317086 1283460897 /nfs/dbraw/zinc/46/08/97/1283460897.db2.gz TZKZBTHILLXWSN-NSHDSACASA-N -1 1 363.389 0.281 20 30 FCEDMM C[C@H]1CN(c2cncc(C#N)n2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590317086 1283460902 /nfs/dbraw/zinc/46/09/02/1283460902.db2.gz TZKZBTHILLXWSN-NSHDSACASA-N -1 1 363.389 0.281 20 30 FCEDMM CCCCCCCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001590592527 1283627380 /nfs/dbraw/zinc/62/73/80/1283627380.db2.gz WYDCQFYUDYIPDP-UHFFFAOYSA-N -1 1 363.422 0.996 20 30 FCEDMM CCCN(CCNC(=O)CSCC#N)c1ccnc(-c2nn[n-]n2)n1 ZINC001590626947 1283666694 /nfs/dbraw/zinc/66/66/94/1283666694.db2.gz JQZRYFKRWHTTTA-UHFFFAOYSA-N -1 1 361.435 0.246 20 30 FCEDMM CCc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001604557590 1287660868 /nfs/dbraw/zinc/66/08/68/1287660868.db2.gz OUJFONKAGITQIM-MNOVXSKESA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001604557590 1287660869 /nfs/dbraw/zinc/66/08/69/1287660869.db2.gz OUJFONKAGITQIM-MNOVXSKESA-N -1 1 354.418 0.938 20 30 FCEDMM CCOC(=O)[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1 ZINC001590748289 1283802116 /nfs/dbraw/zinc/80/21/16/1283802116.db2.gz AZJHCSORWQPLJY-NSHDSACASA-N -1 1 366.341 0.747 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001590903770 1283954517 /nfs/dbraw/zinc/95/45/17/1283954517.db2.gz OJNGYKNDRZLDLW-LLVKDONJSA-N -1 1 354.418 0.573 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H](C)NC(=O)C#CC2CC2)n1 ZINC001590903770 1283954523 /nfs/dbraw/zinc/95/45/23/1283954523.db2.gz OJNGYKNDRZLDLW-LLVKDONJSA-N -1 1 354.418 0.573 20 30 FCEDMM CN(C)S(=O)(=O)c1ccc(Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC001591022237 1284079953 /nfs/dbraw/zinc/07/99/53/1284079953.db2.gz WWSAWHXPMYTCCO-UHFFFAOYSA-N -1 1 358.387 0.233 20 30 FCEDMM CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591038062 1284096018 /nfs/dbraw/zinc/09/60/18/1284096018.db2.gz JAIAXPGVFYXASK-ZDUSSCGKSA-N -1 1 352.351 0.309 20 30 FCEDMM CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001591038092 1284098378 /nfs/dbraw/zinc/09/83/78/1284098378.db2.gz KWFSOBXYXZIKQR-ZDUSSCGKSA-N -1 1 368.806 0.823 20 30 FCEDMM CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001591038092 1284098385 /nfs/dbraw/zinc/09/83/85/1284098385.db2.gz KWFSOBXYXZIKQR-ZDUSSCGKSA-N -1 1 368.806 0.823 20 30 FCEDMM CN(CCC#N)C[C@H](O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001591061940 1284123194 /nfs/dbraw/zinc/12/31/94/1284123194.db2.gz KZFWZKQIWQUCDL-LBPRGKRZSA-N -1 1 353.386 0.388 20 30 FCEDMM CN(CCNC(=O)CC#Cc1ccccc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001591097184 1284165387 /nfs/dbraw/zinc/16/53/87/1284165387.db2.gz SZHLIONXXNSNTO-UHFFFAOYSA-N -1 1 362.397 0.651 20 30 FCEDMM CN(CCOCCNC(=O)C#CC(C)(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591110127 1284184646 /nfs/dbraw/zinc/18/46/46/1284184646.db2.gz OOOONTBLANYZNC-UHFFFAOYSA-N -1 1 372.433 0.275 20 30 FCEDMM CN(CCOCCNC(=O)C#CC(C)(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591110127 1284184652 /nfs/dbraw/zinc/18/46/52/1284184652.db2.gz OOOONTBLANYZNC-UHFFFAOYSA-N -1 1 372.433 0.275 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001591157975 1284230191 /nfs/dbraw/zinc/23/01/91/1284230191.db2.gz IIKMWOUIOZMLBA-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM COC(=O)C1(C#N)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001591241991 1284390172 /nfs/dbraw/zinc/39/01/72/1284390172.db2.gz HGQABWHJBDSOLX-UHFFFAOYSA-N -1 1 358.318 0.453 20 30 FCEDMM COC(=O)C1(C#N)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001591241991 1284390180 /nfs/dbraw/zinc/39/01/80/1284390180.db2.gz HGQABWHJBDSOLX-UHFFFAOYSA-N -1 1 358.318 0.453 20 30 FCEDMM COc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(OC)c1OC ZINC001591574413 1284749945 /nfs/dbraw/zinc/74/99/45/1284749945.db2.gz AOUTURUOEJPODK-UHFFFAOYSA-N -1 1 370.329 0.740 20 30 FCEDMM COc1ccc(CN(C)C(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001591586020 1284751549 /nfs/dbraw/zinc/75/15/49/1284751549.db2.gz HWLNXYIABXGOED-UHFFFAOYSA-N -1 1 366.385 0.911 20 30 FCEDMM CS(C)(=O)=NCC1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001591685406 1284828402 /nfs/dbraw/zinc/82/84/02/1284828402.db2.gz SJUQTHOJXMBJKT-UHFFFAOYSA-N -1 1 361.435 0.472 20 30 FCEDMM CS(C)(=O)=NCC1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001591685406 1284828423 /nfs/dbraw/zinc/82/84/23/1284828423.db2.gz SJUQTHOJXMBJKT-UHFFFAOYSA-N -1 1 361.435 0.472 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001591755711 1284886622 /nfs/dbraw/zinc/88/66/22/1284886622.db2.gz SWAHQGTUPHWRIV-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001591755711 1284886628 /nfs/dbraw/zinc/88/66/28/1284886628.db2.gz SWAHQGTUPHWRIV-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM Cc1c(C#N)c(=O)n(Cc2ccc(-c3nn[n-]n3)s2)c(=O)n1C1CC1 ZINC001591799283 1284911733 /nfs/dbraw/zinc/91/17/33/1284911733.db2.gz GNTRTMMKRZZWOA-UHFFFAOYSA-N -1 1 355.383 0.815 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001591886412 1284975774 /nfs/dbraw/zinc/97/57/74/1284975774.db2.gz FWGOQRFWQVUHTO-LBPRGKRZSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001591886412 1284975780 /nfs/dbraw/zinc/97/57/80/1284975780.db2.gz FWGOQRFWQVUHTO-LBPRGKRZSA-N -1 1 354.418 0.710 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC/C=C\CNC(=O)CSCC#N)n1 ZINC001591897271 1284985317 /nfs/dbraw/zinc/98/53/17/1284985317.db2.gz ZLJHKAPAGQFMFJ-IHWYPQMZSA-N -1 1 359.419 0.306 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC/C=C\CNC(=O)CSCC#N)n1 ZINC001591897271 1284985324 /nfs/dbraw/zinc/98/53/24/1284985324.db2.gz ZLJHKAPAGQFMFJ-IHWYPQMZSA-N -1 1 359.419 0.306 20 30 FCEDMM Cc1cc(C)n(N=C[C@@H]2CCN(c3cnn(C)c3)C2)c(=O)c1-c1nn[n-]n1 ZINC001591956063 1285023103 /nfs/dbraw/zinc/02/31/03/1285023103.db2.gz VRDGHBSFNQWRLC-ZDUSSCGKSA-N -1 1 367.417 0.739 20 30 FCEDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001592069168 1285107032 /nfs/dbraw/zinc/10/70/32/1285107032.db2.gz ZTXCMVSBGMRWSU-UHFFFAOYSA-N -1 1 353.302 0.790 20 30 FCEDMM Cc1ccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1F ZINC001592127463 1285157012 /nfs/dbraw/zinc/15/70/12/1285157012.db2.gz JIYJUSLQRCWZIH-UHFFFAOYSA-N -1 1 367.348 0.818 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC001592335660 1285244836 /nfs/dbraw/zinc/24/48/36/1285244836.db2.gz HEIVFEYUPKYAMF-UHFFFAOYSA-N -1 1 372.414 0.542 20 30 FCEDMM Cc1nsc(N2CCN(c3ccc(C#N)c(N)n3)CC2)c1-c1nn[n-]n1 ZINC001592475754 1285415257 /nfs/dbraw/zinc/41/52/57/1285415257.db2.gz HQOTXPVXOFFVAU-UHFFFAOYSA-N -1 1 368.430 0.807 20 30 FCEDMM N#CCCN1CCN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)CC1 ZINC001592677466 1285572138 /nfs/dbraw/zinc/57/21/38/1285572138.db2.gz BHFCJJJFUDLXSL-UHFFFAOYSA-N -1 1 368.445 0.396 20 30 FCEDMM N#CCSCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592678998 1285574951 /nfs/dbraw/zinc/57/49/51/1285574951.db2.gz CBGDDHBYBBMXNI-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592678998 1285574954 /nfs/dbraw/zinc/57/49/54/1285574954.db2.gz CBGDDHBYBBMXNI-LLVKDONJSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592679020 1285575333 /nfs/dbraw/zinc/57/53/33/1285575333.db2.gz CSFGMSASEOZPQZ-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592679020 1285575342 /nfs/dbraw/zinc/57/53/42/1285575342.db2.gz CSFGMSASEOZPQZ-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592679472 1285576210 /nfs/dbraw/zinc/57/62/10/1285576210.db2.gz RJRVEHZORKSUBA-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592679472 1285576216 /nfs/dbraw/zinc/57/62/16/1285576216.db2.gz RJRVEHZORKSUBA-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[nH]n1 ZINC001592683217 1285581494 /nfs/dbraw/zinc/58/14/94/1285581494.db2.gz OAUALWOZMFWESM-VIFPVBQESA-N -1 1 369.389 0.581 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(N3CCOCC3)cc2)nc1-c1nn[nH]n1 ZINC001592681506 1285581968 /nfs/dbraw/zinc/58/19/68/1285581968.db2.gz FCXIASVUOBYEAJ-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)nc1-c1nn[nH]n1 ZINC001592682839 1285582209 /nfs/dbraw/zinc/58/22/09/1285582209.db2.gz FWOLUOMWHDJPQO-QMMMGPOBSA-N -1 1 367.304 0.665 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001592686381 1285582495 /nfs/dbraw/zinc/58/24/95/1285582495.db2.gz KBKAAERXRPGOPW-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001592686381 1285582498 /nfs/dbraw/zinc/58/24/98/1285582498.db2.gz KBKAAERXRPGOPW-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc2ncc(Br)cn2n1 ZINC001592684343 1285583293 /nfs/dbraw/zinc/58/32/93/1285583293.db2.gz METWGAFRXGUQFR-UHFFFAOYSA-N -1 1 372.150 0.183 20 30 FCEDMM N#Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)nc2n1CCOC2 ZINC001592687377 1285583823 /nfs/dbraw/zinc/58/38/23/1285583823.db2.gz ZDPRWEDZZMHAMP-UHFFFAOYSA-N -1 1 371.748 0.766 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c(F)c1 ZINC001592696614 1285587446 /nfs/dbraw/zinc/58/74/46/1285587446.db2.gz MVZASGZIQSQWGT-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c(F)c1 ZINC001592696614 1285587458 /nfs/dbraw/zinc/58/74/58/1285587458.db2.gz MVZASGZIQSQWGT-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1cccnc1NCCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592703231 1285590700 /nfs/dbraw/zinc/59/07/00/1285590700.db2.gz XORXFEXUZRLVRF-UHFFFAOYSA-N -1 1 370.402 0.501 20 30 FCEDMM N#Cc1cccnc1NCCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592703231 1285590702 /nfs/dbraw/zinc/59/07/02/1285590702.db2.gz XORXFEXUZRLVRF-UHFFFAOYSA-N -1 1 370.402 0.501 20 30 FCEDMM N#Cc1cnn2c1[nH]c(COC(=O)c1cccc(-c3nnn[n-]3)n1)cc2=O ZINC001592703978 1285591197 /nfs/dbraw/zinc/59/11/97/1285591197.db2.gz LREACXGHIGILKV-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1cnn2c1[nH]c(COC(=O)c1cccc(-c3nn[n-]n3)n1)cc2=O ZINC001592703978 1285591204 /nfs/dbraw/zinc/59/12/04/1285591204.db2.gz LREACXGHIGILKV-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1nc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)cnc1-c1nnn[n-]1 ZINC001592707809 1285593108 /nfs/dbraw/zinc/59/31/08/1285593108.db2.gz CZPVPUAWJZEHSX-LLVKDONJSA-N -1 1 351.305 0.495 20 30 FCEDMM N#Cc1nc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)cnc1-c1nn[n-]n1 ZINC001592707809 1285593117 /nfs/dbraw/zinc/59/31/17/1285593117.db2.gz CZPVPUAWJZEHSX-LLVKDONJSA-N -1 1 351.305 0.495 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)C(F)(F)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592707780 1285593800 /nfs/dbraw/zinc/59/38/00/1285593800.db2.gz BJENZOKETQDXNJ-RXMQYKEDSA-N -1 1 350.211 0.499 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)C(F)(F)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592707780 1285593803 /nfs/dbraw/zinc/59/38/03/1285593803.db2.gz BJENZOKETQDXNJ-RXMQYKEDSA-N -1 1 350.211 0.499 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592709978 1285596327 /nfs/dbraw/zinc/59/63/27/1285596327.db2.gz QMAWVRUIVAKHHJ-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592709978 1285596333 /nfs/dbraw/zinc/59/63/33/1285596333.db2.gz QMAWVRUIVAKHHJ-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM O=C(C#Cc1ccccc1)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001592768044 1285690269 /nfs/dbraw/zinc/69/02/69/1285690269.db2.gz XTJNNKXTXOHKSG-UHFFFAOYSA-N -1 1 364.369 0.417 20 30 FCEDMM O=C(C#Cc1ccccc1)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001592768044 1285690278 /nfs/dbraw/zinc/69/02/78/1285690278.db2.gz XTJNNKXTXOHKSG-UHFFFAOYSA-N -1 1 364.369 0.417 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001592767335 1285691054 /nfs/dbraw/zinc/69/10/54/1285691054.db2.gz AXUKLOPGGFSYDD-ZDUSSCGKSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001592767335 1285691057 /nfs/dbraw/zinc/69/10/57/1285691057.db2.gz AXUKLOPGGFSYDD-ZDUSSCGKSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768926 1285693960 /nfs/dbraw/zinc/69/39/60/1285693960.db2.gz REAHUMFZCTUQEQ-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768926 1285693972 /nfs/dbraw/zinc/69/39/72/1285693972.db2.gz REAHUMFZCTUQEQ-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(CC#Cc1ccccc1)NC/C=C/CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592803458 1285723243 /nfs/dbraw/zinc/72/32/43/1285723243.db2.gz WHWSSGXLJHJEHD-SNAWJCMRSA-N -1 1 374.408 0.605 20 30 FCEDMM O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)C1 ZINC001593274937 1286057828 /nfs/dbraw/zinc/05/78/28/1286057828.db2.gz BVDZLLRUFQFZSI-SECBINFHSA-N -1 1 367.412 0.417 20 30 FCEDMM Cc1cc(C(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc(C)c1C#N ZINC001600079298 1286437256 /nfs/dbraw/zinc/43/72/56/1286437256.db2.gz IZTVAXCJFBKXPC-UHFFFAOYSA-N -1 1 358.442 0.949 20 30 FCEDMM C#C[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001602697689 1287060909 /nfs/dbraw/zinc/06/09/09/1287060909.db2.gz YUSRFCSBOWNEAJ-VIFPVBQESA-N -1 1 353.791 0.543 20 30 FCEDMM C#C[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001602697689 1287060918 /nfs/dbraw/zinc/06/09/18/1287060918.db2.gz YUSRFCSBOWNEAJ-VIFPVBQESA-N -1 1 353.791 0.543 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602703249 1287065136 /nfs/dbraw/zinc/06/51/36/1287065136.db2.gz MBEZGNLKBAMBQB-CHWSQXEVSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602703664 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/nfs/dbraw/zinc/53/65/66/598536566.db2.gz PJYXKVJBHJBGBJ-CQSZACIVSA-N -1 1 365.401 0.877 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C#N)C1CC1 ZINC000737488143 598536568 /nfs/dbraw/zinc/53/65/68/598536568.db2.gz PJYXKVJBHJBGBJ-CQSZACIVSA-N -1 1 365.401 0.877 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H](C)C#N ZINC000737486171 598626411 /nfs/dbraw/zinc/62/64/11/598626411.db2.gz BOBPBZQFGRZNTQ-SECBINFHSA-N -1 1 353.390 0.735 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H](C)C#N ZINC000737486171 598626413 /nfs/dbraw/zinc/62/64/13/598626413.db2.gz BOBPBZQFGRZNTQ-SECBINFHSA-N -1 1 353.390 0.735 20 30 FCEDMM CCC[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)[O-] ZINC000736965172 600156627 /nfs/dbraw/zinc/15/66/27/600156627.db2.gz UDCMNSHKTMYMCT-KRWDZBQOSA-N -1 1 363.418 0.736 20 30 FCEDMM Cc1nc(C#N)c(N2CCN(C(=O)CN[C@](C)(C(=O)[O-])C3CC3)CC2)o1 ZINC000832994048 601040873 /nfs/dbraw/zinc/04/08/73/601040873.db2.gz GFYSQJYNYSBUKG-KRWDZBQOSA-N -1 1 361.402 0.346 20 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/nfs/dbraw/zinc/53/02/55/606530255.db2.gz BGNPPKYXEVFATG-VIFPVBQESA-N -1 1 351.413 0.191 20 30 FCEDMM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000819697350 606530257 /nfs/dbraw/zinc/53/02/57/606530257.db2.gz BGNPPKYXEVFATG-VIFPVBQESA-N -1 1 351.413 0.191 20 30 FCEDMM N#CCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822810933 606541016 /nfs/dbraw/zinc/54/10/16/606541016.db2.gz OVNBCASLLUVPIM-UHFFFAOYSA-N -1 1 361.431 0.616 20 30 FCEDMM N#CCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822810933 606541018 /nfs/dbraw/zinc/54/10/18/606541018.db2.gz OVNBCASLLUVPIM-UHFFFAOYSA-N -1 1 361.431 0.616 20 30 FCEDMM C[C@@H]1CCN(c2cc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)ccn2)C1 ZINC000820727190 606583983 /nfs/dbraw/zinc/58/39/83/606583983.db2.gz IMRDBBCDRWEZQP-SECBINFHSA-N -1 1 364.373 0.955 20 30 FCEDMM C#CCN(CC#CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000819697443 606733291 /nfs/dbraw/zinc/73/32/91/606733291.db2.gz FRQAJBJTIDHPFR-UHFFFAOYSA-N -1 1 360.355 0.422 20 30 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C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575835605 1272501037 /nfs/dbraw/zinc/50/10/37/1272501037.db2.gz ICICYNZRGZEVNC-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068721 1272826764 /nfs/dbraw/zinc/82/67/64/1272826764.db2.gz KLRHMXBVRVFLBX-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068721 1272826777 /nfs/dbraw/zinc/82/67/77/1272826777.db2.gz KLRHMXBVRVFLBX-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC001580718543 1278790409 /nfs/dbraw/zinc/79/04/09/1278790409.db2.gz SDTBEPYQAGFDBL-BXKDBHETSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC001580718543 1278790417 /nfs/dbraw/zinc/79/04/17/1278790417.db2.gz SDTBEPYQAGFDBL-BXKDBHETSA-N -1 1 355.406 0.774 20 30 FCEDMM CCC(CC)CN(CCC#N)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001576757742 1273630765 /nfs/dbraw/zinc/63/07/65/1273630765.db2.gz IFABKMXEOMLNOH-UHFFFAOYSA-N -1 1 374.405 0.307 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577522078 1274467786 /nfs/dbraw/zinc/46/77/86/1274467786.db2.gz BDWRWESKZKUINC-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577522078 1274467797 /nfs/dbraw/zinc/46/77/97/1274467797.db2.gz BDWRWESKZKUINC-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577522730 1274468850 /nfs/dbraw/zinc/46/88/50/1274468850.db2.gz HYQNAQDEWNDFCN-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577522730 1274468856 /nfs/dbraw/zinc/46/88/56/1274468856.db2.gz HYQNAQDEWNDFCN-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001577523020 1274469752 /nfs/dbraw/zinc/46/97/52/1274469752.db2.gz KLOYWZMNKBMUMT-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001577628800 1274611888 /nfs/dbraw/zinc/61/18/88/1274611888.db2.gz AIJITEMXDYFIPF-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCOC(=O)[C@]1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCOC1 ZINC001578244143 1275546383 /nfs/dbraw/zinc/54/63/83/1275546383.db2.gz NTCLVZPTTKHVQS-HNNXBMFYSA-N -1 1 358.362 0.300 20 30 FCEDMM CCOC(=O)[C@]1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCCOC1 ZINC001578244143 1275546386 /nfs/dbraw/zinc/54/63/86/1275546386.db2.gz NTCLVZPTTKHVQS-HNNXBMFYSA-N -1 1 358.362 0.300 20 30 FCEDMM CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001578417715 1275786191 /nfs/dbraw/zinc/78/61/91/1275786191.db2.gz VPAUJOAZGZUIPR-UHFFFAOYSA-N -1 1 372.370 0.507 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578566521 1275997871 /nfs/dbraw/zinc/99/78/71/1275997871.db2.gz SXKRICRJGHBJME-QWRGUYRKSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578566521 1275997877 /nfs/dbraw/zinc/99/78/77/1275997877.db2.gz SXKRICRJGHBJME-QWRGUYRKSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578566522 1275998234 /nfs/dbraw/zinc/99/82/34/1275998234.db2.gz SXKRICRJGHBJME-WDEREUQCSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578566522 1275998236 /nfs/dbraw/zinc/99/82/36/1275998236.db2.gz SXKRICRJGHBJME-WDEREUQCSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001578583808 1276016576 /nfs/dbraw/zinc/01/65/76/1276016576.db2.gz HVNTUQVBYOQXFB-MNOVXSKESA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)[C@H](C)C#N)C2)n1 ZINC001578583808 1276016581 /nfs/dbraw/zinc/01/65/81/1276016581.db2.gz HVNTUQVBYOQXFB-MNOVXSKESA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(NCC2CC(NC(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578653575 1276104495 /nfs/dbraw/zinc/10/44/95/1276104495.db2.gz VMKGPMCXZBCIOO-KPPDAEKUSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NCC2CC(NC(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578653575 1276104501 /nfs/dbraw/zinc/10/45/01/1276104501.db2.gz VMKGPMCXZBCIOO-KPPDAEKUSA-N -1 1 355.406 0.685 20 30 FCEDMM CN(C(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1cccc(C#N)c1 ZINC001578875805 1276401871 /nfs/dbraw/zinc/40/18/71/1276401871.db2.gz BDHORYLTKJPNOV-UHFFFAOYSA-N -1 1 366.341 0.054 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578911873 1276451303 /nfs/dbraw/zinc/45/13/03/1276451303.db2.gz NDLYBSSTRHXFGK-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578911873 1276451306 /nfs/dbraw/zinc/45/13/06/1276451306.db2.gz NDLYBSSTRHXFGK-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CC(=O)NCc1cccs1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579009821 1276582080 /nfs/dbraw/zinc/58/20/80/1276582080.db2.gz RYIIWXPDHYENRD-UHFFFAOYSA-N -1 1 355.387 0.342 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579152180 1276888360 /nfs/dbraw/zinc/88/83/60/1276888360.db2.gz FMGAONWICUKBFK-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579152180 1276888371 /nfs/dbraw/zinc/88/83/71/1276888371.db2.gz FMGAONWICUKBFK-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579153581 1276896140 /nfs/dbraw/zinc/89/61/40/1276896140.db2.gz RDXRXPHYBOKEIA-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579153581 1276896147 /nfs/dbraw/zinc/89/61/47/1276896147.db2.gz RDXRXPHYBOKEIA-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579283935 1277103869 /nfs/dbraw/zinc/10/38/69/1277103869.db2.gz MXIFPHCTLAJNCD-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579283935 1277103871 /nfs/dbraw/zinc/10/38/71/1277103871.db2.gz MXIFPHCTLAJNCD-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001579285217 1277105971 /nfs/dbraw/zinc/10/59/71/1277105971.db2.gz SJRMMOKQLXINSX-CYBMUJFWSA-N -1 1 361.369 0.770 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001579285217 1277105972 /nfs/dbraw/zinc/10/59/72/1277105972.db2.gz SJRMMOKQLXINSX-CYBMUJFWSA-N -1 1 361.369 0.770 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579289417 1277114145 /nfs/dbraw/zinc/11/41/45/1277114145.db2.gz GXKGQOMMBFJQRJ-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579289417 1277114148 /nfs/dbraw/zinc/11/41/48/1277114148.db2.gz GXKGQOMMBFJQRJ-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)[C@@]1(C(F)(F)F)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001579438738 1277313849 /nfs/dbraw/zinc/31/38/49/1277313849.db2.gz OZZMRIPYTCSNGZ-GFCCVEGCSA-N -1 1 368.279 0.460 20 30 FCEDMM COC(=O)[C@@]1(C(F)(F)F)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001579438738 1277313859 /nfs/dbraw/zinc/31/38/59/1277313859.db2.gz OZZMRIPYTCSNGZ-GFCCVEGCSA-N -1 1 368.279 0.460 20 30 FCEDMM COC(=O)CN(CCc1ccccc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579449150 1277340433 /nfs/dbraw/zinc/34/04/33/1277340433.db2.gz LLUBVLXYUMOSMR-UHFFFAOYSA-N -1 1 364.369 0.750 20 30 FCEDMM COC(=O)N1CCC([C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001579453298 1277344614 /nfs/dbraw/zinc/34/46/14/1277344614.db2.gz QYFPRQMDZPDHJP-VIFPVBQESA-N -1 1 357.378 0.807 20 30 FCEDMM COC(=O)c1cccc2c1CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001579487990 1277397165 /nfs/dbraw/zinc/39/71/65/1277397165.db2.gz SRHFLNVFOYEKSW-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COC(=O)c1cccc2c1CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001579487990 1277397173 /nfs/dbraw/zinc/39/71/73/1277397173.db2.gz SRHFLNVFOYEKSW-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(CCn2c(N)nc(-c3nn[n-]n3)c2C#N)C1 ZINC001603087182 1287307927 /nfs/dbraw/zinc/30/79/27/1287307927.db2.gz MVYLMGFKFRWTSN-UHFFFAOYSA-N -1 1 359.394 0.774 20 30 FCEDMM COCCN(CCNC(=O)[C@@H](C)C#N)c1snc(C)c1-c1nn[n-]n1 ZINC001579792064 1277912680 /nfs/dbraw/zinc/91/26/80/1277912680.db2.gz FKMQZYCWUFJDKU-VIFPVBQESA-N -1 1 364.435 0.360 20 30 FCEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc(NC2CC2)n1 ZINC001580887049 1279096067 /nfs/dbraw/zinc/09/60/67/1279096067.db2.gz GAGSDLICDGVKBV-UHFFFAOYSA-N -1 1 350.346 0.992 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001603190083 1287326405 /nfs/dbraw/zinc/32/64/05/1287326405.db2.gz VNJCXJKBVAAKHW-KGLIPLIRSA-N -1 1 368.445 0.635 20 30 FCEDMM Cc1cnc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)s1 ZINC001581321010 1279685166 /nfs/dbraw/zinc/68/51/66/1279685166.db2.gz PEUHOWKGSGFBJK-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N[C@@H](CO)CNC(=O)c2c[nH]c(C#N)c2)c1-c1nn[n-]n1 ZINC001581696775 1280399244 /nfs/dbraw/zinc/39/92/44/1280399244.db2.gz TZMGYEUGQMZXFP-SNVBAGLBSA-N -1 1 373.402 0.034 20 30 FCEDMM Cn1c(=O)[nH]c(NCc2cc(F)c(C#N)c(F)c2)c(-c2nn[n-]n2)c1=O ZINC001581747836 1280450949 /nfs/dbraw/zinc/45/09/49/1280450949.db2.gz YHNKGNPZQDGOTP-UHFFFAOYSA-N -1 1 360.284 0.428 20 30 FCEDMM Cn1ccnc1[C@@H](O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001581798094 1280523289 /nfs/dbraw/zinc/52/32/89/1280523289.db2.gz YVDZQDSBQLMEPJ-AWEZNQCLSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1ccnc1[C@@H](O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001581798094 1280523291 /nfs/dbraw/zinc/52/32/91/1280523291.db2.gz YVDZQDSBQLMEPJ-AWEZNQCLSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1nccc1[C@@H](O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001581837610 1280590485 /nfs/dbraw/zinc/59/04/85/1280590485.db2.gz RKOZIZFKKSBMPR-HNNXBMFYSA-N -1 1 366.389 0.212 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001581858328 1280609497 /nfs/dbraw/zinc/60/94/97/1280609497.db2.gz AQGXTEUNIGNCAE-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001581858328 1280609505 /nfs/dbraw/zinc/60/95/05/1280609505.db2.gz AQGXTEUNIGNCAE-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@]2([C@H]3CCCCO3)CCCO2)nc1-c1nn[nH]n1 ZINC001581860285 1280613264 /nfs/dbraw/zinc/61/32/64/1280613264.db2.gz TUWZPVNAZOBNDP-BMIGLBTASA-N -1 1 358.362 0.518 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(CN3CCOCC3)o2)nc1-c1nn[nH]n1 ZINC001581860592 1280613644 /nfs/dbraw/zinc/61/36/44/1280613644.db2.gz IRMYAYUQCHGNEF-UHFFFAOYSA-N -1 1 369.345 0.139 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864122 1280615237 /nfs/dbraw/zinc/61/52/37/1280615237.db2.gz HHTSUYRVQKQJLJ-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864122 1280615242 /nfs/dbraw/zinc/61/52/42/1280615242.db2.gz HHTSUYRVQKQJLJ-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001581863353 1280615341 /nfs/dbraw/zinc/61/53/41/1280615341.db2.gz JXULPDNTLDQVAY-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001581863353 1280615351 /nfs/dbraw/zinc/61/53/51/1280615351.db2.gz JXULPDNTLDQVAY-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581865006 1280618519 /nfs/dbraw/zinc/61/85/19/1280618519.db2.gz AHWBCFZELNTLGO-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581865006 1280618531 /nfs/dbraw/zinc/61/85/31/1280618531.db2.gz AHWBCFZELNTLGO-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001581865596 1280619881 /nfs/dbraw/zinc/61/98/81/1280619881.db2.gz LRTPYPQSSSBJPU-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001581865596 1280619889 /nfs/dbraw/zinc/61/98/89/1280619889.db2.gz LRTPYPQSSSBJPU-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c[nH]1 ZINC001581865390 1280619926 /nfs/dbraw/zinc/61/99/26/1280619926.db2.gz JHGQWDUCTNSWJJ-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c[nH]1 ZINC001581865390 1280619927 /nfs/dbraw/zinc/61/99/27/1280619927.db2.gz JHGQWDUCTNSWJJ-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581867357 1280622375 /nfs/dbraw/zinc/62/23/75/1280622375.db2.gz FGEMHINDDOFWMZ-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581867357 1280622387 /nfs/dbraw/zinc/62/23/87/1280622387.db2.gz FGEMHINDDOFWMZ-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)[nH]1 ZINC001581867571 1280623236 /nfs/dbraw/zinc/62/32/36/1280623236.db2.gz NRIHXDCARQVYDA-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)[nH]1 ZINC001581867571 1280623244 /nfs/dbraw/zinc/62/32/44/1280623244.db2.gz NRIHXDCARQVYDA-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001581868969 1280624651 /nfs/dbraw/zinc/62/46/51/1280624651.db2.gz BTSOKAYNEMWKGW-UHFFFAOYSA-N -1 1 364.373 0.131 20 30 FCEDMM N#Cc1ccc(O[C@H]2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)nc1 ZINC001581873558 1280628304 /nfs/dbraw/zinc/62/83/04/1280628304.db2.gz GPQWGBKHWYXBPF-NSHDSACASA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)o1 ZINC001581873818 1280629272 /nfs/dbraw/zinc/62/92/72/1280629272.db2.gz RBRVYULVKOPERH-LBPRGKRZSA-N -1 1 356.367 0.777 20 30 FCEDMM N#Cc1cccc2c1CN(S(=O)(=O)c1cccnc1-c1nn[n-]n1)C2 ZINC001581875798 1280632784 /nfs/dbraw/zinc/63/27/84/1280632784.db2.gz QHBQNTHZAWFOCN-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1nc(N2CCC[C@H]2C(=O)NCc2ccco2)cnc1-c1nnn[n-]1 ZINC001581879531 1280636600 /nfs/dbraw/zinc/63/66/00/1280636600.db2.gz OMBJOEPZYFNUFU-LBPRGKRZSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1nc(N2CCC[C@H]2C(=O)NCc2ccco2)cnc1-c1nn[n-]n1 ZINC001581879531 1280636604 /nfs/dbraw/zinc/63/66/04/1280636604.db2.gz OMBJOEPZYFNUFU-LBPRGKRZSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1ncc(NC[C@@H](N2CCOCC2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581882519 1280645074 /nfs/dbraw/zinc/64/50/74/1280645074.db2.gz BTRHBWGIKABTHW-SECBINFHSA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCCN(C(=O)N3CCCC3)C2)nc1-c1nn[n-]n1 ZINC001581883351 1280646461 /nfs/dbraw/zinc/64/64/61/1280646461.db2.gz XBAJDXAKEGUTEM-NSHDSACASA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(CC(F)(F)F)C2=O)nc1-c1nn[n-]n1 ZINC001581883199 1280647254 /nfs/dbraw/zinc/64/72/54/1280647254.db2.gz REKOZMDQWDCBGH-LURJTMIESA-N -1 1 353.268 0.103 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(Cc3ccccc3)C2=O)nc1-c1nn[n-]n1 ZINC001581883355 1280647874 /nfs/dbraw/zinc/64/78/74/1280647874.db2.gz XILIHFJOSDIHLN-LBPRGKRZSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)nc1-c1nn[n-]n1 ZINC001581884151 1280649371 /nfs/dbraw/zinc/64/93/71/1280649371.db2.gz MXBRBVVBEVXTLC-QMTHXVAHSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1ncc(NCC[C@@]2(O)C(=O)Nc3ccccc32)nc1-c1nn[n-]n1 ZINC001581884062 1280650753 /nfs/dbraw/zinc/65/07/53/1280650753.db2.gz ITGYKJRNVWAOBT-INIZCTEOSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1ncc(NCCc2cccc3c2OCCO3)nc1-c1nn[n-]n1 ZINC001581884329 1280651015 /nfs/dbraw/zinc/65/10/15/1280651015.db2.gz VESSGXADHPZVDE-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM O=C(C#CC1CC1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001581912305 1280714555 /nfs/dbraw/zinc/71/45/55/1280714555.db2.gz FHMKUKFKHXCXBU-KGLIPLIRSA-N -1 1 364.413 0.355 20 30 FCEDMM O=C(C#CC1CC1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001581912305 1280714561 /nfs/dbraw/zinc/71/45/61/1280714561.db2.gz FHMKUKFKHXCXBU-KGLIPLIRSA-N -1 1 364.413 0.355 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581912723 1280716989 /nfs/dbraw/zinc/71/69/89/1280716989.db2.gz VZSSTHSCSFNYIG-UGSOOPFHSA-N -1 1 364.413 0.688 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603815343 1287506160 /nfs/dbraw/zinc/50/61/60/1287506160.db2.gz TWMICNGCCJPDCO-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603815343 1287506161 /nfs/dbraw/zinc/50/61/61/1287506161.db2.gz TWMICNGCCJPDCO-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1CC(=C)C ZINC001588326132 1282417656 /nfs/dbraw/zinc/41/76/56/1282417656.db2.gz FJDYMLBFKXRMIB-LLVKDONJSA-N -1 1 353.394 0.132 20 30 FCEDMM C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588331540 1282423603 /nfs/dbraw/zinc/42/36/03/1282423603.db2.gz PRLWQKWFVFWBAJ-JTQLQIEISA-N -1 1 353.379 0.713 20 30 FCEDMM C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588331542 1282424033 /nfs/dbraw/zinc/42/40/33/1282424033.db2.gz PRLWQKWFVFWBAJ-SNVBAGLBSA-N -1 1 353.379 0.713 20 30 FCEDMM C#C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001588332427 1282424621 /nfs/dbraw/zinc/42/46/21/1282424621.db2.gz JUZKDQNJHBSTBP-JTQLQIEISA-N -1 1 362.371 0.809 20 30 FCEDMM C#C[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001588332427 1282424627 /nfs/dbraw/zinc/42/46/27/1282424627.db2.gz JUZKDQNJHBSTBP-JTQLQIEISA-N -1 1 362.371 0.809 20 30 FCEDMM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1C#N ZINC001635678007 1282424662 /nfs/dbraw/zinc/42/46/62/1282424662.db2.gz IYJOGOWJZMWINU-PHIMTYICSA-N -1 1 350.444 0.908 20 30 FCEDMM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1C#N ZINC001635678007 1282424668 /nfs/dbraw/zinc/42/46/68/1282424668.db2.gz IYJOGOWJZMWINU-PHIMTYICSA-N -1 1 350.444 0.908 20 30 FCEDMM CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC001604117722 1287575188 /nfs/dbraw/zinc/57/51/88/1287575188.db2.gz BZPUYIZERLKYRR-SECBINFHSA-N -1 1 357.378 0.439 20 30 FCEDMM C#CC1(O)CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC001588333371 1282425598 /nfs/dbraw/zinc/42/55/98/1282425598.db2.gz OATKEYLNBDEDDP-UHFFFAOYSA-N -1 1 356.411 0.681 20 30 FCEDMM C#CC[C@H](COC)NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588334347 1282427223 /nfs/dbraw/zinc/42/72/23/1282427223.db2.gz UNWUSTRZUDSZSF-CYBMUJFWSA-N -1 1 370.417 0.132 20 30 FCEDMM C#CC[C@H](COC)NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588334347 1282427226 /nfs/dbraw/zinc/42/72/26/1282427226.db2.gz UNWUSTRZUDSZSF-CYBMUJFWSA-N -1 1 370.417 0.132 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588336368 1282428522 /nfs/dbraw/zinc/42/85/22/1282428522.db2.gz NRELCNBONGCADA-CYBMUJFWSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588336368 1282428528 /nfs/dbraw/zinc/42/85/28/1282428528.db2.gz NRELCNBONGCADA-CYBMUJFWSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588336676 1282429625 /nfs/dbraw/zinc/42/96/25/1282429625.db2.gz RWCGKJQBVIWUEC-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588336676 1282429632 /nfs/dbraw/zinc/42/96/32/1282429632.db2.gz RWCGKJQBVIWUEC-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588338377 1282430287 /nfs/dbraw/zinc/43/02/87/1282430287.db2.gz KMHPVFCYKPGSPE-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588338377 1282430288 /nfs/dbraw/zinc/43/02/88/1282430288.db2.gz KMHPVFCYKPGSPE-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001588338855 1282433178 /nfs/dbraw/zinc/43/31/78/1282433178.db2.gz PZYDRHATWNAMMR-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001588338855 1282433182 /nfs/dbraw/zinc/43/31/82/1282433182.db2.gz PZYDRHATWNAMMR-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1CC ZINC001588341010 1282436473 /nfs/dbraw/zinc/43/64/73/1282436473.db2.gz QRQLDLNNAKOHGS-GXTWGEPZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1CC ZINC001588341010 1282436480 /nfs/dbraw/zinc/43/64/80/1282436480.db2.gz QRQLDLNNAKOHGS-GXTWGEPZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1CC ZINC001588341117 1282436534 /nfs/dbraw/zinc/43/65/34/1282436534.db2.gz XVIMSBVZTVIHAX-GXTWGEPZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588341117 1282436538 /nfs/dbraw/zinc/43/65/38/1282436538.db2.gz XVIMSBVZTVIHAX-GXTWGEPZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588342760 1282438985 /nfs/dbraw/zinc/43/89/85/1282438985.db2.gz RTTASPRSPYXGSH-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588342760 1282438991 /nfs/dbraw/zinc/43/89/91/1282438991.db2.gz RTTASPRSPYXGSH-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588343904 1282439866 /nfs/dbraw/zinc/43/98/66/1282439866.db2.gz WHJVVGHDWJSKLS-UHFFFAOYSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCCc2ccccc21 ZINC001588348494 1282442304 /nfs/dbraw/zinc/44/23/04/1282442304.db2.gz YQMFTOHMEJVLTR-HNNXBMFYSA-N -1 1 362.397 0.998 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001588351054 1282446087 /nfs/dbraw/zinc/44/60/87/1282446087.db2.gz ZHWBYWROXKBKSA-LLVKDONJSA-N -1 1 368.405 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588354835 1282448649 /nfs/dbraw/zinc/44/86/49/1282448649.db2.gz AXMHSDQOCZRYKO-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355383 1282453138 /nfs/dbraw/zinc/45/31/38/1282453138.db2.gz HLMFZVLPSVBOFJ-WCQYABFASA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355383 1282453146 /nfs/dbraw/zinc/45/31/46/1282453146.db2.gz HLMFZVLPSVBOFJ-WCQYABFASA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588355950 1282457869 /nfs/dbraw/zinc/45/78/69/1282457869.db2.gz QAVFDTPLRMOSCI-WCQYABFASA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588355950 1282457872 /nfs/dbraw/zinc/45/78/72/1282457872.db2.gz QAVFDTPLRMOSCI-WCQYABFASA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588357173 1282462409 /nfs/dbraw/zinc/46/24/09/1282462409.db2.gz IVYVOMDYTVBMCW-LBPRGKRZSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588357173 1282462413 /nfs/dbraw/zinc/46/24/13/1282462413.db2.gz IVYVOMDYTVBMCW-LBPRGKRZSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588357001 1282462823 /nfs/dbraw/zinc/46/28/23/1282462823.db2.gz HZATUFGCIRUVQW-OLZOCXBDSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588357001 1282462830 /nfs/dbraw/zinc/46/28/30/1282462830.db2.gz HZATUFGCIRUVQW-OLZOCXBDSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588357040 1282463297 /nfs/dbraw/zinc/46/32/97/1282463297.db2.gz IWINFXUAOCEKIO-LBPRGKRZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588357314 1282464881 /nfs/dbraw/zinc/46/48/81/1282464881.db2.gz LCMQJOLOZLVWMM-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588358441 1282468145 /nfs/dbraw/zinc/46/81/45/1282468145.db2.gz RYKBJLQJQLFUHX-LLVKDONJSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588358441 1282468155 /nfs/dbraw/zinc/46/81/55/1282468155.db2.gz RYKBJLQJQLFUHX-LLVKDONJSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358470 1282469245 /nfs/dbraw/zinc/46/92/45/1282469245.db2.gz XPEXJMRCUKULBU-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358470 1282469246 /nfs/dbraw/zinc/46/92/46/1282469246.db2.gz XPEXJMRCUKULBU-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588358722 1282470673 /nfs/dbraw/zinc/47/06/73/1282470673.db2.gz ACORGLQCMLNWSP-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588358722 1282470679 /nfs/dbraw/zinc/47/06/79/1282470679.db2.gz ACORGLQCMLNWSP-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588358993 1282473345 /nfs/dbraw/zinc/47/33/45/1282473345.db2.gz FQDMWJMPTAURAM-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588358993 1282473349 /nfs/dbraw/zinc/47/33/49/1282473349.db2.gz FQDMWJMPTAURAM-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001588359101 1282473501 /nfs/dbraw/zinc/47/35/01/1282473501.db2.gz HKCCQRDBQGKMIL-GFCCVEGCSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001588359101 1282473505 /nfs/dbraw/zinc/47/35/05/1282473505.db2.gz HKCCQRDBQGKMIL-GFCCVEGCSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360651 1282478109 /nfs/dbraw/zinc/47/81/09/1282478109.db2.gz UDKJTVZAUPZJFS-OLZOCXBDSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360651 1282478114 /nfs/dbraw/zinc/47/81/14/1282478114.db2.gz UDKJTVZAUPZJFS-OLZOCXBDSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361130 1282481897 /nfs/dbraw/zinc/48/18/97/1282481897.db2.gz FBOIMXXZTUEPTL-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361130 1282481903 /nfs/dbraw/zinc/48/19/03/1282481903.db2.gz FBOIMXXZTUEPTL-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361842 1282484022 /nfs/dbraw/zinc/48/40/22/1282484022.db2.gz UAOAMXFOKBYSGG-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001588364261 1282491650 /nfs/dbraw/zinc/49/16/50/1282491650.db2.gz BRKQKQZEJWOYCV-UHFFFAOYSA-N -1 1 374.408 0.991 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001588364261 1282491654 /nfs/dbraw/zinc/49/16/54/1282491654.db2.gz BRKQKQZEJWOYCV-UHFFFAOYSA-N -1 1 374.408 0.991 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001588364377 1282491690 /nfs/dbraw/zinc/49/16/90/1282491690.db2.gz CHPHAAABQGJSMV-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001588364377 1282491695 /nfs/dbraw/zinc/49/16/95/1282491695.db2.gz CHPHAAABQGJSMV-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)NCCCN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001588371279 1282493504 /nfs/dbraw/zinc/49/35/04/1282493504.db2.gz BHOBSTFDEOBHMX-UHFFFAOYSA-N -1 1 362.397 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NCCCN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001588371279 1282493509 /nfs/dbraw/zinc/49/35/09/1282493509.db2.gz BHOBSTFDEOBHMX-UHFFFAOYSA-N -1 1 362.397 0.894 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001588380280 1282495053 /nfs/dbraw/zinc/49/50/53/1282495053.db2.gz ZUFGAMVXNYUTMP-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001588380280 1282495055 /nfs/dbraw/zinc/49/50/55/1282495055.db2.gz ZUFGAMVXNYUTMP-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001588380404 1282495077 /nfs/dbraw/zinc/49/50/77/1282495077.db2.gz DPCJOGSQWFVGRI-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001588380404 1282495085 /nfs/dbraw/zinc/49/50/85/1282495085.db2.gz DPCJOGSQWFVGRI-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001588380809 1282495739 /nfs/dbraw/zinc/49/57/39/1282495739.db2.gz MOFQZXUFMMITEP-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001588380809 1282495748 /nfs/dbraw/zinc/49/57/48/1282495748.db2.gz MOFQZXUFMMITEP-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001588381294 1282497853 /nfs/dbraw/zinc/49/78/53/1282497853.db2.gz XSBOUTHXFSVTKX-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001588381294 1282497858 /nfs/dbraw/zinc/49/78/58/1282497858.db2.gz XSBOUTHXFSVTKX-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001588402912 1282499800 /nfs/dbraw/zinc/49/98/00/1282499800.db2.gz PIMHXERPWRVKBR-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402997 1282500058 /nfs/dbraw/zinc/50/00/58/1282500058.db2.gz RSZHMMQNMIZBBJ-CHWSQXEVSA-N -1 1 374.449 0.709 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC ZINC001588409175 1282501686 /nfs/dbraw/zinc/50/16/86/1282501686.db2.gz BHLDLJXCYMSVHI-LBPRGKRZSA-N -1 1 369.378 0.792 20 30 FCEDMM CCOc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001609246094 1289016619 /nfs/dbraw/zinc/01/66/19/1289016619.db2.gz CUCLCPSGIBATGW-UHFFFAOYSA-N -1 1 352.358 0.650 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588448001 1282507091 /nfs/dbraw/zinc/50/70/91/1282507091.db2.gz PRKUGYZOWYSEIL-NSHDSACASA-N -1 1 358.406 0.244 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588448001 1282507099 /nfs/dbraw/zinc/50/70/99/1282507099.db2.gz PRKUGYZOWYSEIL-NSHDSACASA-N -1 1 358.406 0.244 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588468266 1282514237 /nfs/dbraw/zinc/51/42/37/1282514237.db2.gz JIMGRQQYUQDQCD-UHFFFAOYSA-N -1 1 374.449 0.780 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588468266 1282514242 /nfs/dbraw/zinc/51/42/42/1282514242.db2.gz JIMGRQQYUQDQCD-UHFFFAOYSA-N -1 1 374.449 0.780 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001588474220 1282514360 /nfs/dbraw/zinc/51/43/60/1282514360.db2.gz FDMLWVYDEDZXIG-CNDDSTCGSA-N -1 1 354.418 0.667 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001588474220 1282514370 /nfs/dbraw/zinc/51/43/70/1282514370.db2.gz FDMLWVYDEDZXIG-CNDDSTCGSA-N -1 1 354.418 0.667 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588467906 1282514758 /nfs/dbraw/zinc/51/47/58/1282514758.db2.gz GGCZDWFBHGRMOI-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588467906 1282514767 /nfs/dbraw/zinc/51/47/67/1282514767.db2.gz GGCZDWFBHGRMOI-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001588474482 1282514822 /nfs/dbraw/zinc/51/48/22/1282514822.db2.gz GOLOCAUVCBIJAR-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001588474482 1282514826 /nfs/dbraw/zinc/51/48/26/1282514826.db2.gz GOLOCAUVCBIJAR-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588476344 1282516485 /nfs/dbraw/zinc/51/64/85/1282516485.db2.gz VDVSMUBSCDTOOO-YPMHNXCESA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588476344 1282516497 /nfs/dbraw/zinc/51/64/97/1282516497.db2.gz VDVSMUBSCDTOOO-YPMHNXCESA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588477658 1282516606 /nfs/dbraw/zinc/51/66/06/1282516606.db2.gz BHVDKEADNYLLNJ-UHFFFAOYSA-N -1 1 371.449 0.107 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588477658 1282516617 /nfs/dbraw/zinc/51/66/17/1282516617.db2.gz BHVDKEADNYLLNJ-UHFFFAOYSA-N -1 1 371.449 0.107 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588476887 1282517489 /nfs/dbraw/zinc/51/74/89/1282517489.db2.gz YITJFMJBIZJHLR-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588476887 1282517496 /nfs/dbraw/zinc/51/74/96/1282517496.db2.gz YITJFMJBIZJHLR-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588488622 1282518683 /nfs/dbraw/zinc/51/86/83/1282518683.db2.gz KHFACGUGVNGVOJ-SJCJKPOMSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588488622 1282518696 /nfs/dbraw/zinc/51/86/96/1282518696.db2.gz KHFACGUGVNGVOJ-SJCJKPOMSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588483299 1282520766 /nfs/dbraw/zinc/52/07/66/1282520766.db2.gz FLOOIRIRLPILLZ-LBPRGKRZSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588493410 1282522050 /nfs/dbraw/zinc/52/20/50/1282522050.db2.gz FFFBMFQXBYUBEL-SJORKVTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588493410 1282522063 /nfs/dbraw/zinc/52/20/63/1282522063.db2.gz FFFBMFQXBYUBEL-SJORKVTESA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588491876 1282523309 /nfs/dbraw/zinc/52/33/09/1282523309.db2.gz LNJDCMGLXQYKBZ-INIZCTEOSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588491876 1282523315 /nfs/dbraw/zinc/52/33/15/1282523315.db2.gz LNJDCMGLXQYKBZ-INIZCTEOSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588496414 1282526148 /nfs/dbraw/zinc/52/61/48/1282526148.db2.gz QLJMNNWMXDISMB-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588496414 1282526159 /nfs/dbraw/zinc/52/61/59/1282526159.db2.gz QLJMNNWMXDISMB-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588499586 1282530552 /nfs/dbraw/zinc/53/05/52/1282530552.db2.gz KNZYZRLLZXPSGH-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588499586 1282530558 /nfs/dbraw/zinc/53/05/58/1282530558.db2.gz KNZYZRLLZXPSGH-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588500111 1282530594 /nfs/dbraw/zinc/53/05/94/1282530594.db2.gz QVTQMBSVMXOCPR-BWACUDIHSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588500111 1282530598 /nfs/dbraw/zinc/53/05/98/1282530598.db2.gz QVTQMBSVMXOCPR-BWACUDIHSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588499908 1282531602 /nfs/dbraw/zinc/53/16/02/1282531602.db2.gz ONWZWKHMVFWRQR-SJCJKPOMSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588499908 1282531611 /nfs/dbraw/zinc/53/16/11/1282531611.db2.gz ONWZWKHMVFWRQR-SJCJKPOMSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588499910 1282532690 /nfs/dbraw/zinc/53/26/90/1282532690.db2.gz ONWZWKHMVFWRQR-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588499910 1282532700 /nfs/dbraw/zinc/53/27/00/1282532700.db2.gz ONWZWKHMVFWRQR-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588501667 1282538823 /nfs/dbraw/zinc/53/88/23/1282538823.db2.gz NQYRLPVYTXFAAE-QGZVFWFLSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588502970 1282541233 /nfs/dbraw/zinc/54/12/33/1282541233.db2.gz VKQSSEYXPXKXRN-CLIRUNRCSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588502970 1282541243 /nfs/dbraw/zinc/54/12/43/1282541243.db2.gz VKQSSEYXPXKXRN-CLIRUNRCSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588503743 1282542417 /nfs/dbraw/zinc/54/24/17/1282542417.db2.gz DXTJYSIVRSOHHV-ZBEGNZNMSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588503743 1282542427 /nfs/dbraw/zinc/54/24/27/1282542427.db2.gz DXTJYSIVRSOHHV-ZBEGNZNMSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588504310 1282542717 /nfs/dbraw/zinc/54/27/17/1282542717.db2.gz JXHJHGVLNYGQSC-PSTGCABASA-N -1 1 372.433 0.172 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588504310 1282542726 /nfs/dbraw/zinc/54/27/26/1282542726.db2.gz JXHJHGVLNYGQSC-PSTGCABASA-N -1 1 372.433 0.172 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588504328 1282544365 /nfs/dbraw/zinc/54/43/65/1282544365.db2.gz KAXGJURWLSEILT-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588504328 1282544372 /nfs/dbraw/zinc/54/43/72/1282544372.db2.gz KAXGJURWLSEILT-PRDDCLIZSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505607 1282545021 /nfs/dbraw/zinc/54/50/21/1282545021.db2.gz SPMFWRUSHIDPCX-SJKOYZFVSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505607 1282545027 /nfs/dbraw/zinc/54/50/27/1282545027.db2.gz SPMFWRUSHIDPCX-SJKOYZFVSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588505574 1282545512 /nfs/dbraw/zinc/54/55/12/1282545512.db2.gz RPUNOSDYYZQHIM-QGZVFWFLSA-N -1 1 370.417 0.237 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588505445 1282546066 /nfs/dbraw/zinc/54/60/66/1282546066.db2.gz RAJCOWFETXHLBW-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588505445 1282546072 /nfs/dbraw/zinc/54/60/72/1282546072.db2.gz RAJCOWFETXHLBW-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1CC ZINC001588508052 1282550684 /nfs/dbraw/zinc/55/06/84/1282550684.db2.gz NOQJENLSLUVBTE-XTQGRXLLSA-N -1 1 372.433 0.457 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1CC ZINC001588508052 1282550691 /nfs/dbraw/zinc/55/06/91/1282550691.db2.gz NOQJENLSLUVBTE-XTQGRXLLSA-N -1 1 372.433 0.457 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588520822 1282557064 /nfs/dbraw/zinc/55/70/64/1282557064.db2.gz FVJHTLZWHHNCHX-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588520822 1282557075 /nfs/dbraw/zinc/55/70/75/1282557075.db2.gz FVJHTLZWHHNCHX-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588533233 1282560355 /nfs/dbraw/zinc/56/03/55/1282560355.db2.gz RZIKMRNGRIVHQC-AAEUAGOBSA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588533233 1282560366 /nfs/dbraw/zinc/56/03/66/1282560366.db2.gz RZIKMRNGRIVHQC-AAEUAGOBSA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588532711 1282561129 /nfs/dbraw/zinc/56/11/29/1282561129.db2.gz CRPQQZJGTBBNAL-GFCCVEGCSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CCC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001588531852 1282562292 /nfs/dbraw/zinc/56/22/92/1282562292.db2.gz KGQGNGVIXCFHPX-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CCC(C)(C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001588531852 1282562297 /nfs/dbraw/zinc/56/22/97/1282562297.db2.gz KGQGNGVIXCFHPX-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001588548847 1282564098 /nfs/dbraw/zinc/56/40/98/1282564098.db2.gz IFCGSFDKEYYBLP-LBPRGKRZSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CCC1(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001588548847 1282564109 /nfs/dbraw/zinc/56/41/09/1282564109.db2.gz IFCGSFDKEYYBLP-LBPRGKRZSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CCC1 ZINC001588556844 1282566960 /nfs/dbraw/zinc/56/69/60/1282566960.db2.gz VSUHJTXYJAASJA-CHWSQXEVSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CCC1 ZINC001588556844 1282566970 /nfs/dbraw/zinc/56/69/70/1282566970.db2.gz VSUHJTXYJAASJA-CHWSQXEVSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001588549735 1282567653 /nfs/dbraw/zinc/56/76/53/1282567653.db2.gz WFMKACAMHNTARK-UHFFFAOYSA-N -1 1 372.433 0.636 20 30 FCEDMM C=CCC1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001588549735 1282567658 /nfs/dbraw/zinc/56/76/58/1282567658.db2.gz WFMKACAMHNTARK-UHFFFAOYSA-N -1 1 372.433 0.636 20 30 FCEDMM C=CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001588572377 1282569356 /nfs/dbraw/zinc/56/93/56/1282569356.db2.gz GVDKDDPPFHVQHF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001588572377 1282569365 /nfs/dbraw/zinc/56/93/65/1282569365.db2.gz GVDKDDPPFHVQHF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588571008 1282570194 /nfs/dbraw/zinc/57/01/94/1282570194.db2.gz GDFPYRCOQQCBFY-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588571008 1282570207 /nfs/dbraw/zinc/57/02/07/1282570207.db2.gz GDFPYRCOQQCBFY-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588586991 1282575154 /nfs/dbraw/zinc/57/51/54/1282575154.db2.gz QBXDDKQBGPFRJO-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588590426 1282577092 /nfs/dbraw/zinc/57/70/92/1282577092.db2.gz MJHIEVNYWKPWKJ-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588610375 1282586735 /nfs/dbraw/zinc/58/67/35/1282586735.db2.gz CQLOSYAMBPYOAW-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588610375 1282586741 /nfs/dbraw/zinc/58/67/41/1282586741.db2.gz CQLOSYAMBPYOAW-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001588610333 1282586785 /nfs/dbraw/zinc/58/67/85/1282586785.db2.gz BJNXMYJJRATNBJ-QWHCGFSZSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588610372 1282587042 /nfs/dbraw/zinc/58/70/42/1282587042.db2.gz CQLOSYAMBPYOAW-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588610372 1282587051 /nfs/dbraw/zinc/58/70/51/1282587051.db2.gz CQLOSYAMBPYOAW-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588609438 1282587827 /nfs/dbraw/zinc/58/78/27/1282587827.db2.gz XETIXCGYSBXDGU-CHWSQXEVSA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588611703 1282589105 /nfs/dbraw/zinc/58/91/05/1282589105.db2.gz VXZIACPXCWPKHF-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588611703 1282589114 /nfs/dbraw/zinc/58/91/14/1282589114.db2.gz VXZIACPXCWPKHF-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588615688 1282592315 /nfs/dbraw/zinc/59/23/15/1282592315.db2.gz CWFVUHKPRNIEEQ-OLZOCXBDSA-N -1 1 372.433 0.641 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588615688 1282592326 /nfs/dbraw/zinc/59/23/26/1282592326.db2.gz CWFVUHKPRNIEEQ-OLZOCXBDSA-N -1 1 372.433 0.641 20 30 FCEDMM C=CCCOCC(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588615797 1282593589 /nfs/dbraw/zinc/59/35/89/1282593589.db2.gz IFSIMQPNHXPWDC-UHFFFAOYSA-N -1 1 372.433 0.865 20 30 FCEDMM C=CCCOCC(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588615797 1282593600 /nfs/dbraw/zinc/59/36/00/1282593600.db2.gz IFSIMQPNHXPWDC-UHFFFAOYSA-N -1 1 372.433 0.865 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588616603 1282594664 /nfs/dbraw/zinc/59/46/64/1282594664.db2.gz KEBQVPJHLDKWRU-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588616603 1282594670 /nfs/dbraw/zinc/59/46/70/1282594670.db2.gz KEBQVPJHLDKWRU-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588617149 1282598051 /nfs/dbraw/zinc/59/80/51/1282598051.db2.gz RVIUWGBALNCUPS-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588617149 1282598059 /nfs/dbraw/zinc/59/80/59/1282598059.db2.gz RVIUWGBALNCUPS-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588616659 1282599191 /nfs/dbraw/zinc/59/91/91/1282599191.db2.gz LDZURASPVUUUOI-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588616659 1282599198 /nfs/dbraw/zinc/59/91/98/1282599198.db2.gz LDZURASPVUUUOI-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](CC)C1 ZINC001588667070 1282624057 /nfs/dbraw/zinc/62/40/57/1282624057.db2.gz QQPAACZEPPYRFM-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](CC)C1 ZINC001588667070 1282624073 /nfs/dbraw/zinc/62/40/73/1282624073.db2.gz QQPAACZEPPYRFM-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588666904 1282625359 /nfs/dbraw/zinc/62/53/59/1282625359.db2.gz ODQHEBATQCCEHF-GFCCVEGCSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588666904 1282625373 /nfs/dbraw/zinc/62/53/73/1282625373.db2.gz ODQHEBATQCCEHF-GFCCVEGCSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588671788 1282626459 /nfs/dbraw/zinc/62/64/59/1282626459.db2.gz NGXGZJXMOCKCHD-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCOCC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001588671788 1282626473 /nfs/dbraw/zinc/62/64/73/1282626473.db2.gz NGXGZJXMOCKCHD-UHFFFAOYSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCOCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001588671924 1282626847 /nfs/dbraw/zinc/62/68/47/1282626847.db2.gz PTRBPZRSOFVPRV-CYBMUJFWSA-N -1 1 372.433 0.368 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588672426 1282627019 /nfs/dbraw/zinc/62/70/19/1282627019.db2.gz VNPCYBRHHVIYLT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588672426 1282627032 /nfs/dbraw/zinc/62/70/32/1282627032.db2.gz VNPCYBRHHVIYLT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588672679 1282628100 /nfs/dbraw/zinc/62/81/00/1282628100.db2.gz YMGHDFWXHPOJOP-GHMZBOCLSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588672679 1282628119 /nfs/dbraw/zinc/62/81/19/1282628119.db2.gz YMGHDFWXHPOJOP-GHMZBOCLSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588674172 1282632302 /nfs/dbraw/zinc/63/23/02/1282632302.db2.gz KDWSDGIKQRXWQR-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588674172 1282632310 /nfs/dbraw/zinc/63/23/10/1282632310.db2.gz KDWSDGIKQRXWQR-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588674457 1282632868 /nfs/dbraw/zinc/63/28/68/1282632868.db2.gz OCWLVWZIYIBSFZ-ZDUSSCGKSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588674457 1282632889 /nfs/dbraw/zinc/63/28/89/1282632889.db2.gz OCWLVWZIYIBSFZ-ZDUSSCGKSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588675837 1282635459 /nfs/dbraw/zinc/63/54/59/1282635459.db2.gz KLZMEJOUDXTOJK-JOCQHMNTSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588675837 1282635473 /nfs/dbraw/zinc/63/54/73/1282635473.db2.gz KLZMEJOUDXTOJK-JOCQHMNTSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588681956 1282641046 /nfs/dbraw/zinc/64/10/46/1282641046.db2.gz JHSABVXWFWCGAS-UHFFFAOYSA-N -1 1 368.375 0.646 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588681942 1282642020 /nfs/dbraw/zinc/64/20/20/1282642020.db2.gz IYSGQDNOWZJOFI-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588681942 1282642033 /nfs/dbraw/zinc/64/20/33/1282642033.db2.gz IYSGQDNOWZJOFI-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001588681444 1282642269 /nfs/dbraw/zinc/64/22/69/1282642269.db2.gz NZAGJKODHXGABP-WXHSDQCUSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001588681444 1282642282 /nfs/dbraw/zinc/64/22/82/1282642282.db2.gz NZAGJKODHXGABP-WXHSDQCUSA-N -1 1 356.390 0.085 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588682717 1282644077 /nfs/dbraw/zinc/64/40/77/1282644077.db2.gz QINPAKHLENWLMC-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588682717 1282644091 /nfs/dbraw/zinc/64/40/91/1282644091.db2.gz QINPAKHLENWLMC-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682738 1282646402 /nfs/dbraw/zinc/64/64/02/1282646402.db2.gz RQXVFCLTWCIOGP-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCn1c(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)nnc1N1CCSCC1 ZINC001588695486 1282649733 /nfs/dbraw/zinc/64/97/33/1282649733.db2.gz WWIVPCUSNRRRPA-UHFFFAOYSA-N -1 1 371.430 0.965 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C(=O)NC)C1 ZINC001588703472 1282651555 /nfs/dbraw/zinc/65/15/55/1282651555.db2.gz BVKRRSBJVDIURY-JTQLQIEISA-N -1 1 369.389 0.477 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C(=O)NC)C1 ZINC001588703472 1282651570 /nfs/dbraw/zinc/65/15/70/1282651570.db2.gz BVKRRSBJVDIURY-JTQLQIEISA-N -1 1 369.389 0.477 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001588699259 1282651769 /nfs/dbraw/zinc/65/17/69/1282651769.db2.gz GWVHTPDCZKOROV-MRXNPFEDSA-N -1 1 368.405 0.651 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCO[C@H](CC)C1 ZINC001588698823 1282652550 /nfs/dbraw/zinc/65/25/50/1282652550.db2.gz BHMKGTCRLLRXGM-SNVBAGLBSA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)CCNC(C)=O ZINC001588703486 1282653887 /nfs/dbraw/zinc/65/38/87/1282653887.db2.gz CAOOUJRZEYUCEY-UHFFFAOYSA-N -1 1 357.378 0.477 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)CCNC(C)=O ZINC001588703486 1282653899 /nfs/dbraw/zinc/65/38/99/1282653899.db2.gz CAOOUJRZEYUCEY-UHFFFAOYSA-N -1 1 357.378 0.477 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC2CC1(C)C2 ZINC001588709847 1282658588 /nfs/dbraw/zinc/65/85/88/1282658588.db2.gz WPRMVLXILXFMKT-UHFFFAOYSA-N -1 1 353.394 0.273 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588718790 1282663758 /nfs/dbraw/zinc/66/37/58/1282663758.db2.gz SVMZLSYVMNCMRY-LOWVWBTDSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588718790 1282663773 /nfs/dbraw/zinc/66/37/73/1282663773.db2.gz SVMZLSYVMNCMRY-LOWVWBTDSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588719173 1282665021 /nfs/dbraw/zinc/66/50/21/1282665021.db2.gz YMBGFCOBYFYEMZ-YZVRNYIASA-N -1 1 370.417 0.649 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588719173 1282665032 /nfs/dbraw/zinc/66/50/32/1282665032.db2.gz YMBGFCOBYFYEMZ-YZVRNYIASA-N -1 1 370.417 0.649 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588721989 1282667123 /nfs/dbraw/zinc/66/71/23/1282667123.db2.gz RFZSSIAPSXVBAW-DYEKYZERSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588721989 1282667140 /nfs/dbraw/zinc/66/71/40/1282667140.db2.gz RFZSSIAPSXVBAW-DYEKYZERSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588721824 1282667763 /nfs/dbraw/zinc/66/77/63/1282667763.db2.gz OGALMIIEXAKNQM-WZRBSPASSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588721824 1282667773 /nfs/dbraw/zinc/66/77/73/1282667773.db2.gz OGALMIIEXAKNQM-WZRBSPASSA-N -1 1 358.406 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588723836 1282670945 /nfs/dbraw/zinc/67/09/45/1282670945.db2.gz QZAJDMIRDRCELG-BYNQJWBRSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588723836 1282670955 /nfs/dbraw/zinc/67/09/55/1282670955.db2.gz QZAJDMIRDRCELG-BYNQJWBRSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588724155 1282672819 /nfs/dbraw/zinc/67/28/19/1282672819.db2.gz WVVOOWLBSQLRSV-LOWVWBTDSA-N -1 1 358.406 0.473 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588724155 1282672828 /nfs/dbraw/zinc/67/28/28/1282672828.db2.gz WVVOOWLBSQLRSV-LOWVWBTDSA-N -1 1 358.406 0.473 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588726161 1282674498 /nfs/dbraw/zinc/67/44/98/1282674498.db2.gz VEABNDJDABVNDE-CZXHOFHRSA-N -1 1 370.417 0.615 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588726161 1282674513 /nfs/dbraw/zinc/67/45/13/1282674513.db2.gz VEABNDJDABVNDE-CZXHOFHRSA-N -1 1 370.417 0.615 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588743339 1282681844 /nfs/dbraw/zinc/68/18/44/1282681844.db2.gz AWQNNESWBLOKTP-BETUJISGSA-N -1 1 354.418 0.579 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588743829 1282682880 /nfs/dbraw/zinc/68/28/80/1282682880.db2.gz MPNUQRJFHMWHTL-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588743829 1282682896 /nfs/dbraw/zinc/68/28/96/1282682896.db2.gz MPNUQRJFHMWHTL-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM CC(=O)Nc1cccc(OCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001588883930 1282723282 /nfs/dbraw/zinc/72/32/82/1282723282.db2.gz MQSKVEVRJRXOLM-UHFFFAOYSA-N -1 1 365.357 0.978 20 30 FCEDMM CC(=O)Oc1ccc(CC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001588888529 1282724998 /nfs/dbraw/zinc/72/49/98/1282724998.db2.gz XOHLFJZBEOAYCR-UHFFFAOYSA-N -1 1 365.353 0.980 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588926759 1282730472 /nfs/dbraw/zinc/73/04/72/1282730472.db2.gz URQQTNADWPBSEY-BZNIZROVSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588926759 1282730478 /nfs/dbraw/zinc/73/04/78/1282730478.db2.gz URQQTNADWPBSEY-BZNIZROVSA-N -1 1 353.390 0.245 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589067830 1282790814 /nfs/dbraw/zinc/79/08/14/1282790814.db2.gz HNBGVQAEBRVFCP-GFCCVEGCSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589067830 1282790823 /nfs/dbraw/zinc/79/08/23/1282790823.db2.gz HNBGVQAEBRVFCP-GFCCVEGCSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001589068377 1282791583 /nfs/dbraw/zinc/79/15/83/1282791583.db2.gz QPBACMSNWHLXIW-KRWDZBQOSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001589068377 1282791588 /nfs/dbraw/zinc/79/15/88/1282791588.db2.gz QPBACMSNWHLXIW-KRWDZBQOSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589157456 1282812108 /nfs/dbraw/zinc/81/21/08/1282812108.db2.gz BNYURLCPNYXQNY-NXEZZACHSA-N -1 1 357.378 0.250 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589158314 1282812856 /nfs/dbraw/zinc/81/28/56/1282812856.db2.gz XAVOHAYCDNCFQW-NXEZZACHSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589387167 1282863903 /nfs/dbraw/zinc/86/39/03/1282863903.db2.gz HGCCSZLVVXZCNO-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001589390039 1282869933 /nfs/dbraw/zinc/86/99/33/1282869933.db2.gz YFVZFINSCRGHTQ-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001589390039 1282869946 /nfs/dbraw/zinc/86/99/46/1282869946.db2.gz YFVZFINSCRGHTQ-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM C[C@H](CC#N)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589786768 1283003548 /nfs/dbraw/zinc/00/35/48/1283003548.db2.gz CDROBABLSLRDSF-SECBINFHSA-N -1 1 359.394 0.517 20 30 FCEDMM C[C@H](CC#N)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589786768 1283003560 /nfs/dbraw/zinc/00/35/60/1283003560.db2.gz CDROBABLSLRDSF-SECBINFHSA-N -1 1 359.394 0.517 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CSCC#N ZINC001589813452 1283038357 /nfs/dbraw/zinc/03/83/57/1283038357.db2.gz HRYLINSLUDBTJB-JTQLQIEISA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@@H](CCCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CSCC#N ZINC001589813452 1283038371 /nfs/dbraw/zinc/03/83/71/1283038371.db2.gz HRYLINSLUDBTJB-JTQLQIEISA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@H](CCCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589815410 1283047340 /nfs/dbraw/zinc/04/73/40/1283047340.db2.gz RKVCKZRGHZLEQF-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001589815410 1283047344 /nfs/dbraw/zinc/04/73/44/1283047344.db2.gz RKVCKZRGHZLEQF-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987142 1283156665 /nfs/dbraw/zinc/15/66/65/1283156665.db2.gz GKZALXAQXCKEGE-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987142 1283156667 /nfs/dbraw/zinc/15/66/67/1283156667.db2.gz GKZALXAQXCKEGE-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985501 1283157259 /nfs/dbraw/zinc/15/72/59/1283157259.db2.gz KLMYWASNOASVLA-CHWSQXEVSA-N -1 1 368.445 0.777 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590102659 1283213730 /nfs/dbraw/zinc/21/37/30/1283213730.db2.gz WKTLQYSPXAZFEI-NSHDSACASA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590102659 1283213733 /nfs/dbraw/zinc/21/37/33/1283213733.db2.gz WKTLQYSPXAZFEI-NSHDSACASA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CSCC#N ZINC001590180485 1283284558 /nfs/dbraw/zinc/28/45/58/1283284558.db2.gz UOJYIEGJBWJITM-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CSCC#N ZINC001590180485 1283284570 /nfs/dbraw/zinc/28/45/70/1283284570.db2.gz UOJYIEGJBWJITM-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nnn[n-]1 ZINC001590199674 1283313530 /nfs/dbraw/zinc/31/35/30/1283313530.db2.gz VNULTMKLMLYVEY-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nn[n-]n1 ZINC001590199674 1283313543 /nfs/dbraw/zinc/31/35/43/1283313543.db2.gz VNULTMKLMLYVEY-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590283338 1283410673 /nfs/dbraw/zinc/41/06/73/1283410673.db2.gz MUSYKQMGSMSFSI-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590283338 1283410679 /nfs/dbraw/zinc/41/06/79/1283410679.db2.gz MUSYKQMGSMSFSI-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(C#N)n1 ZINC001590318511 1283463140 /nfs/dbraw/zinc/46/31/40/1283463140.db2.gz QAVLJXOKNINYKC-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(C#N)n1 ZINC001590318511 1283463147 /nfs/dbraw/zinc/46/31/47/1283463147.db2.gz QAVLJXOKNINYKC-LBPRGKRZSA-N -1 1 362.401 0.634 20 30 FCEDMM CCCCNC(=O)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590602967 1283632828 /nfs/dbraw/zinc/63/28/28/1283632828.db2.gz XTEIGOHFBSRWGJ-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCOC(=O)[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1 ZINC001590748288 1283801286 /nfs/dbraw/zinc/80/12/86/1283801286.db2.gz AZJHCSORWQPLJY-LLVKDONJSA-N -1 1 366.341 0.747 20 30 FCEDMM CC[S@](=O)c1ccccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590851033 1283927802 /nfs/dbraw/zinc/92/78/02/1283927802.db2.gz FTMUXNAHBGIICG-VWLOTQADSA-N -1 1 356.371 0.841 20 30 FCEDMM CCc1nc(NC[C@H](O)CN(C)C(=O)C#CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001590917190 1283965795 /nfs/dbraw/zinc/96/57/95/1283965795.db2.gz CWIZLALFSUVPAK-LBPRGKRZSA-N -1 1 372.433 0.110 20 30 FCEDMM CCc1nc(NC[C@H](O)CN(C)C(=O)C#CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001590917190 1283965798 /nfs/dbraw/zinc/96/57/98/1283965798.db2.gz CWIZLALFSUVPAK-LBPRGKRZSA-N -1 1 372.433 0.110 20 30 FCEDMM CN(C)S(=O)(=O)c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001591022197 1284080721 /nfs/dbraw/zinc/08/07/21/1284080721.db2.gz UCFUDNKIAGYIHG-UHFFFAOYSA-N -1 1 358.387 0.233 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)CSCC#N)c1nccnc1-c1nnn[n-]1 ZINC001591055930 1284114258 /nfs/dbraw/zinc/11/42/58/1284114258.db2.gz KXLXDIOSLMPNIR-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)CSCC#N)c1nccnc1-c1nn[n-]n1 ZINC001591055930 1284114262 /nfs/dbraw/zinc/11/42/62/1284114262.db2.gz KXLXDIOSLMPNIR-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001591058721 1284119911 /nfs/dbraw/zinc/11/99/11/1284119911.db2.gz XPEAKIGYAMAZHS-ZDUSSCGKSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001591058721 1284119916 /nfs/dbraw/zinc/11/99/16/1284119916.db2.gz XPEAKIGYAMAZHS-ZDUSSCGKSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CSCC#N)CC1 ZINC001591159328 1284235640 /nfs/dbraw/zinc/23/56/40/1284235640.db2.gz BIAOPFWXTFRABO-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CSCC#N)CC1 ZINC001591159328 1284235648 /nfs/dbraw/zinc/23/56/48/1284235648.db2.gz BIAOPFWXTFRABO-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CS(=O)(=O)c1cccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001591682010 1284823305 /nfs/dbraw/zinc/82/33/05/1284823305.db2.gz SDALMZTYZKKKLA-UHFFFAOYSA-N -1 1 356.371 0.544 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@](C)(C#N)C2)cc1-c1nn[n-]n1 ZINC001591702887 1284844230 /nfs/dbraw/zinc/84/42/30/1284844230.db2.gz CAXSMVOLGODWNI-AWEZNQCLSA-N -1 1 361.387 0.444 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)NC2CCN(CC#N)CC2)cc1-c1nn[n-]n1 ZINC001591703511 1284845067 /nfs/dbraw/zinc/84/50/67/1284845067.db2.gz HUGYMFPRZFJWEP-UHFFFAOYSA-N -1 1 374.430 0.407 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)NC2(C#N)CCOCC2)cc1-c1nn[n-]n1 ZINC001591703695 1284846741 /nfs/dbraw/zinc/84/67/41/1284846741.db2.gz LFZWNHYSMGKNBR-UHFFFAOYSA-N -1 1 361.387 0.492 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@](F)(C#N)C1 ZINC001591793691 1284906995 /nfs/dbraw/zinc/90/69/95/1284906995.db2.gz NHMWYHUJWYQYDP-MRXNPFEDSA-N -1 1 359.365 0.981 20 30 FCEDMM Cc1cc(F)c(C#N)cc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591985919 1285043162 /nfs/dbraw/zinc/04/31/62/1285043162.db2.gz FSRXAWDFVFIRAN-UHFFFAOYSA-N -1 1 356.325 0.599 20 30 FCEDMM Cc1ccccc1-n1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nn1 ZINC001592247460 1285201831 /nfs/dbraw/zinc/20/18/31/1285201831.db2.gz HEDHASYDIVQSAF-UHFFFAOYSA-N -1 1 361.329 0.603 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC001592334672 1285245913 /nfs/dbraw/zinc/24/59/13/1285245913.db2.gz DHEMAPAVYAFVON-FZMZJTMJSA-N -1 1 372.433 0.955 20 30 FCEDMM Cc1noc(C)c1CSCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592459713 1285400143 /nfs/dbraw/zinc/40/01/43/1285400143.db2.gz PWUIFRUJTYEZGN-UHFFFAOYSA-N -1 1 359.375 0.938 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N ZINC001592502676 1285428157 /nfs/dbraw/zinc/42/81/57/1285428157.db2.gz VHFDAHHDAGUCFH-UHFFFAOYSA-N -1 1 357.330 0.581 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N ZINC001592502676 1285428160 /nfs/dbraw/zinc/42/81/60/1285428160.db2.gz VHFDAHHDAGUCFH-UHFFFAOYSA-N -1 1 357.330 0.581 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001604831863 1287793047 /nfs/dbraw/zinc/79/30/47/1287793047.db2.gz RILQPELSGSGNGU-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592674827 1285568922 /nfs/dbraw/zinc/56/89/22/1285568922.db2.gz IGFYZXAWGVAVDU-CYBMUJFWSA-N -1 1 352.351 0.045 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592679526 1285577690 /nfs/dbraw/zinc/57/76/90/1285577690.db2.gz SUYZTFRWTZCULV-GHMZBOCLSA-N -1 1 373.446 0.032 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccc(Cn3ccnn3)c2)nc1-c1nn[nH]n1 ZINC001592682360 1285580388 /nfs/dbraw/zinc/58/03/88/1285580388.db2.gz XLSUYIUPFPWZBF-UHFFFAOYSA-N -1 1 361.329 0.354 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccn2Cc2ccncc2)nc1-c1nn[nH]n1 ZINC001592681920 1285580860 /nfs/dbraw/zinc/58/08/60/1285580860.db2.gz MMZQAMVQUDWEHK-UHFFFAOYSA-N -1 1 360.341 0.959 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc3nccnc3cc2F)nc1-c1nn[nH]n1 ZINC001592682244 1285580997 /nfs/dbraw/zinc/58/09/97/1285580997.db2.gz UHXNWZGHHRJXBZ-UHFFFAOYSA-N -1 1 350.277 0.796 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cnc(C3OCCO3)s2)nc1-c1nn[nH]n1 ZINC001592681464 1285581226 /nfs/dbraw/zinc/58/12/26/1285581226.db2.gz DHSYVGOFAUWMFK-UHFFFAOYSA-N -1 1 359.331 0.216 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(OCC(F)(F)F)nn1 ZINC001592684564 1285582631 /nfs/dbraw/zinc/58/26/31/1285582631.db2.gz YPUMJNZSPKRFEC-UHFFFAOYSA-N -1 1 351.252 0.714 20 30 FCEDMM N#Cc1c(NC(=O)c2ccsc2-c2nnn[n-]2)[nH]nc1N1CCOCC1 ZINC001592686488 1285584524 /nfs/dbraw/zinc/58/45/24/1285584524.db2.gz LAWMEBALAGHINB-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1c(NC(=O)c2ccsc2-c2nn[n-]n2)[nH]nc1N1CCOCC1 ZINC001592686488 1285584529 /nfs/dbraw/zinc/58/45/29/1285584529.db2.gz LAWMEBALAGHINB-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cc1 ZINC001592692217 1285586314 /nfs/dbraw/zinc/58/63/14/1285586314.db2.gz UQTJRWQPXFTNAU-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cc1 ZINC001592692217 1285586322 /nfs/dbraw/zinc/58/63/22/1285586322.db2.gz UQTJRWQPXFTNAU-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001592690657 1285586503 /nfs/dbraw/zinc/58/65/03/1285586503.db2.gz QAMYUMIFFYWULP-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001592690657 1285586513 /nfs/dbraw/zinc/58/65/13/1285586513.db2.gz QAMYUMIFFYWULP-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)n1 ZINC001592700660 1285588258 /nfs/dbraw/zinc/58/82/58/1285588258.db2.gz OGZLYMMKQJVLQE-UHFFFAOYSA-N -1 1 358.325 0.966 20 30 FCEDMM N#Cc1nc(N2CCC(CN3CCCCC3=O)CC2)cnc1-c1nnn[n-]1 ZINC001592704244 1285590957 /nfs/dbraw/zinc/59/09/57/1285590957.db2.gz ABBUBDXPFZASMB-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N2CCC(CN3CCCCC3=O)CC2)cnc1-c1nn[n-]n1 ZINC001592704244 1285590965 /nfs/dbraw/zinc/59/09/65/1285590965.db2.gz ABBUBDXPFZASMB-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001592705790 1285593569 /nfs/dbraw/zinc/59/35/69/1285593569.db2.gz DITDQTYIOKLFEE-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1cnc2c(F)ccc(F)c2c1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592704453 1285593963 /nfs/dbraw/zinc/59/39/63/1285593963.db2.gz MLQNPAMAALIVNW-UHFFFAOYSA-N -1 1 368.311 0.690 20 30 FCEDMM N#Cc1nc(NCc2cnc(Br)cn2)cnc1-c1nnn[n-]1 ZINC001592707591 1285594425 /nfs/dbraw/zinc/59/44/25/1285594425.db2.gz OJGICVHSWQCTEU-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM N#Cc1nc(NCc2cnc(Br)cn2)cnc1-c1nn[n-]n1 ZINC001592707591 1285594430 /nfs/dbraw/zinc/59/44/30/1285594430.db2.gz OJGICVHSWQCTEU-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592766967 1285688397 /nfs/dbraw/zinc/68/83/97/1285688397.db2.gz XMIZZHRGFYWKEI-CYBMUJFWSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592766967 1285688403 /nfs/dbraw/zinc/68/84/03/1285688403.db2.gz XMIZZHRGFYWKEI-CYBMUJFWSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592766886 1285689041 /nfs/dbraw/zinc/68/90/41/1285689041.db2.gz VFTNVKNDKSXXHA-UKRRQHHQSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592766886 1285689046 /nfs/dbraw/zinc/68/90/46/1285689046.db2.gz VFTNVKNDKSXXHA-UKRRQHHQSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768293 1285692662 /nfs/dbraw/zinc/69/26/62/1285692662.db2.gz HADSDGUJCPBVDO-OLZOCXBDSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768293 1285692671 /nfs/dbraw/zinc/69/26/71/1285692671.db2.gz HADSDGUJCPBVDO-OLZOCXBDSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001592769252 1285693929 /nfs/dbraw/zinc/69/39/29/1285693929.db2.gz TURWZMAGGKZQOP-OLZOCXBDSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001592769252 1285693940 /nfs/dbraw/zinc/69/39/40/1285693940.db2.gz TURWZMAGGKZQOP-OLZOCXBDSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592769342 1285694557 /nfs/dbraw/zinc/69/45/57/1285694557.db2.gz UFQXNURBPOIZDM-QWHCGFSZSA-N -1 1 352.402 0.331 20 30 FCEDMM N#Cc1nnc2ccccc2c1N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601136283 1286643997 /nfs/dbraw/zinc/64/39/97/1286643997.db2.gz MXBPDTDZSQCNJC-SFHVURJKSA-N -1 1 353.382 0.867 20 30 FCEDMM COc1ccc(-c2nc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)no2)cc1 ZINC001609349581 1289112442 /nfs/dbraw/zinc/11/24/42/1289112442.db2.gz UVKAVFPRWHHQRV-UHFFFAOYSA-N -1 1 364.329 0.624 20 30 FCEDMM C#C[C@@H]1CCCCN1c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1C ZINC001602696172 1287059577 /nfs/dbraw/zinc/05/95/77/1287059577.db2.gz DHGZQEGNTVGSFM-LLVKDONJSA-N -1 1 351.374 0.755 20 30 FCEDMM C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001602697688 1287060314 /nfs/dbraw/zinc/06/03/14/1287060314.db2.gz YUSRFCSBOWNEAJ-SECBINFHSA-N -1 1 353.791 0.543 20 30 FCEDMM C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001602697688 1287060328 /nfs/dbraw/zinc/06/03/28/1287060328.db2.gz YUSRFCSBOWNEAJ-SECBINFHSA-N -1 1 353.791 0.543 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602702389 1287064504 /nfs/dbraw/zinc/06/45/04/1287064504.db2.gz GKPQFUSNLOCJPT-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602702389 1287064512 /nfs/dbraw/zinc/06/45/12/1287064512.db2.gz GKPQFUSNLOCJPT-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602709830 1287067638 /nfs/dbraw/zinc/06/76/38/1287067638.db2.gz KDVQRCMNFFNYPL-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602709830 1287067658 /nfs/dbraw/zinc/06/76/58/1287067658.db2.gz KDVQRCMNFFNYPL-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001602724083 1287081331 /nfs/dbraw/zinc/08/13/31/1287081331.db2.gz ANJGCQFZPBOTLZ-NSHDSACASA-N -1 1 371.401 0.419 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602726911 1287089876 /nfs/dbraw/zinc/08/98/76/1287089876.db2.gz UIUWDPXSSSGQKM-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602726911 1287089884 /nfs/dbraw/zinc/08/98/84/1287089884.db2.gz UIUWDPXSSSGQKM-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602727365 1287091783 /nfs/dbraw/zinc/09/17/83/1287091783.db2.gz ODIDXAMMCCAPHF-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602727365 1287091792 /nfs/dbraw/zinc/09/17/92/1287091792.db2.gz ODIDXAMMCCAPHF-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602727491 1287093722 /nfs/dbraw/zinc/09/37/22/1287093722.db2.gz OLPWFZUZJZQGIC-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602727491 1287093735 /nfs/dbraw/zinc/09/37/35/1287093735.db2.gz OLPWFZUZJZQGIC-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001602727811 1287094487 /nfs/dbraw/zinc/09/44/87/1287094487.db2.gz TVWLDCSMRSQMMJ-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001602727811 1287094494 /nfs/dbraw/zinc/09/44/94/1287094494.db2.gz TVWLDCSMRSQMMJ-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602727799 1287094683 /nfs/dbraw/zinc/09/46/83/1287094683.db2.gz SRSJOQHXHOQNMK-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602727799 1287094689 /nfs/dbraw/zinc/09/46/89/1287094689.db2.gz SRSJOQHXHOQNMK-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602727637 1287095179 /nfs/dbraw/zinc/09/51/79/1287095179.db2.gz QWWNZGRBQFFFED-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602727637 1287095184 /nfs/dbraw/zinc/09/51/84/1287095184.db2.gz QWWNZGRBQFFFED-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602729378 1287097770 /nfs/dbraw/zinc/09/77/70/1287097770.db2.gz PVINDCJOFWXBDQ-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602729378 1287097775 /nfs/dbraw/zinc/09/77/75/1287097775.db2.gz PVINDCJOFWXBDQ-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001602729567 1287097802 /nfs/dbraw/zinc/09/78/02/1287097802.db2.gz XDSBUEQEHOLELJ-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001602729567 1287097810 /nfs/dbraw/zinc/09/78/10/1287097810.db2.gz XDSBUEQEHOLELJ-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001602756439 1287104988 /nfs/dbraw/zinc/10/49/88/1287104988.db2.gz NPJBTOFPWSNWKU-PWSUYJOCSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001602756439 1287104992 /nfs/dbraw/zinc/10/49/92/1287104992.db2.gz NPJBTOFPWSNWKU-PWSUYJOCSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 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/nfs/dbraw/zinc/10/91/00/1287109100.db2.gz OEIDVPZBCODLOT-DYEKYZERSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001602783366 1287113686 /nfs/dbraw/zinc/11/36/86/1287113686.db2.gz JGWPOHBQNAIWDC-QGZVFWFLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)nn1 ZINC001602793098 1287119343 /nfs/dbraw/zinc/11/93/43/1287119343.db2.gz KJTRMSGRMSIWFO-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)nn1 ZINC001602793098 1287119349 /nfs/dbraw/zinc/11/93/49/1287119349.db2.gz KJTRMSGRMSIWFO-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602795958 1287121084 /nfs/dbraw/zinc/12/10/84/1287121084.db2.gz XRERJFNLSPVNKL-SJKOYZFVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602795958 1287121089 /nfs/dbraw/zinc/12/10/89/1287121089.db2.gz XRERJFNLSPVNKL-SJKOYZFVSA-N -1 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ZINC001573286982 946822680 /nfs/dbraw/zinc/82/26/80/946822680.db2.gz JTLPHTRHFPDCQK-QWHCGFSZSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573286982 946822691 /nfs/dbraw/zinc/82/26/91/946822691.db2.gz JTLPHTRHFPDCQK-QWHCGFSZSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573287636 946844569 /nfs/dbraw/zinc/84/45/69/946844569.db2.gz OOJJZOYISAMHMJ-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573287636 946844583 /nfs/dbraw/zinc/84/45/83/946844583.db2.gz OOJJZOYISAMHMJ-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573288475 946866679 /nfs/dbraw/zinc/86/66/79/946866679.db2.gz URMZPEGFDCYMFG-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573288475 946866695 /nfs/dbraw/zinc/86/66/95/946866695.db2.gz URMZPEGFDCYMFG-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573288624 946873313 /nfs/dbraw/zinc/87/33/13/946873313.db2.gz WMPCENNEXPGFQW-JTQLQIEISA-N -1 1 363.447 0.930 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001573288626 946874930 /nfs/dbraw/zinc/87/49/30/946874930.db2.gz WMPCENNEXPGFQW-SNVBAGLBSA-N -1 1 363.447 0.930 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573289590 946889730 /nfs/dbraw/zinc/88/97/30/946889730.db2.gz OEKBFGITWBRPSS-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573289590 946889738 /nfs/dbraw/zinc/88/97/38/946889738.db2.gz OEKBFGITWBRPSS-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1)OCC ZINC001573292829 946940404 /nfs/dbraw/zinc/94/04/04/946940404.db2.gz DHQCDCNKDMORED-OCCSQVGLSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1)OCC ZINC001573292829 946940408 /nfs/dbraw/zinc/94/04/08/946940408.db2.gz DHQCDCNKDMORED-OCCSQVGLSA-N -1 1 374.449 0.969 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573561205 946959563 /nfs/dbraw/zinc/95/95/63/946959563.db2.gz JDXVPQCUBWLKFE-RNFRBKRXSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573561205 946959573 /nfs/dbraw/zinc/95/95/73/946959573.db2.gz JDXVPQCUBWLKFE-RNFRBKRXSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573562127 946970668 /nfs/dbraw/zinc/97/06/68/946970668.db2.gz QXFYXZLEMMNJHU-NKWVEPMBSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573562127 946970678 /nfs/dbraw/zinc/97/06/78/946970678.db2.gz QXFYXZLEMMNJHU-NKWVEPMBSA-N -1 1 370.826 0.367 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573294874 947003472 /nfs/dbraw/zinc/00/34/72/947003472.db2.gz LEHIVOPRUXEFIE-OBJOEFQTSA-N -1 1 372.433 0.897 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573294874 947003482 /nfs/dbraw/zinc/00/34/82/947003482.db2.gz LEHIVOPRUXEFIE-OBJOEFQTSA-N -1 1 372.433 0.897 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573565304 947004195 /nfs/dbraw/zinc/00/41/95/947004195.db2.gz PZHKETHKAXRJKK-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C=C(Cl)C[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OCC ZINC001573295458 947019678 /nfs/dbraw/zinc/01/96/78/947019678.db2.gz PUTXRJKRKFZNRJ-JTQLQIEISA-N -1 1 368.781 0.896 20 30 FCEDMM C=C(Cl)C[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OCC ZINC001573295458 947019689 /nfs/dbraw/zinc/01/96/89/947019689.db2.gz PUTXRJKRKFZNRJ-JTQLQIEISA-N -1 1 368.781 0.896 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573566951 947033803 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NTZLMAYGSYDYKN-NWDGAFQWSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573567600 947048054 /nfs/dbraw/zinc/04/80/54/947048054.db2.gz PKCIECXAZPXMSG-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573567600 947048066 /nfs/dbraw/zinc/04/80/66/947048066.db2.gz PKCIECXAZPXMSG-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573567570 947049482 /nfs/dbraw/zinc/04/94/82/947049482.db2.gz OTVYHFSRQPSMQR-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573567570 947049492 /nfs/dbraw/zinc/04/94/92/947049492.db2.gz OTVYHFSRQPSMQR-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573567790 947053458 /nfs/dbraw/zinc/05/34/58/947053458.db2.gz SOESBTDUVOWWKA-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573567790 947053464 /nfs/dbraw/zinc/05/34/64/947053464.db2.gz SOESBTDUVOWWKA-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573568010 947061333 /nfs/dbraw/zinc/06/13/33/947061333.db2.gz WKJKKDYRGJOKCC-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573568010 947061343 /nfs/dbraw/zinc/06/13/43/947061343.db2.gz WKJKKDYRGJOKCC-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573568089 947065935 /nfs/dbraw/zinc/06/59/35/947065935.db2.gz XODRNQFOEGHXPN-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573568089 947065946 /nfs/dbraw/zinc/06/59/46/947065946.db2.gz XODRNQFOEGHXPN-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573569515 947069714 /nfs/dbraw/zinc/06/97/14/947069714.db2.gz AHQWHDQNDQUQJO-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573569515 947069723 /nfs/dbraw/zinc/06/97/23/947069723.db2.gz AHQWHDQNDQUQJO-WOPDTQHZSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573569579 947074465 /nfs/dbraw/zinc/07/44/65/947074465.db2.gz BPSBMBOSCBXNSH-UTUOFQBUSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573569579 947074474 /nfs/dbraw/zinc/07/44/74/947074474.db2.gz BPSBMBOSCBXNSH-UTUOFQBUSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573570675 947091808 /nfs/dbraw/zinc/09/18/08/947091808.db2.gz RSZOEFLWDZUPDC-TUAOUCFPSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573570675 947091819 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1207487249 /nfs/dbraw/zinc/48/72/49/1207487249.db2.gz CEIUMWPXLKZSME-UHFFFAOYSA-N -1 1 352.314 0.947 20 30 FCEDMM C#C[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)[C@H]1CCCO1 ZINC000775338308 1207633551 /nfs/dbraw/zinc/63/35/51/1207633551.db2.gz BRSPJDBHAZRFDI-HZPDHXFCSA-N -1 1 374.441 0.557 20 30 FCEDMM CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001110467862 1208008819 /nfs/dbraw/zinc/00/88/19/1208008819.db2.gz LKQNCZGZIMAFNK-KFWWJZLASA-N -1 1 371.441 0.884 20 30 FCEDMM C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000776475581 1209457916 /nfs/dbraw/zinc/45/79/16/1209457916.db2.gz VBUNBSKTPZZPLY-UHFFFAOYSA-N -1 1 369.343 0.918 20 30 FCEDMM COc1cc2[n-]cc(C(=O)N[C@H]3CCCN(O)C3=O)c(=O)c2c(OC)c1 ZINC000861827065 1209884776 /nfs/dbraw/zinc/88/47/76/1209884776.db2.gz DJKGIQOHWAVTDH-NSHDSACASA-N -1 1 361.354 0.655 20 30 FCEDMM C#CC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)C(=O)OC ZINC000861950791 1209889688 /nfs/dbraw/zinc/88/96/88/1209889688.db2.gz KNUUTEAXSLERTB-GFCCVEGCSA-N -1 1 358.350 0.840 20 30 FCEDMM C#CCNC(=O)CN1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000825968794 1210445551 /nfs/dbraw/zinc/44/55/51/1210445551.db2.gz YSHQOLWVAACDNH-UHFFFAOYSA-N -1 1 352.394 0.448 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000960285026 1213695188 /nfs/dbraw/zinc/69/51/88/1213695188.db2.gz DGAGMMLZUUPBQQ-BFJAYTPKSA-N -1 1 373.409 0.430 20 30 FCEDMM C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962441997 1214570814 /nfs/dbraw/zinc/57/08/14/1214570814.db2.gz VPFQEKXWBQZJOY-DOMZBBRYSA-N -1 1 356.382 0.390 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)c1ncccc1[O-] ZINC000964356972 1214952552 /nfs/dbraw/zinc/95/25/52/1214952552.db2.gz JBGJBDBNQZRQKQ-NFAWXSAZSA-N -1 1 361.398 0.336 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001222393038 1225622897 /nfs/dbraw/zinc/62/28/97/1225622897.db2.gz WJSNDEHWRXBVQY-KFWWJZLASA-N -1 1 363.462 0.512 20 30 FCEDMM 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/nfs/dbraw/zinc/84/48/81/1225844881.db2.gz PKJZCZSJCHXRHT-UHFFFAOYSA-N -1 1 361.398 0.298 20 30 FCEDMM C=C[C@@H]1O[C@H](Oc2cc(=O)[n-]c(N3CCOCC3)n2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226727955 1225853169 /nfs/dbraw/zinc/85/31/69/1225853169.db2.gz KMNRWSWLMLSKFB-FBUXBERBSA-N -1 1 365.386 0.829 20 30 FCEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784215168 1221234450 /nfs/dbraw/zinc/23/44/50/1221234450.db2.gz ARIIQKFWRPGSAZ-UHFFFAOYSA-N -1 1 357.370 0.700 20 30 FCEDMM Cn1c(=O)[n-]c(N2CCCN(Cc3ccc(F)cc3)CC2)c(C#N)c1=O ZINC001120796635 1222121471 /nfs/dbraw/zinc/12/14/71/1222121471.db2.gz CQTRIPZOQFLUOA-UHFFFAOYSA-N -1 1 357.389 0.797 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000993633012 1249879205 /nfs/dbraw/zinc/87/92/05/1249879205.db2.gz SOEUWMGTZHFHKW-YNEHKIRRSA-N -1 1 368.397 0.405 20 30 FCEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001330614250 1266071721 /nfs/dbraw/zinc/07/17/21/1266071721.db2.gz LFZWJAZVIVQKRL-LGMDPLHJSA-N -1 1 359.386 0.870 20 30 FCEDMM O=C(N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O)c1ncccc1[O-] ZINC001083423109 1257454741 /nfs/dbraw/zinc/45/47/41/1257454741.db2.gz FQDYYCXJQUKPPH-WBVHZDCISA-N -1 1 355.369 0.753 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001084798335 1258338185 /nfs/dbraw/zinc/33/81/85/1258338185.db2.gz KDRJULMBCDRYTI-IAGOWNOFSA-N -1 1 365.437 0.365 20 30 FCEDMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)nc1=O ZINC001084923171 1258439035 /nfs/dbraw/zinc/43/90/35/1258439035.db2.gz BQHCQOCRCCRBSV-RISCZKNCSA-N -1 1 355.402 0.045 20 30 FCEDMM C=CCNC(=O)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001337327650 1260370688 /nfs/dbraw/zinc/37/06/88/1260370688.db2.gz OADICAVAEMUZIP-UHFFFAOYSA-N -1 1 355.398 0.904 20 30 FCEDMM N#CCC1CN(C(=O)c2[nH]nc3c2CN(C(=O)c2ccncc2[O-])C3)C1 ZINC001278496845 1260700689 /nfs/dbraw/zinc/70/06/89/1260700689.db2.gz LHLIYINLIWFBSG-UHFFFAOYSA-N -1 1 352.354 0.652 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001580316044 1278116112 /nfs/dbraw/zinc/11/61/12/1278116112.db2.gz PKEBBKNIIJUEPH-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001580316044 1278116115 /nfs/dbraw/zinc/11/61/15/1278116115.db2.gz PKEBBKNIIJUEPH-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3ccc(OCC#N)cc3)ccnc1-2 ZINC001326786574 1265165240 /nfs/dbraw/zinc/16/52/40/1265165240.db2.gz NSWYKXUYIBMZEG-UHFFFAOYSA-N -1 1 350.338 0.821 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001580597835 1278555573 /nfs/dbraw/zinc/55/55/73/1278555573.db2.gz MREIDZXLRADYIR-NSHDSACASA-N -1 1 354.374 0.088 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001580628843 1278578215 /nfs/dbraw/zinc/57/82/15/1278578215.db2.gz MMJFZSUKRQSTAB-UHFFFAOYSA-N -1 1 366.429 0.806 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001580628843 1278578227 /nfs/dbraw/zinc/57/82/27/1278578227.db2.gz MMJFZSUKRQSTAB-UHFFFAOYSA-N -1 1 366.429 0.806 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573946758 1270953776 /nfs/dbraw/zinc/95/37/76/1270953776.db2.gz KLPPEVORBKTYTG-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM CC(C)C#CC(=O)NCCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573946758 1270953780 /nfs/dbraw/zinc/95/37/80/1270953780.db2.gz KLPPEVORBKTYTG-UHFFFAOYSA-N -1 1 366.429 0.959 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573946772 1270954290 /nfs/dbraw/zinc/95/42/90/1270954290.db2.gz KRZODZXIFAZFQL-MRVPVSSYSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573946772 1270954296 /nfs/dbraw/zinc/95/42/96/1270954296.db2.gz KRZODZXIFAZFQL-MRVPVSSYSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574050758 1271036352 /nfs/dbraw/zinc/03/63/52/1271036352.db2.gz ZLBHMQPQKVTBAD-LBPRGKRZSA-N -1 1 366.389 0.145 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574052422 1271037513 /nfs/dbraw/zinc/03/75/13/1271037513.db2.gz TVZZSTBQTHNLHC-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574052422 1271037517 /nfs/dbraw/zinc/03/75/17/1271037517.db2.gz TVZZSTBQTHNLHC-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580639030 1278609294 /nfs/dbraw/zinc/60/92/94/1278609294.db2.gz BCGNCAAVZVHGIM-UHFFFAOYSA-N -1 1 366.389 0.373 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580639030 1278609306 /nfs/dbraw/zinc/60/93/06/1278609306.db2.gz BCGNCAAVZVHGIM-UHFFFAOYSA-N -1 1 366.389 0.373 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541664 1271319161 /nfs/dbraw/zinc/31/91/61/1271319161.db2.gz JQKJGJJCPVVVLX-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574541664 1271319165 /nfs/dbraw/zinc/31/91/65/1271319165.db2.gz JQKJGJJCPVVVLX-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574543113 1271323750 /nfs/dbraw/zinc/32/37/50/1271323750.db2.gz PKFIZIJVDIRAEJ-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574543113 1271323753 /nfs/dbraw/zinc/32/37/53/1271323753.db2.gz PKFIZIJVDIRAEJ-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546662 1271335439 /nfs/dbraw/zinc/33/54/39/1271335439.db2.gz ZIKMAQMDCFVLOO-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574546662 1271335450 /nfs/dbraw/zinc/33/54/50/1271335450.db2.gz ZIKMAQMDCFVLOO-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580651085 1278631943 /nfs/dbraw/zinc/63/19/43/1278631943.db2.gz WSFJUJPOTWLTKE-JOYOIKCWSA-N -1 1 355.406 0.456 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001580651085 1278631959 /nfs/dbraw/zinc/63/19/59/1278631959.db2.gz WSFJUJPOTWLTKE-JOYOIKCWSA-N -1 1 355.406 0.456 20 30 FCEDMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574665243 1271467813 /nfs/dbraw/zinc/46/78/13/1271467813.db2.gz QMNYYRYDKULIHF-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574665243 1271467819 /nfs/dbraw/zinc/46/78/19/1271467819.db2.gz QMNYYRYDKULIHF-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575313358 1271907660 /nfs/dbraw/zinc/90/76/60/1271907660.db2.gz FUGWJVZFFROKSP-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575313358 1271907668 /nfs/dbraw/zinc/90/76/68/1271907668.db2.gz FUGWJVZFFROKSP-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001575702592 1272326414 /nfs/dbraw/zinc/32/64/14/1272326414.db2.gz KWZRDCHNVCOABO-LLVKDONJSA-N -1 1 373.446 0.562 20 30 FCEDMM CC1(C)CN(C(=O)CSCC#N)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001575702592 1272326426 /nfs/dbraw/zinc/32/64/26/1272326426.db2.gz KWZRDCHNVCOABO-LLVKDONJSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@]1(C2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)COC(=O)N1 ZINC001575752987 1272416571 /nfs/dbraw/zinc/41/65/71/1272416571.db2.gz VKKAJZPJJRUHLT-HNNXBMFYSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@@]1(C2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)COC(=O)N1 ZINC001575752987 1272416573 /nfs/dbraw/zinc/41/65/73/1272416573.db2.gz VKKAJZPJJRUHLT-HNNXBMFYSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)COC(=O)N1 ZINC001575752381 1272416622 /nfs/dbraw/zinc/41/66/22/1272416622.db2.gz GHVYWZFUPPQRBH-RFAUZJTJSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)COC(=O)N1 ZINC001575752381 1272416623 /nfs/dbraw/zinc/41/66/23/1272416623.db2.gz GHVYWZFUPPQRBH-RFAUZJTJSA-N -1 1 355.362 0.243 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685603 1278712221 /nfs/dbraw/zinc/71/22/21/1278712221.db2.gz UPRUDILACLKDGF-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685603 1278712226 /nfs/dbraw/zinc/71/22/26/1278712226.db2.gz UPRUDILACLKDGF-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576286476 1273097949 /nfs/dbraw/zinc/09/79/49/1273097949.db2.gz CZGDGICMIMXLFB-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576286476 1273097960 /nfs/dbraw/zinc/09/79/60/1273097960.db2.gz CZGDGICMIMXLFB-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN=C(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)S1 ZINC001576364034 1273185402 /nfs/dbraw/zinc/18/54/02/1273185402.db2.gz JNOKMODFQRDHQZ-VIFPVBQESA-N -1 1 356.419 0.142 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCN1CC(F)(F)F ZINC001576363500 1273185509 /nfs/dbraw/zinc/18/55/09/1273185509.db2.gz GDTOMLJNSMYDOC-MRVPVSSYSA-N -1 1 353.312 0.601 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCN1CC(F)(F)F ZINC001576363500 1273185517 /nfs/dbraw/zinc/18/55/17/1273185517.db2.gz GDTOMLJNSMYDOC-MRVPVSSYSA-N -1 1 353.312 0.601 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001576861487 1273824384 /nfs/dbraw/zinc/82/43/84/1273824384.db2.gz DLKIBFJNIQZUPJ-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001576861487 1273824386 /nfs/dbraw/zinc/82/43/86/1273824386.db2.gz DLKIBFJNIQZUPJ-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576869184 1273844127 /nfs/dbraw/zinc/84/41/27/1273844127.db2.gz YPNMJHCADSBWNH-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576869184 1273844138 /nfs/dbraw/zinc/84/41/38/1273844138.db2.gz YPNMJHCADSBWNH-JTQLQIEISA-N -1 1 352.362 0.477 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577522732 1274469142 /nfs/dbraw/zinc/46/91/42/1274469142.db2.gz HYQNAQDEWNDFCN-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577522732 1274469145 /nfs/dbraw/zinc/46/91/45/1274469145.db2.gz HYQNAQDEWNDFCN-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577523303 1274469411 /nfs/dbraw/zinc/46/94/11/1274469411.db2.gz QKJUJKVTFBHFNT-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577523303 1274469419 /nfs/dbraw/zinc/46/94/19/1274469419.db2.gz QKJUJKVTFBHFNT-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nnn[n-]1 ZINC001577623646 1274603277 /nfs/dbraw/zinc/60/32/77/1274603277.db2.gz MWKZPKINBSRIAN-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nn[n-]n1 ZINC001577623646 1274603282 /nfs/dbraw/zinc/60/32/82/1274603282.db2.gz MWKZPKINBSRIAN-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)n1 ZINC001580764428 1278891611 /nfs/dbraw/zinc/89/16/11/1278891611.db2.gz UVZHKNLCLYSTDE-SECBINFHSA-N -1 1 365.361 0.023 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)C2)n1 ZINC001580764428 1278891623 /nfs/dbraw/zinc/89/16/23/1278891623.db2.gz UVZHKNLCLYSTDE-SECBINFHSA-N -1 1 365.361 0.023 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001578571728 1276003587 /nfs/dbraw/zinc/00/35/87/1276003587.db2.gz WRPQDYVVJWLUFI-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001578571728 1276003591 /nfs/dbraw/zinc/00/35/91/1276003591.db2.gz WRPQDYVVJWLUFI-UHFFFAOYSA-N -1 1 366.389 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578580451 1276013874 /nfs/dbraw/zinc/01/38/74/1276013874.db2.gz GOMXECGESJQZDD-QWRGUYRKSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)[C@@H](C)C#N)C2)n1 ZINC001578580451 1276013879 /nfs/dbraw/zinc/01/38/79/1276013879.db2.gz GOMXECGESJQZDD-QWRGUYRKSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C2)n1 ZINC001578582663 1276015228 /nfs/dbraw/zinc/01/52/28/1276015228.db2.gz BAEIDIRDTLZZSG-VXGBXAGGSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C2)n1 ZINC001578582663 1276015233 /nfs/dbraw/zinc/01/52/33/1276015233.db2.gz BAEIDIRDTLZZSG-VXGBXAGGSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588010 1276020618 /nfs/dbraw/zinc/02/06/18/1276020618.db2.gz AZTCZEWCOPTTEM-MNOVXSKESA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588010 1276020625 /nfs/dbraw/zinc/02/06/25/1276020625.db2.gz AZTCZEWCOPTTEM-MNOVXSKESA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001578589562 1276022851 /nfs/dbraw/zinc/02/28/51/1276022851.db2.gz VGKCYLOOLNKCOQ-NSHDSACASA-N -1 1 355.406 0.417 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001578589562 1276022854 /nfs/dbraw/zinc/02/28/54/1276022854.db2.gz VGKCYLOOLNKCOQ-NSHDSACASA-N -1 1 355.406 0.417 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C#CC(C)C)C2)n1 ZINC001578594037 1276025576 /nfs/dbraw/zinc/02/55/76/1276025576.db2.gz QIOVMWDPQLOLJM-GFCCVEGCSA-N -1 1 354.418 0.573 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C#CC(C)C)C2)n1 ZINC001578594037 1276025584 /nfs/dbraw/zinc/02/55/84/1276025584.db2.gz QIOVMWDPQLOLJM-GFCCVEGCSA-N -1 1 354.418 0.573 20 30 FCEDMM CCc1nc(NC2CC(N(C)C(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578640278 1276088643 /nfs/dbraw/zinc/08/86/43/1276088643.db2.gz QPDMLAZHAJTBQN-WHXUTIOJSA-N -1 1 355.406 0.780 20 30 FCEDMM CCc1nc(NC2CC(N(C)C(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578640278 1276088646 /nfs/dbraw/zinc/08/86/46/1276088646.db2.gz QPDMLAZHAJTBQN-WHXUTIOJSA-N -1 1 355.406 0.780 20 30 FCEDMM CCc1nc(NC2CCN(C(=O)[C@@H](C)C#N)CC2)cc(-c2nnn[n-]2)n1 ZINC001578642869 1276090368 /nfs/dbraw/zinc/09/03/68/1276090368.db2.gz UKGOGOQYAPRLEX-JTQLQIEISA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC2CCN(C(=O)[C@@H](C)C#N)CC2)cc(-c2nn[n-]n2)n1 ZINC001578642869 1276090369 /nfs/dbraw/zinc/09/03/69/1276090369.db2.gz UKGOGOQYAPRLEX-JTQLQIEISA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578912017 1276451072 /nfs/dbraw/zinc/45/10/72/1276451072.db2.gz UICWCWSIMBNAPF-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578912017 1276451074 /nfs/dbraw/zinc/45/10/74/1276451074.db2.gz UICWCWSIMBNAPF-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579092812 1276736098 /nfs/dbraw/zinc/73/60/98/1276736098.db2.gz JFIWDQWJBWJLJQ-SNVBAGLBSA-N -1 1 371.405 0.974 20 30 FCEDMM CN(C[C@H]1CCN1C(=O)OC(C)(C)C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579092812 1276736107 /nfs/dbraw/zinc/73/61/07/1276736107.db2.gz JFIWDQWJBWJLJQ-SNVBAGLBSA-N -1 1 371.405 0.974 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nnn[n-]1 ZINC001579124453 1276807086 /nfs/dbraw/zinc/80/70/86/1276807086.db2.gz KCYUMKLNPDQDIY-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nn[n-]n1 ZINC001579124453 1276807104 /nfs/dbraw/zinc/80/71/04/1276807104.db2.gz KCYUMKLNPDQDIY-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1CC#N ZINC001579131197 1276820979 /nfs/dbraw/zinc/82/09/79/1276820979.db2.gz ZEEISHLKVRMPJF-UHFFFAOYSA-N -1 1 365.401 0.943 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1CC#N ZINC001579131197 1276820999 /nfs/dbraw/zinc/82/09/99/1276820999.db2.gz ZEEISHLKVRMPJF-UHFFFAOYSA-N -1 1 365.401 0.943 20 30 FCEDMM CN(Cc1cn(C)nc1C(F)(F)F)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579261231 1277057468 /nfs/dbraw/zinc/05/74/68/1277057468.db2.gz RJOQJXNIISAPQB-UHFFFAOYSA-N -1 1 364.295 0.917 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579276444 1277085808 /nfs/dbraw/zinc/08/58/08/1277085808.db2.gz VOQZRAZPRUHTQH-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579276444 1277085812 /nfs/dbraw/zinc/08/58/12/1277085812.db2.gz VOQZRAZPRUHTQH-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM COc1cc(C#N)ccc1OCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001579890622 1277951520 /nfs/dbraw/zinc/95/15/20/1277951520.db2.gz VCHXHWNSVBNUKB-UHFFFAOYSA-N -1 1 365.353 0.837 20 30 FCEDMM COc1cc(C#N)ccc1OCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001579890622 1277951523 /nfs/dbraw/zinc/95/15/23/1277951523.db2.gz VCHXHWNSVBNUKB-UHFFFAOYSA-N -1 1 365.353 0.837 20 30 FCEDMM COc1ccc(OC)c([C@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001580048630 1277998748 /nfs/dbraw/zinc/99/87/48/1277998748.db2.gz ONYTTYRMUPCDKG-GFCCVEGCSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1ccc(OC)c([C@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001580048630 1277998754 /nfs/dbraw/zinc/99/87/54/1277998754.db2.gz ONYTTYRMUPCDKG-GFCCVEGCSA-N -1 1 368.357 0.691 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189454 1287326721 /nfs/dbraw/zinc/32/67/21/1287326721.db2.gz MAHMXZVZXZDDKR-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189454 1287326725 /nfs/dbraw/zinc/32/67/25/1287326725.db2.gz MAHMXZVZXZDDKR-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603189632 1287326764 /nfs/dbraw/zinc/32/67/64/1287326764.db2.gz QOVCRHKBWCDPBM-ZDUSSCGKSA-N -1 1 354.418 0.601 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603189632 1287326767 /nfs/dbraw/zinc/32/67/67/1287326767.db2.gz QOVCRHKBWCDPBM-ZDUSSCGKSA-N -1 1 354.418 0.601 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001603459261 1287378619 /nfs/dbraw/zinc/37/86/19/1287378619.db2.gz TVOLVHCIUXHRQF-NXEZZACHSA-N -1 1 361.435 0.031 20 30 FCEDMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603536747 1287414013 /nfs/dbraw/zinc/41/40/13/1287414013.db2.gz WYRUZDGZSBZSBX-SECBINFHSA-N -1 1 359.394 0.878 20 30 FCEDMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603536748 1287414312 /nfs/dbraw/zinc/41/43/12/1287414312.db2.gz WYRUZDGZSBZSBX-VIFPVBQESA-N -1 1 359.394 0.878 20 30 FCEDMM Cn1c(=O)cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc21 ZINC001581748894 1280451450 /nfs/dbraw/zinc/45/14/50/1280451450.db2.gz ZOLHEBZDNCJSQV-UHFFFAOYSA-N -1 1 361.325 0.566 20 30 FCEDMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001603565473 1287427964 /nfs/dbraw/zinc/42/79/64/1287427964.db2.gz YJTQRLUSNAWRFI-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001603565473 1287427968 /nfs/dbraw/zinc/42/79/68/1287427968.db2.gz YJTQRLUSNAWRFI-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM Cn1ncc(Br)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581825098 1280570517 /nfs/dbraw/zinc/57/05/17/1280570517.db2.gz YSIFPGOEMVQANM-UHFFFAOYSA-N -1 1 363.139 0.210 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001581838664 1280592923 /nfs/dbraw/zinc/59/29/23/1280592923.db2.gz ZXVFIZGNOOTQLT-CABZTGNLSA-N -1 1 352.362 0.594 20 30 FCEDMM N#C[C@]12CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]1CS(=O)(=O)C2 ZINC001581860010 1280610731 /nfs/dbraw/zinc/61/07/31/1280610731.db2.gz GZZBQNDFKYXDFY-UPONEAKYSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H](n2ccnc2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581860084 1280610992 /nfs/dbraw/zinc/61/09/92/1280610992.db2.gz KEARUQUHLIMLLF-SSDOTTSWSA-N -1 1 366.267 0.790 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001581860500 1280612233 /nfs/dbraw/zinc/61/22/33/1280612233.db2.gz CXPJNFRANUWHEO-UHFFFAOYSA-N -1 1 361.728 0.948 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2ccc3c(c2)OC(F)(F)O3)nc1-c1nn[nH]n1 ZINC001581860412 1280613310 /nfs/dbraw/zinc/61/33/10/1280613310.db2.gz YZSHNRAUFFGORE-UHFFFAOYSA-N -1 1 374.267 0.964 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001581863385 1280615558 /nfs/dbraw/zinc/61/55/58/1280615558.db2.gz LRLLXSDBQNFBGG-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001581863385 1280615564 /nfs/dbraw/zinc/61/55/64/1280615564.db2.gz LRLLXSDBQNFBGG-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864131 1280616690 /nfs/dbraw/zinc/61/66/90/1280616690.db2.gz HUWLHFZJRITCCA-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864131 1280616695 /nfs/dbraw/zinc/61/66/95/1280616695.db2.gz HUWLHFZJRITCCA-LLVKDONJSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)co1 ZINC001581864789 1280617824 /nfs/dbraw/zinc/61/78/24/1280617824.db2.gz OHGVNFFJPPQETP-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)co1 ZINC001581864789 1280617836 /nfs/dbraw/zinc/61/78/36/1280617836.db2.gz OHGVNFFJPPQETP-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c[nH]1 ZINC001581865951 1280621296 /nfs/dbraw/zinc/62/12/96/1280621296.db2.gz PWFYNZFPHHHSFP-CYBMUJFWSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c[nH]1 ZINC001581865951 1280621302 /nfs/dbraw/zinc/62/13/02/1280621302.db2.gz PWFYNZFPHHHSFP-CYBMUJFWSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581867356 1280622798 /nfs/dbraw/zinc/62/27/98/1280622798.db2.gz FGEMHINDDOFWMZ-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581867356 1280622803 /nfs/dbraw/zinc/62/28/03/1280622803.db2.gz FGEMHINDDOFWMZ-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)[nH]1 ZINC001581867620 1280623386 /nfs/dbraw/zinc/62/33/86/1280623386.db2.gz OZDDFIWHUAMPKF-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)[nH]1 ZINC001581867620 1280623389 /nfs/dbraw/zinc/62/33/89/1280623389.db2.gz OZDDFIWHUAMPKF-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001581867560 1280624018 /nfs/dbraw/zinc/62/40/18/1280624018.db2.gz NGNKKDOEHKAMQC-UHFFFAOYSA-N -1 1 368.382 0.241 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001581867560 1280624029 /nfs/dbraw/zinc/62/40/29/1280624029.db2.gz NGNKKDOEHKAMQC-UHFFFAOYSA-N -1 1 368.382 0.241 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581869016 1280625206 /nfs/dbraw/zinc/62/52/06/1280625206.db2.gz DHNVIKSJFVSADT-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581869016 1280625211 /nfs/dbraw/zinc/62/52/11/1280625211.db2.gz DHNVIKSJFVSADT-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)c1 ZINC001581874704 1280628440 /nfs/dbraw/zinc/62/84/40/1280628440.db2.gz CYSXKVIFFIDRBY-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1cccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)c1 ZINC001581874704 1280628443 /nfs/dbraw/zinc/62/84/43/1280628443.db2.gz CYSXKVIFFIDRBY-AWEZNQCLSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001581873780 1280630138 /nfs/dbraw/zinc/63/01/38/1280630138.db2.gz PFJQWAKLKUOCKP-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001581873780 1280630146 /nfs/dbraw/zinc/63/01/46/1280630146.db2.gz PFJQWAKLKUOCKP-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001581876322 1280632363 /nfs/dbraw/zinc/63/23/63/1280632363.db2.gz MJBFMXIUKCKURC-UHFFFAOYSA-N -1 1 372.352 0.895 20 30 FCEDMM N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001581876322 1280632372 /nfs/dbraw/zinc/63/23/72/1280632372.db2.gz MJBFMXIUKCKURC-UHFFFAOYSA-N -1 1 372.352 0.895 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2ccc(F)cc2)cnc1-c1nnn[n-]1 ZINC001581880640 1280639990 /nfs/dbraw/zinc/63/99/90/1280639990.db2.gz QRBIYFKOUXZFQH-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2ccc(F)cc2)cnc1-c1nn[n-]n1 ZINC001581880640 1280639999 /nfs/dbraw/zinc/63/99/99/1280639999.db2.gz QRBIYFKOUXZFQH-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880574 1280640128 /nfs/dbraw/zinc/64/01/28/1280640128.db2.gz OXICUZBMHVUMOF-GFCCVEGCSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880574 1280640138 /nfs/dbraw/zinc/64/01/38/1280640138.db2.gz OXICUZBMHVUMOF-GFCCVEGCSA-N -1 1 361.369 0.741 20 30 FCEDMM N#Cc1nc(NCc2cc(=O)[nH]c(C3CCC3)n2)cnc1-c1nnn[n-]1 ZINC001581881092 1280640783 /nfs/dbraw/zinc/64/07/83/1280640783.db2.gz JHDPTEMQDOYVSN-UHFFFAOYSA-N -1 1 350.346 0.904 20 30 FCEDMM N#Cc1nc(NCc2cc(=O)[nH]c(C3CCC3)n2)cnc1-c1nn[n-]n1 ZINC001581881092 1280640789 /nfs/dbraw/zinc/64/07/89/1280640789.db2.gz JHDPTEMQDOYVSN-UHFFFAOYSA-N -1 1 350.346 0.904 20 30 FCEDMM N#Cc1nc(NCc2ccc3c(c2)CCS3(=O)=O)cnc1-c1nnn[n-]1 ZINC001581881286 1280641272 /nfs/dbraw/zinc/64/12/72/1280641272.db2.gz UMEFBBVPWBASFJ-UHFFFAOYSA-N -1 1 368.382 0.470 20 30 FCEDMM N#Cc1nc(NCc2ccc3c(c2)CCS3(=O)=O)cnc1-c1nn[n-]n1 ZINC001581881286 1280641282 /nfs/dbraw/zinc/64/12/82/1280641282.db2.gz UMEFBBVPWBASFJ-UHFFFAOYSA-N -1 1 368.382 0.470 20 30 FCEDMM N#Cc1ncc(N2CCC(OC[C@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001581881901 1280641462 /nfs/dbraw/zinc/64/14/62/1280641462.db2.gz DQDXTLXTSHNLHB-NSHDSACASA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2cccc(F)c2)cnc1-c1nnn[n-]1 ZINC001581880887 1280641870 /nfs/dbraw/zinc/64/18/70/1280641870.db2.gz YKCQKBRSPLSXHL-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM N#Cc1nc(NC[C@@H](O)COc2cccc(F)c2)cnc1-c1nn[n-]n1 ZINC001581880887 1280641884 /nfs/dbraw/zinc/64/18/84/1280641884.db2.gz YKCQKBRSPLSXHL-SNVBAGLBSA-N -1 1 356.321 0.519 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603603505 1287437102 /nfs/dbraw/zinc/43/71/02/1287437102.db2.gz PQYTUBGWALYUMM-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603603505 1287437113 /nfs/dbraw/zinc/43/71/13/1287437113.db2.gz PQYTUBGWALYUMM-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1ncc(N2CCC[C@](C#N)(c3ccccn3)C2)nc1-c1nn[n-]n1 ZINC001581881856 1280641951 /nfs/dbraw/zinc/64/19/51/1280641951.db2.gz CLXXACSHOVJMTO-QGZVFWFLSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ccc(F)cc3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880667 1280642368 /nfs/dbraw/zinc/64/23/68/1280642368.db2.gz RITPRNICTPQUPW-NSHDSACASA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@H]2CCN(c3ccc(F)cc3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880667 1280642376 /nfs/dbraw/zinc/64/23/76/1280642376.db2.gz RITPRNICTPQUPW-NSHDSACASA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1ncc(N[C@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[n-]n1 ZINC001581882705 1280644275 /nfs/dbraw/zinc/64/42/75/1280644275.db2.gz GAUCFEBNDDAWQA-JTQLQIEISA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N2CCS(=O)(=O)C3(CCCCC3)C2)nc1-c1nn[n-]n1 ZINC001581883217 1280647563 /nfs/dbraw/zinc/64/75/63/1280647563.db2.gz RYBLMMOSFOBVLS-UHFFFAOYSA-N -1 1 374.430 0.466 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001581885730 1280651977 /nfs/dbraw/zinc/65/19/77/1280651977.db2.gz KFZPLSZVJPUWQF-UHFFFAOYSA-N -1 1 372.352 0.895 20 30 FCEDMM N#Cc1ncn(-c2ccccc2NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001581885730 1280651983 /nfs/dbraw/zinc/65/19/83/1280651983.db2.gz KFZPLSZVJPUWQF-UHFFFAOYSA-N -1 1 372.352 0.895 20 30 FCEDMM N#Cc1ncn(C[C@@H](O)c2cc(Br)no2)c1-c1nn[n-]n1 ZINC001581885965 1280656158 /nfs/dbraw/zinc/65/61/58/1280656158.db2.gz SOZOZHOIJZFFBG-ZCFIWIBFSA-N -1 1 351.124 0.419 20 30 FCEDMM C[C@H](NC(=O)c1ccc(C#N)o1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603643575 1287455149 /nfs/dbraw/zinc/45/51/49/1287455149.db2.gz REIORERLLZRUPG-IUCAKERBSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@H](NC(=O)c1ccc(C#N)o1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603643575 1287455155 /nfs/dbraw/zinc/45/51/55/1287455155.db2.gz REIORERLLZRUPG-IUCAKERBSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603853516 1287521048 /nfs/dbraw/zinc/52/10/48/1287521048.db2.gz QVHVOIFATIEQAQ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603853516 1287521054 /nfs/dbraw/zinc/52/10/54/1287521054.db2.gz QVHVOIFATIEQAQ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM CCOc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC001609245068 1289016407 /nfs/dbraw/zinc/01/64/07/1289016407.db2.gz YQKZJMBWZQGHGO-UHFFFAOYSA-N -1 1 366.385 0.992 20 30 FCEDMM C#C[C@@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588327389 1282420378 /nfs/dbraw/zinc/42/03/78/1282420378.db2.gz IGKSKBXQYNVCNH-VIFPVBQESA-N -1 1 356.321 0.307 20 30 FCEDMM C#C[C@@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588327519 1282420505 /nfs/dbraw/zinc/42/05/05/1282420505.db2.gz KPAHAEGGTCEJAD-VIFPVBQESA-N -1 1 350.360 0.855 20 30 FCEDMM C#C[C@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588327842 1282420653 /nfs/dbraw/zinc/42/06/53/1282420653.db2.gz SCJPTIWEQWXZJQ-SECBINFHSA-N -1 1 350.360 0.855 20 30 FCEDMM C#C[C@H](CCC)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588327842 1282420656 /nfs/dbraw/zinc/42/06/56/1282420656.db2.gz SCJPTIWEQWXZJQ-SECBINFHSA-N -1 1 350.360 0.855 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328569 1282421964 /nfs/dbraw/zinc/42/19/64/1282421964.db2.gz KQUGJEIKGLVCTM-RYUDHWBXSA-N -1 1 351.363 0.465 20 30 FCEDMM C#C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588332176 1282423493 /nfs/dbraw/zinc/42/34/93/1282423493.db2.gz HGJHURWULRDZEE-SNVBAGLBSA-N -1 1 362.371 0.951 20 30 FCEDMM C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC001588334110 1282428009 /nfs/dbraw/zinc/42/80/09/1282428009.db2.gz OIJZLASCDUHJSK-VIFPVBQESA-N -1 1 369.790 0.363 20 30 FCEDMM C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC001588334110 1282428012 /nfs/dbraw/zinc/42/80/12/1282428012.db2.gz OIJZLASCDUHJSK-VIFPVBQESA-N -1 1 369.790 0.363 20 30 FCEDMM C#CC[C@@H](COC)NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588334348 1282428039 /nfs/dbraw/zinc/42/80/39/1282428039.db2.gz UNWUSTRZUDSZSF-ZDUSSCGKSA-N -1 1 370.417 0.132 20 30 FCEDMM C#CC[C@@H](COC)NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588334348 1282428043 /nfs/dbraw/zinc/42/80/43/1282428043.db2.gz UNWUSTRZUDSZSF-ZDUSSCGKSA-N -1 1 370.417 0.132 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H](CC)C1 ZINC001588336588 1282428731 /nfs/dbraw/zinc/42/87/31/1282428731.db2.gz QNCMVIIIGQDQBF-ZIAGYGMSSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335892 1282428958 /nfs/dbraw/zinc/42/89/58/1282428958.db2.gz BOSKKNRZYZMXJQ-UONOGXRCSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338161 1282430422 /nfs/dbraw/zinc/43/04/22/1282430422.db2.gz AFYJKZFBJHZBIM-KBPBESRZSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588338199 1282430634 /nfs/dbraw/zinc/43/06/34/1282430634.db2.gz HZAKDHUDIBKOSK-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588338199 1282430641 /nfs/dbraw/zinc/43/06/41/1282430641.db2.gz HZAKDHUDIBKOSK-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588338508 1282431446 /nfs/dbraw/zinc/43/14/46/1282431446.db2.gz DGRRTYYPXFUEAB-GOSISDBHSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1 ZINC001588340588 1282436199 /nfs/dbraw/zinc/43/61/99/1282436199.db2.gz WHGSRMSYDXYKCW-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001588340692 1282437148 /nfs/dbraw/zinc/43/71/48/1282437148.db2.gz BAQMHHNZQSXXGS-YABSGUDNSA-N -1 1 357.443 0.986 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588341510 1282437740 /nfs/dbraw/zinc/43/77/40/1282437740.db2.gz JOYCYASGGYKUBW-UONOGXRCSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588341830 1282438166 /nfs/dbraw/zinc/43/81/66/1282438166.db2.gz QUMZLVRQJNCMHB-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588341830 1282438171 /nfs/dbraw/zinc/43/81/71/1282438171.db2.gz QUMZLVRQJNCMHB-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588342668 1282438799 /nfs/dbraw/zinc/43/87/99/1282438799.db2.gz PGMPBNAOQLOAHU-UHFFFAOYSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588345063 1282440257 /nfs/dbraw/zinc/44/02/57/1282440257.db2.gz OYVSVDZYJQVOSO-LAQFHYBYSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588345063 1282440260 /nfs/dbraw/zinc/44/02/60/1282440260.db2.gz OYVSVDZYJQVOSO-LAQFHYBYSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588342976 1282440945 /nfs/dbraw/zinc/44/09/45/1282440945.db2.gz WXHIDZRADIJKSE-LLVKDONJSA-N -1 1 363.447 0.714 20 30 FCEDMM C#CCN(C(=O)[C@@H](C)C#N)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588347730 1282441825 /nfs/dbraw/zinc/44/18/25/1282441825.db2.gz VKBIRJDWUCIMSD-LBPRGKRZSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(C(=O)[C@@H](C)C#N)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588347730 1282441830 /nfs/dbraw/zinc/44/18/30/1282441830.db2.gz VKBIRJDWUCIMSD-LBPRGKRZSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@@H]1CCCO1 ZINC001588350496 1282444475 /nfs/dbraw/zinc/44/44/75/1282444475.db2.gz ACNRQWCCZBBSAN-NSHDSACASA-N -1 1 368.405 0.487 20 30 FCEDMM C#CCN(CC#CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588350166 1282444760 /nfs/dbraw/zinc/44/47/60/1282444760.db2.gz GPVIITBNRLAPAR-UHFFFAOYSA-N -1 1 360.355 0.422 20 30 FCEDMM C#CCN(CC#CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588350166 1282444765 /nfs/dbraw/zinc/44/47/65/1282444765.db2.gz GPVIITBNRLAPAR-UHFFFAOYSA-N -1 1 360.355 0.422 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354823 1282449160 /nfs/dbraw/zinc/44/91/60/1282449160.db2.gz AJJVJWAVTFOFOF-PXAZEXFGSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354823 1282449164 /nfs/dbraw/zinc/44/91/64/1282449164.db2.gz AJJVJWAVTFOFOF-PXAZEXFGSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588355186 1282453428 /nfs/dbraw/zinc/45/34/28/1282453428.db2.gz FXCVTAMMCVJNJL-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588355186 1282453435 /nfs/dbraw/zinc/45/34/35/1282453435.db2.gz FXCVTAMMCVJNJL-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355637 1282455637 /nfs/dbraw/zinc/45/56/37/1282455637.db2.gz KUNKAACBEACXNN-OLZOCXBDSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355637 1282455644 /nfs/dbraw/zinc/45/56/44/1282455644.db2.gz KUNKAACBEACXNN-OLZOCXBDSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356528 1282460308 /nfs/dbraw/zinc/46/03/08/1282460308.db2.gz CZJWYIWLNDXZGN-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356528 1282460315 /nfs/dbraw/zinc/46/03/15/1282460315.db2.gz CZJWYIWLNDXZGN-NEPJUHHUSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588356746 1282460564 /nfs/dbraw/zinc/46/05/64/1282460564.db2.gz ZSIHGELEDHKYKT-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588356746 1282460567 /nfs/dbraw/zinc/46/05/67/1282460567.db2.gz ZSIHGELEDHKYKT-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588356950 1282462803 /nfs/dbraw/zinc/46/28/03/1282462803.db2.gz IEHFZMAFSZIKSW-NSHDSACASA-N -1 1 363.447 0.612 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588357197 1282465362 /nfs/dbraw/zinc/46/53/62/1282465362.db2.gz IZCUGCXLDHCBPU-SMDDNHRTSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588357197 1282465365 /nfs/dbraw/zinc/46/53/65/1282465365.db2.gz IZCUGCXLDHCBPU-SMDDNHRTSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357570 1282466252 /nfs/dbraw/zinc/46/62/52/1282466252.db2.gz LPKIKQKMBJCICI-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357570 1282466256 /nfs/dbraw/zinc/46/62/56/1282466256.db2.gz LPKIKQKMBJCICI-QWHCGFSZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357568 1282466806 /nfs/dbraw/zinc/46/68/06/1282466806.db2.gz LPKIKQKMBJCICI-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357568 1282466813 /nfs/dbraw/zinc/46/68/13/1282466813.db2.gz LPKIKQKMBJCICI-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588358375 1282468714 /nfs/dbraw/zinc/46/87/14/1282468714.db2.gz RBVGFKODHAFFNS-LBPRGKRZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588358375 1282468720 /nfs/dbraw/zinc/46/87/20/1282468720.db2.gz RBVGFKODHAFFNS-LBPRGKRZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588359221 1282472255 /nfs/dbraw/zinc/47/22/55/1282472255.db2.gz IYVRKSNMVCMRLR-UHFFFAOYSA-N -1 1 370.417 0.044 20 30 FCEDMM C#CCOCCC(=O)N1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588359221 1282472262 /nfs/dbraw/zinc/47/22/62/1282472262.db2.gz IYVRKSNMVCMRLR-UHFFFAOYSA-N -1 1 370.417 0.044 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588359052 1282473141 /nfs/dbraw/zinc/47/31/41/1282473141.db2.gz GHGSAAPKUGRVQM-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588359052 1282473146 /nfs/dbraw/zinc/47/31/46/1282473146.db2.gz GHGSAAPKUGRVQM-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588358919 1282473203 /nfs/dbraw/zinc/47/32/03/1282473203.db2.gz CNAHJLZCZBJZTK-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588358919 1282473208 /nfs/dbraw/zinc/47/32/08/1282473208.db2.gz CNAHJLZCZBJZTK-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588359719 1282476822 /nfs/dbraw/zinc/47/68/22/1282476822.db2.gz XAPSOOUDVPMVDY-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588359844 1282477423 /nfs/dbraw/zinc/47/74/23/1282477423.db2.gz YYFWNVZCQXZIRN-KRWDZBQOSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCOCCC(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588359844 1282477426 /nfs/dbraw/zinc/47/74/26/1282477426.db2.gz YYFWNVZCQXZIRN-KRWDZBQOSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588361312 1282482966 /nfs/dbraw/zinc/48/29/66/1282482966.db2.gz JUGLAJMLMXRRFU-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588361312 1282482969 /nfs/dbraw/zinc/48/29/69/1282482969.db2.gz JUGLAJMLMXRRFU-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588361396 1282483048 /nfs/dbraw/zinc/48/30/48/1282483048.db2.gz LPRGSLUQYHJMJT-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588361396 1282483051 /nfs/dbraw/zinc/48/30/51/1282483051.db2.gz LPRGSLUQYHJMJT-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1 ZINC001588361832 1282483970 /nfs/dbraw/zinc/48/39/70/1282483970.db2.gz KUDNDYNKZJKTIE-UHFFFAOYSA-N -1 1 370.394 0.752 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588361522 1282485222 /nfs/dbraw/zinc/48/52/22/1282485222.db2.gz OVWRFMIFVBDEQR-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588361522 1282485227 /nfs/dbraw/zinc/48/52/27/1282485227.db2.gz OVWRFMIFVBDEQR-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588361858 1282485448 /nfs/dbraw/zinc/48/54/48/1282485448.db2.gz LEPXLPRHNUXQNI-SECBINFHSA-N -1 1 356.321 0.809 20 30 FCEDMM C#CCOc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588361814 1282485583 /nfs/dbraw/zinc/48/55/83/1282485583.db2.gz KOXVTMUDOZFTKG-UHFFFAOYSA-N -1 1 364.369 0.511 20 30 FCEDMM C#CCOc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588361814 1282485587 /nfs/dbraw/zinc/48/55/87/1282485587.db2.gz KOXVTMUDOZFTKG-UHFFFAOYSA-N -1 1 364.369 0.511 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001588364306 1282490952 /nfs/dbraw/zinc/49/09/52/1282490952.db2.gz DFMCVSYLNICYBU-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001588364306 1282490958 /nfs/dbraw/zinc/49/09/58/1282490958.db2.gz DFMCVSYLNICYBU-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001588371414 1282493919 /nfs/dbraw/zinc/49/39/19/1282493919.db2.gz GONNTJIGRNNQLH-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001588371414 1282493924 /nfs/dbraw/zinc/49/39/24/1282493924.db2.gz GONNTJIGRNNQLH-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001588379844 1282495005 /nfs/dbraw/zinc/49/50/05/1282495005.db2.gz ONIJAMLKVGVKCP-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588377385 1282495417 /nfs/dbraw/zinc/49/54/17/1282495417.db2.gz WMTCNOAAHPNFRD-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588377385 1282495430 /nfs/dbraw/zinc/49/54/30/1282495430.db2.gz WMTCNOAAHPNFRD-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)OCC ZINC001588402575 1282499255 /nfs/dbraw/zinc/49/92/55/1282499255.db2.gz IJIRRNCDGBGELL-CQSZACIVSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)OCC ZINC001588402575 1282499260 /nfs/dbraw/zinc/49/92/60/1282499260.db2.gz IJIRRNCDGBGELL-CQSZACIVSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402299 1282500923 /nfs/dbraw/zinc/50/09/23/1282500923.db2.gz FBRMCLPUJDMXHX-OLZOCXBDSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC001588410776 1282501889 /nfs/dbraw/zinc/50/18/89/1282501889.db2.gz VLVUVLRFBHCWCO-GFCCVEGCSA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCC ZINC001588410776 1282501899 /nfs/dbraw/zinc/50/18/99/1282501899.db2.gz VLVUVLRFBHCWCO-GFCCVEGCSA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588418326 1282504434 /nfs/dbraw/zinc/50/44/34/1282504434.db2.gz ZYHOKXSFDHGLFN-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588418326 1282504445 /nfs/dbraw/zinc/50/44/45/1282504445.db2.gz ZYHOKXSFDHGLFN-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588418242 1282505066 /nfs/dbraw/zinc/50/50/66/1282505066.db2.gz WQQXCVYHNTWHAC-NSHDSACASA-N -1 1 360.422 0.464 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588418242 1282505077 /nfs/dbraw/zinc/50/50/77/1282505077.db2.gz WQQXCVYHNTWHAC-NSHDSACASA-N -1 1 360.422 0.464 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588417660 1282505338 /nfs/dbraw/zinc/50/53/38/1282505338.db2.gz AVKQCLLUYMOTJT-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588417660 1282505347 /nfs/dbraw/zinc/50/53/47/1282505347.db2.gz AVKQCLLUYMOTJT-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CC(C)(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588448897 1282507224 /nfs/dbraw/zinc/50/72/24/1282507224.db2.gz HEDGCNFIKWSJAQ-LBPRGKRZSA-N -1 1 354.418 0.695 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588460782 1282509867 /nfs/dbraw/zinc/50/98/67/1282509867.db2.gz DHIJWCPXOVIKQU-CYBMUJFWSA-N -1 1 372.433 0.601 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588460782 1282509874 /nfs/dbraw/zinc/50/98/74/1282509874.db2.gz DHIJWCPXOVIKQU-CYBMUJFWSA-N -1 1 372.433 0.601 20 30 FCEDMM C=C1CCC(CNC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001588462083 1282510820 /nfs/dbraw/zinc/51/08/20/1282510820.db2.gz DITHOPWWRQQDAW-UHFFFAOYSA-N -1 1 374.405 0.175 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588456532 1282512214 /nfs/dbraw/zinc/51/22/14/1282512214.db2.gz YFOUTNYMQHLUTL-LLVKDONJSA-N -1 1 358.406 0.210 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588456532 1282512223 /nfs/dbraw/zinc/51/22/23/1282512223.db2.gz YFOUTNYMQHLUTL-LLVKDONJSA-N -1 1 358.406 0.210 20 30 FCEDMM C=C[C@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588468558 1282514851 /nfs/dbraw/zinc/51/48/51/1282514851.db2.gz UJSPWILWCWLBRC-JSGCOSHPSA-N -1 1 364.413 0.965 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1O ZINC001588477925 1282517561 /nfs/dbraw/zinc/51/75/61/1282517561.db2.gz LOAJCYNBSIAYHV-VXGBXAGGSA-N -1 1 372.433 0.097 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1O ZINC001588477925 1282517573 /nfs/dbraw/zinc/51/75/73/1282517573.db2.gz LOAJCYNBSIAYHV-VXGBXAGGSA-N -1 1 372.433 0.097 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001588475244 1282518131 /nfs/dbraw/zinc/51/81/31/1282518131.db2.gz NKVCNVSNODJXOF-LBPRGKRZSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001588475244 1282518142 /nfs/dbraw/zinc/51/81/42/1282518142.db2.gz NKVCNVSNODJXOF-LBPRGKRZSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588484584 1282521159 /nfs/dbraw/zinc/52/11/59/1282521159.db2.gz IIPPJJXOLZDPQR-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588484584 1282521174 /nfs/dbraw/zinc/52/11/74/1282521174.db2.gz IIPPJJXOLZDPQR-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588482175 1282521487 /nfs/dbraw/zinc/52/14/87/1282521487.db2.gz RSQBNSPEKRHNMR-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=CC(C)(C)CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588482175 1282521497 /nfs/dbraw/zinc/52/14/97/1282521497.db2.gz RSQBNSPEKRHNMR-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588493544 1282523984 /nfs/dbraw/zinc/52/39/84/1282523984.db2.gz HKSUPJJMNWEQTP-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588493544 1282523993 /nfs/dbraw/zinc/52/39/93/1282523993.db2.gz HKSUPJJMNWEQTP-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588499954 1282530507 /nfs/dbraw/zinc/53/05/07/1282530507.db2.gz POTAVJHTXFVBGK-QGZVFWFLSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588499954 1282530514 /nfs/dbraw/zinc/53/05/14/1282530514.db2.gz POTAVJHTXFVBGK-QGZVFWFLSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588499952 1282531697 /nfs/dbraw/zinc/53/16/97/1282531697.db2.gz POTAVJHTXFVBGK-KRWDZBQOSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588499952 1282531704 /nfs/dbraw/zinc/53/17/04/1282531704.db2.gz POTAVJHTXFVBGK-KRWDZBQOSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588500292 1282532037 /nfs/dbraw/zinc/53/20/37/1282532037.db2.gz UWIZJMCOSOVCKY-PIGZYNQJSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588500292 1282532048 /nfs/dbraw/zinc/53/20/48/1282532048.db2.gz UWIZJMCOSOVCKY-PIGZYNQJSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588500958 1282534736 /nfs/dbraw/zinc/53/47/36/1282534736.db2.gz HFYDTEJWMHZHEZ-DLBZAZTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588500958 1282534744 /nfs/dbraw/zinc/53/47/44/1282534744.db2.gz HFYDTEJWMHZHEZ-DLBZAZTESA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588502527 1282539785 /nfs/dbraw/zinc/53/97/85/1282539785.db2.gz SXSUPTOTSAHBTH-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588502527 1282539794 /nfs/dbraw/zinc/53/97/94/1282539794.db2.gz SXSUPTOTSAHBTH-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588503372 1282540844 /nfs/dbraw/zinc/54/08/44/1282540844.db2.gz XVZUPCDPQUPYNM-SIVJFFJCSA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588503372 1282540850 /nfs/dbraw/zinc/54/08/50/1282540850.db2.gz XVZUPCDPQUPYNM-SIVJFFJCSA-N -1 1 358.406 0.243 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588504938 1282546234 /nfs/dbraw/zinc/54/62/34/1282546234.db2.gz MYIIVIKZMRXIQV-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588504938 1282546240 /nfs/dbraw/zinc/54/62/40/1282546240.db2.gz MYIIVIKZMRXIQV-SJKOYZFVSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588508372 1282550363 /nfs/dbraw/zinc/55/03/63/1282550363.db2.gz PTRKUBZMPVQTKH-OHUAYANFSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588508372 1282550372 /nfs/dbraw/zinc/55/03/72/1282550372.db2.gz PTRKUBZMPVQTKH-OHUAYANFSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588521757 1282554804 /nfs/dbraw/zinc/55/48/04/1282554804.db2.gz SJJPHXZBTIYXFI-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588521757 1282554813 /nfs/dbraw/zinc/55/48/13/1282554813.db2.gz SJJPHXZBTIYXFI-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588518671 1282555534 /nfs/dbraw/zinc/55/55/34/1282555534.db2.gz ITSAYVAUFRONFY-CHWSQXEVSA-N -1 1 374.449 0.799 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588518671 1282555543 /nfs/dbraw/zinc/55/55/43/1282555543.db2.gz ITSAYVAUFRONFY-CHWSQXEVSA-N -1 1 374.449 0.799 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588523161 1282556655 /nfs/dbraw/zinc/55/66/55/1282556655.db2.gz IRFATPFOGDFPHB-MRVWCRGKSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588523161 1282556670 /nfs/dbraw/zinc/55/66/70/1282556670.db2.gz IRFATPFOGDFPHB-MRVWCRGKSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588521758 1282557091 /nfs/dbraw/zinc/55/70/91/1282557091.db2.gz SJJPHXZBTIYXFI-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588521758 1282557100 /nfs/dbraw/zinc/55/71/00/1282557100.db2.gz SJJPHXZBTIYXFI-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588523555 1282558312 /nfs/dbraw/zinc/55/83/12/1282558312.db2.gz KTWNOQPQUAVHMD-YNEHKIRRSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588523555 1282558318 /nfs/dbraw/zinc/55/83/18/1282558318.db2.gz KTWNOQPQUAVHMD-YNEHKIRRSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588532926 1282561284 /nfs/dbraw/zinc/56/12/84/1282561284.db2.gz JQBXHBBZMYHMDF-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588532926 1282561290 /nfs/dbraw/zinc/56/12/90/1282561290.db2.gz JQBXHBBZMYHMDF-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588532740 1282561628 /nfs/dbraw/zinc/56/16/28/1282561628.db2.gz DMNWYZAWOCGOHV-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588532740 1282561640 /nfs/dbraw/zinc/56/16/40/1282561640.db2.gz DMNWYZAWOCGOHV-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588531882 1282561827 /nfs/dbraw/zinc/56/18/27/1282561827.db2.gz LJRQWYAZQVKALB-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588531882 1282561839 /nfs/dbraw/zinc/56/18/39/1282561839.db2.gz LJRQWYAZQVKALB-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CCC1 ZINC001588556351 1282566898 /nfs/dbraw/zinc/56/68/98/1282566898.db2.gz JUMJGOLLTUISFO-OLZOCXBDSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CCC1 ZINC001588556351 1282566913 /nfs/dbraw/zinc/56/69/13/1282566913.db2.gz JUMJGOLLTUISFO-OLZOCXBDSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001588553341 1282567063 /nfs/dbraw/zinc/56/70/63/1282567063.db2.gz MFEVVFRDPRFVBA-NSHDSACASA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001588553341 1282567073 /nfs/dbraw/zinc/56/70/73/1282567073.db2.gz MFEVVFRDPRFVBA-NSHDSACASA-N -1 1 358.406 0.292 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001588554258 1282568153 /nfs/dbraw/zinc/56/81/53/1282568153.db2.gz ZNAQPFZCOGNXJE-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001588554258 1282568164 /nfs/dbraw/zinc/56/81/64/1282568164.db2.gz ZNAQPFZCOGNXJE-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588570714 1282569950 /nfs/dbraw/zinc/56/99/50/1282569950.db2.gz CHTYQEFDOCUWCC-OLZOCXBDSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001588571298 1282570093 /nfs/dbraw/zinc/57/00/93/1282570093.db2.gz ISAMRFQSOYLLJV-PXAZEXFGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001588571298 1282570106 /nfs/dbraw/zinc/57/01/06/1282570106.db2.gz ISAMRFQSOYLLJV-PXAZEXFGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCC[C@H](CO)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001588579434 1282571973 /nfs/dbraw/zinc/57/19/73/1282571973.db2.gz MNESZFGVQQSFRD-LLVKDONJSA-N -1 1 355.395 0.920 20 30 FCEDMM C=CCCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588587601 1282575248 /nfs/dbraw/zinc/57/52/48/1282575248.db2.gz YXXDSEHPASTCJZ-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001588586678 1282575478 /nfs/dbraw/zinc/57/54/78/1282575478.db2.gz KXFMLECTJRXXQO-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001588586678 1282575488 /nfs/dbraw/zinc/57/54/88/1282575488.db2.gz KXFMLECTJRXXQO-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCC[C@@H]1CCCN1c1nnc(Cn2cnc(-c3nn[n-]n3)n2)n1C ZINC001588582638 1282576219 /nfs/dbraw/zinc/57/62/19/1282576219.db2.gz MYVQHLSUFCCBDX-LLVKDONJSA-N -1 1 355.410 0.570 20 30 FCEDMM C=CCCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588586256 1282576587 /nfs/dbraw/zinc/57/65/87/1282576587.db2.gz FWGXGZSVSSTEND-KRWDZBQOSA-N -1 1 372.433 0.379 20 30 FCEDMM C=CCCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588586256 1282576589 /nfs/dbraw/zinc/57/65/89/1282576589.db2.gz FWGXGZSVSSTEND-KRWDZBQOSA-N -1 1 372.433 0.379 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588587324 1282576801 /nfs/dbraw/zinc/57/68/01/1282576801.db2.gz URSFKNRDQNPQEA-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588587324 1282576812 /nfs/dbraw/zinc/57/68/12/1282576812.db2.gz URSFKNRDQNPQEA-YPMHNXCESA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588590422 1282578797 /nfs/dbraw/zinc/57/87/97/1282578797.db2.gz MFTZNTKHXHIQHH-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588590422 1282578808 /nfs/dbraw/zinc/57/88/08/1282578808.db2.gz MFTZNTKHXHIQHH-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588609054 1282585065 /nfs/dbraw/zinc/58/50/65/1282585065.db2.gz TYJAWMRGYYPSLQ-QWHCGFSZSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588609056 1282585616 /nfs/dbraw/zinc/58/56/16/1282585616.db2.gz TYMFDUZVGQXBEZ-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588609056 1282585622 /nfs/dbraw/zinc/58/56/22/1282585622.db2.gz TYMFDUZVGQXBEZ-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588610411 1282586815 /nfs/dbraw/zinc/58/68/15/1282586815.db2.gz DNVBPBIIOAEUAK-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588610411 1282586828 /nfs/dbraw/zinc/58/68/28/1282586828.db2.gz DNVBPBIIOAEUAK-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588609240 1282586845 /nfs/dbraw/zinc/58/68/45/1282586845.db2.gz VTZYOVGTRDFBBV-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588609240 1282586854 /nfs/dbraw/zinc/58/68/54/1282586854.db2.gz VTZYOVGTRDFBBV-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1CC ZINC001588615824 1282592124 /nfs/dbraw/zinc/59/21/24/1282592124.db2.gz JNXLXZILCYZZBT-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1CC ZINC001588615824 1282592133 /nfs/dbraw/zinc/59/21/33/1282592133.db2.gz JNXLXZILCYZZBT-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588615687 1282592255 /nfs/dbraw/zinc/59/22/55/1282592255.db2.gz CVQFCZAEQXNWPC-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588615687 1282592264 /nfs/dbraw/zinc/59/22/64/1282592264.db2.gz CVQFCZAEQXNWPC-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588615690 1282592907 /nfs/dbraw/zinc/59/29/07/1282592907.db2.gz CYODOZZWQGLYID-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588615859 1282593480 /nfs/dbraw/zinc/59/34/80/1282593480.db2.gz KVOATDROZGKFKY-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588615859 1282593491 /nfs/dbraw/zinc/59/34/91/1282593491.db2.gz KVOATDROZGKFKY-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588615880 1282593808 /nfs/dbraw/zinc/59/38/08/1282593808.db2.gz LSZGKFHOZSOOAB-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588615880 1282593814 /nfs/dbraw/zinc/59/38/14/1282593814.db2.gz LSZGKFHOZSOOAB-GFCCVEGCSA-N -1 1 372.433 0.507 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588615674 1282594018 /nfs/dbraw/zinc/59/40/18/1282594018.db2.gz CFMWFWAVHRBUAZ-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588615674 1282594026 /nfs/dbraw/zinc/59/40/26/1282594026.db2.gz CFMWFWAVHRBUAZ-GFCCVEGCSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588616085 1282594598 /nfs/dbraw/zinc/59/45/98/1282594598.db2.gz UXZDNVXRVBTTDR-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588616604 1282596165 /nfs/dbraw/zinc/59/61/65/1282596165.db2.gz KEBQVPJHLDKWRU-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588616604 1282596176 /nfs/dbraw/zinc/59/61/76/1282596176.db2.gz KEBQVPJHLDKWRU-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616855 1282598707 /nfs/dbraw/zinc/59/87/07/1282598707.db2.gz NWJHLUZCIRIMHE-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616855 1282598718 /nfs/dbraw/zinc/59/87/18/1282598718.db2.gz NWJHLUZCIRIMHE-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCN(C)c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1CCOC ZINC001588626548 1282600271 /nfs/dbraw/zinc/60/02/71/1282600271.db2.gz JZLDYLNJYKFFGW-UHFFFAOYSA-N -1 1 357.378 0.494 20 30 FCEDMM C=CCN(CCOC)c1nnc(Cc2ccc(-c3nnn[n-]3)nc2)n1C ZINC001588631783 1282602643 /nfs/dbraw/zinc/60/26/43/1282602643.db2.gz BTYTXJMAQIMZQL-UHFFFAOYSA-N -1 1 355.406 0.620 20 30 FCEDMM C=CCN(CCOC)c1nnc(Cc2ccc(-c3nn[n-]n3)nc2)n1C ZINC001588631783 1282602655 /nfs/dbraw/zinc/60/26/55/1282602655.db2.gz BTYTXJMAQIMZQL-UHFFFAOYSA-N -1 1 355.406 0.620 20 30 FCEDMM C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588664993 1282616403 /nfs/dbraw/zinc/61/64/03/1282616403.db2.gz BIHNONAWTTVRPH-SNVBAGLBSA-N -1 1 353.379 0.971 20 30 FCEDMM C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588664993 1282616416 /nfs/dbraw/zinc/61/64/16/1282616416.db2.gz BIHNONAWTTVRPH-SNVBAGLBSA-N -1 1 353.379 0.971 20 30 FCEDMM C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588665034 1282616933 /nfs/dbraw/zinc/61/69/33/1282616933.db2.gz CQTLWAHMGPRJEP-NSHDSACASA-N -1 1 353.379 0.971 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588667006 1282622177 /nfs/dbraw/zinc/62/21/77/1282622177.db2.gz PMNQJTSFWRIJGI-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588667006 1282622192 /nfs/dbraw/zinc/62/21/92/1282622192.db2.gz PMNQJTSFWRIJGI-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588667359 1282622530 /nfs/dbraw/zinc/62/25/30/1282622530.db2.gz XCQYSTFAVJNLAI-UHFFFAOYSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588667359 1282622538 /nfs/dbraw/zinc/62/25/38/1282622538.db2.gz XCQYSTFAVJNLAI-UHFFFAOYSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588667275 1282622788 /nfs/dbraw/zinc/62/27/88/1282622788.db2.gz TYCIQGFNPMSXGG-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588667275 1282622804 /nfs/dbraw/zinc/62/28/04/1282622804.db2.gz TYCIQGFNPMSXGG-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588674456 1282629995 /nfs/dbraw/zinc/62/99/95/1282629995.db2.gz OCWLVWZIYIBSFZ-CYBMUJFWSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588674456 1282630007 /nfs/dbraw/zinc/63/00/07/1282630007.db2.gz OCWLVWZIYIBSFZ-CYBMUJFWSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001588674517 1282630139 /nfs/dbraw/zinc/63/01/39/1282630139.db2.gz PGTBOYYDLAUFDO-OLZOCXBDSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001588674517 1282630147 /nfs/dbraw/zinc/63/01/47/1282630147.db2.gz PGTBOYYDLAUFDO-OLZOCXBDSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588674508 1282631630 /nfs/dbraw/zinc/63/16/30/1282631630.db2.gz OYNTVKPDGZNSEX-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588675962 1282634257 /nfs/dbraw/zinc/63/42/57/1282634257.db2.gz MCXNVJDRNCYXJE-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682019 1282638999 /nfs/dbraw/zinc/63/89/99/1282638999.db2.gz UFJNAZVTSQEJAC-LBPRGKRZSA-N -1 1 358.406 0.074 20 30 FCEDMM C=CCOCCCC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588681316 1282639288 /nfs/dbraw/zinc/63/92/88/1282639288.db2.gz KZUCGOLOZLESKJ-UHFFFAOYSA-N -1 1 357.418 0.893 20 30 FCEDMM C=CCOCCCC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588681316 1282639305 /nfs/dbraw/zinc/63/93/05/1282639305.db2.gz KZUCGOLOZLESKJ-UHFFFAOYSA-N -1 1 357.418 0.893 20 30 FCEDMM C=CCn1cc(C(=O)N(C)CCCNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001588711913 1282658099 /nfs/dbraw/zinc/65/80/99/1282658099.db2.gz XZBKTDFEBZCCCM-UHFFFAOYSA-N -1 1 369.393 0.008 20 30 FCEDMM C=CCn1cc(C(=O)N(C)CCCNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001588711913 1282658112 /nfs/dbraw/zinc/65/81/12/1282658112.db2.gz XZBKTDFEBZCCCM-UHFFFAOYSA-N -1 1 369.393 0.008 20 30 FCEDMM C=CCn1nnnc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC001588716807 1282661633 /nfs/dbraw/zinc/66/16/33/1282661633.db2.gz MTVCKGJMOAWVMC-UHFFFAOYSA-N -1 1 357.363 0.080 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588718340 1282663338 /nfs/dbraw/zinc/66/33/38/1282663338.db2.gz IOGSROQLQRWFFJ-TUAOUCFPSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588718340 1282663353 /nfs/dbraw/zinc/66/33/53/1282663353.db2.gz IOGSROQLQRWFFJ-TUAOUCFPSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588718814 1282663878 /nfs/dbraw/zinc/66/38/78/1282663878.db2.gz UAFZJQMKGDRHRJ-UTUOFQBUSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588718814 1282663894 /nfs/dbraw/zinc/66/38/94/1282663894.db2.gz UAFZJQMKGDRHRJ-UTUOFQBUSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588718322 1282665834 /nfs/dbraw/zinc/66/58/34/1282665834.db2.gz IATUURFGVBWSIP-BZPMIXESSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588718322 1282665847 /nfs/dbraw/zinc/66/58/47/1282665847.db2.gz IATUURFGVBWSIP-BZPMIXESSA-N -1 1 372.433 0.815 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588722147 1282668253 /nfs/dbraw/zinc/66/82/53/1282668253.db2.gz UYBQUUDEDCZQDY-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588722147 1282668263 /nfs/dbraw/zinc/66/82/63/1282668263.db2.gz UYBQUUDEDCZQDY-WZRBSPASSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588722098 1282668854 /nfs/dbraw/zinc/66/88/54/1282668854.db2.gz TWAUXXMCPWAIMB-WZRBSPASSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588722098 1282668865 /nfs/dbraw/zinc/66/88/65/1282668865.db2.gz TWAUXXMCPWAIMB-WZRBSPASSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001588722906 1282670391 /nfs/dbraw/zinc/67/03/91/1282670391.db2.gz DPFCBHBSPNLVJW-UPJWGTAASA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001588722906 1282670400 /nfs/dbraw/zinc/67/04/00/1282670400.db2.gz DPFCBHBSPNLVJW-UPJWGTAASA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001588724287 1282671340 /nfs/dbraw/zinc/67/13/40/1282671340.db2.gz XUWNVAAFLBJSKC-YPMHNXCESA-N -1 1 370.417 0.699 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001588724287 1282671349 /nfs/dbraw/zinc/67/13/49/1282671349.db2.gz XUWNVAAFLBJSKC-YPMHNXCESA-N -1 1 370.417 0.699 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588724317 1282676704 /nfs/dbraw/zinc/67/67/04/1282676704.db2.gz YDSHPNNMCYFSPD-XQHKEYJVSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588724317 1282676716 /nfs/dbraw/zinc/67/67/16/1282676716.db2.gz YDSHPNNMCYFSPD-XQHKEYJVSA-N -1 1 370.417 0.555 20 30 FCEDMM CC#CCCCC(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588738155 1282678535 /nfs/dbraw/zinc/67/85/35/1282678535.db2.gz SIPJZUPCIVQKMU-QWHCGFSZSA-N -1 1 354.418 0.531 20 30 FCEDMM CC(=O)N(c1nc(Cn2cnc(C#N)c2-c2nn[n-]n2)cs1)C1CC1 ZINC001588804821 1282705363 /nfs/dbraw/zinc/70/53/63/1282705363.db2.gz MLHXBZSUELDHLD-UHFFFAOYSA-N -1 1 355.387 0.955 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001588928639 1282729538 /nfs/dbraw/zinc/72/95/38/1282729538.db2.gz SOOFORZHLHZKHL-LQAWEQHXSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001588928639 1282729546 /nfs/dbraw/zinc/72/95/46/1282729546.db2.gz SOOFORZHLHZKHL-LQAWEQHXSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588928532 1282731172 /nfs/dbraw/zinc/73/11/72/1282731172.db2.gz FJXTZRNUAOEOCQ-NTZNESFSSA-N -1 1 353.390 0.244 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588928532 1282731181 /nfs/dbraw/zinc/73/11/81/1282731181.db2.gz FJXTZRNUAOEOCQ-NTZNESFSSA-N -1 1 353.390 0.244 20 30 FCEDMM C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588939400 1282736561 /nfs/dbraw/zinc/73/65/61/1282736561.db2.gz AOOLEQDLTPJRLH-MFKMUULPSA-N -1 1 367.373 0.083 20 30 FCEDMM C[C@H](C(=O)OCCOc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589029507 1282776552 /nfs/dbraw/zinc/77/65/52/1282776552.db2.gz CHAQGZJAAIZPQM-SNVBAGLBSA-N -1 1 354.330 0.513 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589068226 1282790649 /nfs/dbraw/zinc/79/06/49/1282790649.db2.gz MQSMRUONNDQQKP-QGZVFWFLSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589068226 1282790654 /nfs/dbraw/zinc/79/06/54/1282790654.db2.gz MQSMRUONNDQQKP-QGZVFWFLSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589068757 1282790963 /nfs/dbraw/zinc/79/09/63/1282790963.db2.gz XCXQQJOPXJBDIC-ZDUSSCGKSA-N -1 1 368.445 0.779 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001589158317 1282812399 /nfs/dbraw/zinc/81/23/99/1282812399.db2.gz XAVOHAYCDNCFQW-ZJUUUORDSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589379902 1282854574 /nfs/dbraw/zinc/85/45/74/1282854574.db2.gz FQSJBBXALOIQKN-UHFFFAOYSA-N -1 1 356.434 0.635 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589380167 1282858225 /nfs/dbraw/zinc/85/82/25/1282858225.db2.gz OCTUQTRFFHZEAI-STQMWFEESA-N -1 1 354.418 0.387 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001589384466 1282860533 /nfs/dbraw/zinc/86/05/33/1282860533.db2.gz GZZSBWRILCEFBV-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001589384466 1282860547 /nfs/dbraw/zinc/86/05/47/1282860547.db2.gz GZZSBWRILCEFBV-CHWSQXEVSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589384915 1282861055 /nfs/dbraw/zinc/86/10/55/1282861055.db2.gz RTHIRBZCSPWIRM-QGZVFWFLSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589384915 1282861069 /nfs/dbraw/zinc/86/10/69/1282861069.db2.gz RTHIRBZCSPWIRM-QGZVFWFLSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)CN(CC(F)(F)F)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001589619690 1282915180 /nfs/dbraw/zinc/91/51/80/1282915180.db2.gz LKZDLEXORGIRHD-UHFFFAOYSA-N -1 1 371.327 0.564 20 30 FCEDMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589906143 1283117327 /nfs/dbraw/zinc/11/73/27/1283117327.db2.gz KALZSYBUVJEJAD-SNVBAGLBSA-N -1 1 374.368 0.739 20 30 FCEDMM C[C@H](Cn1ncc2ccccc2c1=O)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589906143 1283117329 /nfs/dbraw/zinc/11/73/29/1283117329.db2.gz KALZSYBUVJEJAD-SNVBAGLBSA-N -1 1 374.368 0.739 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589911760 1283118892 /nfs/dbraw/zinc/11/88/92/1283118892.db2.gz DSRISZXWQKQCOL-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001590108936 1283219828 /nfs/dbraw/zinc/21/98/28/1283219828.db2.gz BSFLOIMEJXXGKS-CYBMUJFWSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)C#CC1CC1 ZINC001590108936 1283219832 /nfs/dbraw/zinc/21/98/32/1283219832.db2.gz BSFLOIMEJXXGKS-CYBMUJFWSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590169825 1283263222 /nfs/dbraw/zinc/26/32/22/1283263222.db2.gz DNQXVYRKKLGGGG-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175197 1283280713 /nfs/dbraw/zinc/28/07/13/1283280713.db2.gz MPRPXPJFOHXHGV-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175197 1283280721 /nfs/dbraw/zinc/28/07/21/1283280721.db2.gz MPRPXPJFOHXHGV-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM CCOC(=O)c1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001604390227 1287630492 /nfs/dbraw/zinc/63/04/92/1287630492.db2.gz NGYRAIPCIHEXAA-UHFFFAOYSA-N -1 1 366.341 0.750 20 30 FCEDMM C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590196455 1283304990 /nfs/dbraw/zinc/30/49/90/1283304990.db2.gz IVQFEOXLBVIFCV-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590198697 1283310342 /nfs/dbraw/zinc/31/03/42/1283310342.db2.gz DHAMAAZJCZWFJZ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590198697 1283310349 /nfs/dbraw/zinc/31/03/49/1283310349.db2.gz DHAMAAZJCZWFJZ-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001590230255 1283361013 /nfs/dbraw/zinc/36/10/13/1283361013.db2.gz JWZGYFMJYZDKHB-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1CC[C@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001590230255 1283361025 /nfs/dbraw/zinc/36/10/25/1283361025.db2.gz JWZGYFMJYZDKHB-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001590230259 1283362848 /nfs/dbraw/zinc/36/28/48/1283362848.db2.gz JWZGYFMJYZDKHB-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001590230259 1283362855 /nfs/dbraw/zinc/36/28/55/1283362855.db2.gz JWZGYFMJYZDKHB-YPMHNXCESA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001590238816 1283375278 /nfs/dbraw/zinc/37/52/78/1283375278.db2.gz IVERANLODJNBOU-MGPLVRAMSA-N -1 1 372.389 0.108 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590291257 1283421659 /nfs/dbraw/zinc/42/16/59/1283421659.db2.gz BFUHUFQUUNQAIL-ONGXEEELSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590291257 1283421661 /nfs/dbraw/zinc/42/16/61/1283421661.db2.gz BFUHUFQUUNQAIL-ONGXEEELSA-N -1 1 359.419 0.172 20 30 FCEDMM CCN(CCCNC(=O)c1ccc(C#N)[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001590699372 1283743238 /nfs/dbraw/zinc/74/32/38/1283743238.db2.gz ANWARLMTJIAQNN-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCOC(=O)N1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001590765802 1283829988 /nfs/dbraw/zinc/82/99/88/1283829988.db2.gz IMDNIIUNEFTACH-UHFFFAOYSA-N -1 1 359.350 0.268 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001590908250 1283956267 /nfs/dbraw/zinc/95/62/67/1283956267.db2.gz FUJQLCXWCKEDCE-PBKGOJFUSA-N -1 1 366.429 0.429 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001590908250 1283956278 /nfs/dbraw/zinc/95/62/78/1283956278.db2.gz FUJQLCXWCKEDCE-PBKGOJFUSA-N -1 1 366.429 0.429 20 30 FCEDMM CCc1nc(N[C@@H](C)CCNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590915183 1283962902 /nfs/dbraw/zinc/96/29/02/1283962902.db2.gz QQOAHULLMVRNGE-NSHDSACASA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(N[C@@H](C)CCNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590915183 1283962910 /nfs/dbraw/zinc/96/29/10/1283962910.db2.gz QQOAHULLMVRNGE-NSHDSACASA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590917080 1283964543 /nfs/dbraw/zinc/96/45/43/1283964543.db2.gz YDCWQWZQZMXRKW-GFCCVEGCSA-N -1 1 352.402 0.645 20 30 FCEDMM CCc1nc(N[C@@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590917080 1283964551 /nfs/dbraw/zinc/96/45/51/1283964551.db2.gz YDCWQWZQZMXRKW-GFCCVEGCSA-N -1 1 352.402 0.645 20 30 FCEDMM CCc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590916476 1283965886 /nfs/dbraw/zinc/96/58/86/1283965886.db2.gz PTAZQXZNISFCAE-SMDDNHRTSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590916476 1283965892 /nfs/dbraw/zinc/96/58/92/1283965892.db2.gz PTAZQXZNISFCAE-SMDDNHRTSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(NCCOCCN(C)C(=O)[C@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001590922130 1283971995 /nfs/dbraw/zinc/97/19/95/1283971995.db2.gz CXKSFARIECTZLH-LLVKDONJSA-N -1 1 373.421 0.266 20 30 FCEDMM CCc1nc(NCCOCCN(C)C(=O)[C@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001590922130 1283972005 /nfs/dbraw/zinc/97/20/05/1283972005.db2.gz CXKSFARIECTZLH-LLVKDONJSA-N -1 1 373.421 0.266 20 30 FCEDMM CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001590944678 1283993820 /nfs/dbraw/zinc/99/38/20/1283993820.db2.gz UAHGVSAMPNWSBD-OAHLLOKOSA-N -1 1 354.353 0.982 20 30 FCEDMM CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001590944678 1283993826 /nfs/dbraw/zinc/99/38/26/1283993826.db2.gz UAHGVSAMPNWSBD-OAHLLOKOSA-N -1 1 354.353 0.982 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc(C#N)c2)c1=O ZINC001590950222 1283998744 /nfs/dbraw/zinc/99/87/44/1283998744.db2.gz XHRBUAFVUNBNPO-UHFFFAOYSA-N -1 1 353.342 0.161 20 30 FCEDMM CN(C(=O)CSCC#N)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590984074 1284040546 /nfs/dbraw/zinc/04/05/46/1284040546.db2.gz AGSVXAHEUQPKGD-LBPRGKRZSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C(=O)CSCC#N)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590984074 1284040554 /nfs/dbraw/zinc/04/05/54/1284040554.db2.gz AGSVXAHEUQPKGD-LBPRGKRZSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001591058862 1284120208 /nfs/dbraw/zinc/12/02/08/1284120208.db2.gz YYZYJJXGYUDLAC-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001591058862 1284120212 /nfs/dbraw/zinc/12/02/12/1284120212.db2.gz YYZYJJXGYUDLAC-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001591160038 1284234843 /nfs/dbraw/zinc/23/48/43/1284234843.db2.gz JYMMPBRBZVVMMS-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001591160038 1284234852 /nfs/dbraw/zinc/23/48/52/1284234852.db2.gz JYMMPBRBZVVMMS-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001591160448 1284236969 /nfs/dbraw/zinc/23/69/69/1284236969.db2.gz WONLQTKRSKHMDI-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC001591160448 1284236985 /nfs/dbraw/zinc/23/69/85/1284236985.db2.gz WONLQTKRSKHMDI-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM COC(=O)Cc1sccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591271023 1284423647 /nfs/dbraw/zinc/42/36/47/1284423647.db2.gz YBYOBTZICAGBFF-UHFFFAOYSA-N -1 1 358.343 0.491 20 30 FCEDMM COc1cc(C#N)ccc1COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001591506908 1284692561 /nfs/dbraw/zinc/69/25/61/1284692561.db2.gz SHJQNMARWLPYMP-SECBINFHSA-N -1 1 354.330 0.643 20 30 FCEDMM COc1ccc([C@H](CO)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001591578729 1284749814 /nfs/dbraw/zinc/74/98/14/1284749814.db2.gz RKIRWAWNVQCCDN-NSHDSACASA-N -1 1 352.358 0.725 20 30 FCEDMM COc1ccc([C@H](CO)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001591578729 1284749824 /nfs/dbraw/zinc/74/98/24/1284749824.db2.gz RKIRWAWNVQCCDN-NSHDSACASA-N -1 1 352.358 0.725 20 30 FCEDMM COc1cccc(COCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591640306 1284774897 /nfs/dbraw/zinc/77/48/97/1284774897.db2.gz TXRJRIICRSORCW-UHFFFAOYSA-N -1 1 354.330 0.625 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001591735808 1284866864 /nfs/dbraw/zinc/86/68/64/1284866864.db2.gz YAUOTSKSNUJPQJ-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001591735808 1284866874 /nfs/dbraw/zinc/86/68/74/1284866874.db2.gz YAUOTSKSNUJPQJ-DGCLKSJQSA-N -1 1 352.402 0.577 20 30 FCEDMM Cc1c(Br)c(C)n(NC(=O)[C@@H](C)C#N)c(=O)c1-c1nn[n-]n1 ZINC001591799295 1284913449 /nfs/dbraw/zinc/91/34/49/1284913449.db2.gz GYBGCEZSFYEWKV-YFKPBYRVSA-N -1 1 366.179 0.638 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)n1 ZINC001591891543 1284979800 /nfs/dbraw/zinc/97/98/00/1284979800.db2.gz KERVXFJPLOKBHE-NFAWXSAZSA-N -1 1 366.429 0.850 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)n1 ZINC001591891543 1284979808 /nfs/dbraw/zinc/97/98/08/1284979808.db2.gz KERVXFJPLOKBHE-NFAWXSAZSA-N -1 1 366.429 0.850 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)n1 ZINC001591893769 1284983469 /nfs/dbraw/zinc/98/34/69/1284983469.db2.gz RVMSVFFZCBFOHT-FZMZJTMJSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)n1 ZINC001591893769 1284983475 /nfs/dbraw/zinc/98/34/75/1284983475.db2.gz RVMSVFFZCBFOHT-FZMZJTMJSA-N -1 1 354.418 0.883 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1nccnc1-c1nnn[n-]1 ZINC001604735036 1287760540 /nfs/dbraw/zinc/76/05/40/1287760540.db2.gz WJEKEAPCQJHNQS-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1nccnc1-c1nn[n-]n1 ZINC001604735036 1287760547 /nfs/dbraw/zinc/76/05/47/1287760547.db2.gz WJEKEAPCQJHNQS-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM CN(CCCOc1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001604755942 1287764961 /nfs/dbraw/zinc/76/49/61/1287764961.db2.gz DVNVCANZLGMOBZ-UHFFFAOYSA-N -1 1 366.385 0.862 20 30 FCEDMM Cc1nsc(N2CCN(C(=O)CC3(C#N)CC3)CC2)c1-c1nn[n-]n1 ZINC001592474686 1285414143 /nfs/dbraw/zinc/41/41/43/1285414143.db2.gz BUJNRLSHIJSNJM-UHFFFAOYSA-N -1 1 358.431 0.974 20 30 FCEDMM Cn1c(C#N)ccc1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001592546845 1285455601 /nfs/dbraw/zinc/45/56/01/1285455601.db2.gz ZSVBXLFVIXVLCH-UHFFFAOYSA-N -1 1 374.368 0.969 20 30 FCEDMM N#C[C@]1(C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001592670133 1285566007 /nfs/dbraw/zinc/56/60/07/1285566007.db2.gz XVIMIXGUIYQTDP-MRXNPFEDSA-N -1 1 373.442 0.897 20 30 FCEDMM N#CCSCC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592679195 1285574830 /nfs/dbraw/zinc/57/48/30/1285574830.db2.gz IOVKRIMXWHYKEX-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592679195 1285574835 /nfs/dbraw/zinc/57/48/35/1285574835.db2.gz IOVKRIMXWHYKEX-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592679253 1285576966 /nfs/dbraw/zinc/57/69/66/1285576966.db2.gz KLNSWZMVHJPNSK-UHFFFAOYSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592679253 1285576969 /nfs/dbraw/zinc/57/69/69/1285576969.db2.gz KLNSWZMVHJPNSK-UHFFFAOYSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001592679663 1285578016 /nfs/dbraw/zinc/57/80/16/1285578016.db2.gz YKBTYPMFBXQFTK-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001592679663 1285578020 /nfs/dbraw/zinc/57/80/20/1285578020.db2.gz YKBTYPMFBXQFTK-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCOc1cccc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592680549 1285578780 /nfs/dbraw/zinc/57/87/80/1285578780.db2.gz TWWQRLGWAFPHCI-UHFFFAOYSA-N -1 1 354.334 0.182 20 30 FCEDMM N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001592682336 1285581253 /nfs/dbraw/zinc/58/12/53/1285581253.db2.gz WBBCFGOSVKJPBQ-VWYCJHECSA-N -1 1 371.430 0.139 20 30 FCEDMM N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001592682336 1285581260 /nfs/dbraw/zinc/58/12/60/1285581260.db2.gz WBBCFGOSVKJPBQ-VWYCJHECSA-N -1 1 371.430 0.139 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(N3CCNC3=O)cc2)nc1-c1nn[nH]n1 ZINC001592681552 1285581825 /nfs/dbraw/zinc/58/18/25/1285581825.db2.gz FRRPUYYVXPUBKP-UHFFFAOYSA-N -1 1 364.329 0.243 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001592690624 1285585740 /nfs/dbraw/zinc/58/57/40/1285585740.db2.gz NFTHVUUZZFHLCV-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001592690624 1285585746 /nfs/dbraw/zinc/58/57/46/1285585746.db2.gz NFTHVUUZZFHLCV-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001592690607 1285586148 /nfs/dbraw/zinc/58/61/48/1285586148.db2.gz MCTYTSMYBMPZKP-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001592690607 1285586157 /nfs/dbraw/zinc/58/61/57/1285586157.db2.gz MCTYTSMYBMPZKP-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccn1 ZINC001592688446 1285586705 /nfs/dbraw/zinc/58/67/05/1285586705.db2.gz ZRUBJQGSVIJLLH-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(CO)c1 ZINC001592695551 1285589055 /nfs/dbraw/zinc/58/90/55/1285589055.db2.gz VBLQPWLGLVEXFG-UHFFFAOYSA-N -1 1 362.397 0.952 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(CO)c1 ZINC001592695551 1285589061 /nfs/dbraw/zinc/58/90/61/1285589061.db2.gz VBLQPWLGLVEXFG-UHFFFAOYSA-N -1 1 362.397 0.952 20 30 FCEDMM N#Cc1nc(NC[C@H](O)C(F)(F)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592707781 1285593843 /nfs/dbraw/zinc/59/38/43/1285593843.db2.gz BJENZOKETQDXNJ-YFKPBYRVSA-N -1 1 350.211 0.499 20 30 FCEDMM N#Cc1nc(NC[C@H](O)C(F)(F)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592707781 1285593848 /nfs/dbraw/zinc/59/38/48/1285593848.db2.gz BJENZOKETQDXNJ-YFKPBYRVSA-N -1 1 350.211 0.499 20 30 FCEDMM N#Cc1nc(N2CCc3c(nnn3-c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001592706378 1285593978 /nfs/dbraw/zinc/59/39/78/1285593978.db2.gz XOOCSAVAEREVKR-UHFFFAOYSA-N -1 1 371.368 0.672 20 30 FCEDMM N#Cc1nc(N2CCc3c(nnn3-c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001592706378 1285593979 /nfs/dbraw/zinc/59/39/79/1285593979.db2.gz XOOCSAVAEREVKR-UHFFFAOYSA-N -1 1 371.368 0.672 20 30 FCEDMM N#Cc1nc(NCc2nnc3ccc(Cl)cn32)cnc1-c1nnn[n-]1 ZINC001592707735 1285594386 /nfs/dbraw/zinc/59/43/86/1285594386.db2.gz YYUPNCRPRFQUBO-UHFFFAOYSA-N -1 1 353.737 0.837 20 30 FCEDMM N#Cc1nc(NCc2nnc3ccc(Cl)cn32)cnc1-c1nn[n-]n1 ZINC001592707735 1285594409 /nfs/dbraw/zinc/59/44/09/1285594409.db2.gz YYUPNCRPRFQUBO-UHFFFAOYSA-N -1 1 353.737 0.837 20 30 FCEDMM N#Cc1ncc(NCCNC(=O)Cc2cccc(F)c2)nc1-c1nn[n-]n1 ZINC001592710162 1285596969 /nfs/dbraw/zinc/59/69/69/1285596969.db2.gz HRWMJUAMRHMQCA-UHFFFAOYSA-N -1 1 367.348 0.438 20 30 FCEDMM N#Cc1sccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001592711973 1285597024 /nfs/dbraw/zinc/59/70/24/1285597024.db2.gz SLWRQPJJRIFHBE-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM N#Cc1sccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001592711973 1285597032 /nfs/dbraw/zinc/59/70/32/1285597032.db2.gz SLWRQPJJRIFHBE-UHFFFAOYSA-N -1 1 371.386 0.612 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001592766637 1285688033 /nfs/dbraw/zinc/68/80/33/1285688033.db2.gz PQILBLKVZVSNSV-GXTWGEPZSA-N -1 1 350.386 0.107 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001592766637 1285688041 /nfs/dbraw/zinc/68/80/41/1285688041.db2.gz PQILBLKVZVSNSV-GXTWGEPZSA-N -1 1 350.386 0.107 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592767954 1285691185 /nfs/dbraw/zinc/69/11/85/1285691185.db2.gz TVEMMAZEMVLLMY-UGSOOPFHSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592767954 1285691188 /nfs/dbraw/zinc/69/11/88/1285691188.db2.gz 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O=C(C#CC1CC1)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001592768616 1285693628 /nfs/dbraw/zinc/69/36/28/1285693628.db2.gz MPPUHZWJVGJEOI-AWEZNQCLSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001592769264 1285695310 /nfs/dbraw/zinc/69/53/10/1285695310.db2.gz TURWZMAGGKZQOP-STQMWFEESA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001592769264 1285695315 /nfs/dbraw/zinc/69/53/15/1285695315.db2.gz TURWZMAGGKZQOP-STQMWFEESA-N -1 1 364.413 0.909 20 30 FCEDMM CN(C)C[C@@](C)(C#N)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609266189 1289029497 /nfs/dbraw/zinc/02/94/97/1289029497.db2.gz BBFLLQUGBWSUSW-CYBMUJFWSA-N -1 1 368.323 0.854 20 30 FCEDMM O=S(=O)(NN=Cc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001593444116 1286159115 /nfs/dbraw/zinc/15/91/15/1286159115.db2.gz AKJOADNRFSAUQQ-UHFFFAOYSA-N -1 1 353.364 0.775 20 30 FCEDMM O=S(=O)(NN=Cc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001593444116 1286159118 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/nfs/dbraw/zinc/80/57/19/946805719.db2.gz BFRSDUGWQWBCNE-FZMZJTMJSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573286504 946808970 /nfs/dbraw/zinc/80/89/70/946808970.db2.gz CSKSCTSPVPUGCJ-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573286504 946808978 /nfs/dbraw/zinc/80/89/78/946808978.db2.gz CSKSCTSPVPUGCJ-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001573286544 946811459 /nfs/dbraw/zinc/81/14/59/946811459.db2.gz DROXFBAATAESDP-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001573286544 946811470 /nfs/dbraw/zinc/81/14/70/946811470.db2.gz DROXFBAATAESDP-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573286952 946824676 /nfs/dbraw/zinc/82/46/76/946824676.db2.gz CTGKIHDHSXFXMA-GFCCVEGCSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573286952 946824683 /nfs/dbraw/zinc/82/46/83/946824683.db2.gz CTGKIHDHSXFXMA-GFCCVEGCSA-N -1 1 363.385 0.654 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288702 946876105 /nfs/dbraw/zinc/87/61/05/946876105.db2.gz YAICCIZAXGANGQ-NWDGAFQWSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288702 946876116 /nfs/dbraw/zinc/87/61/16/946876116.db2.gz YAICCIZAXGANGQ-NWDGAFQWSA-N -1 1 372.433 0.564 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001573289262 946883705 /nfs/dbraw/zinc/88/37/05/946883705.db2.gz XPWUJMKFJDVBHP-NSHDSACASA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001573289262 946883716 /nfs/dbraw/zinc/88/37/16/946883716.db2.gz XPWUJMKFJDVBHP-NSHDSACASA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)nc1 ZINC001573290324 946902090 /nfs/dbraw/zinc/90/20/90/946902090.db2.gz WNFXOKXLNIGDLI-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)nc1 ZINC001573290324 946902098 /nfs/dbraw/zinc/90/20/98/946902098.db2.gz WNFXOKXLNIGDLI-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)nc1 ZINC001573290429 946904786 /nfs/dbraw/zinc/90/47/86/946904786.db2.gz JPENZTAMTCYTKD-UHFFFAOYSA-N -1 1 365.357 0.055 20 30 FCEDMM C#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)nc1 ZINC001573290429 946904794 /nfs/dbraw/zinc/90/47/94/946904794.db2.gz JPENZTAMTCYTKD-UHFFFAOYSA-N -1 1 365.357 0.055 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573292944 946945500 /nfs/dbraw/zinc/94/55/00/946945500.db2.gz HRDNDAJYAKXCFW-NWDGAFQWSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)OCC ZINC001573293536 946960764 /nfs/dbraw/zinc/96/07/64/946960764.db2.gz ZRUHSNJKBLJZDQ-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)OCC ZINC001573293536 946960768 /nfs/dbraw/zinc/96/07/68/946960768.db2.gz ZRUHSNJKBLJZDQ-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573562130 946969914 /nfs/dbraw/zinc/96/99/14/946969914.db2.gz QXFYXZLEMMNJHU-RQJHMYQMSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573562130 946969924 /nfs/dbraw/zinc/96/99/24/946969924.db2.gz QXFYXZLEMMNJHU-RQJHMYQMSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573563632 946984832 /nfs/dbraw/zinc/98/48/32/946984832.db2.gz BOVHAUPLJSNHLO-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573563632 946984838 /nfs/dbraw/zinc/98/48/38/946984838.db2.gz BOVHAUPLJSNHLO-GHMZBOCLSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573565208 947002031 /nfs/dbraw/zinc/00/20/31/947002031.db2.gz OVIKDGZJQIUUBD-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573565208 947002039 /nfs/dbraw/zinc/00/20/39/947002039.db2.gz OVIKDGZJQIUUBD-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C=C(Cl)C[C@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)OCC ZINC001573295180 947010250 /nfs/dbraw/zinc/01/02/50/947010250.db2.gz PBOSUGBLUSDMIL-BDAKNGLRSA-N -1 1 368.785 0.210 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573565615 947010520 /nfs/dbraw/zinc/01/05/20/947010520.db2.gz SRPJKNUWYGUWDI-NSHDSACASA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573565615 947010537 /nfs/dbraw/zinc/01/05/37/947010537.db2.gz SRPJKNUWYGUWDI-NSHDSACASA-N -1 1 355.406 0.857 20 30 FCEDMM C=C(Cl)C[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OCC ZINC001573295460 947020706 /nfs/dbraw/zinc/02/07/06/947020706.db2.gz PUTXRJKRKFZNRJ-SNVBAGLBSA-N -1 1 368.781 0.896 20 30 FCEDMM C=C(Cl)C[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OCC ZINC001573295460 947020719 /nfs/dbraw/zinc/02/07/19/947020719.db2.gz PUTXRJKRKFZNRJ-SNVBAGLBSA-N -1 1 368.781 0.896 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573566947 947034820 /nfs/dbraw/zinc/03/48/20/947034820.db2.gz IISWRYXFCBYULL-GRYCIOLGSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573566947 947034832 /nfs/dbraw/zinc/03/48/32/947034832.db2.gz IISWRYXFCBYULL-GRYCIOLGSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573569539 947071822 /nfs/dbraw/zinc/07/18/22/947071822.db2.gz ATVRASHJMXOOGZ-MZPVMMEZSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573569539 947071834 /nfs/dbraw/zinc/07/18/34/947071834.db2.gz ATVRASHJMXOOGZ-MZPVMMEZSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573569581 947072281 /nfs/dbraw/zinc/07/22/81/947072281.db2.gz BPYMKFVNKJPDNU-UVWXRNBGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573569581 947072290 /nfs/dbraw/zinc/07/22/90/947072290.db2.gz BPYMKFVNKJPDNU-UVWXRNBGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573570010 947082144 /nfs/dbraw/zinc/08/21/44/947082144.db2.gz HYJJWIXQBOQWQY-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573570010 947082155 /nfs/dbraw/zinc/08/21/55/947082155.db2.gz HYJJWIXQBOQWQY-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573570326 947086015 /nfs/dbraw/zinc/08/60/15/947086015.db2.gz MRZSPTLQQJCQQZ-PEBVRCNWSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573570326 947086023 /nfs/dbraw/zinc/08/60/23/947086023.db2.gz MRZSPTLQQJCQQZ-PEBVRCNWSA-N -1 1 367.417 0.857 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(=O)OC ZINC001573300184 947106475 /nfs/dbraw/zinc/10/64/75/947106475.db2.gz OOLOSAWKPXKZFJ-VIFPVBQESA-N -1 1 352.376 0.048 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573572240 947111227 /nfs/dbraw/zinc/11/12/27/947111227.db2.gz GCGULGZGSVKNND-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573572240 947111231 /nfs/dbraw/zinc/11/12/31/947111231.db2.gz GCGULGZGSVKNND-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573572238 947111414 /nfs/dbraw/zinc/11/14/14/947111414.db2.gz GCGULGZGSVKNND-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573572238 947111417 /nfs/dbraw/zinc/11/14/17/947111417.db2.gz GCGULGZGSVKNND-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573300510 947112634 /nfs/dbraw/zinc/11/26/34/947112634.db2.gz KZAXQGQQNYZRMF-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573300510 947112637 /nfs/dbraw/zinc/11/26/37/947112637.db2.gz KZAXQGQQNYZRMF-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573573449 947122249 /nfs/dbraw/zinc/12/22/49/947122249.db2.gz NHUFTSAWAMBWKH-RDWFRGEBSA-N -1 1 353.390 0.656 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573573449 947122254 /nfs/dbraw/zinc/12/22/54/947122254.db2.gz NHUFTSAWAMBWKH-RDWFRGEBSA-N -1 1 353.390 0.656 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573573807 947127121 /nfs/dbraw/zinc/12/71/21/947127121.db2.gz PNIOKFPJQRQJOZ-PWSUYJOCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573573807 947127125 /nfs/dbraw/zinc/12/71/25/947127125.db2.gz PNIOKFPJQRQJOZ-PWSUYJOCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573574637 947129957 /nfs/dbraw/zinc/12/99/57/947129957.db2.gz SIHPFNNPSUCRAB-NSODJVPESA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573574637 947129961 /nfs/dbraw/zinc/12/99/61/947129961.db2.gz SIHPFNNPSUCRAB-NSODJVPESA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573574753 947133071 /nfs/dbraw/zinc/13/30/71/947133071.db2.gz UHRGXBAITFTKLC-PWSUYJOCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573574753 947133076 /nfs/dbraw/zinc/13/30/76/947133076.db2.gz UHRGXBAITFTKLC-PWSUYJOCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573575035 947134746 /nfs/dbraw/zinc/13/47/46/947134746.db2.gz VMZPVLMPZHMHNT-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573575035 947134751 /nfs/dbraw/zinc/13/47/51/947134751.db2.gz VMZPVLMPZHMHNT-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573575348 947136983 /nfs/dbraw/zinc/13/69/83/947136983.db2.gz XNIIOJQDGAEXAB-JQWIXIFHSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573575348 947136992 /nfs/dbraw/zinc/13/69/92/947136992.db2.gz XNIIOJQDGAEXAB-JQWIXIFHSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573575336 947137369 /nfs/dbraw/zinc/13/73/69/947137369.db2.gz XHOZROZVPJMYBG-RDWFRGEBSA-N -1 1 353.390 0.078 20 30 FCEDMM 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YAJFQMLXSWMITI-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@H](C)CC(=O)N1CCNCC1 ZINC001577643552 1274633803 /nfs/dbraw/zinc/63/38/03/1274633803.db2.gz IRYSZCFVGJFHOD-CYBMUJFWSA-N -1 1 359.430 0.640 20 30 FCEDMM CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578191075 1275481080 /nfs/dbraw/zinc/48/10/80/1275481080.db2.gz YUPVHDYICUVCAL-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578191075 1275481082 /nfs/dbraw/zinc/48/10/82/1275481082.db2.gz YUPVHDYICUVCAL-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001578380613 1275758356 /nfs/dbraw/zinc/75/83/56/1275758356.db2.gz VMFHDXRFLIRMKQ-NQBHXWOUSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001578380613 1275758362 /nfs/dbraw/zinc/75/83/62/1275758362.db2.gz VMFHDXRFLIRMKQ-NQBHXWOUSA-N -1 1 371.405 0.092 20 30 FCEDMM CCS(=O)(=O)c1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001578416371 1275785973 /nfs/dbraw/zinc/78/59/73/1275785973.db2.gz SQEYKQFHJGHZNC-UHFFFAOYSA-N -1 1 370.398 0.934 20 30 FCEDMM CCS(=O)(=O)c1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001578416371 1275785981 /nfs/dbraw/zinc/78/59/81/1275785981.db2.gz SQEYKQFHJGHZNC-UHFFFAOYSA-N -1 1 370.398 0.934 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578626262 1276068785 /nfs/dbraw/zinc/06/87/85/1276068785.db2.gz GFJVGOYVCGQFLG-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578626262 1276068792 /nfs/dbraw/zinc/06/87/92/1276068792.db2.gz GFJVGOYVCGQFLG-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579092128 1276730464 /nfs/dbraw/zinc/73/04/64/1276730464.db2.gz AYIUYDFXZNTZBV-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM CN(Cc1ccc([S@](C)=O)cc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579253323 1277050580 /nfs/dbraw/zinc/05/05/80/1277050580.db2.gz MPAUPCOIUNTLSJ-VWLOTQADSA-N -1 1 354.399 0.902 20 30 FCEDMM CN(Cc1ccc([S@](C)=O)cc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579253323 1277050589 /nfs/dbraw/zinc/05/05/89/1277050589.db2.gz MPAUPCOIUNTLSJ-VWLOTQADSA-N -1 1 354.399 0.902 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579275692 1277080969 /nfs/dbraw/zinc/08/09/69/1277080969.db2.gz FDSXBVVHZFOCRM-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579275692 1277080974 /nfs/dbraw/zinc/08/09/74/1277080974.db2.gz FDSXBVVHZFOCRM-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001579279305 1277093329 /nfs/dbraw/zinc/09/33/29/1277093329.db2.gz ADMJQXJTFGJRLF-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC001579285218 1277106380 /nfs/dbraw/zinc/10/63/80/1277106380.db2.gz SJRMMOKQLXINSX-ZDUSSCGKSA-N -1 1 361.369 0.770 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC001579285218 1277106384 /nfs/dbraw/zinc/10/63/84/1277106384.db2.gz SJRMMOKQLXINSX-ZDUSSCGKSA-N -1 1 361.369 0.770 20 30 FCEDMM CNC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579386139 1277267161 /nfs/dbraw/zinc/26/71/61/1277267161.db2.gz AONXCFMHZNRJDT-ZDUSSCGKSA-N -1 1 361.369 0.206 20 30 FCEDMM COC(=O)c1cccc2c1CN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001579487606 1277397045 /nfs/dbraw/zinc/39/70/45/1277397045.db2.gz MZWKEGSOSDQMCB-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)s1 ZINC001580170058 1278025816 /nfs/dbraw/zinc/02/58/16/1278025816.db2.gz USAYIWIIYPCJGA-UHFFFAOYSA-N -1 1 364.372 0.179 20 30 FCEDMM Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581137623 1279438316 /nfs/dbraw/zinc/43/83/16/1279438316.db2.gz CMMUUQZTUWIPAO-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581137623 1279438322 /nfs/dbraw/zinc/43/83/22/1279438322.db2.gz CMMUUQZTUWIPAO-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1C#N ZINC001581197159 1279497707 /nfs/dbraw/zinc/49/77/07/1279497707.db2.gz PKXJHCXQTAAHDR-UHFFFAOYSA-N -1 1 352.362 0.138 20 30 FCEDMM Cc1csc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)n1 ZINC001581385905 1279815766 /nfs/dbraw/zinc/81/57/66/1279815766.db2.gz NCRNENVOERNBAY-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1csc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)n1 ZINC001581385905 1279815769 /nfs/dbraw/zinc/81/57/69/1279815769.db2.gz NCRNENVOERNBAY-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001603459266 1287378162 /nfs/dbraw/zinc/37/81/62/1287378162.db2.gz TVOLVHCIUXHRQF-UWVGGRQHSA-N -1 1 361.435 0.031 20 30 FCEDMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1-c1nn[n-]n1 ZINC001581714101 1280409078 /nfs/dbraw/zinc/40/90/78/1280409078.db2.gz GKAYKNSULKTSGN-WCBMZHEXSA-N -1 1 362.419 0.431 20 30 FCEDMM Cn1ncc2c1CC(C)(C)CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001581833762 1280582484 /nfs/dbraw/zinc/58/24/84/1280582484.db2.gz FDIJPXBPQLMREH-UHFFFAOYSA-N -1 1 350.390 0.851 20 30 FCEDMM Cn1ncc2c1CC(C)(C)CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001581833762 1280582492 /nfs/dbraw/zinc/58/24/92/1280582492.db2.gz FDIJPXBPQLMREH-UHFFFAOYSA-N -1 1 350.390 0.851 20 30 FCEDMM N#CCSc1cccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001581858479 1280609255 /nfs/dbraw/zinc/60/92/55/1280609255.db2.gz IARNTTRAEJVTBB-UHFFFAOYSA-N -1 1 355.387 0.504 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccnc2OCC(F)F)nc1-c1nn[nH]n1 ZINC001581860875 1280614728 /nfs/dbraw/zinc/61/47/28/1280614728.db2.gz XPOVEATTZVVJFM-UHFFFAOYSA-N -1 1 361.272 0.753 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581869414 1280624558 /nfs/dbraw/zinc/62/45/58/1280624558.db2.gz XLDMQLWZPKTDHA-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581869414 1280624564 /nfs/dbraw/zinc/62/45/64/1280624564.db2.gz XLDMQLWZPKTDHA-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001581874536 1280629698 /nfs/dbraw/zinc/62/96/98/1280629698.db2.gz VSCLKKLRUIJTAO-ZDUSSCGKSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001581874536 1280629702 /nfs/dbraw/zinc/62/97/02/1280629702.db2.gz VSCLKKLRUIJTAO-ZDUSSCGKSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1nc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001581878371 1280635684 /nfs/dbraw/zinc/63/56/84/1280635684.db2.gz IQAIKKIGXZYFKN-KRWDZBQOSA-N -1 1 361.369 0.162 20 30 FCEDMM N#Cc1nc(N2CC[C@@](C(N)=O)(c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001581878371 1280635698 /nfs/dbraw/zinc/63/56/98/1280635698.db2.gz IQAIKKIGXZYFKN-KRWDZBQOSA-N -1 1 361.369 0.162 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880426 1280636898 /nfs/dbraw/zinc/63/68/98/1280636898.db2.gz JDQLAWOMEWDHPS-LLVKDONJSA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880426 1280636916 /nfs/dbraw/zinc/63/69/16/1280636916.db2.gz JDQLAWOMEWDHPS-LLVKDONJSA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1nc(N[C@@H]2CC(=O)N(c3ccccc3F)C2)cnc1-c1nnn[n-]1 ZINC001581880505 1280638275 /nfs/dbraw/zinc/63/82/75/1280638275.db2.gz MKRASXJUFWUWOH-SECBINFHSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@@H]2CC(=O)N(c3ccccc3F)C2)cnc1-c1nn[n-]n1 ZINC001581880505 1280638286 /nfs/dbraw/zinc/63/82/86/1280638286.db2.gz MKRASXJUFWUWOH-SECBINFHSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581879328 1280638662 /nfs/dbraw/zinc/63/86/62/1280638662.db2.gz GNAKKGZPVZZVLB-UHFFFAOYSA-N -1 1 363.267 0.159 20 30 FCEDMM N#Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581879328 1280638672 /nfs/dbraw/zinc/63/86/72/1280638672.db2.gz GNAKKGZPVZZVLB-UHFFFAOYSA-N -1 1 363.267 0.159 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880204 1280639016 /nfs/dbraw/zinc/63/90/16/1280639016.db2.gz CSLVBPYYCQTYSW-SECBINFHSA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880204 1280639023 /nfs/dbraw/zinc/63/90/23/1280639023.db2.gz CSLVBPYYCQTYSW-SECBINFHSA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1nc(N2CCN(c3ccccc3F)CC2)cnc1-c1nnn[n-]1 ZINC001581879222 1280639297 /nfs/dbraw/zinc/63/92/97/1280639297.db2.gz BWTMHNALWAFJQG-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1nc(N2CCN(c3ccccc3F)CC2)cnc1-c1nn[n-]n1 ZINC001581879222 1280639304 /nfs/dbraw/zinc/63/93/04/1280639304.db2.gz BWTMHNALWAFJQG-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1nc(NCCn2ccc(C(F)(F)F)n2)cnc1-c1nnn[n-]1 ZINC001581881040 1280640427 /nfs/dbraw/zinc/64/04/27/1280640427.db2.gz FZSOZEXDGGOEMP-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM N#Cc1nc(NCCn2ccc(C(F)(F)F)n2)cnc1-c1nn[n-]n1 ZINC001581881040 1280640438 /nfs/dbraw/zinc/64/04/38/1280640438.db2.gz FZSOZEXDGGOEMP-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM N#Cc1ncc(N2CC(=O)N(CCC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581881942 1280641707 /nfs/dbraw/zinc/64/17/07/1280641707.db2.gz FVMXICXPKYGZSF-UHFFFAOYSA-N -1 1 353.268 0.087 20 30 FCEDMM N#Cc1ncc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581882173 1280643409 /nfs/dbraw/zinc/64/34/09/1280643409.db2.gz NYIQIAUKQWSPSQ-SSDOTTSWSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)nc1-c1nn[n-]n1 ZINC001581882889 1280644873 /nfs/dbraw/zinc/64/48/73/1280644873.db2.gz KSXJLNUBVYADKB-NWDGAFQWSA-N -1 1 361.369 0.234 20 30 FCEDMM N#Cc1ncc(NCC(=O)N2CCc3ccccc3C2)nc1-c1nn[n-]n1 ZINC001581883269 1280646927 /nfs/dbraw/zinc/64/69/27/1280646927.db2.gz ULXOIYSKKUMCIP-UHFFFAOYSA-N -1 1 361.369 0.525 20 30 FCEDMM N#Cc1ncc(NCc2cccc(N3CCOCC3)n2)nc1-c1nn[n-]n1 ZINC001581884393 1280649522 /nfs/dbraw/zinc/64/95/22/1280649522.db2.gz YCXQWGCXZITZKK-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(NCCN2C[C@H]3CCCCN3C2=O)nc1-c1nn[n-]n1 ZINC001581884422 1280650259 /nfs/dbraw/zinc/65/02/59/1280650259.db2.gz ZCYFLGLXZCCBCK-SNVBAGLBSA-N -1 1 354.378 0.230 20 30 FCEDMM N#Cc1ncc(NCCc2nc3c(s2)COCC3)nc1-c1nn[n-]n1 ZINC001581884313 1280650783 /nfs/dbraw/zinc/65/07/83/1280650783.db2.gz UQASSJMGJQZMNE-UHFFFAOYSA-N -1 1 355.387 0.712 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581912569 1280715366 /nfs/dbraw/zinc/71/53/66/1280715366.db2.gz PSKDAPLDJKTQOB-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581912569 1280715370 /nfs/dbraw/zinc/71/53/70/1280715370.db2.gz PSKDAPLDJKTQOB-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@H]1CN(c2ccnc(C#N)n2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603941958 1287541530 /nfs/dbraw/zinc/54/15/30/1287541530.db2.gz XAUIVWRAAAQZFA-NSHDSACASA-N -1 1 363.389 0.281 20 30 FCEDMM N#Cc1cn(CCC(=O)Nc2ccn(-c3ccncc3)n2)c(=O)[n-]c1=O ZINC001586324452 1282293756 /nfs/dbraw/zinc/29/37/56/1282293756.db2.gz PRIGPJWEKDGDLP-UHFFFAOYSA-N -1 1 351.326 0.430 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001588328623 1282421949 /nfs/dbraw/zinc/42/19/49/1282421949.db2.gz MFUQESFRKAHYQJ-GHMZBOCLSA-N -1 1 353.429 0.528 20 30 FCEDMM C#C[C@H]1CCCN(c2nnc(-c3c[nH]c(=O)c(-c4nn[n-]n4)c3)n2C)C1 ZINC001588332944 1282424694 /nfs/dbraw/zinc/42/46/94/1282424694.db2.gz WOBQKSYTDUAYQV-JTQLQIEISA-N -1 1 351.374 0.612 20 30 FCEDMM C#CC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001588333352 1282424754 /nfs/dbraw/zinc/42/47/54/1282424754.db2.gz NCIPMTOOJBKZMB-UHFFFAOYSA-N -1 1 367.818 0.669 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588338104 1282430527 /nfs/dbraw/zinc/43/05/27/1282430527.db2.gz GXVZDRUPRBOYHE-ZDUSSCGKSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588338104 1282430531 /nfs/dbraw/zinc/43/05/31/1282430531.db2.gz GXVZDRUPRBOYHE-ZDUSSCGKSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001588338402 1282430673 /nfs/dbraw/zinc/43/06/73/1282430673.db2.gz KTDHXBCQQPEPNF-ACJLOTCBSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001588338402 1282430677 /nfs/dbraw/zinc/43/06/77/1282430677.db2.gz KTDHXBCQQPEPNF-ACJLOTCBSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588338376 1282431008 /nfs/dbraw/zinc/43/10/08/1282431008.db2.gz KMHPVFCYKPGSPE-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588338376 1282431013 /nfs/dbraw/zinc/43/10/13/1282431013.db2.gz KMHPVFCYKPGSPE-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588339295 1282433006 /nfs/dbraw/zinc/43/30/06/1282433006.db2.gz NKJUMSSSOHONTL-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588339295 1282433011 /nfs/dbraw/zinc/43/30/11/1282433011.db2.gz NKJUMSSSOHONTL-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001588338837 1282433409 /nfs/dbraw/zinc/43/34/09/1282433409.db2.gz HZXORNMOZDMNSM-BETUJISGSA-N -1 1 352.402 0.355 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001588338837 1282433415 /nfs/dbraw/zinc/43/34/15/1282433415.db2.gz HZXORNMOZDMNSM-BETUJISGSA-N -1 1 352.402 0.355 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588339302 1282434269 /nfs/dbraw/zinc/43/42/69/1282434269.db2.gz NLKBTAWUBVGFFS-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588339391 1282435064 /nfs/dbraw/zinc/43/50/64/1282435064.db2.gz ZJFVBJWMRHIRKV-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588339391 1282435065 /nfs/dbraw/zinc/43/50/65/1282435065.db2.gz ZJFVBJWMRHIRKV-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588340624 1282436363 /nfs/dbraw/zinc/43/63/63/1282436363.db2.gz YKXIHPWGGPJUHA-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588340624 1282436365 /nfs/dbraw/zinc/43/63/65/1282436365.db2.gz YKXIHPWGGPJUHA-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588344124 1282440078 /nfs/dbraw/zinc/44/00/78/1282440078.db2.gz DFBCGMMEABXMHT-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCCCC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344670 1282440339 /nfs/dbraw/zinc/44/03/39/1282440339.db2.gz ZKLXEUIQFKPGLT-KGLIPLIRSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCN(C)c1nnc(Cc2ccc(-c3nnn[n-]3)nc2)n1CCOC ZINC001588349987 1282445326 /nfs/dbraw/zinc/44/53/26/1282445326.db2.gz XDNZAFZXOXABCF-UHFFFAOYSA-N -1 1 353.390 0.160 20 30 FCEDMM C#CCN(C)c1nnc(Cc2ccc(-c3nn[n-]n3)nc2)n1CCOC ZINC001588349987 1282445332 /nfs/dbraw/zinc/44/53/32/1282445332.db2.gz XDNZAFZXOXABCF-UHFFFAOYSA-N -1 1 353.390 0.160 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355300 1282452934 /nfs/dbraw/zinc/45/29/34/1282452934.db2.gz FRQIMWXQNVAPLN-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355300 1282452938 /nfs/dbraw/zinc/45/29/38/1282452938.db2.gz FRQIMWXQNVAPLN-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001588355361 1282453559 /nfs/dbraw/zinc/45/35/59/1282453559.db2.gz HFHSARDOMLEHPL-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001588355361 1282453562 /nfs/dbraw/zinc/45/35/62/1282453562.db2.gz HFHSARDOMLEHPL-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355570 1282454903 /nfs/dbraw/zinc/45/49/03/1282454903.db2.gz JVGRNRQLUYYIKE-PWSUYJOCSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355570 1282454910 /nfs/dbraw/zinc/45/49/10/1282454910.db2.gz JVGRNRQLUYYIKE-PWSUYJOCSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588355782 1282455835 /nfs/dbraw/zinc/45/58/35/1282455835.db2.gz MNUBBCZNYOOYLI-RYUDHWBXSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588355782 1282455840 /nfs/dbraw/zinc/45/58/40/1282455840.db2.gz MNUBBCZNYOOYLI-RYUDHWBXSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588355561 1282456047 /nfs/dbraw/zinc/45/60/47/1282456047.db2.gz JUDYTGONCYMUEF-JGVFFNPUSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588355561 1282456050 /nfs/dbraw/zinc/45/60/50/1282456050.db2.gz JUDYTGONCYMUEF-JGVFFNPUSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588357313 1282464508 /nfs/dbraw/zinc/46/45/08/1282464508.db2.gz LCMQJOLOZLVWMM-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588357282 1282464959 /nfs/dbraw/zinc/46/49/59/1282464959.db2.gz KLEZVTFJFXQVQR-CMPLNLGQSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588357282 1282464966 /nfs/dbraw/zinc/46/49/66/1282464966.db2.gz KLEZVTFJFXQVQR-CMPLNLGQSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357432 1282465236 /nfs/dbraw/zinc/46/52/36/1282465236.db2.gz JWLZGOLRYREDLN-RISCZKNCSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357432 1282465243 /nfs/dbraw/zinc/46/52/43/1282465243.db2.gz JWLZGOLRYREDLN-RISCZKNCSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588358427 1282469045 /nfs/dbraw/zinc/46/90/45/1282469045.db2.gz XAPYPLYWHXPVNS-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588358427 1282469050 /nfs/dbraw/zinc/46/90/50/1282469050.db2.gz XAPYPLYWHXPVNS-ZYHUDNBSSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CC)c1snc(C)c1-c1nn[n-]n1 ZINC001588358036 1282469205 /nfs/dbraw/zinc/46/92/05/1282469205.db2.gz SIUYARRSPGRPET-LLVKDONJSA-N -1 1 363.447 0.612 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588358639 1282470649 /nfs/dbraw/zinc/47/06/49/1282470649.db2.gz ULVOEDTXSCQUGQ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588358639 1282470652 /nfs/dbraw/zinc/47/06/52/1282470652.db2.gz ULVOEDTXSCQUGQ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588358489 1282470797 /nfs/dbraw/zinc/47/07/97/1282470797.db2.gz XWEZAABGDDQWNQ-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588358489 1282470803 /nfs/dbraw/zinc/47/08/03/1282470803.db2.gz XWEZAABGDDQWNQ-ZDUSSCGKSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358726 1282471061 /nfs/dbraw/zinc/47/10/61/1282471061.db2.gz ACSXIILPTBDTOO-VXGBXAGGSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358726 1282471065 /nfs/dbraw/zinc/47/10/65/1282471065.db2.gz ACSXIILPTBDTOO-VXGBXAGGSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588359361 1282474284 /nfs/dbraw/zinc/47/42/84/1282474284.db2.gz MCBSVNPSXQGOAJ-ZDUSSCGKSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588359361 1282474289 /nfs/dbraw/zinc/47/42/89/1282474289.db2.gz MCBSVNPSXQGOAJ-ZDUSSCGKSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001588359404 1282474428 /nfs/dbraw/zinc/47/44/28/1282474428.db2.gz NNQMOPNLZJTXOV-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001588359404 1282474433 /nfs/dbraw/zinc/47/44/33/1282474433.db2.gz NNQMOPNLZJTXOV-UHFFFAOYSA-N -1 1 370.417 0.538 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588359360 1282475302 /nfs/dbraw/zinc/47/53/02/1282475302.db2.gz MCBSVNPSXQGOAJ-CYBMUJFWSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588359360 1282475307 /nfs/dbraw/zinc/47/53/07/1282475307.db2.gz MCBSVNPSXQGOAJ-CYBMUJFWSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588360039 1282476539 /nfs/dbraw/zinc/47/65/39/1282476539.db2.gz GNKLGXWDIPQNNZ-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588360039 1282476545 /nfs/dbraw/zinc/47/65/45/1282476545.db2.gz GNKLGXWDIPQNNZ-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588361321 1282482686 /nfs/dbraw/zinc/48/26/86/1282482686.db2.gz JXVYHHFMEKIQTD-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588361321 1282482690 /nfs/dbraw/zinc/48/26/90/1282482690.db2.gz JXVYHHFMEKIQTD-GFCCVEGCSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001588361271 1282482872 /nfs/dbraw/zinc/48/28/72/1282482872.db2.gz IZVNXMDYYDSNQX-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001588361271 1282482877 /nfs/dbraw/zinc/48/28/77/1282482877.db2.gz IZVNXMDYYDSNQX-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588361311 1282483233 /nfs/dbraw/zinc/48/32/33/1282483233.db2.gz JUGLAJMLMXRRFU-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588361311 1282483235 /nfs/dbraw/zinc/48/32/35/1282483235.db2.gz JUGLAJMLMXRRFU-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364714 1282491052 /nfs/dbraw/zinc/49/10/52/1282491052.db2.gz LGYGCNSTGHAESX-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364714 1282491059 /nfs/dbraw/zinc/49/10/59/1282491059.db2.gz LGYGCNSTGHAESX-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588364826 1282491170 /nfs/dbraw/zinc/49/11/70/1282491170.db2.gz NHNAYVHNIDQSFV-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588364826 1282491174 /nfs/dbraw/zinc/49/11/74/1282491174.db2.gz NHNAYVHNIDQSFV-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#CCn1ccc(CN(CCOC)c2cc(-c3nnn[n-]3)nc(C)n2)n1 ZINC001588364552 1282491329 /nfs/dbraw/zinc/49/13/29/1282491329.db2.gz GGCWAIVFSFHHQS-UHFFFAOYSA-N -1 1 353.390 0.448 20 30 FCEDMM C#CCn1ccc(CN(CCOC)c2cc(-c3nn[n-]n3)nc(C)n2)n1 ZINC001588364552 1282491334 /nfs/dbraw/zinc/49/13/34/1282491334.db2.gz GGCWAIVFSFHHQS-UHFFFAOYSA-N -1 1 353.390 0.448 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364383 1282491634 /nfs/dbraw/zinc/49/16/34/1282491634.db2.gz CMKNJUWEHXGJKK-UHFFFAOYSA-N -1 1 362.397 0.846 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001588367845 1282493282 /nfs/dbraw/zinc/49/32/82/1282493282.db2.gz ODIZSMDWTOTEQI-AWEZNQCLSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc1 ZINC001588370117 1282493470 /nfs/dbraw/zinc/49/34/70/1282493470.db2.gz NZNMKQYNIHOJQJ-MLGOLLRUSA-N -1 1 374.408 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc1 ZINC001588370117 1282493473 /nfs/dbraw/zinc/49/34/73/1282493473.db2.gz NZNMKQYNIHOJQJ-MLGOLLRUSA-N -1 1 374.408 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588368734 1282493595 /nfs/dbraw/zinc/49/35/95/1282493595.db2.gz XONONAABJXMIJP-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001588380179 1282494962 /nfs/dbraw/zinc/49/49/62/1282494962.db2.gz WFZSSZZSBLCHKY-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001588380179 1282494969 /nfs/dbraw/zinc/49/49/69/1282494969.db2.gz WFZSSZZSBLCHKY-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588377297 1282495319 /nfs/dbraw/zinc/49/53/19/1282495319.db2.gz UFBCWGICWKZWCU-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588377297 1282495324 /nfs/dbraw/zinc/49/53/24/1282495324.db2.gz UFBCWGICWKZWCU-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001588380681 1282495501 /nfs/dbraw/zinc/49/55/01/1282495501.db2.gz KWXTUAONVPLVSJ-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001588380681 1282495507 /nfs/dbraw/zinc/49/55/07/1282495507.db2.gz KWXTUAONVPLVSJ-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588377344 1282496040 /nfs/dbraw/zinc/49/60/40/1282496040.db2.gz WEWKJUHRJZCZCB-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588377344 1282496047 /nfs/dbraw/zinc/49/60/47/1282496047.db2.gz WEWKJUHRJZCZCB-UHFFFAOYSA-N -1 1 362.397 0.433 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588391534 1282497786 /nfs/dbraw/zinc/49/77/86/1282497786.db2.gz MKDTXLBKCZWETF-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588391534 1282497794 /nfs/dbraw/zinc/49/77/94/1282497794.db2.gz MKDTXLBKCZWETF-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588392516 1282498085 /nfs/dbraw/zinc/49/80/85/1282498085.db2.gz CBJSVVRRXFKITQ-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588392516 1282498091 /nfs/dbraw/zinc/49/80/91/1282498091.db2.gz CBJSVVRRXFKITQ-LBPRGKRZSA-N -1 1 372.433 0.898 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001588381260 1282498256 /nfs/dbraw/zinc/49/82/56/1282498256.db2.gz WJHFCZRYMNIQGQ-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001588381260 1282498260 /nfs/dbraw/zinc/49/82/60/1282498260.db2.gz WJHFCZRYMNIQGQ-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403248 1282500490 /nfs/dbraw/zinc/50/04/90/1282500490.db2.gz XYKSTOWPGINSBW-RYUDHWBXSA-N -1 1 360.422 0.367 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588417862 1282506186 /nfs/dbraw/zinc/50/61/86/1282506186.db2.gz IOZWRJQXPQBOAL-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588417862 1282506198 /nfs/dbraw/zinc/50/61/98/1282506198.db2.gz IOZWRJQXPQBOAL-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC1 ZINC001588462657 1282511269 /nfs/dbraw/zinc/51/12/69/1282511269.db2.gz UATFPAGWZBETDD-VIKVFOODSA-N -1 1 366.429 0.954 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CC1 ZINC001588462657 1282511276 /nfs/dbraw/zinc/51/12/76/1282511276.db2.gz UATFPAGWZBETDD-VIKVFOODSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468525 1282512746 /nfs/dbraw/zinc/51/27/46/1282512746.db2.gz LUSOTROOKXYBHG-RYUDHWBXSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588468682 1282513782 /nfs/dbraw/zinc/51/37/82/1282513782.db2.gz NGPGOBWFVDGKRS-UHFFFAOYSA-N -1 1 374.449 0.780 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588467835 1282514666 /nfs/dbraw/zinc/51/46/66/1282514666.db2.gz DWIQYLHPHOMCFC-VXGBXAGGSA-N -1 1 356.434 0.797 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588490889 1282520180 /nfs/dbraw/zinc/52/01/80/1282520180.db2.gz AUTNSOMTNHCJDR-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588490889 1282520190 /nfs/dbraw/zinc/52/01/90/1282520190.db2.gz AUTNSOMTNHCJDR-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CC(C)(C)CCNC(=O)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001588488194 1282521140 /nfs/dbraw/zinc/52/11/40/1282521140.db2.gz XZKAESBHJJQMLL-UHFFFAOYSA-N -1 1 374.405 0.298 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588492783 1282522793 /nfs/dbraw/zinc/52/27/93/1282522793.db2.gz WORBCWOFCYCGPU-PSTGCABASA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588492857 1282524209 /nfs/dbraw/zinc/52/42/09/1282524209.db2.gz XGJXBUWACOUDGA-INIZCTEOSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588492857 1282524221 /nfs/dbraw/zinc/52/42/21/1282524221.db2.gz XGJXBUWACOUDGA-INIZCTEOSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588499485 1282529414 /nfs/dbraw/zinc/52/94/14/1282529414.db2.gz IVMMYTDRZSHAAS-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588499485 1282529419 /nfs/dbraw/zinc/52/94/19/1282529419.db2.gz IVMMYTDRZSHAAS-IAGOWNOFSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498917 1282530057 /nfs/dbraw/zinc/53/00/57/1282530057.db2.gz FFHIPHRGDCCBBZ-SJCJKPOMSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498917 1282530067 /nfs/dbraw/zinc/53/00/67/1282530067.db2.gz FFHIPHRGDCCBBZ-SJCJKPOMSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588502002 1282537888 /nfs/dbraw/zinc/53/78/88/1282537888.db2.gz PURRAZRWVICTQR-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588501211 1282537961 /nfs/dbraw/zinc/53/79/61/1282537961.db2.gz LEWGVQBBLFJBSB-PIGZYNQJSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588503573 1282541014 /nfs/dbraw/zinc/54/10/14/1282541014.db2.gz AICHUBICMUSUGA-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588503573 1282541024 /nfs/dbraw/zinc/54/10/24/1282541024.db2.gz AICHUBICMUSUGA-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588503721 1282543070 /nfs/dbraw/zinc/54/30/70/1282543070.db2.gz DSDJRGUIPURYHH-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588503721 1282543077 /nfs/dbraw/zinc/54/30/77/1282543077.db2.gz DSDJRGUIPURYHH-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588505588 1282544793 /nfs/dbraw/zinc/54/47/93/1282544793.db2.gz SEAKIIUOOGTTIO-QFSBIZTOSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588505588 1282544800 /nfs/dbraw/zinc/54/48/00/1282544800.db2.gz SEAKIIUOOGTTIO-QFSBIZTOSA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505462 1282545082 /nfs/dbraw/zinc/54/50/82/1282545082.db2.gz RKAOQESEQPKNNL-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505462 1282545089 /nfs/dbraw/zinc/54/50/89/1282545089.db2.gz RKAOQESEQPKNNL-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505605 1282546211 /nfs/dbraw/zinc/54/62/11/1282546211.db2.gz SPMFWRUSHIDPCX-PXAZEXFGSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505605 1282546216 /nfs/dbraw/zinc/54/62/16/1282546216.db2.gz SPMFWRUSHIDPCX-PXAZEXFGSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588505606 1282546340 /nfs/dbraw/zinc/54/63/40/1282546340.db2.gz SPMFWRUSHIDPCX-SJCJKPOMSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588505606 1282546348 /nfs/dbraw/zinc/54/63/48/1282546348.db2.gz SPMFWRUSHIDPCX-SJCJKPOMSA-N -1 1 372.433 0.235 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588505744 1282547526 /nfs/dbraw/zinc/54/75/26/1282547526.db2.gz WMLVPMPHNMAOEO-QGZVFWFLSA-N -1 1 374.449 0.625 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588505744 1282547534 /nfs/dbraw/zinc/54/75/34/1282547534.db2.gz WMLVPMPHNMAOEO-QGZVFWFLSA-N -1 1 374.449 0.625 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588533235 1282560510 /nfs/dbraw/zinc/56/05/10/1282560510.db2.gz RZIKMRNGRIVHQC-WCQYABFASA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588533235 1282560520 /nfs/dbraw/zinc/56/05/20/1282560520.db2.gz RZIKMRNGRIVHQC-WCQYABFASA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588538089 1282563584 /nfs/dbraw/zinc/56/35/84/1282563584.db2.gz IDLZQKICJSBDDS-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC1(C(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001588553346 1282567949 /nfs/dbraw/zinc/56/79/49/1282567949.db2.gz MHAFBOURQGKYQQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCC1(C(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001588553346 1282567962 /nfs/dbraw/zinc/56/79/62/1282567962.db2.gz MHAFBOURQGKYQQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588571011 1282570256 /nfs/dbraw/zinc/57/02/56/1282570256.db2.gz GDFPYRCOQQCBFY-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588571011 1282570265 /nfs/dbraw/zinc/57/02/65/1282570265.db2.gz GDFPYRCOQQCBFY-MRXNPFEDSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001588590476 1282579150 /nfs/dbraw/zinc/57/91/50/1282579150.db2.gz OKGCNWZJIBKTHS-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001588590476 1282579159 /nfs/dbraw/zinc/57/91/59/1282579159.db2.gz OKGCNWZJIBKTHS-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588608212 1282580785 /nfs/dbraw/zinc/58/07/85/1282580785.db2.gz HRDGADSPGWIDEO-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588608212 1282580791 /nfs/dbraw/zinc/58/07/91/1282580791.db2.gz HRDGADSPGWIDEO-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588608809 1282583194 /nfs/dbraw/zinc/58/31/94/1282583194.db2.gz QUDHTMUHXQCFHE-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588608809 1282583199 /nfs/dbraw/zinc/58/31/99/1282583199.db2.gz QUDHTMUHXQCFHE-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588608354 1282583825 /nfs/dbraw/zinc/58/38/25/1282583825.db2.gz KKLDNTAUTALCHX-GFCCVEGCSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588608712 1282584437 /nfs/dbraw/zinc/58/44/37/1282584437.db2.gz PJEIHXSCAZLMJL-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588608295 1282585152 /nfs/dbraw/zinc/58/51/52/1282585152.db2.gz JGGHPKJMJCXDFW-PNESKVBLSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588608295 1282585161 /nfs/dbraw/zinc/58/51/61/1282585161.db2.gz JGGHPKJMJCXDFW-PNESKVBLSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001588610452 1282586170 /nfs/dbraw/zinc/58/61/70/1282586170.db2.gz FLVDQPKHDYAWLI-BETUJISGSA-N -1 1 370.417 0.429 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001588610452 1282586176 /nfs/dbraw/zinc/58/61/76/1282586176.db2.gz FLVDQPKHDYAWLI-BETUJISGSA-N -1 1 370.417 0.429 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588610393 1282588357 /nfs/dbraw/zinc/58/83/57/1282588357.db2.gz DCHGMZAKHJANNR-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588610393 1282588367 /nfs/dbraw/zinc/58/83/67/1282588367.db2.gz DCHGMZAKHJANNR-AVGNSLFASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588610965 1282589269 /nfs/dbraw/zinc/58/92/69/1282589269.db2.gz OWLHCXNQSSGFML-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588610965 1282589281 /nfs/dbraw/zinc/58/92/81/1282589281.db2.gz OWLHCXNQSSGFML-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001588610998 1282590145 /nfs/dbraw/zinc/59/01/45/1282590145.db2.gz PFFTZROOFBQBIR-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588610998 1282590163 /nfs/dbraw/zinc/59/01/63/1282590163.db2.gz PFFTZROOFBQBIR-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588611738 1282591395 /nfs/dbraw/zinc/59/13/95/1282591395.db2.gz WIKZFXGJTFADBJ-AAEUAGOBSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588611738 1282591408 /nfs/dbraw/zinc/59/14/08/1282591408.db2.gz WIKZFXGJTFADBJ-AAEUAGOBSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001588615727 1282591948 /nfs/dbraw/zinc/59/19/48/1282591948.db2.gz FPZHKFULGVJSET-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCOCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001588615727 1282591957 /nfs/dbraw/zinc/59/19/57/1282591957.db2.gz FPZHKFULGVJSET-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588616057 1282594563 /nfs/dbraw/zinc/59/45/63/1282594563.db2.gz SOFLGDXFWXOODG-XYYAHUGASA-N -1 1 370.417 0.048 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616244 1282596542 /nfs/dbraw/zinc/59/65/42/1282596542.db2.gz BMBWDZSJUDQBQR-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616244 1282596553 /nfs/dbraw/zinc/59/65/53/1282596553.db2.gz BMBWDZSJUDQBQR-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588616329 1282596761 /nfs/dbraw/zinc/59/67/61/1282596761.db2.gz DEXQRPYIMDIAKR-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588616329 1282596772 /nfs/dbraw/zinc/59/67/72/1282596772.db2.gz DEXQRPYIMDIAKR-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588617062 1282598280 /nfs/dbraw/zinc/59/82/80/1282598280.db2.gz OXTBXMCZWQNNRD-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588617062 1282598290 /nfs/dbraw/zinc/59/82/90/1282598290.db2.gz OXTBXMCZWQNNRD-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588616658 1282598423 /nfs/dbraw/zinc/59/84/23/1282598423.db2.gz LDZURASPVUUUOI-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588616658 1282598434 /nfs/dbraw/zinc/59/84/34/1282598434.db2.gz LDZURASPVUUUOI-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001588616606 1282598677 /nfs/dbraw/zinc/59/86/77/1282598677.db2.gz KEBQVPJHLDKWRU-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588616606 1282598685 /nfs/dbraw/zinc/59/86/85/1282598685.db2.gz KEBQVPJHLDKWRU-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588666030 1282621488 /nfs/dbraw/zinc/62/14/88/1282621488.db2.gz XNCLJKCWGDNLMC-UHFFFAOYSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588666030 1282621493 /nfs/dbraw/zinc/62/14/93/1282621493.db2.gz XNCLJKCWGDNLMC-UHFFFAOYSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](CC)C1 ZINC001588666938 1282623142 /nfs/dbraw/zinc/62/31/42/1282623142.db2.gz OJCWGBHUFOCEDT-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](CC)C1 ZINC001588666938 1282623147 /nfs/dbraw/zinc/62/31/47/1282623147.db2.gz OJCWGBHUFOCEDT-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001588672150 1282626052 /nfs/dbraw/zinc/62/60/52/1282626052.db2.gz SLKCPZMQQNSCBA-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001588672150 1282626065 /nfs/dbraw/zinc/62/60/65/1282626065.db2.gz SLKCPZMQQNSCBA-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCCCC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588680696 1282637810 /nfs/dbraw/zinc/63/78/10/1282637810.db2.gz AKLJBXOLIZSKJA-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCCCNC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588681934 1282639638 /nfs/dbraw/zinc/63/96/38/1282639638.db2.gz IVCFTOOGDAAGQH-UHFFFAOYSA-N -1 1 372.433 0.686 20 30 FCEDMM C=CCOCCCNC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588681934 1282639648 /nfs/dbraw/zinc/63/96/48/1282639648.db2.gz IVCFTOOGDAAGQH-UHFFFAOYSA-N -1 1 372.433 0.686 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001588704822 1282651893 /nfs/dbraw/zinc/65/18/93/1282651893.db2.gz PMGXRGXLYDURGT-SNVBAGLBSA-N -1 1 369.389 0.571 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001588704822 1282651905 /nfs/dbraw/zinc/65/19/05/1282651905.db2.gz PMGXRGXLYDURGT-SNVBAGLBSA-N -1 1 369.389 0.571 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)[C@@H](C)C1CC1 ZINC001588709982 1282656347 /nfs/dbraw/zinc/65/63/47/1282656347.db2.gz ZKIXKMVSNGRGRY-JTQLQIEISA-N -1 1 355.410 0.519 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001588711314 1282657160 /nfs/dbraw/zinc/65/71/60/1282657160.db2.gz NWNOESSNFJMDCI-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001588711314 1282657173 /nfs/dbraw/zinc/65/71/73/1282657173.db2.gz NWNOESSNFJMDCI-SNVBAGLBSA-N -1 1 369.393 0.007 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@H](C(C)C)C1 ZINC001588709337 1282658061 /nfs/dbraw/zinc/65/80/61/1282658061.db2.gz QWFMOAJGEQVJQU-LBPRGKRZSA-N -1 1 369.437 0.766 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588718196 1282663710 /nfs/dbraw/zinc/66/37/10/1282663710.db2.gz AYNDPIHQTMZRBE-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588718196 1282663725 /nfs/dbraw/zinc/66/37/25/1282663725.db2.gz AYNDPIHQTMZRBE-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588721121 1282665168 /nfs/dbraw/zinc/66/51/68/1282665168.db2.gz CKGVGLFCJGSYQG-LOWVWBTDSA-N -1 1 356.390 0.261 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588721121 1282665180 /nfs/dbraw/zinc/66/51/80/1282665180.db2.gz CKGVGLFCJGSYQG-LOWVWBTDSA-N -1 1 356.390 0.261 20 30 FCEDMM C=CCn1nnnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001588717243 1282665280 /nfs/dbraw/zinc/66/52/80/1282665280.db2.gz VQKXJMFFQMLHGN-UHFFFAOYSA-N -1 1 369.393 0.231 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588721912 1282666333 /nfs/dbraw/zinc/66/63/33/1282666333.db2.gz QCYUGTDKXYHCFQ-BZPMIXESSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588721912 1282666343 /nfs/dbraw/zinc/66/63/43/1282666343.db2.gz QCYUGTDKXYHCFQ-BZPMIXESSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588721999 1282667398 /nfs/dbraw/zinc/66/73/98/1282667398.db2.gz RHDFMMZUNYPBKO-SCRDCRAPSA-N -1 1 370.417 0.508 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588721999 1282667404 /nfs/dbraw/zinc/66/74/04/1282667404.db2.gz RHDFMMZUNYPBKO-SCRDCRAPSA-N -1 1 370.417 0.508 20 30 FCEDMM C=C[C@H](CO)NC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001588728885 1282674934 /nfs/dbraw/zinc/67/49/34/1282674934.db2.gz XBSSMWRIVSFSNY-PNESKVBLSA-N -1 1 373.417 0.798 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588725639 1282675320 /nfs/dbraw/zinc/67/53/20/1282675320.db2.gz JBBSMYSAIRXNHX-BYNQJWBRSA-N -1 1 370.417 0.555 20 30 FCEDMM 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CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001590903626 1283954215 /nfs/dbraw/zinc/95/42/15/1283954215.db2.gz APWQWLHOILKUPA-CYBMUJFWSA-N -1 1 366.429 0.670 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001590903626 1283954220 /nfs/dbraw/zinc/95/42/20/1283954220.db2.gz APWQWLHOILKUPA-CYBMUJFWSA-N -1 1 366.429 0.670 20 30 FCEDMM CCc1nc(NC[C@@H](C)CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590915946 1283966443 /nfs/dbraw/zinc/96/64/43/1283966443.db2.gz BFXRNRIQFHEWBO-LLVKDONJSA-N -1 1 354.418 0.797 20 30 FCEDMM CCc1nc(NC[C@@H](C)CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590915946 1283966454 /nfs/dbraw/zinc/96/64/54/1283966454.db2.gz BFXRNRIQFHEWBO-LLVKDONJSA-N -1 1 354.418 0.797 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590971918 1284031095 /nfs/dbraw/zinc/03/10/95/1284031095.db2.gz JUVOSKNWGIJFHC-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590971918 1284031106 /nfs/dbraw/zinc/03/11/06/1284031106.db2.gz JUVOSKNWGIJFHC-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1nccnc1-c1nnn[n-]1 ZINC001591076442 1284145244 /nfs/dbraw/zinc/14/52/44/1284145244.db2.gz IXIOUYKXXKEJOU-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1nccnc1-c1nn[n-]n1 ZINC001591076442 1284145254 /nfs/dbraw/zinc/14/52/54/1284145254.db2.gz IXIOUYKXXKEJOU-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001591140502 1284210001 /nfs/dbraw/zinc/21/00/01/1284210001.db2.gz MRICKOKCNGENTM-UHFFFAOYSA-N -1 1 355.383 0.954 20 30 FCEDMM CS(=O)(=O)c1cccc(OCCn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001591681429 1284823577 /nfs/dbraw/zinc/82/35/77/1284823577.db2.gz KOBSNRJZVYUUND-UHFFFAOYSA-N -1 1 359.371 0.417 20 30 FCEDMM C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N(C)C(=O)OC(C)(C)C ZINC001591719684 1284854245 /nfs/dbraw/zinc/85/42/45/1284854245.db2.gz LFSLYOVNVNGQGA-ZETCQYMHSA-N -1 1 361.366 0.655 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)C#CC3CC3)CC2)n1 ZINC001591885876 1284975442 /nfs/dbraw/zinc/97/54/42/1284975442.db2.gz ZGAJAXGTDRFARA-UHFFFAOYSA-N -1 1 366.429 0.854 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)C#CC3CC3)CC2)n1 ZINC001591885876 1284975453 /nfs/dbraw/zinc/97/54/53/1284975453.db2.gz ZGAJAXGTDRFARA-UHFFFAOYSA-N -1 1 366.429 0.854 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)n1 ZINC001591886464 1284976280 /nfs/dbraw/zinc/97/62/80/1284976280.db2.gz XWQYVFCBGOSBMB-CYBMUJFWSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)C#CC3CC3)C2)n1 ZINC001591886464 1284976287 /nfs/dbraw/zinc/97/62/87/1284976287.db2.gz XWQYVFCBGOSBMB-CYBMUJFWSA-N -1 1 352.402 0.416 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001591894096 1284984422 /nfs/dbraw/zinc/98/44/22/1284984422.db2.gz YZGGTEHWWUGOEU-HZMBPMFUSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001591894096 1284984428 /nfs/dbraw/zinc/98/44/28/1284984428.db2.gz YZGGTEHWWUGOEU-HZMBPMFUSA-N -1 1 352.402 0.637 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604729210 1287758767 /nfs/dbraw/zinc/75/87/67/1287758767.db2.gz CKLFULYKAQCCKU-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604729210 1287758770 /nfs/dbraw/zinc/75/87/70/1287758770.db2.gz CKLFULYKAQCCKU-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCOc1cccc(F)c1 ZINC001592335618 1285244487 /nfs/dbraw/zinc/24/44/87/1285244487.db2.gz WLMDYBMWJJGVDX-UHFFFAOYSA-N -1 1 370.348 0.578 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(CC#N)C1 ZINC001592400060 1285309860 /nfs/dbraw/zinc/30/98/60/1285309860.db2.gz IACKFPUSGQXXPT-UHFFFAOYSA-N -1 1 365.401 0.831 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(CC#N)C1 ZINC001592400060 1285309875 /nfs/dbraw/zinc/30/98/75/1285309875.db2.gz IACKFPUSGQXXPT-UHFFFAOYSA-N -1 1 365.401 0.831 20 30 FCEDMM Cc1nn(CCC#N)c(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592436673 1285368700 /nfs/dbraw/zinc/36/87/00/1285368700.db2.gz YMMMYCYUKORGGN-UHFFFAOYSA-N -1 1 363.359 0.954 20 30 FCEDMM Cn1cc([C@H]2C[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cn1 ZINC001592568888 1285483486 /nfs/dbraw/zinc/48/34/86/1285483486.db2.gz CDOUWUFOCLKEHL-CMPLNLGQSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1cc([C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cn1 ZINC001592568848 1285484022 /nfs/dbraw/zinc/48/40/22/1285484022.db2.gz AXQFBNFGWLOLFD-PWSUYJOCSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1cc([C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cn1 ZINC001592568848 1285484033 /nfs/dbraw/zinc/48/40/33/1285484033.db2.gz AXQFBNFGWLOLFD-PWSUYJOCSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CCNCc1cn(-c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)nn1 ZINC001592678902 1285574019 /nfs/dbraw/zinc/57/40/19/1285574019.db2.gz WWNXXVBTQWRVKH-UHFFFAOYSA-N -1 1 350.268 0.474 20 30 FCEDMM N#CCNCc1cn(-c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)nn1 ZINC001592678902 1285574024 /nfs/dbraw/zinc/57/40/24/1285574024.db2.gz WWNXXVBTQWRVKH-UHFFFAOYSA-N -1 1 350.268 0.474 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001592679288 1285577321 /nfs/dbraw/zinc/57/73/21/1285577321.db2.gz LUSLLOKIQRJENN-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001592679288 1285577323 /nfs/dbraw/zinc/57/73/23/1285577323.db2.gz LUSLLOKIQRJENN-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592681890 1285580607 /nfs/dbraw/zinc/58/06/07/1285580607.db2.gz KSDGRQJSQLDARU-XYPYZODXSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592681890 1285580613 /nfs/dbraw/zinc/58/06/13/1285580613.db2.gz KSDGRQJSQLDARU-XYPYZODXSA-N -1 1 373.446 0.753 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N1CCC(c2ccccc2)=N1 ZINC001592681807 1285580843 /nfs/dbraw/zinc/58/08/43/1285580843.db2.gz KBTUWTDMQAFOGU-UHFFFAOYSA-N -1 1 362.357 0.154 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1nn[nH]n1 ZINC001592682221 1285581603 /nfs/dbraw/zinc/58/16/03/1285581603.db2.gz SPVDGEYZUCWWBV-UHFFFAOYSA-N -1 1 363.341 0.841 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ncc(Br)s2)nc1-c1nn[nH]n1 ZINC001592682378 1285581714 /nfs/dbraw/zinc/58/17/14/1285581714.db2.gz YAEPIEAHXKJLBO-UHFFFAOYSA-N -1 1 366.164 0.933 20 30 FCEDMM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 ZINC001592688357 1285586884 /nfs/dbraw/zinc/58/68/84/1285586884.db2.gz SSUUQGYNVRYAMZ-UHFFFAOYSA-N -1 1 362.762 0.983 20 30 FCEDMM N#Cc1cccnc1N1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001592702877 1285590318 /nfs/dbraw/zinc/59/03/18/1285590318.db2.gz HPJZJJSYWBPUGE-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1cccnc1N1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001592702877 1285590324 /nfs/dbraw/zinc/59/03/24/1285590324.db2.gz HPJZJJSYWBPUGE-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1nc(NCCCNC(=O)c2cccc(O)c2)cnc1-c1nnn[n-]1 ZINC001592707915 1285593856 /nfs/dbraw/zinc/59/38/56/1285593856.db2.gz JXPCAUXFFCNZGW-UHFFFAOYSA-N -1 1 365.357 0.466 20 30 FCEDMM N#Cc1nc(NCCCNC(=O)c2cccc(O)c2)cnc1-c1nn[n-]n1 ZINC001592707915 1285593860 /nfs/dbraw/zinc/59/38/60/1285593860.db2.gz JXPCAUXFFCNZGW-UHFFFAOYSA-N -1 1 365.357 0.466 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001592767299 1285691436 /nfs/dbraw/zinc/69/14/36/1285691436.db2.gz AKYNOXOFOIVKNB-ZDUSSCGKSA-N -1 1 372.454 0.659 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001592768666 1285693606 /nfs/dbraw/zinc/69/36/06/1285693606.db2.gz OIFMPDMHYKCSFN-UONOGXRCSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001592768666 1285693608 /nfs/dbraw/zinc/69/36/08/1285693608.db2.gz OIFMPDMHYKCSFN-UONOGXRCSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592768122 1285693646 /nfs/dbraw/zinc/69/36/46/1285693646.db2.gz DDAVUIBAUDBUJD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592768122 1285693648 /nfs/dbraw/zinc/69/36/48/1285693648.db2.gz DDAVUIBAUDBUJD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768923 1285694702 /nfs/dbraw/zinc/69/47/02/1285694702.db2.gz REAHUMFZCTUQEQ-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768923 1285694709 /nfs/dbraw/zinc/69/47/09/1285694709.db2.gz REAHUMFZCTUQEQ-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001592769152 1285695048 /nfs/dbraw/zinc/69/50/48/1285695048.db2.gz SABQAMBMSWGFGI-UHFFFAOYSA-N -1 1 368.401 0.147 20 30 FCEDMM O=C(C#CC1CC1)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001592769152 1285695053 /nfs/dbraw/zinc/69/50/53/1285695053.db2.gz SABQAMBMSWGFGI-UHFFFAOYSA-N -1 1 368.401 0.147 20 30 FCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc(-c2nn[nH]n2)cs1 ZINC001592962595 1285845293 /nfs/dbraw/zinc/84/52/93/1285845293.db2.gz FIDQZPQYSDCYNG-UHFFFAOYSA-N -1 1 360.380 0.807 20 30 FCEDMM CN1C(=O)CCc2cc(C(=O)Cn3cnc(-c4nn[n-]n4)c3C#N)ccc21 ZINC001609282066 1289042860 /nfs/dbraw/zinc/04/28/60/1289042860.db2.gz BVIMXVKDJGOGKF-UHFFFAOYSA-N -1 1 362.353 0.727 20 30 FCEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600783764 1286545007 /nfs/dbraw/zinc/54/50/07/1286545007.db2.gz ZDSQTTRSVPFYTC-HNNXBMFYSA-N -1 1 358.402 0.881 20 30 FCEDMM N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](C(=O)[O-])C2CC2)CC1 ZINC001601048030 1286622133 /nfs/dbraw/zinc/62/21/33/1286622133.db2.gz AIQXSTHDXCXJKR-CJNGLKHVSA-N -1 1 362.455 0.910 20 30 FCEDMM N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC001601089032 1286630513 /nfs/dbraw/zinc/63/05/13/1286630513.db2.gz DZMHOTRHCOACBJ-VHSXEESVSA-N -1 1 360.338 0.852 20 30 FCEDMM C#CCC(CC#C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001602696853 1287058922 /nfs/dbraw/zinc/05/89/22/1287058922.db2.gz GGWOJSZZBLXLGF-CYBMUJFWSA-N -1 1 364.413 0.357 20 30 FCEDMM C#CCC(CC#C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001602696853 1287058935 /nfs/dbraw/zinc/05/89/35/1287058935.db2.gz GGWOJSZZBLXLGF-CYBMUJFWSA-N -1 1 364.413 0.357 20 30 FCEDMM C#C[C@@H]1COCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001602696365 1287059415 /nfs/dbraw/zinc/05/94/15/1287059415.db2.gz HZMWGZOMIUVTCD-GFCCVEGCSA-N -1 1 356.386 0.377 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602701939 1287062678 /nfs/dbraw/zinc/06/26/78/1287062678.db2.gz APZPELQFLWVPHJ-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602701939 1287062689 /nfs/dbraw/zinc/06/26/89/1287062689.db2.gz APZPELQFLWVPHJ-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCC1(O)CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001602698902 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CNC(=O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001208277329 853911857 /nfs/dbraw/zinc/91/18/57/853911857.db2.gz PFAHMPQCQFAEPK-UHFFFAOYSA-N -1 1 350.169 0.484 20 30 FCEDMM N#Cc1ccccc1C[C@H](N)C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001220127271 855972955 /nfs/dbraw/zinc/97/29/55/855972955.db2.gz OEGZVIVBUZALAP-NSHDSACASA-N -1 1 356.429 0.100 20 30 FCEDMM C=CCOCC(COCC=C)Oc1[n-]c(=O)nc2c(=O)[nH]c(=O)[nH]c12 ZINC001226888668 857130070 /nfs/dbraw/zinc/13/00/70/857130070.db2.gz TZLMYHUUQXEJEE-UHFFFAOYSA-N -1 1 350.331 0.689 20 30 FCEDMM CCOC(=O)N1CC[C@@H](N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C1 ZINC001256027015 858049069 /nfs/dbraw/zinc/04/90/69/858049069.db2.gz KRMOXZCDVBMBIW-MNOVXSKESA-N -1 1 371.396 0.233 20 30 FCEDMM COC(=O)C1CCC([N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1 ZINC001257860719 858161391 /nfs/dbraw/zinc/16/13/91/858161391.db2.gz OFIFSWCNLKSRHU-MCIGGMRASA-N -1 1 370.408 0.734 20 30 FCEDMM COC(=O)C1CCC([N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-])CC1 ZINC001257860719 858161400 /nfs/dbraw/zinc/16/14/00/858161400.db2.gz OFIFSWCNLKSRHU-MCIGGMRASA-N -1 1 370.408 0.734 20 30 FCEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(=O)[nH]c2c(C#N)cnn21 ZINC001258351982 858191178 /nfs/dbraw/zinc/19/11/78/858191178.db2.gz GCOZPQDNMYRAOC-UHFFFAOYSA-N -1 1 367.778 0.803 20 30 FCEDMM C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC001309803953 866901897 /nfs/dbraw/zinc/90/18/97/866901897.db2.gz VOCQTPVFMKQGAT-LLVKDONJSA-N -1 1 366.436 0.803 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573283139 946709878 /nfs/dbraw/zinc/70/98/78/946709878.db2.gz PLUHHQNTGUOLMN-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573283139 946709883 /nfs/dbraw/zinc/70/98/83/946709883.db2.gz PLUHHQNTGUOLMN-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001573284420 946744926 /nfs/dbraw/zinc/74/49/26/946744926.db2.gz BMDXNTHFFLBINZ-UHFFFAOYSA-N -1 1 371.401 0.219 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573285054 946764233 /nfs/dbraw/zinc/76/42/33/946764233.db2.gz CJTSTZPEQFRTCU-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573285054 946764244 /nfs/dbraw/zinc/76/42/44/946764244.db2.gz CJTSTZPEQFRTCU-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573285828 946788962 /nfs/dbraw/zinc/78/89/62/946788962.db2.gz OLIZJWSFXXTPBX-QWHCGFSZSA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573285828 946788973 /nfs/dbraw/zinc/78/89/73/946788973.db2.gz OLIZJWSFXXTPBX-QWHCGFSZSA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573285829 946789880 /nfs/dbraw/zinc/78/98/80/946789880.db2.gz OLIZJWSFXXTPBX-STQMWFEESA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573285829 946789884 /nfs/dbraw/zinc/78/98/84/946789884.db2.gz OLIZJWSFXXTPBX-STQMWFEESA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573286134 946797530 /nfs/dbraw/zinc/79/75/30/946797530.db2.gz UPGUTAVBJAHUIV-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573286134 946797535 /nfs/dbraw/zinc/79/75/35/946797535.db2.gz UPGUTAVBJAHUIV-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573287158 946828749 /nfs/dbraw/zinc/82/87/49/946828749.db2.gz LZSNBJBVBYWKQA-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573287158 946828761 /nfs/dbraw/zinc/82/87/61/946828761.db2.gz LZSNBJBVBYWKQA-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573287936 946853412 /nfs/dbraw/zinc/85/34/12/946853412.db2.gz QKFZOYIWBVVXGE-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573287936 946853423 /nfs/dbraw/zinc/85/34/23/946853423.db2.gz QKFZOYIWBVVXGE-QWHCGFSZSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573288198 946860124 /nfs/dbraw/zinc/86/01/24/946860124.db2.gz SMBSIQSWBOKKHU-LBPRGKRZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573288198 946860132 /nfs/dbraw/zinc/86/01/32/946860132.db2.gz SMBSIQSWBOKKHU-LBPRGKRZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573288194 946862304 /nfs/dbraw/zinc/86/23/04/946862304.db2.gz SMBSIQSWBOKKHU-GFCCVEGCSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573288194 946862320 /nfs/dbraw/zinc/86/23/20/946862320.db2.gz SMBSIQSWBOKKHU-GFCCVEGCSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573290038 946897627 /nfs/dbraw/zinc/89/76/27/946897627.db2.gz TWIUVUOWLJGTDY-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573290038 946897645 /nfs/dbraw/zinc/89/76/45/946897645.db2.gz TWIUVUOWLJGTDY-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573290499 946906088 /nfs/dbraw/zinc/90/60/88/946906088.db2.gz KTPHMWTWFWVJQB-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573290499 946906097 /nfs/dbraw/zinc/90/60/97/946906097.db2.gz KTPHMWTWFWVJQB-LBPRGKRZSA-N -1 1 362.397 0.797 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573565979 947018136 /nfs/dbraw/zinc/01/81/36/947018136.db2.gz YCVFCVCRCFJXPC-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573565979 947018145 /nfs/dbraw/zinc/01/81/45/947018145.db2.gz YCVFCVCRCFJXPC-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573566852 947032277 /nfs/dbraw/zinc/03/22/77/947032277.db2.gz HAZMVUJWOSNLJY-WXHSDQCUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573566852 947032285 /nfs/dbraw/zinc/03/22/85/947032285.db2.gz HAZMVUJWOSNLJY-WXHSDQCUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573567423 947043269 /nfs/dbraw/zinc/04/32/69/947043269.db2.gz MXHGZFQRHWZLJA-SJKOYZFVSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573567423 947043281 /nfs/dbraw/zinc/04/32/81/947043281.db2.gz MXHGZFQRHWZLJA-SJKOYZFVSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567511 947047491 /nfs/dbraw/zinc/04/74/91/947047491.db2.gz NTZLMAYGSYDYKN-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567511 947047504 /nfs/dbraw/zinc/04/75/04/947047504.db2.gz NTZLMAYGSYDYKN-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573567571 947047841 /nfs/dbraw/zinc/04/78/41/947047841.db2.gz OTVYHFSRQPSMQR-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573567571 947047852 /nfs/dbraw/zinc/04/78/52/947047852.db2.gz OTVYHFSRQPSMQR-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573567957 947060680 /nfs/dbraw/zinc/06/06/80/947060680.db2.gz VLMXFFZENNHVTP-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573567957 947060692 /nfs/dbraw/zinc/06/06/92/947060692.db2.gz VLMXFFZENNHVTP-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573568048 947066624 /nfs/dbraw/zinc/06/66/24/947066624.db2.gz WVAIHNILIUKNPT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573569591 947074400 /nfs/dbraw/zinc/07/44/00/947074400.db2.gz BTMUDQUIWLQXOW-PRXAMGSTSA-N -1 1 367.417 0.279 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)CCOCCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573298623 947079353 /nfs/dbraw/zinc/07/93/53/947079353.db2.gz QMVISTVQNGXOHH-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)CCOCCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573298623 947079363 /nfs/dbraw/zinc/07/93/63/947079363.db2.gz QMVISTVQNGXOHH-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573570719 947090451 /nfs/dbraw/zinc/09/04/51/947090451.db2.gz SKFONYIHHHCRAT-GRYCIOLGSA-N -1 1 353.390 0.244 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573570719 947090458 /nfs/dbraw/zinc/09/04/58/947090458.db2.gz SKFONYIHHHCRAT-GRYCIOLGSA-N -1 1 353.390 0.244 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573570678 947092151 /nfs/dbraw/zinc/09/21/51/947092151.db2.gz RSZOEFLWDZUPDC-UTUOFQBUSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573570678 947092160 /nfs/dbraw/zinc/09/21/60/947092160.db2.gz RSZOEFLWDZUPDC-UTUOFQBUSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573572851 947118015 /nfs/dbraw/zinc/11/80/15/947118015.db2.gz KIIMGPIYVKLQSU-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573572851 947118020 /nfs/dbraw/zinc/11/80/20/947118020.db2.gz KIIMGPIYVKLQSU-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573301020 947128537 /nfs/dbraw/zinc/12/85/37/947128537.db2.gz RLUPUJNPOJDUPU-LLVKDONJSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573301020 947128546 /nfs/dbraw/zinc/12/85/46/947128546.db2.gz RLUPUJNPOJDUPU-LLVKDONJSA-N -1 1 358.406 0.508 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573576279 947149961 /nfs/dbraw/zinc/14/99/61/947149961.db2.gz GHZVZXQYQKDKGT-RQJHMYQMSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573576279 947149963 /nfs/dbraw/zinc/14/99/63/947149963.db2.gz GHZVZXQYQKDKGT-RQJHMYQMSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573576574 947154586 /nfs/dbraw/zinc/15/45/86/947154586.db2.gz HQFAYAKLXPKJKK-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573576574 947154592 /nfs/dbraw/zinc/15/45/92/947154592.db2.gz HQFAYAKLXPKJKK-NEPJUHHUSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573576840 947157540 /nfs/dbraw/zinc/15/75/40/947157540.db2.gz KGXMEHDFYWETRY-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573576840 947157543 /nfs/dbraw/zinc/15/75/43/947157543.db2.gz KGXMEHDFYWETRY-NEPJUHHUSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573577256 947163307 /nfs/dbraw/zinc/16/33/07/947163307.db2.gz OGPKQLNEOZHYRR-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573577256 947163311 /nfs/dbraw/zinc/16/33/11/947163311.db2.gz OGPKQLNEOZHYRR-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001573577814 947174029 /nfs/dbraw/zinc/17/40/29/947174029.db2.gz SXCFNAHKEVAPKK-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001573577814 947174034 /nfs/dbraw/zinc/17/40/34/947174034.db2.gz SXCFNAHKEVAPKK-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573577961 947179004 /nfs/dbraw/zinc/17/90/04/947179004.db2.gz WIBBCZMHJGAQLF-VXGBXAGGSA-N -1 1 355.406 0.682 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC/C=C/CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309275 947196393 /nfs/dbraw/zinc/19/63/93/947196393.db2.gz GGSJFUGNQZKRND-LXXRFIIISA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC/C=C/CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309275 947196400 /nfs/dbraw/zinc/19/64/00/947196400.db2.gz GGSJFUGNQZKRND-LXXRFIIISA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001573309414 947198964 /nfs/dbraw/zinc/19/89/64/947198964.db2.gz IPRAXQGPBFPARN-BZNIZROVSA-N -1 1 360.422 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001573309414 947198972 /nfs/dbraw/zinc/19/89/72/947198972.db2.gz IPRAXQGPBFPARN-BZNIZROVSA-N -1 1 360.422 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573309466 947200569 /nfs/dbraw/zinc/20/05/69/947200569.db2.gz JFXCWZZZTJIUJM-DYVFJYSZSA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573309466 947200584 /nfs/dbraw/zinc/20/05/84/947200584.db2.gz JFXCWZZZTJIUJM-DYVFJYSZSA-N -1 1 372.433 0.599 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573583191 947201262 /nfs/dbraw/zinc/20/12/62/947201262.db2.gz KRNOEJIXOVWQBM-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573583191 947201269 /nfs/dbraw/zinc/20/12/69/947201269.db2.gz KRNOEJIXOVWQBM-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001573310201 947218536 /nfs/dbraw/zinc/21/85/36/947218536.db2.gz UWPVLPWFWLBAKV-BZNIZROVSA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001573310201 947218544 /nfs/dbraw/zinc/21/85/44/947218544.db2.gz UWPVLPWFWLBAKV-BZNIZROVSA-N -1 1 360.422 0.537 20 30 FCEDMM CCO[C@H](CNc1ccc(C#N)nn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825576651 947237033 /nfs/dbraw/zinc/23/70/33/947237033.db2.gz MSKNROMQIPDDOH-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@H](CNc1ccc(C#N)nn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825576651 947237044 /nfs/dbraw/zinc/23/70/44/947237044.db2.gz MSKNROMQIPDDOH-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573585685 947264271 /nfs/dbraw/zinc/26/42/71/947264271.db2.gz UWHVIALQHISYNB-QWRGUYRKSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573585685 947264281 /nfs/dbraw/zinc/26/42/81/947264281.db2.gz UWHVIALQHISYNB-QWRGUYRKSA-N -1 1 355.406 0.537 20 30 FCEDMM C=CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573334399 947454595 /nfs/dbraw/zinc/45/45/95/947454595.db2.gz MZSLDYYRCIRJTJ-NWDGAFQWSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573335439 947476822 /nfs/dbraw/zinc/47/68/22/947476822.db2.gz ZKZWATUILRAEDH-GFCCVEGCSA-N -1 1 360.422 0.553 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573335439 947476831 /nfs/dbraw/zinc/47/68/31/947476831.db2.gz ZKZWATUILRAEDH-GFCCVEGCSA-N -1 1 360.422 0.553 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573335835 947490443 /nfs/dbraw/zinc/49/04/43/947490443.db2.gz FDFSOFWRHIAQPA-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573335835 947490450 /nfs/dbraw/zinc/49/04/50/947490450.db2.gz FDFSOFWRHIAQPA-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573336011 947494531 /nfs/dbraw/zinc/49/45/31/947494531.db2.gz YUTAAQRAAQHQFJ-RYUDHWBXSA-N -1 1 360.422 0.319 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573336756 947510835 /nfs/dbraw/zinc/51/08/35/947510835.db2.gz QUDHTMUHXQCFHE-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573336756 947510846 /nfs/dbraw/zinc/51/08/46/947510846.db2.gz QUDHTMUHXQCFHE-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573337603 947518635 /nfs/dbraw/zinc/51/86/35/947518635.db2.gz ZBLWMBIFGSQRQP-KRWDZBQOSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573337603 947518642 /nfs/dbraw/zinc/51/86/42/947518642.db2.gz ZBLWMBIFGSQRQP-KRWDZBQOSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573343286 947554627 /nfs/dbraw/zinc/55/46/27/947554627.db2.gz MJAKALUAPGEASI-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573343286 947554638 /nfs/dbraw/zinc/55/46/38/947554638.db2.gz MJAKALUAPGEASI-GFCCVEGCSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573348286 947580675 /nfs/dbraw/zinc/58/06/75/947580675.db2.gz OLXZZHCOWKANEQ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573348286 947580685 /nfs/dbraw/zinc/58/06/85/947580685.db2.gz OLXZZHCOWKANEQ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM COc1ccccc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000826219371 947650357 /nfs/dbraw/zinc/65/03/57/947650357.db2.gz ZRABUUOODODPPJ-SNVBAGLBSA-N -1 1 352.358 0.821 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573358908 947672215 /nfs/dbraw/zinc/67/22/15/947672215.db2.gz MAQCBLBIQJRQMZ-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573358908 947672222 /nfs/dbraw/zinc/67/22/22/947672222.db2.gz MAQCBLBIQJRQMZ-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc2c(c1)OCO2 ZINC001573755316 948760109 /nfs/dbraw/zinc/76/01/09/948760109.db2.gz OQDFFLMVGSQZJO-ZETCQYMHSA-N -1 1 352.314 0.932 20 30 FCEDMM C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc2c(c1)OCO2 ZINC001573755315 948760141 /nfs/dbraw/zinc/76/01/41/948760141.db2.gz OQDFFLMVGSQZJO-SSDOTTSWSA-N -1 1 352.314 0.932 20 30 FCEDMM C[C@H](c1nccs1)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001575521967 949269752 /nfs/dbraw/zinc/26/97/52/949269752.db2.gz JJGUVSYRKLQNPX-SNVBAGLBSA-N -1 1 368.430 0.868 20 30 FCEDMM C[C@H](c1nccs1)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001575521967 949269774 /nfs/dbraw/zinc/26/97/74/949269774.db2.gz JJGUVSYRKLQNPX-SNVBAGLBSA-N -1 1 368.430 0.868 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573793180 949288782 /nfs/dbraw/zinc/28/87/82/949288782.db2.gz NNBOFMCJKCUHRB-GFCCVEGCSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573793180 949288802 /nfs/dbraw/zinc/28/88/02/949288802.db2.gz NNBOFMCJKCUHRB-GFCCVEGCSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573793787 949307467 /nfs/dbraw/zinc/30/74/67/949307467.db2.gz ZLUXNDRRVACYPY-LBPRGKRZSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573793787 949307488 /nfs/dbraw/zinc/30/74/88/949307488.db2.gz ZLUXNDRRVACYPY-LBPRGKRZSA-N -1 1 354.418 0.967 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001570951667 949757000 /nfs/dbraw/zinc/75/70/00/949757000.db2.gz ZUEXTNPYQJZLFV-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001570951667 949757016 /nfs/dbraw/zinc/75/70/16/949757016.db2.gz ZUEXTNPYQJZLFV-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001570959917 949969232 /nfs/dbraw/zinc/96/92/32/949969232.db2.gz ULANAWRAWRFDQM-WXHSDQCUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001570959917 949969246 /nfs/dbraw/zinc/96/92/46/949969246.db2.gz ULANAWRAWRFDQM-WXHSDQCUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574737971 950160764 /nfs/dbraw/zinc/16/07/64/950160764.db2.gz ADJWFHYNNMGCLO-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574737971 950160783 /nfs/dbraw/zinc/16/07/83/950160783.db2.gz ADJWFHYNNMGCLO-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752344 950482821 /nfs/dbraw/zinc/48/28/21/950482821.db2.gz BCXGTLATYJEICW-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752344 950482831 /nfs/dbraw/zinc/48/28/31/950482831.db2.gz BCXGTLATYJEICW-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM CC1(C)[C@H](N2CCOCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575623970 950663235 /nfs/dbraw/zinc/66/32/35/950663235.db2.gz MPCXZWKMZZVDOP-NWDGAFQWSA-N -1 1 355.406 0.440 20 30 FCEDMM N#Cc1nc(N2C[C@H]3COC[C@@]3(c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001570998356 951078089 /nfs/dbraw/zinc/07/80/89/951078089.db2.gz KROPTIAVMVHSHY-SCLBCKFNSA-N -1 1 360.381 0.933 20 30 FCEDMM N#Cc1nc(N2C[C@H]3COC[C@@]3(c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001570998356 951078101 /nfs/dbraw/zinc/07/81/01/951078101.db2.gz KROPTIAVMVHSHY-SCLBCKFNSA-N -1 1 360.381 0.933 20 30 FCEDMM N#Cc1ncc(N2CCc3c(CC(N)=O)cccc3C2)nc1-c1nn[n-]n1 ZINC001571000175 951106585 /nfs/dbraw/zinc/10/65/85/951106585.db2.gz HVIMYQZLWCNVDJ-UHFFFAOYSA-N -1 1 361.369 0.119 20 30 FCEDMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008762 951202426 /nfs/dbraw/zinc/20/24/26/951202426.db2.gz FUDMHNZNZAAOAK-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008762 951202431 /nfs/dbraw/zinc/20/24/31/951202431.db2.gz FUDMHNZNZAAOAK-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001571009883 951211872 /nfs/dbraw/zinc/21/18/72/951211872.db2.gz NMDNRSCKPNSPEB-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001571009883 951211879 /nfs/dbraw/zinc/21/18/79/951211879.db2.gz NMDNRSCKPNSPEB-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001571009881 951212618 /nfs/dbraw/zinc/21/26/18/951212618.db2.gz NMDNRSCKPNSPEB-BXKDBHETSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001571009881 951212627 /nfs/dbraw/zinc/21/26/27/951212627.db2.gz NMDNRSCKPNSPEB-BXKDBHETSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575134720 952112934 /nfs/dbraw/zinc/11/29/34/952112934.db2.gz 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ZINC000941468906 1246635683 /nfs/dbraw/zinc/63/56/83/1246635683.db2.gz RNTOZVXXCBEKOO-TZMCWYRMSA-N -1 1 355.354 0.256 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1OC ZINC000946818816 1248033654 /nfs/dbraw/zinc/03/36/54/1248033654.db2.gz OUHKERBHGTZPQC-RJZRQDKASA-N -1 1 361.398 0.334 20 30 FCEDMM COC(=O)CN(CC#N)C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC001329324589 1265735133 /nfs/dbraw/zinc/73/51/33/1265735133.db2.gz DITAZAIMZUOYAR-UHFFFAOYSA-N -1 1 359.338 0.684 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080851432 1256054105 /nfs/dbraw/zinc/05/41/05/1256054105.db2.gz IVTWKZAXMPRXPQ-CZUORRHYSA-N -1 1 353.426 0.269 20 30 FCEDMM CN(C)C(=O)COCc1nnc2n1CCN(Cc1ccc(C#N)cc1[O-])C2 ZINC001233385535 1259551211 /nfs/dbraw/zinc/55/12/11/1259551211.db2.gz LNIWQZPZPDTXRK-UHFFFAOYSA-N -1 1 370.413 0.476 20 30 FCEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CC(O)(CC#N)C1 ZINC001256345538 1259949114 /nfs/dbraw/zinc/94/91/14/1259949114.db2.gz AVJQYPGZJXTUBP-UHFFFAOYSA-N -1 1 353.382 0.972 20 30 FCEDMM N#CC1(NC(=O)[C@H]2CCC[C@@]23CCN(C(=O)Cc2nn[n-]n2)C3)CCC1 ZINC001272978054 1260547310 /nfs/dbraw/zinc/54/73/10/1260547310.db2.gz FJPWPPFQFXSVAX-WBMJQRKESA-N -1 1 357.418 0.323 20 30 FCEDMM N#CCC1CN(C(=O)C23CC(NC(=O)c4n[n-]nc4C(F)(F)F)(C2)C3)C1 ZINC001278858344 1260744323 /nfs/dbraw/zinc/74/43/23/1260744323.db2.gz ONWWCLUDRZKXGF-UHFFFAOYSA-N -1 1 368.319 0.848 20 30 FCEDMM N#Cc1c[n-]n2c1nc(CN1CC[C@@H](C(=O)NCC(F)(F)F)C1)cc2=O ZINC001307704146 1263199158 /nfs/dbraw/zinc/19/91/58/1263199158.db2.gz ALBTWWGVHLJANZ-SECBINFHSA-N -1 1 368.319 0.807 20 30 FCEDMM N#Cc1c[n-]n2c1nc(CN1CC[C@H](C(=O)NCC(F)(F)F)C1)cc2=O ZINC001307704147 1263199249 /nfs/dbraw/zinc/19/92/49/1263199249.db2.gz ALBTWWGVHLJANZ-VIFPVBQESA-N -1 1 368.319 0.807 20 30 FCEDMM COC[C@@](C)(C#N)NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001319297864 1263674870 /nfs/dbraw/zinc/67/48/70/1263674870.db2.gz CXSUHHMIZVVZJE-QGZVFWFLSA-N -1 1 363.418 0.305 20 30 FCEDMM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1nn[n-]n1 ZINC001320399054 1263792039 /nfs/dbraw/zinc/79/20/39/1263792039.db2.gz MLSGKFOZZUWISI-WCQYABFASA-N -1 1 353.386 0.686 20 30 FCEDMM CN1C(=O)c2ccc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)cc2C1=O ZINC001338290918 1267900737 /nfs/dbraw/zinc/90/07/37/1267900737.db2.gz VNCMMPWRCCOHQG-UHFFFAOYSA-N -1 1 369.358 0.791 20 30 FCEDMM C=CCn1c(=O)c2ccc(C(=O)N3CCNC[C@@H]3CO)cc2[n-]c1=S ZINC001340846236 1268679536 /nfs/dbraw/zinc/67/95/36/1268679536.db2.gz KIJZSKBAXHWXMA-GFCCVEGCSA-N -1 1 360.439 0.278 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580629592 1278579841 /nfs/dbraw/zinc/57/98/41/1278579841.db2.gz CZCFOAFTAKFICM-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580629592 1278579847 /nfs/dbraw/zinc/57/98/47/1278579847.db2.gz CZCFOAFTAKFICM-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573941989 1270948678 /nfs/dbraw/zinc/94/86/78/1270948678.db2.gz KKMBQYNQHCZREO-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573941989 1270948685 /nfs/dbraw/zinc/94/86/85/1270948685.db2.gz KKMBQYNQHCZREO-STQMWFEESA-N -1 1 354.418 0.790 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540235 1271316585 /nfs/dbraw/zinc/31/65/85/1271316585.db2.gz FXCGXEPRWHRDAC-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540235 1271316589 /nfs/dbraw/zinc/31/65/89/1271316589.db2.gz FXCGXEPRWHRDAC-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540237 1271318276 /nfs/dbraw/zinc/31/82/76/1271318276.db2.gz FXCGXEPRWHRDAC-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540237 1271318281 /nfs/dbraw/zinc/31/82/81/1271318281.db2.gz FXCGXEPRWHRDAC-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(C#N)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574545404 1271332318 /nfs/dbraw/zinc/33/23/18/1271332318.db2.gz MMMQYSSDRCDYSR-ZJUUUORDSA-N -1 1 366.389 0.287 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574627672 1271425388 /nfs/dbraw/zinc/42/53/88/1271425388.db2.gz QGLVXACOPXJWJW-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574627672 1271425403 /nfs/dbraw/zinc/42/54/03/1271425403.db2.gz QGLVXACOPXJWJW-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574665245 1271467593 /nfs/dbraw/zinc/46/75/93/1271467593.db2.gz QMNYYRYDKULIHF-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574665245 1271467597 /nfs/dbraw/zinc/46/75/97/1271467597.db2.gz QMNYYRYDKULIHF-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574804024 1271542618 /nfs/dbraw/zinc/54/26/18/1271542618.db2.gz QLDJTTSVPAZDKK-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575314016 1271912259 /nfs/dbraw/zinc/91/22/59/1271912259.db2.gz KLPRSWPDWXNHCS-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575314016 1271912266 /nfs/dbraw/zinc/91/22/66/1271912266.db2.gz KLPRSWPDWXNHCS-RKDXNWHRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@@H]3NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580662588 1278667394 /nfs/dbraw/zinc/66/73/94/1278667394.db2.gz AVMAOWVZFDOSSI-MFKMUULPSA-N -1 1 367.417 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@@H]3NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580662588 1278667402 /nfs/dbraw/zinc/66/74/02/1278667402.db2.gz AVMAOWVZFDOSSI-MFKMUULPSA-N -1 1 367.417 0.600 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001575692381 1272305515 /nfs/dbraw/zinc/30/55/15/1272305515.db2.gz DTKOJWISYIAXHF-GFCCVEGCSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001575692381 1272305526 /nfs/dbraw/zinc/30/55/26/1272305526.db2.gz DTKOJWISYIAXHF-GFCCVEGCSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN=C(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)S1 ZINC001575737224 1272406735 /nfs/dbraw/zinc/40/67/35/1272406735.db2.gz YWQKEYISEBJJFC-UHFFFAOYSA-N -1 1 370.446 0.532 20 30 FCEDMM CC1(C)CN=C(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)S1 ZINC001575737224 1272406738 /nfs/dbraw/zinc/40/67/38/1272406738.db2.gz YWQKEYISEBJJFC-UHFFFAOYSA-N -1 1 370.446 0.532 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001580679489 1278703374 /nfs/dbraw/zinc/70/33/74/1278703374.db2.gz YCJCXAWWRNBYHZ-HOSYDEDBSA-N -1 1 355.406 0.313 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001580679489 1278703382 /nfs/dbraw/zinc/70/33/82/1278703382.db2.gz YCJCXAWWRNBYHZ-HOSYDEDBSA-N -1 1 355.406 0.313 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580693340 1278732100 /nfs/dbraw/zinc/73/21/00/1278732100.db2.gz ZEGPIJQRKWBQNV-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580693340 1278732106 /nfs/dbraw/zinc/73/21/06/1278732106.db2.gz ZEGPIJQRKWBQNV-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580694985 1278737557 /nfs/dbraw/zinc/73/75/57/1278737557.db2.gz QMRKOMORTLQOGX-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580694985 1278737562 /nfs/dbraw/zinc/73/75/62/1278737562.db2.gz QMRKOMORTLQOGX-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001576283161 1273088960 /nfs/dbraw/zinc/08/89/60/1273088960.db2.gz VXJZQEZKUBUEKB-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@](C)(NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001580715345 1278781427 /nfs/dbraw/zinc/78/14/27/1278781427.db2.gz BFWVENLLLORRLD-FVMDXXJSSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@](C)(NC(=O)[C@@H](C)C#N)C2CC2)n1 ZINC001580715345 1278781431 /nfs/dbraw/zinc/78/14/31/1278781431.db2.gz BFWVENLLLORRLD-FVMDXXJSSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580720824 1278797568 /nfs/dbraw/zinc/79/75/68/1278797568.db2.gz ZSUGTVRISIOEPY-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580720824 1278797574 /nfs/dbraw/zinc/79/75/74/1278797574.db2.gz ZSUGTVRISIOEPY-SECBINFHSA-N -1 1 366.389 0.643 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001576872933 1273846901 /nfs/dbraw/zinc/84/69/01/1273846901.db2.gz IXIOJJZDJKEEML-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001576872933 1273846909 /nfs/dbraw/zinc/84/69/09/1273846909.db2.gz IXIOJJZDJKEEML-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576885068 1273873222 /nfs/dbraw/zinc/87/32/22/1273873222.db2.gz BMECFJILZHVRKB-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576885068 1273873229 /nfs/dbraw/zinc/87/32/29/1273873229.db2.gz BMECFJILZHVRKB-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580739042 1278837753 /nfs/dbraw/zinc/83/77/53/1278837753.db2.gz GBJCWIGHNFCVMV-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580739042 1278837756 /nfs/dbraw/zinc/83/77/56/1278837756.db2.gz GBJCWIGHNFCVMV-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM CCN(C(=O)c1[n-]c(=O)c(C#N)cc1C)[C@@H](C)CC(=O)N1CCNCC1 ZINC001577643553 1274634586 /nfs/dbraw/zinc/63/45/86/1274634586.db2.gz IRYSZCFVGJFHOD-ZDUSSCGKSA-N -1 1 359.430 0.640 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cnc(-c2nnn[n-]2)cn1 ZINC001578061975 1275357976 /nfs/dbraw/zinc/35/79/76/1275357976.db2.gz PSMLAQOLLHQFHH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cnc(-c2nn[n-]n2)cn1 ZINC001578061975 1275357981 /nfs/dbraw/zinc/35/79/81/1275357981.db2.gz PSMLAQOLLHQFHH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001578125276 1275426591 /nfs/dbraw/zinc/42/65/91/1275426591.db2.gz GGIYFCHZXHBOOC-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001578125276 1275426595 /nfs/dbraw/zinc/42/65/95/1275426595.db2.gz GGIYFCHZXHBOOC-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCO[C@@H]1C[C@@H](O)C12CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001578335505 1275685316 /nfs/dbraw/zinc/68/53/16/1275685316.db2.gz RNPSEJQQDWXUPJ-VXGBXAGGSA-N -1 1 356.390 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)n1 ZINC001578579249 1276012538 /nfs/dbraw/zinc/01/25/38/1276012538.db2.gz VYNKBACEEABOMQ-SDDRHHMPSA-N -1 1 367.417 0.558 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)n1 ZINC001578579249 1276012545 /nfs/dbraw/zinc/01/25/45/1276012545.db2.gz VYNKBACEEABOMQ-SDDRHHMPSA-N -1 1 367.417 0.558 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578921399 1276463234 /nfs/dbraw/zinc/46/32/34/1276463234.db2.gz PMQWAPFPEIVBSQ-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578921399 1276463237 /nfs/dbraw/zinc/46/32/37/1276463237.db2.gz PMQWAPFPEIVBSQ-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)C(=O)c1cccc(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001578962626 1276506110 /nfs/dbraw/zinc/50/61/10/1276506110.db2.gz VFSQIFSARVKBSY-UHFFFAOYSA-N -1 1 363.385 0.885 20 30 FCEDMM CN(C)C(=O)c1cccc(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001578962626 1276506117 /nfs/dbraw/zinc/50/61/17/1276506117.db2.gz VFSQIFSARVKBSY-UHFFFAOYSA-N -1 1 363.385 0.885 20 30 FCEDMM CN(C)c1n[nH]c(C2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)n1 ZINC001579002584 1276572601 /nfs/dbraw/zinc/57/26/01/1276572601.db2.gz SCNBGERISMTUKP-UHFFFAOYSA-N -1 1 366.393 0.096 20 30 FCEDMM CN(C)c1n[nH]c(C2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)n1 ZINC001579002584 1276572611 /nfs/dbraw/zinc/57/26/11/1276572611.db2.gz SCNBGERISMTUKP-UHFFFAOYSA-N -1 1 366.393 0.096 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579153580 1276895547 /nfs/dbraw/zinc/89/55/47/1276895547.db2.gz RDIMZLVQGQWWNO-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579153580 1276895554 /nfs/dbraw/zinc/89/55/54/1276895554.db2.gz RDIMZLVQGQWWNO-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(Cc1ccc([S@@](C)=O)cc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579253484 1277051254 /nfs/dbraw/zinc/05/12/54/1277051254.db2.gz PYWFYTFAEUJLRL-RUZDIDTESA-N -1 1 354.399 0.902 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579298195 1277124702 /nfs/dbraw/zinc/12/47/02/1277124702.db2.gz GVGDIVRFDCGUHR-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579298195 1277124707 /nfs/dbraw/zinc/12/47/07/1277124707.db2.gz GVGDIVRFDCGUHR-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433675 1277300380 /nfs/dbraw/zinc/30/03/80/1277300380.db2.gz MIOCCDRZTRQDAO-ZJUUUORDSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433795 1277304775 /nfs/dbraw/zinc/30/47/75/1277304775.db2.gz PFVKNELBRKGKHF-ZJUUUORDSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)C12CCC(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)(CC1)CC2 ZINC001579439567 1277319118 /nfs/dbraw/zinc/31/91/18/1277319118.db2.gz UXDDELMNWREFTM-UHFFFAOYSA-N -1 1 370.373 0.914 20 30 FCEDMM COC(=O)N1CCC([C@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001579453302 1277344974 /nfs/dbraw/zinc/34/49/74/1277344974.db2.gz QYRYVIPMFFZNOU-VIFPVBQESA-N -1 1 357.378 0.807 20 30 FCEDMM COC(=O)N1CCC([C@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001579453302 1277344979 /nfs/dbraw/zinc/34/49/79/1277344979.db2.gz QYRYVIPMFFZNOU-VIFPVBQESA-N -1 1 357.378 0.807 20 30 FCEDMM COC(=O)c1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)ccc1C ZINC001579476294 1277382962 /nfs/dbraw/zinc/38/29/62/1277382962.db2.gz BVKFRFCXJSMBNC-UHFFFAOYSA-N -1 1 352.314 0.809 20 30 FCEDMM COC(=O)c1ccc(OCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579484672 1277393741 /nfs/dbraw/zinc/39/37/41/1277393741.db2.gz ICNGDDLOCXTECG-UHFFFAOYSA-N -1 1 366.341 0.806 20 30 FCEDMM COCCN(CCNC(=O)[C@H](C)C#N)c1snc(C)c1-c1nn[n-]n1 ZINC001579792062 1277913710 /nfs/dbraw/zinc/91/37/10/1277913710.db2.gz FKMQZYCWUFJDKU-SECBINFHSA-N -1 1 364.435 0.360 20 30 FCEDMM COCc1ccc([C@@H]2COCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)o1 ZINC001579831649 1277926764 /nfs/dbraw/zinc/92/67/64/1277926764.db2.gz JJDCMUMPIRMSKH-LBPRGKRZSA-N -1 1 368.357 0.846 20 30 FCEDMM COCc1ccc([C@@H]2COCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)o1 ZINC001579831649 1277926768 /nfs/dbraw/zinc/92/67/68/1277926768.db2.gz JJDCMUMPIRMSKH-LBPRGKRZSA-N -1 1 368.357 0.846 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603189631 1287326858 /nfs/dbraw/zinc/32/68/58/1287326858.db2.gz QOVCRHKBWCDPBM-CYBMUJFWSA-N -1 1 354.418 0.601 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603189631 1287326862 /nfs/dbraw/zinc/32/68/62/1287326862.db2.gz QOVCRHKBWCDPBM-CYBMUJFWSA-N -1 1 354.418 0.601 20 30 FCEDMM Cc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2=O)cc1 ZINC001581207949 1279504272 /nfs/dbraw/zinc/50/42/72/1279504272.db2.gz DATWANAVAHYBLW-UHFFFAOYSA-N -1 1 361.369 0.690 20 30 FCEDMM Cc1cccc(C)c1OC[C@H](O)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581234928 1279522084 /nfs/dbraw/zinc/52/20/84/1279522084.db2.gz MGEWIVRJLKBRLU-GFCCVEGCSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1nsc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c1-c1nn[n-]n1 ZINC001581678309 1280385996 /nfs/dbraw/zinc/38/59/96/1280385996.db2.gz DAKGVOYVLUMUCJ-UHFFFAOYSA-N -1 1 369.414 0.794 20 30 FCEDMM Cn1nccc1[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001581838665 1280592209 /nfs/dbraw/zinc/59/22/09/1280592209.db2.gz ZXVFIZGNOOTQLT-JOYOIKCWSA-N -1 1 352.362 0.594 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@]2(C3CCCC3)CCNC2=O)nc1-c1nn[nH]n1 ZINC001581860065 1280610661 /nfs/dbraw/zinc/61/06/61/1280610661.db2.gz IZMYTROGCJDOJH-HNNXBMFYSA-N -1 1 355.362 0.096 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001581858706 1280610960 /nfs/dbraw/zinc/61/09/60/1280610960.db2.gz RWYYVDJRUSFQLG-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001581858706 1280610961 /nfs/dbraw/zinc/61/09/61/1280610961.db2.gz RWYYVDJRUSFQLG-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2ccn(CC(F)(F)F)n2)nc1-c1nn[nH]n1 ZINC001581860082 1280610971 /nfs/dbraw/zinc/61/09/71/1280610971.db2.gz JZVNHLJQDSYXTG-UHFFFAOYSA-N -1 1 366.267 0.401 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2COCCN2C2CCCC2)nc1-c1nn[nH]n1 ZINC001581860063 1280611618 /nfs/dbraw/zinc/61/16/18/1280611618.db2.gz IZKMFAKVTMJPRA-LLVKDONJSA-N -1 1 357.378 0.043 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581860225 1280612345 /nfs/dbraw/zinc/61/23/45/1280612345.db2.gz PVHCMCPHOVBMGV-GFCCVEGCSA-N -1 1 363.385 0.922 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581860225 1280612355 /nfs/dbraw/zinc/61/23/55/1280612355.db2.gz PVHCMCPHOVBMGV-GFCCVEGCSA-N -1 1 363.385 0.922 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864132 1280615877 /nfs/dbraw/zinc/61/58/77/1280615877.db2.gz HUWLHFZJRITCCA-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864132 1280615882 /nfs/dbraw/zinc/61/58/82/1280615882.db2.gz HUWLHFZJRITCCA-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864859 1280619420 /nfs/dbraw/zinc/61/94/20/1280619420.db2.gz ROGQDTSWFFPKLE-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864859 1280619422 /nfs/dbraw/zinc/61/94/22/1280619422.db2.gz ROGQDTSWFFPKLE-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001581867742 1280622523 /nfs/dbraw/zinc/62/25/23/1280622523.db2.gz UGLFXWGIKUIWOM-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001581867742 1280622526 /nfs/dbraw/zinc/62/25/26/1280622526.db2.gz UGLFXWGIKUIWOM-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867447 1280622672 /nfs/dbraw/zinc/62/26/72/1280622672.db2.gz ISPKNTXWMJOXCC-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867447 1280622679 /nfs/dbraw/zinc/62/26/79/1280622679.db2.gz ISPKNTXWMJOXCC-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)o1 ZINC001581869168 1280624675 /nfs/dbraw/zinc/62/46/75/1280624675.db2.gz LISUKBLHUXYZAF-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)o1 ZINC001581869168 1280624682 /nfs/dbraw/zinc/62/46/82/1280624682.db2.gz LISUKBLHUXYZAF-UHFFFAOYSA-N -1 1 355.318 0.143 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)[nH]1 ZINC001581867918 1280624842 /nfs/dbraw/zinc/62/48/42/1280624842.db2.gz BLUJHMZELFWQRN-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)[nH]1 ZINC001581867918 1280624849 /nfs/dbraw/zinc/62/48/49/1280624849.db2.gz BLUJHMZELFWQRN-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1csc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001581878685 1280636020 /nfs/dbraw/zinc/63/60/20/1280636020.db2.gz XJUOTZSRFKWBAR-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)CO2)cnc1-c1nnn[n-]1 ZINC001581880295 1280637676 /nfs/dbraw/zinc/63/76/76/1280637676.db2.gz FYSANKHQPHOLGA-NSHDSACASA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1nc(NC[C@@H]2CCC3(CCOCC3)CO2)cnc1-c1nn[n-]n1 ZINC001581880295 1280637680 /nfs/dbraw/zinc/63/76/80/1280637680.db2.gz FYSANKHQPHOLGA-NSHDSACASA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1nc(NC[C@@H](N2CCOCC2)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880613 1280639788 /nfs/dbraw/zinc/63/97/88/1280639788.db2.gz PYCNRNGGPRCCDG-SECBINFHSA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1nc(NC[C@@H](N2CCOCC2)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880613 1280639792 /nfs/dbraw/zinc/63/97/92/1280639792.db2.gz PYCNRNGGPRCCDG-SECBINFHSA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(C3CCCCC3)C2=O)nc1-c1nn[n-]n1 ZINC001581882479 1280643071 /nfs/dbraw/zinc/64/30/71/1280643071.db2.gz AHMKUEBEFDDTAA-LLVKDONJSA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(C3CCCCC3)C2=O)nc1-c1nn[n-]n1 ZINC001581882480 1280643587 /nfs/dbraw/zinc/64/35/87/1280643587.db2.gz AHMKUEBEFDDTAA-NSHDSACASA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N2CCN(c3ccc(F)cn3)CC2)nc1-c1nn[n-]n1 ZINC001581882417 1280645174 /nfs/dbraw/zinc/64/51/74/1280645174.db2.gz XYMUSYOPCNHYRW-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1ncc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nc1-c1nn[n-]n1 ZINC001581883132 1280647035 /nfs/dbraw/zinc/64/70/35/1280647035.db2.gz OZUWLPHXYYZVCE-SNVBAGLBSA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)nc1-c1nn[n-]n1 ZINC001581883400 1280647071 /nfs/dbraw/zinc/64/70/71/1280647071.db2.gz YKLSFYWUYMWMFI-ZYHUDNBSSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(CC(F)(F)F)C2=O)nc1-c1nn[n-]n1 ZINC001581883200 1280648287 /nfs/dbraw/zinc/64/82/87/1280648287.db2.gz REKOZMDQWDCBGH-ZCFIWIBFSA-N -1 1 353.268 0.103 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581912720 1280716321 /nfs/dbraw/zinc/71/63/21/1280716321.db2.gz VZSSTHSCSFNYIG-ACJLOTCBSA-N -1 1 364.413 0.688 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687270 1287470620 /nfs/dbraw/zinc/47/06/20/1287470620.db2.gz RPIRSVBIZGNRAN-RISCZKNCSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687270 1287470623 /nfs/dbraw/zinc/47/06/23/1287470623.db2.gz RPIRSVBIZGNRAN-RISCZKNCSA-N -1 1 368.401 0.098 20 30 FCEDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001634123500 1282301558 /nfs/dbraw/zinc/30/15/58/1282301558.db2.gz DXKNZMHLLBPASJ-UHFFFAOYSA-N -1 1 358.402 0.890 20 30 FCEDMM C#C[C@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001588328626 1282421073 /nfs/dbraw/zinc/42/10/73/1282421073.db2.gz MFUQESFRKAHYQJ-WDEREUQCSA-N -1 1 353.429 0.528 20 30 FCEDMM C#CC[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001588334025 1282427705 /nfs/dbraw/zinc/42/77/05/1282427705.db2.gz LWQXENZHKBLLGM-CYBMUJFWSA-N -1 1 351.374 0.522 20 30 FCEDMM C#CC[C@H](Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001588334045 1282428002 /nfs/dbraw/zinc/42/80/02/1282428002.db2.gz MLHAYVVXKHOWDF-CYBMUJFWSA-N -1 1 365.397 0.311 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588336243 1282428766 /nfs/dbraw/zinc/42/87/66/1282428766.db2.gz KVRWZFQVEMIVOX-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588336243 1282428773 /nfs/dbraw/zinc/42/87/73/1282428773.db2.gz KVRWZFQVEMIVOX-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588336874 1282429814 /nfs/dbraw/zinc/42/98/14/1282429814.db2.gz VOSVHHGYFXGQAH-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CC[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001588337556 1282430478 /nfs/dbraw/zinc/43/04/78/1282430478.db2.gz RXWGOMRLWRZRQZ-SNVBAGLBSA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338467 1282430561 /nfs/dbraw/zinc/43/05/61/1282430561.db2.gz LOEUVGALCXGDHT-QWHCGFSZSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338889 1282433164 /nfs/dbraw/zinc/43/31/64/1282433164.db2.gz QHKUWBOZRQUUKB-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338889 1282433168 /nfs/dbraw/zinc/43/31/68/1282433168.db2.gz QHKUWBOZRQUUKB-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588340217 1282434651 /nfs/dbraw/zinc/43/46/51/1282434651.db2.gz JDAINZWMBQFATH-UHFFFAOYSA-N -1 1 352.402 0.713 20 30 FCEDMM C#CCCCC(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588340217 1282434656 /nfs/dbraw/zinc/43/46/56/1282434656.db2.gz JDAINZWMBQFATH-UHFFFAOYSA-N -1 1 352.402 0.713 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001588339390 1282434905 /nfs/dbraw/zinc/43/49/05/1282434905.db2.gz ZJFVBJWMRHIRKV-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001588339390 1282434908 /nfs/dbraw/zinc/43/49/08/1282434908.db2.gz ZJFVBJWMRHIRKV-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001588339326 1282434948 /nfs/dbraw/zinc/43/49/48/1282434948.db2.gz XOPKAIANRVVNAW-UHFFFAOYSA-N -1 1 354.418 0.723 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588339879 1282435078 /nfs/dbraw/zinc/43/50/78/1282435078.db2.gz YMSZVQVQQUBWQV-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588339879 1282435080 /nfs/dbraw/zinc/43/50/80/1282435080.db2.gz YMSZVQVQQUBWQV-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1C ZINC001588340850 1282435435 /nfs/dbraw/zinc/43/54/35/1282435435.db2.gz IXKCQIBTUQZPGY-TZMCWYRMSA-N -1 1 368.445 0.964 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1C ZINC001588340850 1282435441 /nfs/dbraw/zinc/43/54/41/1282435441.db2.gz IXKCQIBTUQZPGY-TZMCWYRMSA-N -1 1 368.445 0.964 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588341459 1282435846 /nfs/dbraw/zinc/43/58/46/1282435846.db2.gz IJQJXOAZXYBTGC-GOSISDBHSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588340620 1282436875 /nfs/dbraw/zinc/43/68/75/1282436875.db2.gz YGCQQHFYGKLCOI-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588340620 1282436882 /nfs/dbraw/zinc/43/68/82/1282436882.db2.gz YGCQQHFYGKLCOI-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCCC(=O)N1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588343669 1282439721 /nfs/dbraw/zinc/43/97/21/1282439721.db2.gz OXTYFCPAPSARIP-UHFFFAOYSA-N -1 1 354.418 0.807 20 30 FCEDMM C#CCCCCC(=O)N1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588343669 1282439725 /nfs/dbraw/zinc/43/97/25/1282439725.db2.gz OXTYFCPAPSARIP-UHFFFAOYSA-N -1 1 354.418 0.807 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588344989 1282440154 /nfs/dbraw/zinc/44/01/54/1282440154.db2.gz LSDMSWZWZUPTFD-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588344989 1282440160 /nfs/dbraw/zinc/44/01/60/1282440160.db2.gz LSDMSWZWZUPTFD-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(CC)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1CCOC ZINC001588350621 1282443497 /nfs/dbraw/zinc/44/34/97/1282443497.db2.gz IDIZWNKMGUVYJZ-UHFFFAOYSA-N -1 1 353.390 0.626 20 30 FCEDMM C#CCN(CC)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1CCOC ZINC001588350621 1282443503 /nfs/dbraw/zinc/44/35/03/1282443503.db2.gz IDIZWNKMGUVYJZ-UHFFFAOYSA-N -1 1 353.390 0.626 20 30 FCEDMM C#CCN(C1CSC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588349403 1282443553 /nfs/dbraw/zinc/44/35/53/1282443553.db2.gz DKWXTBYDJLWXBJ-UHFFFAOYSA-N -1 1 353.404 0.745 20 30 FCEDMM C#CCN(CC#C)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1CCOC ZINC001588349373 1282444314 /nfs/dbraw/zinc/44/43/14/1282444314.db2.gz BOYICQZJWPUFPA-UHFFFAOYSA-N -1 1 363.385 0.239 20 30 FCEDMM C#CCN(CC#C)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1CCOC ZINC001588349373 1282444319 /nfs/dbraw/zinc/44/43/19/1282444319.db2.gz BOYICQZJWPUFPA-UHFFFAOYSA-N -1 1 363.385 0.239 20 30 FCEDMM C#CCN(CC#C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CC(C)C ZINC001588349914 1282445045 /nfs/dbraw/zinc/44/50/45/1282445045.db2.gz RKFOMJMHGPDMMD-UHFFFAOYSA-N -1 1 350.390 0.577 20 30 FCEDMM C#CCNC(=O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001588354369 1282449130 /nfs/dbraw/zinc/44/91/30/1282449130.db2.gz LIXIURHXRLQNIE-UHFFFAOYSA-N -1 1 355.358 0.741 20 30 FCEDMM C#CCNC(=O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001588354369 1282449135 /nfs/dbraw/zinc/44/91/35/1282449135.db2.gz LIXIURHXRLQNIE-UHFFFAOYSA-N -1 1 355.358 0.741 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588355201 1282453786 /nfs/dbraw/zinc/45/37/86/1282453786.db2.gz GARCTUJLZYJJAT-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588355201 1282453789 /nfs/dbraw/zinc/45/37/89/1282453789.db2.gz GARCTUJLZYJJAT-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588355198 1282453871 /nfs/dbraw/zinc/45/38/71/1282453871.db2.gz GARCTUJLZYJJAT-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588355198 1282453875 /nfs/dbraw/zinc/45/38/75/1282453875.db2.gz GARCTUJLZYJJAT-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)CC(C)C ZINC001588355364 1282454070 /nfs/dbraw/zinc/45/40/70/1282454070.db2.gz HFHSARDOMLEHPL-STQMWFEESA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)CC(C)C ZINC001588355364 1282454077 /nfs/dbraw/zinc/45/40/77/1282454077.db2.gz HFHSARDOMLEHPL-STQMWFEESA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588356183 1282457386 /nfs/dbraw/zinc/45/73/86/1282457386.db2.gz UNUNORRUHLYHGI-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588356183 1282457389 /nfs/dbraw/zinc/45/73/89/1282457389.db2.gz UNUNORRUHLYHGI-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588356627 1282461050 /nfs/dbraw/zinc/46/10/50/1282461050.db2.gz YTVZPTUSNUWZJF-NWDGAFQWSA-N -1 1 372.433 0.422 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588356627 1282461054 /nfs/dbraw/zinc/46/10/54/1282461054.db2.gz YTVZPTUSNUWZJF-NWDGAFQWSA-N -1 1 372.433 0.422 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588358455 1282468311 /nfs/dbraw/zinc/46/83/11/1282468311.db2.gz SLMRFZDSGCVHED-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588358455 1282468317 /nfs/dbraw/zinc/46/83/17/1282468317.db2.gz SLMRFZDSGCVHED-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588358444 1282468672 /nfs/dbraw/zinc/46/86/72/1282468672.db2.gz RYKBJLQJQLFUHX-NSHDSACASA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588358444 1282468678 /nfs/dbraw/zinc/46/86/78/1282468678.db2.gz RYKBJLQJQLFUHX-NSHDSACASA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588358539 1282470840 /nfs/dbraw/zinc/47/08/40/1282470840.db2.gz YRTVXGQDKNLCGY-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588358539 1282470844 /nfs/dbraw/zinc/47/08/44/1282470844.db2.gz YRTVXGQDKNLCGY-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588359076 1282472865 /nfs/dbraw/zinc/47/28/65/1282472865.db2.gz GWDUHQXPAODRRY-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588359076 1282472869 /nfs/dbraw/zinc/47/28/69/1282472869.db2.gz GWDUHQXPAODRRY-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588359441 1282474342 /nfs/dbraw/zinc/47/43/42/1282474342.db2.gz OKIGDZQOJROMRY-ZDUSSCGKSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588359441 1282474347 /nfs/dbraw/zinc/47/43/47/1282474347.db2.gz OKIGDZQOJROMRY-ZDUSSCGKSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588360650 1282478937 /nfs/dbraw/zinc/47/89/37/1282478937.db2.gz UDKJTVZAUPZJFS-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588360650 1282478941 /nfs/dbraw/zinc/47/89/41/1282478941.db2.gz UDKJTVZAUPZJFS-CHWSQXEVSA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588360880 1282480091 /nfs/dbraw/zinc/48/00/91/1282480091.db2.gz XAHXXHHBFXHRAU-CYBMUJFWSA-N -1 1 370.417 0.265 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588360880 1282480098 /nfs/dbraw/zinc/48/00/98/1282480098.db2.gz XAHXXHHBFXHRAU-CYBMUJFWSA-N -1 1 370.417 0.265 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588361395 1282482262 /nfs/dbraw/zinc/48/22/62/1282482262.db2.gz LPRGSLUQYHJMJT-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588361395 1282482267 /nfs/dbraw/zinc/48/22/67/1282482267.db2.gz LPRGSLUQYHJMJT-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001588361875 1282484301 /nfs/dbraw/zinc/48/43/01/1282484301.db2.gz LWVHOMOXTPZWFK-UHFFFAOYSA-N -1 1 352.358 0.934 20 30 FCEDMM C#CCOc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001588361875 1282484305 /nfs/dbraw/zinc/48/43/05/1282484305.db2.gz LWVHOMOXTPZWFK-UHFFFAOYSA-N -1 1 352.358 0.934 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001588361476 1282485569 /nfs/dbraw/zinc/48/55/69/1282485569.db2.gz NXWZFSXGLQEUDK-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#CCOCCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001588361476 1282485574 /nfs/dbraw/zinc/48/55/74/1282485574.db2.gz NXWZFSXGLQEUDK-UHFFFAOYSA-N -1 1 356.390 0.147 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588361961 1282487084 /nfs/dbraw/zinc/48/70/84/1282487084.db2.gz VDZFXUIFTLWOTA-CYBMUJFWSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588361961 1282487088 /nfs/dbraw/zinc/48/70/88/1282487088.db2.gz VDZFXUIFTLWOTA-CYBMUJFWSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588362366 1282487707 /nfs/dbraw/zinc/48/77/07/1282487707.db2.gz BTGGQJTYODPDSW-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588362366 1282487713 /nfs/dbraw/zinc/48/77/13/1282487713.db2.gz BTGGQJTYODPDSW-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001588364376 1282491522 /nfs/dbraw/zinc/49/15/22/1282491522.db2.gz CHPHAAABQGJSMV-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001588364376 1282491531 /nfs/dbraw/zinc/49/15/31/1282491531.db2.gz CHPHAAABQGJSMV-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001588365086 1282491547 /nfs/dbraw/zinc/49/15/47/1282491547.db2.gz RNCHIFGTZWZJMM-LBPRGKRZSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001588365086 1282491554 /nfs/dbraw/zinc/49/15/54/1282491554.db2.gz RNCHIFGTZWZJMM-LBPRGKRZSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364579 1282491978 /nfs/dbraw/zinc/49/19/78/1282491978.db2.gz HZTBMFRKRNNJLT-LBPRGKRZSA-N -1 1 362.397 0.680 20 30 FCEDMM C#Cc1cncc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001588381046 1282498062 /nfs/dbraw/zinc/49/80/62/1282498062.db2.gz RVDCDVSEQRVLNC-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1cncc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001588381046 1282498068 /nfs/dbraw/zinc/49/80/68/1282498068.db2.gz RVDCDVSEQRVLNC-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)OCC ZINC001588403080 1282499400 /nfs/dbraw/zinc/49/94/00/1282499400.db2.gz UHCMXSCJAUKSSG-CQSZACIVSA-N -1 1 374.449 0.889 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)OCC ZINC001588403080 1282499407 /nfs/dbraw/zinc/49/94/07/1282499407.db2.gz UHCMXSCJAUKSSG-CQSZACIVSA-N -1 1 374.449 0.889 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402999 1282500954 /nfs/dbraw/zinc/50/09/54/1282500954.db2.gz RSZHMMQNMIZBBJ-QWHCGFSZSA-N -1 1 374.449 0.709 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001588417777 1282504339 /nfs/dbraw/zinc/50/43/39/1282504339.db2.gz GBFIIDIDJUACSF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001588417777 1282504353 /nfs/dbraw/zinc/50/43/53/1282504353.db2.gz GBFIIDIDJUACSF-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588447812 1282507437 /nfs/dbraw/zinc/50/74/37/1282507437.db2.gz LCDWYGMIGLEQMX-LBPRGKRZSA-N -1 1 372.433 0.553 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588447812 1282507449 /nfs/dbraw/zinc/50/74/49/1282507449.db2.gz LCDWYGMIGLEQMX-LBPRGKRZSA-N -1 1 372.433 0.553 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588448427 1282508343 /nfs/dbraw/zinc/50/83/43/1282508343.db2.gz YEMBWEAVVNWWKK-LLVKDONJSA-N -1 1 358.406 0.244 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588448427 1282508353 /nfs/dbraw/zinc/50/83/53/1282508353.db2.gz YEMBWEAVVNWWKK-LLVKDONJSA-N -1 1 358.406 0.244 20 30 FCEDMM C=C1CC(C)(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001588448646 1282509207 /nfs/dbraw/zinc/50/92/07/1282509207.db2.gz AVVQVLCDKSLQSA-BETUJISGSA-N -1 1 366.429 0.908 20 30 FCEDMM C=C1CC(C)(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001588448646 1282509216 /nfs/dbraw/zinc/50/92/16/1282509216.db2.gz AVVQVLCDKSLQSA-BETUJISGSA-N -1 1 366.429 0.908 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)CCOCCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588448459 1282509384 /nfs/dbraw/zinc/50/93/84/1282509384.db2.gz ZOTWDKXXXVJMBR-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)CCOCCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588448459 1282509395 /nfs/dbraw/zinc/50/93/95/1282509395.db2.gz ZOTWDKXXXVJMBR-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588442743 1282509455 /nfs/dbraw/zinc/50/94/55/1282509455.db2.gz JZEXGCOMELHZIW-NMALROFRSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588442743 1282509465 /nfs/dbraw/zinc/50/94/65/1282509465.db2.gz JZEXGCOMELHZIW-NMALROFRSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C1CCC(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001588462982 1282511135 /nfs/dbraw/zinc/51/11/35/1282511135.db2.gz ZEPVNFQNWFAVLL-UHFFFAOYSA-N -1 1 359.390 0.382 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC1 ZINC001588462113 1282511405 /nfs/dbraw/zinc/51/14/05/1282511405.db2.gz FZVYHUPTBVIMOQ-VIKVFOODSA-N -1 1 366.429 0.954 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC1 ZINC001588462113 1282511409 /nfs/dbraw/zinc/51/14/09/1282511409.db2.gz FZVYHUPTBVIMOQ-VIKVFOODSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588467828 1282515183 /nfs/dbraw/zinc/51/51/83/1282515183.db2.gz DWIQYLHPHOMCFC-NEPJUHHUSA-N -1 1 356.434 0.797 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588476340 1282516667 /nfs/dbraw/zinc/51/66/67/1282516667.db2.gz VDVSMUBSCDTOOO-DGCLKSJQSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588476340 1282516674 /nfs/dbraw/zinc/51/66/74/1282516674.db2.gz VDVSMUBSCDTOOO-DGCLKSJQSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475529 1282516945 /nfs/dbraw/zinc/51/69/45/1282516945.db2.gz MMWOGHMONDSVKU-AAEUAGOBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475529 1282516952 /nfs/dbraw/zinc/51/69/52/1282516952.db2.gz MMWOGHMONDSVKU-AAEUAGOBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588483383 1282520800 /nfs/dbraw/zinc/52/08/00/1282520800.db2.gz IHGOWPKQYMPMNZ-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588483383 1282520807 /nfs/dbraw/zinc/52/08/07/1282520807.db2.gz IHGOWPKQYMPMNZ-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588481664 1282521250 /nfs/dbraw/zinc/52/12/50/1282521250.db2.gz NHQKCKDJLHMAMM-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588481664 1282521262 /nfs/dbraw/zinc/52/12/62/1282521262.db2.gz NHQKCKDJLHMAMM-NSHDSACASA-N -1 1 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C=CCCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588611761 1282590182 /nfs/dbraw/zinc/59/01/82/1282590182.db2.gz WIKZFXGJTFADBJ-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588611761 1282590192 /nfs/dbraw/zinc/59/01/92/1282590192.db2.gz WIKZFXGJTFADBJ-YPMHNXCESA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588611264 1282591195 /nfs/dbraw/zinc/59/11/95/1282591195.db2.gz RILBWRGUQHMERD-UHFFFAOYSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588611264 1282591203 /nfs/dbraw/zinc/59/12/03/1282591203.db2.gz RILBWRGUQHMERD-UHFFFAOYSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588615808 1282592550 /nfs/dbraw/zinc/59/25/50/1282592550.db2.gz IPIRJIHEVWYLAG-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588615808 1282592558 /nfs/dbraw/zinc/59/25/58/1282592558.db2.gz IPIRJIHEVWYLAG-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588611813 1282592993 /nfs/dbraw/zinc/59/29/93/1282592993.db2.gz XMQPIOAIDSTSHD-QWHCGFSZSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588611813 1282592997 /nfs/dbraw/zinc/59/29/97/1282592997.db2.gz XMQPIOAIDSTSHD-QWHCGFSZSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588611912 1282593267 /nfs/dbraw/zinc/59/32/67/1282593267.db2.gz ZKLRUWAQSYPMHV-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588611912 1282593274 /nfs/dbraw/zinc/59/32/74/1282593274.db2.gz ZKLRUWAQSYPMHV-QWHCGFSZSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588616274 1282595455 /nfs/dbraw/zinc/59/54/55/1282595455.db2.gz CFDWHAGLUXFEQH-LBPRGKRZSA-N -1 1 374.449 0.614 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588616046 1282597323 /nfs/dbraw/zinc/59/73/23/1282597323.db2.gz SETUYFPSTDKVQE-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588616046 1282597329 /nfs/dbraw/zinc/59/73/29/1282597329.db2.gz SETUYFPSTDKVQE-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588617704 1282598644 /nfs/dbraw/zinc/59/86/44/1282598644.db2.gz YEILZTWVMCYSEX-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCNC(=O)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588658205 1282610435 /nfs/dbraw/zinc/61/04/35/1282610435.db2.gz BPWYPACWLQYBGP-UHFFFAOYSA-N -1 1 356.264 0.740 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588664976 1282615860 /nfs/dbraw/zinc/61/58/60/1282615860.db2.gz APXIDGVEHIPJGO-LBPRGKRZSA-N -1 1 358.406 0.205 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588664976 1282615868 /nfs/dbraw/zinc/61/58/68/1282615868.db2.gz APXIDGVEHIPJGO-LBPRGKRZSA-N -1 1 358.406 0.205 20 30 FCEDMM C=CCOCC(=O)N(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588665035 1282615957 /nfs/dbraw/zinc/61/59/57/1282615957.db2.gz CRAICBGJSUOIJG-LLVKDONJSA-N -1 1 360.422 0.681 20 30 FCEDMM C=CCOCC(=O)N(C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588665035 1282615966 /nfs/dbraw/zinc/61/59/66/1282615966.db2.gz CRAICBGJSUOIJG-LLVKDONJSA-N -1 1 360.422 0.681 20 30 FCEDMM C=CCOCC(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588666190 1282621542 /nfs/dbraw/zinc/62/15/42/1282621542.db2.gz BVQWPPSSHHBOKX-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCC(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588666190 1282621550 /nfs/dbraw/zinc/62/15/50/1282621550.db2.gz BVQWPPSSHHBOKX-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](CC)C1 ZINC001588666934 1282622353 /nfs/dbraw/zinc/62/23/53/1282622353.db2.gz OJCWGBHUFOCEDT-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](CC)C1 ZINC001588666934 1282622366 /nfs/dbraw/zinc/62/23/66/1282622366.db2.gz OJCWGBHUFOCEDT-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588667194 1282623461 /nfs/dbraw/zinc/62/34/61/1282623461.db2.gz SDDYHEXHHUPTCI-ZDUSSCGKSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588667194 1282623472 /nfs/dbraw/zinc/62/34/72/1282623472.db2.gz SDDYHEXHHUPTCI-ZDUSSCGKSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001588667395 1282623710 /nfs/dbraw/zinc/62/37/10/1282623710.db2.gz YALXSUAAIOTOKE-VXGBXAGGSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588667395 1282623722 /nfs/dbraw/zinc/62/37/22/1282623722.db2.gz YALXSUAAIOTOKE-VXGBXAGGSA-N -1 1 358.406 0.569 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)[C@@H]1C ZINC001588667355 1282624782 /nfs/dbraw/zinc/62/47/82/1282624782.db2.gz WYQSFGBURVUZPW-NWDGAFQWSA-N -1 1 372.433 0.823 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)[C@@H]1C ZINC001588667355 1282624793 /nfs/dbraw/zinc/62/47/93/1282624793.db2.gz WYQSFGBURVUZPW-NWDGAFQWSA-N -1 1 372.433 0.823 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588671998 1282628345 /nfs/dbraw/zinc/62/83/45/1282628345.db2.gz QXTAZFIRWAPCIN-GFCCVEGCSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588671998 1282628356 /nfs/dbraw/zinc/62/83/56/1282628356.db2.gz QXTAZFIRWAPCIN-GFCCVEGCSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588672648 1282628822 /nfs/dbraw/zinc/62/88/22/1282628822.db2.gz XTGJHOGGIBAKHE-CHWSQXEVSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588672040 1282628867 /nfs/dbraw/zinc/62/88/67/1282628867.db2.gz RJFIDLRMQDNSOO-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588672040 1282628878 /nfs/dbraw/zinc/62/88/78/1282628878.db2.gz RJFIDLRMQDNSOO-LBPRGKRZSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588674641 1282630577 /nfs/dbraw/zinc/63/05/77/1282630577.db2.gz QSJVNSPVRKGFOH-NWDGAFQWSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588674641 1282630590 /nfs/dbraw/zinc/63/05/90/1282630590.db2.gz QSJVNSPVRKGFOH-NWDGAFQWSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001588674516 1282631817 /nfs/dbraw/zinc/63/18/17/1282631817.db2.gz PGTBOYYDLAUFDO-CHWSQXEVSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001588674516 1282631828 /nfs/dbraw/zinc/63/18/28/1282631828.db2.gz PGTBOYYDLAUFDO-CHWSQXEVSA-N -1 1 370.417 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588674555 1282631937 /nfs/dbraw/zinc/63/19/37/1282631937.db2.gz PRMGQGTTYMCWEG-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588674555 1282631960 /nfs/dbraw/zinc/63/19/60/1282631960.db2.gz PRMGQGTTYMCWEG-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1CC ZINC001588676625 1282633515 /nfs/dbraw/zinc/63/35/15/1282633515.db2.gz YFFINMURUZMTJB-WCQYABFASA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1CC ZINC001588676625 1282633523 /nfs/dbraw/zinc/63/35/23/1282633523.db2.gz YFFINMURUZMTJB-WCQYABFASA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588676401 1282633740 /nfs/dbraw/zinc/63/37/40/1282633740.db2.gz STILPVXBGYCKCQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588676401 1282633751 /nfs/dbraw/zinc/63/37/51/1282633751.db2.gz STILPVXBGYCKCQ-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCCCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588680767 1282637480 /nfs/dbraw/zinc/63/74/80/1282637480.db2.gz CKCRSOFXQCBMFL-ZDUSSCGKSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588681730 1282641244 /nfs/dbraw/zinc/64/12/44/1282641244.db2.gz GCHKBMLMAPSGSV-TZMCWYRMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588681730 1282641256 /nfs/dbraw/zinc/64/12/56/1282641256.db2.gz GCHKBMLMAPSGSV-TZMCWYRMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588682942 1282647001 /nfs/dbraw/zinc/64/70/01/1282647001.db2.gz UZFVZNPCIXQFAH-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001588699179 1282652664 /nfs/dbraw/zinc/65/26/64/1282652664.db2.gz FFIKODGFOVMNAY-MNOVXSKESA-N -1 1 356.394 0.648 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCC[C@@H](OC)C1 ZINC001588699404 1282653857 /nfs/dbraw/zinc/65/38/57/1282653857.db2.gz IRQGIVCXDUDVPI-SNVBAGLBSA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@H](OC)C1 ZINC001588704644 1282654484 /nfs/dbraw/zinc/65/44/84/1282654484.db2.gz NWOAFZQWDHYZPC-JTQLQIEISA-N -1 1 354.378 0.326 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@H](OC)C1 ZINC001588704644 1282654493 /nfs/dbraw/zinc/65/44/93/1282654493.db2.gz NWOAFZQWDHYZPC-JTQLQIEISA-N -1 1 354.378 0.326 20 30 FCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001588712590 1282657034 /nfs/dbraw/zinc/65/70/34/1282657034.db2.gz ACKUAZKIOIGKRR-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001588712590 1282657048 /nfs/dbraw/zinc/65/70/48/1282657048.db2.gz ACKUAZKIOIGKRR-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001588708600 1282658291 /nfs/dbraw/zinc/65/82/91/1282658291.db2.gz JKLUUYANVVRNHO-WDEREUQCSA-N -1 1 373.400 0.468 20 30 FCEDMM C=CCn1cc(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001588713738 1282660672 /nfs/dbraw/zinc/66/06/72/1282660672.db2.gz RLDWULSTYFPVBR-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001588713738 1282660685 /nfs/dbraw/zinc/66/06/85/1282660685.db2.gz RLDWULSTYFPVBR-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588721513 1282667828 /nfs/dbraw/zinc/66/78/28/1282667828.db2.gz KJNKTRXQHZEUTE-OLZOCXBDSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588721513 1282667835 /nfs/dbraw/zinc/66/78/35/1282667835.db2.gz KJNKTRXQHZEUTE-OLZOCXBDSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588723837 1282673027 /nfs/dbraw/zinc/67/30/27/1282673027.db2.gz QZAJDMIRDRCELG-CZXHOFHRSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588723837 1282673040 /nfs/dbraw/zinc/67/30/40/1282673040.db2.gz QZAJDMIRDRCELG-CZXHOFHRSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588723853 1282673071 /nfs/dbraw/zinc/67/30/71/1282673071.db2.gz RQWDNYKCZGZTNT-BZPMIXESSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588723853 1282673086 /nfs/dbraw/zinc/67/30/86/1282673086.db2.gz RQWDNYKCZGZTNT-BZPMIXESSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588725606 1282674233 /nfs/dbraw/zinc/67/42/33/1282674233.db2.gz HATQXIHZGLUUBX-LPWJVIDDSA-N -1 1 370.417 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588725606 1282674247 /nfs/dbraw/zinc/67/42/47/1282674247.db2.gz HATQXIHZGLUUBX-LPWJVIDDSA-N -1 1 370.417 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588725407 1282675845 /nfs/dbraw/zinc/67/58/45/1282675845.db2.gz DBSIJHYWRRZHLO-OXHZDVMGSA-N -1 1 370.417 0.189 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588725407 1282675857 /nfs/dbraw/zinc/67/58/57/1282675857.db2.gz DBSIJHYWRRZHLO-OXHZDVMGSA-N -1 1 370.417 0.189 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001588744378 1282684631 /nfs/dbraw/zinc/68/46/31/1282684631.db2.gz YJWPYDFPHSXDRB-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001588744378 1282684642 /nfs/dbraw/zinc/68/46/42/1282684642.db2.gz YJWPYDFPHSXDRB-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588746212 1282684936 /nfs/dbraw/zinc/68/49/36/1282684936.db2.gz NXMHVMRJTHUKRN-LBPRGKRZSA-N -1 1 355.406 0.290 20 30 FCEDMM CC#CCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588746212 1282684943 /nfs/dbraw/zinc/68/49/43/1282684943.db2.gz NXMHVMRJTHUKRN-LBPRGKRZSA-N -1 1 355.406 0.290 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001588744377 1282687907 /nfs/dbraw/zinc/68/79/07/1282687907.db2.gz YJWPYDFPHSXDRB-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001588744377 1282687919 /nfs/dbraw/zinc/68/79/19/1282687919.db2.gz YJWPYDFPHSXDRB-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C[C@](C#N)(NC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CC1 ZINC001588924364 1282727131 /nfs/dbraw/zinc/72/71/31/1282727131.db2.gz LDJZZNOLWGDEQJ-QGZVFWFLSA-N -1 1 353.386 0.326 20 30 FCEDMM C[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588935971 1282733776 /nfs/dbraw/zinc/73/37/76/1282733776.db2.gz BVGTZLJRXOUWRW-ONGXEEELSA-N -1 1 351.330 0.367 20 30 FCEDMM C[C@H](C(=O)NC1(C#N)CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588970409 1282746689 /nfs/dbraw/zinc/74/66/89/1282746689.db2.gz HYBISDNVJSIVAX-SECBINFHSA-N -1 1 359.350 0.875 20 30 FCEDMM C[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027263 1282776924 /nfs/dbraw/zinc/77/69/24/1282776924.db2.gz MLZLXDGXYUMYJN-VIFPVBQESA-N -1 1 367.329 0.073 20 30 FCEDMM CC(C)(CC#N)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589267432 1282823436 /nfs/dbraw/zinc/82/34/36/1282823436.db2.gz XHYXGDSPCNPYBI-UHFFFAOYSA-N -1 1 365.375 0.993 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589379869 1282854237 /nfs/dbraw/zinc/85/42/37/1282854237.db2.gz DJUHPSIOMAPCNM-CYBMUJFWSA-N -1 1 354.418 0.389 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589380251 1282856964 /nfs/dbraw/zinc/85/69/64/1282856964.db2.gz QTTBBWHCYNUYGQ-QWHCGFSZSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589380251 1282856975 /nfs/dbraw/zinc/85/69/75/1282856975.db2.gz QTTBBWHCYNUYGQ-QWHCGFSZSA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589384161 1282857784 /nfs/dbraw/zinc/85/77/84/1282857784.db2.gz AVMRRIPNQQFEQY-GXTWGEPZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589384161 1282857790 /nfs/dbraw/zinc/85/77/90/1282857790.db2.gz AVMRRIPNQQFEQY-GXTWGEPZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589385253 1282859284 /nfs/dbraw/zinc/85/92/84/1282859284.db2.gz YBXUCKFYXRKRCM-OCCSQVGLSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589385253 1282859293 /nfs/dbraw/zinc/85/92/93/1282859293.db2.gz YBXUCKFYXRKRCM-OCCSQVGLSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001589384467 1282859757 /nfs/dbraw/zinc/85/97/57/1282859757.db2.gz GZZSBWRILCEFBV-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001589384467 1282859769 /nfs/dbraw/zinc/85/97/69/1282859769.db2.gz GZZSBWRILCEFBV-OLZOCXBDSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589385251 1282861134 /nfs/dbraw/zinc/86/11/34/1282861134.db2.gz YBXUCKFYXRKRCM-GXTWGEPZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589385251 1282861152 /nfs/dbraw/zinc/86/11/52/1282861152.db2.gz YBXUCKFYXRKRCM-GXTWGEPZSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001589387315 1282862265 /nfs/dbraw/zinc/86/22/65/1282862265.db2.gz KOEKKAHDCWJFHR-IHRRRGAJSA-N -1 1 366.429 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001589387638 1282863256 /nfs/dbraw/zinc/86/32/56/1282863256.db2.gz NEAYLQDPWGHTBH-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001589388500 1282866444 /nfs/dbraw/zinc/86/64/44/1282866444.db2.gz YJRMDDXDGBSRLO-QMMMGPOBSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001589388500 1282866451 /nfs/dbraw/zinc/86/64/51/1282866451.db2.gz YJRMDDXDGBSRLO-QMMMGPOBSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001589388499 1282867385 /nfs/dbraw/zinc/86/73/85/1282867385.db2.gz YJRMDDXDGBSRLO-MRVPVSSYSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001589388499 1282867401 /nfs/dbraw/zinc/86/74/01/1282867401.db2.gz YJRMDDXDGBSRLO-MRVPVSSYSA-N -1 1 369.838 0.525 20 30 FCEDMM CC(C)C#CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001589389974 1282872076 /nfs/dbraw/zinc/87/20/76/1282872076.db2.gz VLPONAKCIPVWNI-UHFFFAOYSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001589389974 1282872085 /nfs/dbraw/zinc/87/20/85/1282872085.db2.gz VLPONAKCIPVWNI-UHFFFAOYSA-N -1 1 354.418 0.649 20 30 FCEDMM C[C@@H](Cn1ncc2ccccc2c1=O)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589906211 1283117187 /nfs/dbraw/zinc/11/71/87/1283117187.db2.gz PCOAUQAXKKQSOK-JTQLQIEISA-N -1 1 374.368 0.739 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590099784 1283212952 /nfs/dbraw/zinc/21/29/52/1283212952.db2.gz FKCSYIKVZQLNHJ-ZDUSSCGKSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590099784 1283212963 /nfs/dbraw/zinc/21/29/63/1283212963.db2.gz FKCSYIKVZQLNHJ-ZDUSSCGKSA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)CSCC#N ZINC001590108357 1283220467 /nfs/dbraw/zinc/22/04/67/1283220467.db2.gz PDDVRIZMJSMKSX-LLVKDONJSA-N -1 1 373.446 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1283281183 /nfs/dbraw/zinc/28/11/83/1283281183.db2.gz MPRPXPJFOHXHGV-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175194 1283281189 /nfs/dbraw/zinc/28/11/89/1283281189.db2.gz MPRPXPJFOHXHGV-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CSCC#N ZINC001590175436 1283281389 /nfs/dbraw/zinc/28/13/89/1283281389.db2.gz QITZNHDHRYXNSL-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CSCC#N ZINC001590175436 1283281397 /nfs/dbraw/zinc/28/13/97/1283281397.db2.gz QITZNHDHRYXNSL-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CSCC#N ZINC001590180481 1283285946 /nfs/dbraw/zinc/28/59/46/1283285946.db2.gz UOJYIEGJBWJITM-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CSCC#N ZINC001590180481 1283285954 /nfs/dbraw/zinc/28/59/54/1283285954.db2.gz UOJYIEGJBWJITM-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CSCC#N ZINC001590212462 1283344060 /nfs/dbraw/zinc/34/40/60/1283344060.db2.gz QLCPASWQEZHUCZ-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CSCC#N ZINC001590212462 1283344072 /nfs/dbraw/zinc/34/40/72/1283344072.db2.gz QLCPASWQEZHUCZ-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590256513 1283379660 /nfs/dbraw/zinc/37/96/60/1283379660.db2.gz FXXVKMDLYVYYLX-OCCSQVGLSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590281895 1283408639 /nfs/dbraw/zinc/40/86/39/1283408639.db2.gz HFUCUXKPKWQUMJ-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590281895 1283408643 /nfs/dbraw/zinc/40/86/43/1283408643.db2.gz HFUCUXKPKWQUMJ-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCc2ccccc2N1C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001590282567 1283409839 /nfs/dbraw/zinc/40/98/39/1283409839.db2.gz QFYGBGMVXDRPEB-JTQLQIEISA-N -1 1 363.385 0.885 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590284285 1283410774 /nfs/dbraw/zinc/41/07/74/1283410774.db2.gz QZSRQNXWYLWJGU-WCQYABFASA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590284285 1283410779 /nfs/dbraw/zinc/41/07/79/1283410779.db2.gz QZSRQNXWYLWJGU-WCQYABFASA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590284698 1283412776 /nfs/dbraw/zinc/41/27/76/1283412776.db2.gz STNQISDLKUGVDR-NWDGAFQWSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590284698 1283412781 /nfs/dbraw/zinc/41/27/81/1283412781.db2.gz STNQISDLKUGVDR-NWDGAFQWSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590291255 1283421497 /nfs/dbraw/zinc/42/14/97/1283421497.db2.gz BFUHUFQUUNQAIL-KOLCDFICSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590291255 1283421501 /nfs/dbraw/zinc/42/15/01/1283421501.db2.gz BFUHUFQUUNQAIL-KOLCDFICSA-N -1 1 359.419 0.172 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nnn[n-]1 ZINC001604495554 1287649194 /nfs/dbraw/zinc/64/91/94/1287649194.db2.gz DXZZEPLVKPHLNB-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1nccnc1-c1nn[n-]n1 ZINC001604495554 1287649200 /nfs/dbraw/zinc/64/92/00/1287649200.db2.gz DXZZEPLVKPHLNB-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CC)[C@H](C)CNC(=O)C#CC2CC2)n1 ZINC001604543603 1287654266 /nfs/dbraw/zinc/65/42/66/1287654266.db2.gz JARAJOCHYVYKCK-GFCCVEGCSA-N -1 1 368.445 0.964 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CC)[C@H](C)CNC(=O)C#CC2CC2)n1 ZINC001604543603 1287654271 /nfs/dbraw/zinc/65/42/71/1287654271.db2.gz JARAJOCHYVYKCK-GFCCVEGCSA-N -1 1 368.445 0.964 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590665730 1283711738 /nfs/dbraw/zinc/71/17/38/1283711738.db2.gz GWSVZBYJVCWLFT-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CCN(C(=O)C#CC(C)C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590665730 1283711748 /nfs/dbraw/zinc/71/17/48/1283711748.db2.gz GWSVZBYJVCWLFT-CYBMUJFWSA-N -1 1 354.418 0.743 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590862594 1283935655 /nfs/dbraw/zinc/93/56/55/1283935655.db2.gz OEEPTQRDRYHXSX-GXTWGEPZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590862594 1283935660 /nfs/dbraw/zinc/93/56/60/1283935660.db2.gz OEEPTQRDRYHXSX-GXTWGEPZSA-N -1 1 354.418 0.790 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001590903713 1283953290 /nfs/dbraw/zinc/95/32/90/1283953290.db2.gz JRKPKEPMXAPEPC-LBPRGKRZSA-N -1 1 356.434 0.819 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H](C)NC(=O)C#CC(C)C)n1 ZINC001590903713 1283953293 /nfs/dbraw/zinc/95/32/93/1283953293.db2.gz JRKPKEPMXAPEPC-LBPRGKRZSA-N -1 1 356.434 0.819 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001590923633 1283973951 /nfs/dbraw/zinc/97/39/51/1283973951.db2.gz HYZXRYYMNAXOIG-LBPRGKRZSA-N -1 1 354.418 0.891 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001590923633 1283973964 /nfs/dbraw/zinc/97/39/64/1283973964.db2.gz HYZXRYYMNAXOIG-LBPRGKRZSA-N -1 1 354.418 0.891 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)cc2Cl)c1=O ZINC001590949314 1283998105 /nfs/dbraw/zinc/99/81/05/1283998105.db2.gz COSBJENDWWAGTG-UHFFFAOYSA-N -1 1 357.761 0.783 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001590971680 1284030737 /nfs/dbraw/zinc/03/07/37/1284030737.db2.gz BXQIPJAICFKLSO-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001590971680 1284030745 /nfs/dbraw/zinc/03/07/45/1284030745.db2.gz BXQIPJAICFKLSO-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590984598 1284039034 /nfs/dbraw/zinc/03/90/34/1284039034.db2.gz XPSXEKMDVRFCKD-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001591059082 1284120335 /nfs/dbraw/zinc/12/03/35/1284120335.db2.gz CSRJVWVHJITSPT-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001591059082 1284120340 /nfs/dbraw/zinc/12/03/40/1284120340.db2.gz CSRJVWVHJITSPT-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001591073995 1284139488 /nfs/dbraw/zinc/13/94/88/1284139488.db2.gz KGMOZJLVGZSMLI-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001591073995 1284139497 /nfs/dbraw/zinc/13/94/97/1284139497.db2.gz KGMOZJLVGZSMLI-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001591158312 1284231151 /nfs/dbraw/zinc/23/11/51/1284231151.db2.gz SDLYJLUODXLHOH-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)c1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)n(C)c1C ZINC001591287763 1284446450 /nfs/dbraw/zinc/44/64/50/1284446450.db2.gz GVGQDYZKGJINSD-UHFFFAOYSA-N -1 1 369.385 0.961 20 30 FCEDMM COCC[C@](C)(C#N)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001591397402 1284537967 /nfs/dbraw/zinc/53/79/67/1284537967.db2.gz CNFKZXRKWJAAAY-QGZVFWFLSA-N -1 1 373.417 0.952 20 30 FCEDMM CN(CC(C)(C)C#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001604712943 1287749848 /nfs/dbraw/zinc/74/98/48/1287749848.db2.gz QNJZHZMGNCASCN-UHFFFAOYSA-N -1 1 365.375 0.945 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882360 1284970337 /nfs/dbraw/zinc/97/03/37/1284970337.db2.gz GGISIMJNKKKUEU-AWEZNQCLSA-N -1 1 366.429 0.806 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591882360 1284970342 /nfs/dbraw/zinc/97/03/42/1284970342.db2.gz GGISIMJNKKKUEU-AWEZNQCLSA-N -1 1 366.429 0.806 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)n1 ZINC001591888156 1284977144 /nfs/dbraw/zinc/97/71/44/1284977144.db2.gz FCTYFQVWUSHMCD-BXUZGUMPSA-N -1 1 366.429 0.567 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)n1 ZINC001591888156 1284977152 /nfs/dbraw/zinc/97/71/52/1284977152.db2.gz FCTYFQVWUSHMCD-BXUZGUMPSA-N -1 1 366.429 0.567 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)n1 ZINC001591891555 1284979608 /nfs/dbraw/zinc/97/96/08/1284979608.db2.gz KTEOVWIEZRNLDP-NFAWXSAZSA-N -1 1 364.413 0.604 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)n1 ZINC001591891555 1284979613 /nfs/dbraw/zinc/97/96/13/1284979613.db2.gz KTEOVWIEZRNLDP-NFAWXSAZSA-N -1 1 364.413 0.604 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001604732873 1287761123 /nfs/dbraw/zinc/76/11/23/1287761123.db2.gz ZEWLMMUFJCEQBO-ZDUSSCGKSA-N -1 1 352.402 0.355 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001604732873 1287761128 /nfs/dbraw/zinc/76/11/28/1287761128.db2.gz ZEWLMMUFJCEQBO-ZDUSSCGKSA-N -1 1 352.402 0.355 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCOc1cccc(C)c1 ZINC001592237840 1285193782 /nfs/dbraw/zinc/19/37/82/1285193782.db2.gz BTEKWTDDJBQMBF-UHFFFAOYSA-N -1 1 366.385 0.747 20 30 FCEDMM Cc1nsc(N2CCN(c3ccc(C#N)nn3)CC2)c1-c1nn[n-]n1 ZINC001592475973 1285414647 /nfs/dbraw/zinc/41/46/47/1285414647.db2.gz RVOOGOSTSXFAJS-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(NCCCOCCNC(=O)[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC001592492844 1285423296 /nfs/dbraw/zinc/42/32/96/1285423296.db2.gz OAJVFQMGLOFANH-VIFPVBQESA-N -1 1 364.435 0.726 20 30 FCEDMM Cc1oc(NC(=O)COC(=O)CSCC#N)c(-c2nn[n-]n2)c1C ZINC001592510962 1285436223 /nfs/dbraw/zinc/43/62/23/1285436223.db2.gz DWXYLPJSAZRZHN-UHFFFAOYSA-N -1 1 350.360 0.815 20 30 FCEDMM Cn1cc([C@@H]2C[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cn1 ZINC001592568889 1285483357 /nfs/dbraw/zinc/48/33/57/1285483357.db2.gz CDOUWUFOCLKEHL-JQWIXIFHSA-N -1 1 352.362 0.594 20 30 FCEDMM N#C[C@@]1(C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001592670129 1285566143 /nfs/dbraw/zinc/56/61/43/1285566143.db2.gz XVIMIXGUIYQTDP-INIZCTEOSA-N -1 1 373.442 0.897 20 30 FCEDMM N#CCCN(CCC#N)C(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC001592676871 1285570390 /nfs/dbraw/zinc/57/03/90/1285570390.db2.gz FBTXBLWEJVLFIY-UHFFFAOYSA-N -1 1 359.371 0.741 20 30 FCEDMM N#CCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001592678226 1285573324 /nfs/dbraw/zinc/57/33/24/1285573324.db2.gz QBAWQWFBLVZXID-UHFFFAOYSA-N -1 1 357.378 0.477 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001592679386 1285576357 /nfs/dbraw/zinc/57/63/57/1285576357.db2.gz PCHWYUATIOCIIO-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001592679386 1285576361 /nfs/dbraw/zinc/57/63/61/1285576361.db2.gz PCHWYUATIOCIIO-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592679473 1285577365 /nfs/dbraw/zinc/57/73/65/1285577365.db2.gz RJRVEHZORKSUBA-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592679473 1285577370 /nfs/dbraw/zinc/57/73/70/1285577370.db2.gz RJRVEHZORKSUBA-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001592688004 1285583678 /nfs/dbraw/zinc/58/36/78/1285583678.db2.gz RPVQXYSWRWJWAK-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001592688004 1285583681 /nfs/dbraw/zinc/58/36/81/1285583681.db2.gz RPVQXYSWRWJWAK-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001592684123 1285584300 /nfs/dbraw/zinc/58/43/00/1285584300.db2.gz OOMSUIFVRLXWMP-UHFFFAOYSA-N -1 1 365.313 0.432 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC001592684191 1285584605 /nfs/dbraw/zinc/58/46/05/1285584605.db2.gz SBYLNPDVVBKESW-UHFFFAOYSA-N -1 1 367.329 0.275 20 30 FCEDMM N#Cc1cc(F)ccc1N1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592689483 1285585128 /nfs/dbraw/zinc/58/51/28/1285585128.db2.gz GQLCQSDKVKKPTM-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1ccc(CSCC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592694491 1285585593 /nfs/dbraw/zinc/58/55/93/1285585593.db2.gz WHPYQQBCUJCFLD-UHFFFAOYSA-N -1 1 369.414 0.379 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)o1 ZINC001592690878 1285586046 /nfs/dbraw/zinc/58/60/46/1285586046.db2.gz LTDABZPYHNPBSO-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)o1 ZINC001592690878 1285586053 /nfs/dbraw/zinc/58/60/53/1285586053.db2.gz LTDABZPYHNPBSO-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592689408 1285586421 /nfs/dbraw/zinc/58/64/21/1285586421.db2.gz BDJHWAAHBZAZLC-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592689408 1285586427 /nfs/dbraw/zinc/58/64/27/1285586427.db2.gz BDJHWAAHBZAZLC-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1nc(C2CC2)oc1N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592706211 1285593923 /nfs/dbraw/zinc/59/39/23/1285593923.db2.gz OMKNRLMNLRXLPQ-UHFFFAOYSA-N -1 1 364.373 0.720 20 30 FCEDMM N#Cc1ncc(N2CCN(Cc3cscn3)CC2)nc1-c1nn[n-]n1 ZINC001592708472 1285594532 /nfs/dbraw/zinc/59/45/32/1285594532.db2.gz SVBUCGXWKUAVAO-UHFFFAOYSA-N -1 1 354.403 0.307 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592766884 1285689012 /nfs/dbraw/zinc/68/90/12/1285689012.db2.gz VFTNVKNDKSXXHA-DZGCQCFKSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592766884 1285689015 /nfs/dbraw/zinc/68/90/15/1285689015.db2.gz VFTNVKNDKSXXHA-DZGCQCFKSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001592767715 1285691026 /nfs/dbraw/zinc/69/10/26/1285691026.db2.gz IQRUGDKFHCXQTG-DYEKYZERSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001592767715 1285691028 /nfs/dbraw/zinc/69/10/28/1285691028.db2.gz IQRUGDKFHCXQTG-DYEKYZERSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592768307 1285691972 /nfs/dbraw/zinc/69/19/72/1285691972.db2.gz HICBVUNZUFEGDE-UHFFFAOYSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592768307 1285691986 /nfs/dbraw/zinc/69/19/86/1285691986.db2.gz HICBVUNZUFEGDE-UHFFFAOYSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768294 1285693641 /nfs/dbraw/zinc/69/36/41/1285693641.db2.gz HADSDGUJCPBVDO-QWHCGFSZSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768294 1285693643 /nfs/dbraw/zinc/69/36/43/1285693643.db2.gz HADSDGUJCPBVDO-QWHCGFSZSA-N -1 1 352.402 0.909 20 30 FCEDMM COC(=O)c1sccc1NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001609306991 1289078686 /nfs/dbraw/zinc/07/86/86/1289078686.db2.gz KVJQRZJHJHOUFG-UHFFFAOYSA-N -1 1 358.343 0.422 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001602687232 1287056839 /nfs/dbraw/zinc/05/68/39/1287056839.db2.gz ATAXGGQRSMMTLX-CHWSQXEVSA-N -1 1 369.433 0.679 20 30 FCEDMM C#C[C@H](CCC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001602687232 1287056853 /nfs/dbraw/zinc/05/68/53/1287056853.db2.gz ATAXGGQRSMMTLX-CHWSQXEVSA-N -1 1 369.433 0.679 20 30 FCEDMM C#C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001602688985 1287057310 /nfs/dbraw/zinc/05/73/10/1287057310.db2.gz AILQBICSGKYNMY-SSDOTTSWSA-N -1 1 356.205 0.929 20 30 FCEDMM C#C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001602688985 1287057325 /nfs/dbraw/zinc/05/73/25/1287057325.db2.gz AILQBICSGKYNMY-SSDOTTSWSA-N -1 1 356.205 0.929 20 30 FCEDMM C#CCCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001602702121 1287065885 /nfs/dbraw/zinc/06/58/85/1287065885.db2.gz ADYOZOKLMJDUBO-UHFFFAOYSA-N -1 1 354.418 0.723 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001602726025 1287087651 /nfs/dbraw/zinc/08/76/51/1287087651.db2.gz BSBLQTNTTXVWNA-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCOCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001602726025 1287087662 /nfs/dbraw/zinc/08/76/62/1287087662.db2.gz BSBLQTNTTXVWNA-CYBMUJFWSA-N -1 1 372.433 0.639 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001602726798 1287088339 /nfs/dbraw/zinc/08/83/39/1287088339.db2.gz TVOSOCNZTZNKSR-DGCLKSJQSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001602726798 1287088352 /nfs/dbraw/zinc/08/83/52/1287088352.db2.gz TVOSOCNZTZNKSR-DGCLKSJQSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602727824 1287093332 /nfs/dbraw/zinc/09/33/32/1287093332.db2.gz TYSCXZQYNXKBAY-GHMZBOCLSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602727824 1287093335 /nfs/dbraw/zinc/09/33/35/1287093335.db2.gz TYSCXZQYNXKBAY-GHMZBOCLSA-N -1 1 358.406 0.174 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001602737503 1287098879 /nfs/dbraw/zinc/09/88/79/1287098879.db2.gz SWANLIANBKWZEG-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001602737503 1287098886 /nfs/dbraw/zinc/09/88/86/1287098886.db2.gz SWANLIANBKWZEG-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001602737504 1287099575 /nfs/dbraw/zinc/09/95/75/1287099575.db2.gz SWANLIANBKWZEG-NSHDSACASA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001602737504 1287099585 /nfs/dbraw/zinc/09/95/85/1287099585.db2.gz SWANLIANBKWZEG-NSHDSACASA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1ccc(C(=O)OCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)cn1 ZINC001602739395 1287101202 /nfs/dbraw/zinc/10/12/02/1287101202.db2.gz IAOMHEZHKJJXAN-UHFFFAOYSA-N -1 1 362.309 0.348 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602759733 1287106973 /nfs/dbraw/zinc/10/69/73/1287106973.db2.gz PVIAHZGDVZVWOI-QGZVFWFLSA-N -1 1 372.433 0.379 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602759733 1287106981 /nfs/dbraw/zinc/10/69/81/1287106981.db2.gz PVIAHZGDVZVWOI-QGZVFWFLSA-N -1 1 372.433 0.379 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001602759646 1287107664 /nfs/dbraw/zinc/10/76/64/1287107664.db2.gz MUDSAAMHUCPMOJ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001602759646 1287107668 /nfs/dbraw/zinc/10/76/68/1287107668.db2.gz MUDSAAMHUCPMOJ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602775052 1287111003 /nfs/dbraw/zinc/11/10/03/1287111003.db2.gz DUZKBDCNLWFQQD-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602775052 1287111006 /nfs/dbraw/zinc/11/10/06/1287111006.db2.gz DUZKBDCNLWFQQD-GFCCVEGCSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602792315 1287116875 /nfs/dbraw/zinc/11/68/75/1287116875.db2.gz FGZNTRRHWVCOCQ-KRWDZBQOSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602792315 1287116878 /nfs/dbraw/zinc/11/68/78/1287116878.db2.gz FGZNTRRHWVCOCQ-KRWDZBQOSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602792918 1287117340 /nfs/dbraw/zinc/11/73/40/1287117340.db2.gz IZFOPWXKCYMGMM-GLKRBJQHSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602792918 1287117347 /nfs/dbraw/zinc/11/73/47/1287117347.db2.gz IZFOPWXKCYMGMM-GLKRBJQHSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602793383 1287118949 /nfs/dbraw/zinc/11/89/49/1287118949.db2.gz AIPWDHMPEPRJQD-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602793383 1287118961 /nfs/dbraw/zinc/11/89/61/1287118961.db2.gz AIPWDHMPEPRJQD-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602793324 1287119323 /nfs/dbraw/zinc/11/93/23/1287119323.db2.gz LVWFUXHQQCPAOX-DIFFPNOSSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602793324 1287119329 /nfs/dbraw/zinc/11/93/29/1287119329.db2.gz LVWFUXHQQCPAOX-DIFFPNOSSA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602795449 1287119967 /nfs/dbraw/zinc/11/99/67/1287119967.db2.gz SJKKJNGPFUKBSY-PRDDCLIZSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602795449 1287119971 /nfs/dbraw/zinc/11/99/71/1287119971.db2.gz SJKKJNGPFUKBSY-PRDDCLIZSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602795668 1287120205 /nfs/dbraw/zinc/12/02/05/1287120205.db2.gz VDFFMKWWENWHDD-PSTGCABASA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602795668 1287120209 /nfs/dbraw/zinc/12/02/09/1287120209.db2.gz VDFFMKWWENWHDD-PSTGCABASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OCC ZINC001602816319 1287124192 /nfs/dbraw/zinc/12/41/92/1287124192.db2.gz MNCZVLFYOBJJBA-LLVKDONJSA-N -1 1 369.378 0.792 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001602818014 1287125154 /nfs/dbraw/zinc/12/51/54/1287125154.db2.gz XYNBSGVMPMGPLS-LBPRGKRZSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001602818014 1287125159 /nfs/dbraw/zinc/12/51/59/1287125159.db2.gz XYNBSGVMPMGPLS-LBPRGKRZSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001602826817 1287126481 /nfs/dbraw/zinc/12/64/81/1287126481.db2.gz MDUOBNRASANLMG-LLVKDONJSA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001602825260 1287126695 /nfs/dbraw/zinc/12/66/95/1287126695.db2.gz VWRZUXBAZVAREG-QWHCGFSZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001602831638 1287128553 /nfs/dbraw/zinc/12/85/53/1287128553.db2.gz DHENMLHQJIGPKS-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001602831638 1287128557 /nfs/dbraw/zinc/12/85/57/1287128557.db2.gz DHENMLHQJIGPKS-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001602834240 1287128607 /nfs/dbraw/zinc/12/86/07/1287128607.db2.gz MAPCEPAHSXSAMG-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCCCCNC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001602834403 1287128702 /nfs/dbraw/zinc/12/87/02/1287128702.db2.gz RVFDGSVKLYSWJY-UHFFFAOYSA-N -1 1 361.406 0.772 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001602844179 1287131880 /nfs/dbraw/zinc/13/18/80/1287131880.db2.gz LGMYKYBRJUCGJV-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001602844179 1287131887 /nfs/dbraw/zinc/13/18/87/1287131887.db2.gz LGMYKYBRJUCGJV-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001602843972 1287132700 /nfs/dbraw/zinc/13/27/00/1287132700.db2.gz DMPVAQRSSGJXBM-CYBMUJFWSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001602843972 1287132706 /nfs/dbraw/zinc/13/27/06/1287132706.db2.gz DMPVAQRSSGJXBM-CYBMUJFWSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602844257 1287133915 /nfs/dbraw/zinc/13/39/15/1287133915.db2.gz NCEPXLIOHBUSCT-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602844257 1287133920 /nfs/dbraw/zinc/13/39/20/1287133920.db2.gz NCEPXLIOHBUSCT-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001602866997 1287140231 /nfs/dbraw/zinc/14/02/31/1287140231.db2.gz RQQAHFDIWFPEGO-INIZCTEOSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001602866997 1287140236 /nfs/dbraw/zinc/14/02/36/1287140236.db2.gz RQQAHFDIWFPEGO-INIZCTEOSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602867883 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IPRAXQGPBFPARN-BDJLRTHQSA-N -1 1 360.422 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001573309413 947198857 /nfs/dbraw/zinc/19/88/57/947198857.db2.gz IPRAXQGPBFPARN-BDJLRTHQSA-N -1 1 360.422 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573309473 947200811 /nfs/dbraw/zinc/20/08/11/947200811.db2.gz JHDOCIWJZPWUOH-PSTGCABASA-N -1 1 372.433 0.245 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573309789 947209668 /nfs/dbraw/zinc/20/96/68/947209668.db2.gz OKKFWOCPEDVLKM-GRRKEVBASA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573309789 947209678 /nfs/dbraw/zinc/20/96/78/947209678.db2.gz OKKFWOCPEDVLKM-GRRKEVBASA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309956 947212326 /nfs/dbraw/zinc/21/23/26/947212326.db2.gz QGPXVRQYRBUISJ-BWACUDIHSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573309956 947212337 /nfs/dbraw/zinc/21/23/37/947212337.db2.gz QGPXVRQYRBUISJ-BWACUDIHSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573309899 947212649 /nfs/dbraw/zinc/21/26/49/947212649.db2.gz PMRCTJYKJMFBOV-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573309899 947212658 /nfs/dbraw/zinc/21/26/58/947212658.db2.gz PMRCTJYKJMFBOV-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573309897 947213078 /nfs/dbraw/zinc/21/30/78/947213078.db2.gz PMRCTJYKJMFBOV-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573309897 947213085 /nfs/dbraw/zinc/21/30/85/947213085.db2.gz PMRCTJYKJMFBOV-SJKOYZFVSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573309938 947213209 /nfs/dbraw/zinc/21/32/09/947213209.db2.gz QEKYKOGBBIABGA-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573309938 947213215 /nfs/dbraw/zinc/21/32/15/947213215.db2.gz QEKYKOGBBIABGA-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573314921 947240076 /nfs/dbraw/zinc/24/00/76/947240076.db2.gz HWILWJVPTIKHRT-RYUDHWBXSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573314921 947240087 /nfs/dbraw/zinc/24/00/87/947240087.db2.gz HWILWJVPTIKHRT-RYUDHWBXSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001602712116 971353455 /nfs/dbraw/zinc/35/34/55/971353455.db2.gz GYIMDAHXPXCMJP-VHSXEESVSA-N -1 1 351.325 0.227 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573586556 947287314 /nfs/dbraw/zinc/28/73/14/947287314.db2.gz QRRYVKYNHAAXRB-IJLUTSLNSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573586556 947287322 /nfs/dbraw/zinc/28/73/22/947287322.db2.gz QRRYVKYNHAAXRB-IJLUTSLNSA-N -1 1 355.406 0.903 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573335590 947481989 /nfs/dbraw/zinc/48/19/89/947481989.db2.gz AWUWVUVPVJMPAL-CHWSQXEVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573335834 947489439 /nfs/dbraw/zinc/48/94/39/947489439.db2.gz FDFSOFWRHIAQPA-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573335834 947489446 /nfs/dbraw/zinc/48/94/46/947489446.db2.gz FDFSOFWRHIAQPA-PXAZEXFGSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573336014 947495846 /nfs/dbraw/zinc/49/58/46/947495846.db2.gz HCAKPHVHLUUQQU-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573336014 947495854 /nfs/dbraw/zinc/49/58/54/947495854.db2.gz HCAKPHVHLUUQQU-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573337103 947513471 /nfs/dbraw/zinc/51/34/71/947513471.db2.gz UNFOFWBCSQAHLM-UHFFFAOYSA-N -1 1 372.433 0.512 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573337326 947515632 /nfs/dbraw/zinc/51/56/32/947515632.db2.gz VUXPKRATZCUIKK-MBNYWOFBSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573337326 947515640 /nfs/dbraw/zinc/51/56/40/947515640.db2.gz VUXPKRATZCUIKK-MBNYWOFBSA-N -1 1 372.433 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573337636 947522257 /nfs/dbraw/zinc/52/22/57/947522257.db2.gz ZPAFTNSFJRSSSC-RYUDHWBXSA-N -1 1 360.422 0.897 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573337636 947522265 /nfs/dbraw/zinc/52/22/65/947522265.db2.gz ZPAFTNSFJRSSSC-RYUDHWBXSA-N -1 1 360.422 0.897 20 30 FCEDMM C=CCCn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)nn1 ZINC001573341284 947527648 /nfs/dbraw/zinc/52/76/48/947527648.db2.gz KLXZJPRPYJJRBC-UHFFFAOYSA-N -1 1 366.432 0.574 20 30 FCEDMM C=CCCn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)nn1 ZINC001573341284 947527651 /nfs/dbraw/zinc/52/76/51/947527651.db2.gz KLXZJPRPYJJRBC-UHFFFAOYSA-N -1 1 366.432 0.574 20 30 FCEDMM C=CCOCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573342856 947547415 /nfs/dbraw/zinc/54/74/15/947547415.db2.gz FRUBVBKGKPXKEV-CYBMUJFWSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573342856 947547432 /nfs/dbraw/zinc/54/74/32/947547432.db2.gz FRUBVBKGKPXKEV-CYBMUJFWSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573343838 947565118 /nfs/dbraw/zinc/56/51/18/947565118.db2.gz TUFWPGOYUPPVOJ-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573344218 947569414 /nfs/dbraw/zinc/56/94/14/947569414.db2.gz ZNNSMCQWTADBMX-NWDGAFQWSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573344218 947569422 /nfs/dbraw/zinc/56/94/22/947569422.db2.gz ZNNSMCQWTADBMX-NWDGAFQWSA-N -1 1 358.406 0.699 20 30 FCEDMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1C#N ZINC000826197444 947596050 /nfs/dbraw/zinc/59/60/50/947596050.db2.gz PDJJVTTYNPQPHJ-UHFFFAOYSA-N -1 1 353.342 0.902 20 30 FCEDMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1C#N ZINC000826197444 947596058 /nfs/dbraw/zinc/59/60/58/947596058.db2.gz PDJJVTTYNPQPHJ-UHFFFAOYSA-N -1 1 353.342 0.902 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573351078 947607691 /nfs/dbraw/zinc/60/76/91/947607691.db2.gz JPXGQQKAOGKXAM-UPJWGTAASA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573351078 947607700 /nfs/dbraw/zinc/60/77/00/947607700.db2.gz JPXGQQKAOGKXAM-UPJWGTAASA-N -1 1 370.417 0.333 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000826383274 948181417 /nfs/dbraw/zinc/18/14/17/948181417.db2.gz SDFIBPZONLRSIN-UHFFFAOYSA-N -1 1 357.265 0.621 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@H]1CN(c2ccccc2)CCO1 ZINC001570954632 949817733 /nfs/dbraw/zinc/81/77/33/949817733.db2.gz KIXYRHYVOVTROO-GFCCVEGCSA-N -1 1 351.374 0.422 20 30 FCEDMM Cc1noc(C[C@@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)n1 ZINC001570956436 949848797 /nfs/dbraw/zinc/84/87/97/949848797.db2.gz GEKHQTRTYZHXDA-JTQLQIEISA-N -1 1 352.362 0.679 20 30 FCEDMM N#Cc1ncc(NCC[S@@](=O)Cc2ccccc2)nc1-c1nn[n-]n1 ZINC001570967686 950219780 /nfs/dbraw/zinc/21/97/80/950219780.db2.gz OCSIHWYNWOBOOI-RUZDIDTESA-N -1 1 354.399 0.889 20 30 FCEDMM CC(C)(C)NC(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001573851144 950289753 /nfs/dbraw/zinc/28/97/53/950289753.db2.gz SOCPRWTZNKFSJV-UHFFFAOYSA-N -1 1 356.394 0.158 20 30 FCEDMM CC(C)(C)OC(=O)N1CC[C@@H]1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001573853677 950327207 /nfs/dbraw/zinc/32/72/07/950327207.db2.gz SMMGSRVBPLZXIK-SECBINFHSA-N -1 1 357.378 0.950 20 30 FCEDMM CC(C)(C)OC(=O)N1CC[C@@H]1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001573853677 950327227 /nfs/dbraw/zinc/32/72/27/950327227.db2.gz SMMGSRVBPLZXIK-SECBINFHSA-N -1 1 357.378 0.950 20 30 FCEDMM CC(C)(C)OC(=O)N1CC2(C1)CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001573853701 950333100 /nfs/dbraw/zinc/33/31/00/950333100.db2.gz SWKOLHHYPKWFLO-UHFFFAOYSA-N -1 1 369.389 0.585 20 30 FCEDMM CC(C)(C)OC(=O)N1CC2(C1)CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001573853701 950333119 /nfs/dbraw/zinc/33/31/19/950333119.db2.gz SWKOLHHYPKWFLO-UHFFFAOYSA-N -1 1 369.389 0.585 20 30 FCEDMM C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574747134 950403809 /nfs/dbraw/zinc/40/38/09/950403809.db2.gz RFXIDGIYHBUSPP-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574747134 950403826 /nfs/dbraw/zinc/40/38/26/950403826.db2.gz RFXIDGIYHBUSPP-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CO1 ZINC001573857706 950408928 /nfs/dbraw/zinc/40/89/28/950408928.db2.gz XKJLKDCZKYEMQX-MRVPVSSYSA-N -1 1 359.350 0.491 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CO1 ZINC001573857706 950408938 /nfs/dbraw/zinc/40/89/38/950408938.db2.gz XKJLKDCZKYEMQX-MRVPVSSYSA-N -1 1 359.350 0.491 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H]2C[C@H]21 ZINC001573857726 950411768 /nfs/dbraw/zinc/41/17/68/950411768.db2.gz XZBKRDGWMZVVKS-WDEREUQCSA-N -1 1 369.389 0.726 20 30 FCEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574995670 950513777 /nfs/dbraw/zinc/51/37/77/950513777.db2.gz GIKUGRYKJBYYEB-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574995670 950513795 /nfs/dbraw/zinc/51/37/95/950513795.db2.gz GIKUGRYKJBYYEB-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM N#Cc1ncc(N2CCC(OC[C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001570979340 950525495 /nfs/dbraw/zinc/52/54/95/950525495.db2.gz CPCINSHHNNKPAM-GFCCVEGCSA-N -1 1 356.390 0.693 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575926681 950717128 /nfs/dbraw/zinc/71/71/28/950717128.db2.gz KZZYWUDTMYUZKF-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575926681 950717146 /nfs/dbraw/zinc/71/71/46/950717146.db2.gz KZZYWUDTMYUZKF-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001571008660 951202287 /nfs/dbraw/zinc/20/22/87/951202287.db2.gz DWUHTUCTNMIXOZ-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001571008660 951202294 /nfs/dbraw/zinc/20/22/94/951202294.db2.gz DWUHTUCTNMIXOZ-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571008855 951203298 /nfs/dbraw/zinc/20/32/98/951203298.db2.gz HULAUGNWJIUTSA-XYPYZODXSA-N -1 1 364.373 0.538 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001571008855 951203309 /nfs/dbraw/zinc/20/33/09/951203309.db2.gz HULAUGNWJIUTSA-XYPYZODXSA-N -1 1 364.373 0.538 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009961 951214147 /nfs/dbraw/zinc/21/41/47/951214147.db2.gz OTEILNCJOYXJRY-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009961 951214156 /nfs/dbraw/zinc/21/41/56/951214156.db2.gz OTEILNCJOYXJRY-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009964 951214586 /nfs/dbraw/zinc/21/45/86/951214586.db2.gz OTEILNCJOYXJRY-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001571009964 951214597 /nfs/dbraw/zinc/21/45/97/951214597.db2.gz OTEILNCJOYXJRY-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571031393 951530906 /nfs/dbraw/zinc/53/09/06/951530906.db2.gz CUBIIJJRCQDRJR-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001571059346 951920018 /nfs/dbraw/zinc/92/00/18/951920018.db2.gz QWDJBZMXCXBRIH-VXGBXAGGSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001571059346 951920020 /nfs/dbraw/zinc/92/00/20/951920020.db2.gz QWDJBZMXCXBRIH-VXGBXAGGSA-N -1 1 369.433 0.806 20 30 FCEDMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575180162 952415421 /nfs/dbraw/zinc/41/54/21/952415421.db2.gz 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C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCC(CC#N)CC2)C1 ZINC001332018276 1266316475 /nfs/dbraw/zinc/31/64/75/1266316475.db2.gz FIDRQWJMRMUFMN-HNNXBMFYSA-N -1 1 374.363 0.808 20 30 FCEDMM Cn1c(=O)[n-]c(N2CCN(CCOc3ccccc3)CC2)c(C#N)c1=O ZINC001337702471 1260462810 /nfs/dbraw/zinc/46/28/10/1260462810.db2.gz KKFZNSDQDWULIN-UHFFFAOYSA-N -1 1 355.398 0.146 20 30 FCEDMM Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23CN(C(=O)Cc2nn[n-]n2)C3)c1 ZINC001272974949 1260546248 /nfs/dbraw/zinc/54/62/48/1260546248.db2.gz GPLVYQQFBBIKFL-LBPRGKRZSA-N -1 1 351.370 0.410 20 30 FCEDMM CSc1ncc(C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)c(=O)[n-]1 ZINC001279532060 1260885618 /nfs/dbraw/zinc/88/56/18/1260885618.db2.gz WYCQQBACZKOTMZ-BMLIUANNSA-N -1 1 373.438 0.929 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001580331237 1278130752 /nfs/dbraw/zinc/13/07/52/1278130752.db2.gz HWYBRYMOEVGAJT-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001580331237 1278130755 /nfs/dbraw/zinc/13/07/55/1278130755.db2.gz HWYBRYMOEVGAJT-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM N#Cc1cn(C2CN(C(=O)c3ccn(-c4ccncc4)n3)C2)c(=O)[n-]c1=O ZINC001305590764 1263168415 /nfs/dbraw/zinc/16/84/15/1263168415.db2.gz SCATWHKNOMMLCE-UHFFFAOYSA-N -1 1 363.337 0.098 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001580380947 1278196770 /nfs/dbraw/zinc/19/67/70/1278196770.db2.gz ZQIKURWGFFTWNR-SKDRFNHKSA-N -1 1 364.373 0.254 20 30 FCEDMM CC(=O)N1CCC(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)CC1 ZINC001320026986 1263756003 /nfs/dbraw/zinc/75/60/03/1263756003.db2.gz SIPSQFIGCLWOTB-SNVBAGLBSA-N -1 1 373.335 0.874 20 30 FCEDMM Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@@H](c4nn[n-]n4)C3)CC2)o1 ZINC001321205746 1263920405 /nfs/dbraw/zinc/92/04/05/1263920405.db2.gz SEJKZQDFAVUKAT-CYBMUJFWSA-N -1 1 372.389 0.184 20 30 FCEDMM N#Cc1cn(CC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(=O)[n-]c1=O ZINC001540424555 1267448342 /nfs/dbraw/zinc/44/83/42/1267448342.db2.gz BALZQBQOQGCUHX-CQSZACIVSA-N -1 1 371.397 0.757 20 30 FCEDMM CN(C)[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)c1ccc(F)cc1 ZINC001543271849 1267538052 /nfs/dbraw/zinc/53/80/52/1267538052.db2.gz CAWIDXZBMWXDGL-AWEZNQCLSA-N -1 1 359.361 0.379 20 30 FCEDMM Cc1c(C#N)c(=O)n(Cc2nc(-c3nnn[n-]3)cs2)c(=O)n1C1CC1 ZINC001580525805 1278448907 /nfs/dbraw/zinc/44/89/07/1278448907.db2.gz AWZUMKKJCXDZHE-UHFFFAOYSA-N -1 1 356.371 0.210 20 30 FCEDMM Cc1c(C#N)c(=O)n(Cc2nc(-c3nn[n-]n3)cs2)c(=O)n1C1CC1 ZINC001580525805 1278448911 /nfs/dbraw/zinc/44/89/11/1278448911.db2.gz AWZUMKKJCXDZHE-UHFFFAOYSA-N -1 1 356.371 0.210 20 30 FCEDMM Cc1c(Br)cc(-c2nn[n-]n2)c(=O)n1Cc1ncc(C#N)cn1 ZINC001580525812 1278449638 /nfs/dbraw/zinc/44/96/38/1278449638.db2.gz BMBPDKFFDJRPFH-UHFFFAOYSA-N -1 1 373.174 0.809 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573941987 1270948640 /nfs/dbraw/zinc/94/86/40/1270948640.db2.gz KKMBQYNQHCZREO-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573941987 1270948645 /nfs/dbraw/zinc/94/86/45/1270948645.db2.gz KKMBQYNQHCZREO-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573942508 1270949716 /nfs/dbraw/zinc/94/97/16/1270949716.db2.gz PPNYYCZUDQSRHU-KGLIPLIRSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574050775 1271035401 /nfs/dbraw/zinc/03/54/01/1271035401.db2.gz ZPOPPHPYVVQGJL-CYBMUJFWSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574050775 1271035406 /nfs/dbraw/zinc/03/54/06/1271035406.db2.gz ZPOPPHPYVVQGJL-CYBMUJFWSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574050776 1271036160 /nfs/dbraw/zinc/03/61/60/1271036160.db2.gz ZPOPPHPYVVQGJL-ZDUSSCGKSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574050776 1271036168 /nfs/dbraw/zinc/03/61/68/1271036168.db2.gz ZPOPPHPYVVQGJL-ZDUSSCGKSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)CNC(=O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001574210001 1271097055 /nfs/dbraw/zinc/09/70/55/1271097055.db2.gz OQWJWNOXIOCNOQ-UHFFFAOYSA-N -1 1 355.406 0.517 20 30 FCEDMM CC(C)CNC(=O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001574210001 1271097063 /nfs/dbraw/zinc/09/70/63/1271097063.db2.gz OQWJWNOXIOCNOQ-UHFFFAOYSA-N -1 1 355.406 0.517 20 30 FCEDMM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001574236423 1271111837 /nfs/dbraw/zinc/11/18/37/1271111837.db2.gz ASRZMIZPDIUMRO-VIFPVBQESA-N -1 1 373.421 0.977 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580651086 1278631729 /nfs/dbraw/zinc/63/17/29/1278631729.db2.gz WSFJUJPOTWLTKE-SKDRFNHKSA-N -1 1 355.406 0.456 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580651086 1278631740 /nfs/dbraw/zinc/63/17/40/1278631740.db2.gz WSFJUJPOTWLTKE-SKDRFNHKSA-N -1 1 355.406 0.456 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580661672 1278661301 /nfs/dbraw/zinc/66/13/01/1278661301.db2.gz DGACZLYXRFSPIX-ZYHUDNBSSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580661672 1278661314 /nfs/dbraw/zinc/66/13/14/1278661314.db2.gz DGACZLYXRFSPIX-ZYHUDNBSSA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@]1(C2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)COC(=O)N1 ZINC001575753016 1272416793 /nfs/dbraw/zinc/41/67/93/1272416793.db2.gz VSLWOWZHHQWSMN-OAHLLOKOSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@@]1(CNC(=O)C#CC2CC2)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575769904 1272427300 /nfs/dbraw/zinc/42/73/00/1272427300.db2.gz MHMPYOBCISPFJI-SFHVURJKSA-N -1 1 366.429 0.793 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685604 1278710600 /nfs/dbraw/zinc/71/06/00/1278710600.db2.gz UPRUDILACLKDGF-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685604 1278710615 /nfs/dbraw/zinc/71/06/15/1278710615.db2.gz UPRUDILACLKDGF-VHSXEESVSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575837074 1272505395 /nfs/dbraw/zinc/50/53/95/1272505395.db2.gz SSKOYAYIALKCRQ-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575837074 1272505402 /nfs/dbraw/zinc/50/54/02/1272505402.db2.gz SSKOYAYIALKCRQ-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068056 1272820825 /nfs/dbraw/zinc/82/08/25/1272820825.db2.gz DZWZTYYYORFULC-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068056 1272820843 /nfs/dbraw/zinc/82/08/43/1272820843.db2.gz DZWZTYYYORFULC-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580699806 1278748287 /nfs/dbraw/zinc/74/82/87/1278748287.db2.gz JATOMOAGJANKBB-SNVBAGLBSA-N -1 1 355.406 0.918 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580699806 1278748293 /nfs/dbraw/zinc/74/82/93/1278748293.db2.gz JATOMOAGJANKBB-SNVBAGLBSA-N -1 1 355.406 0.918 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576264402 1273056310 /nfs/dbraw/zinc/05/63/10/1273056310.db2.gz QBFUJWQIZXOOSL-WDEREUQCSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576264402 1273056319 /nfs/dbraw/zinc/05/63/19/1273056319.db2.gz QBFUJWQIZXOOSL-WDEREUQCSA-N -1 1 373.446 0.562 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2(CNC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001580701728 1278753864 /nfs/dbraw/zinc/75/38/64/1278753864.db2.gz UHVCATROSWXVSW-JTQLQIEISA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2(CNC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001580701728 1278753874 /nfs/dbraw/zinc/75/38/74/1278753874.db2.gz UHVCATROSWXVSW-JTQLQIEISA-N -1 1 371.405 0.202 20 30 FCEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576282546 1273089114 /nfs/dbraw/zinc/08/91/14/1273089114.db2.gz UEOCOWMILMBHAJ-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576282546 1273089121 /nfs/dbraw/zinc/08/91/21/1273089121.db2.gz UEOCOWMILMBHAJ-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576291223 1273103203 /nfs/dbraw/zinc/10/32/03/1273103203.db2.gz KHKDHXHUIPNPBG-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576291223 1273103207 /nfs/dbraw/zinc/10/32/07/1273103207.db2.gz KHKDHXHUIPNPBG-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN=C(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)S1 ZINC001576364030 1273186303 /nfs/dbraw/zinc/18/63/03/1273186303.db2.gz JNOKMODFQRDHQZ-SECBINFHSA-N -1 1 356.419 0.142 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580721504 1278799641 /nfs/dbraw/zinc/79/96/41/1278799641.db2.gz BWWAPADJWTVKCV-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580721504 1278799648 /nfs/dbraw/zinc/79/96/48/1278799648.db2.gz BWWAPADJWTVKCV-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001580722516 1278799698 /nfs/dbraw/zinc/79/96/98/1278799698.db2.gz HRKQDTODYZBUHO-TVQRCGJNSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C2CC2)N(C)C(=O)[C@@H](C)C#N)n1 ZINC001580722516 1278799709 /nfs/dbraw/zinc/79/97/09/1278799709.db2.gz HRKQDTODYZBUHO-TVQRCGJNSA-N -1 1 355.406 0.774 20 30 FCEDMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H](CC)CN1C(C)=O ZINC001577178240 1274229274 /nfs/dbraw/zinc/22/92/74/1274229274.db2.gz TUHLOTGTZFBTQF-NEPJUHHUSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H](CC)CN1C(C)=O ZINC001577178240 1274229280 /nfs/dbraw/zinc/22/92/80/1274229280.db2.gz TUHLOTGTZFBTQF-NEPJUHHUSA-N -1 1 355.406 0.754 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580742616 1278852495 /nfs/dbraw/zinc/85/24/95/1278852495.db2.gz ZOCYGIYHQFOTGO-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580742616 1278852500 /nfs/dbraw/zinc/85/25/00/1278852500.db2.gz ZOCYGIYHQFOTGO-VIFPVBQESA-N -1 1 366.389 0.785 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001577522733 1274468938 /nfs/dbraw/zinc/46/89/38/1274468938.db2.gz HYQNAQDEWNDFCN-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001577522733 1274468940 /nfs/dbraw/zinc/46/89/40/1274468940.db2.gz HYQNAQDEWNDFCN-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523396 1274470073 /nfs/dbraw/zinc/47/00/73/1274470073.db2.gz RWSFUOOIECCAMZ-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523396 1274470082 /nfs/dbraw/zinc/47/00/82/1274470082.db2.gz RWSFUOOIECCAMZ-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577629537 1274616711 /nfs/dbraw/zinc/61/67/11/1274616711.db2.gz SKXBUJUJANDVTJ-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577629537 1274616717 /nfs/dbraw/zinc/61/67/17/1274616717.db2.gz SKXBUJUJANDVTJ-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCOC(=O)[C@@]1(COC)CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001578243952 1275547030 /nfs/dbraw/zinc/54/70/30/1275547030.db2.gz FRBGWNRIHJCEOQ-INIZCTEOSA-N -1 1 372.389 0.324 20 30 FCEDMM CCS(=O)(=O)c1ccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001578415815 1275784857 /nfs/dbraw/zinc/78/48/57/1275784857.db2.gz KDUUYGJPQPKDHQ-UHFFFAOYSA-N -1 1 370.398 0.934 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578582662 1276015249 /nfs/dbraw/zinc/01/52/49/1276015249.db2.gz BAEIDIRDTLZZSG-RYUDHWBXSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578582662 1276015257 /nfs/dbraw/zinc/01/52/57/1276015257.db2.gz BAEIDIRDTLZZSG-RYUDHWBXSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578630478 1276077684 /nfs/dbraw/zinc/07/76/84/1276077684.db2.gz GCKHENWOACWDAX-JQWIXIFHSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@@H](C)C#N)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578630478 1276077690 /nfs/dbraw/zinc/07/76/90/1276077690.db2.gz GCKHENWOACWDAX-JQWIXIFHSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001578630479 1276078099 /nfs/dbraw/zinc/07/80/99/1276078099.db2.gz GCKHENWOACWDAX-PWSUYJOCSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001578630479 1276078109 /nfs/dbraw/zinc/07/81/09/1276078109.db2.gz GCKHENWOACWDAX-PWSUYJOCSA-N -1 1 357.422 0.931 20 30 FCEDMM CCc1nc(N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578673824 1276125191 /nfs/dbraw/zinc/12/51/91/1276125191.db2.gz LZGPBGRFYQRAPO-QWRGUYRKSA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(N[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578673824 1276125194 /nfs/dbraw/zinc/12/51/94/1276125194.db2.gz LZGPBGRFYQRAPO-QWRGUYRKSA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578900425 1276442234 /nfs/dbraw/zinc/44/22/34/1276442234.db2.gz DFDBTFPBLOKBEG-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578900425 1276442236 /nfs/dbraw/zinc/44/22/36/1276442236.db2.gz DFDBTFPBLOKBEG-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578955208 1276499766 /nfs/dbraw/zinc/49/97/66/1276499766.db2.gz GIMKLLXDCJPEAG-LBPRGKRZSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578955208 1276499769 /nfs/dbraw/zinc/49/97/69/1276499769.db2.gz GIMKLLXDCJPEAG-LBPRGKRZSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579283326 1277100954 /nfs/dbraw/zinc/10/09/54/1277100954.db2.gz AQSFQZYNXVUEGX-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579283326 1277100955 /nfs/dbraw/zinc/10/09/55/1277100955.db2.gz AQSFQZYNXVUEGX-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579295245 1277123869 /nfs/dbraw/zinc/12/38/69/1277123869.db2.gz SJRRKJFAHCMVSY-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579295245 1277123871 /nfs/dbraw/zinc/12/38/71/1277123871.db2.gz SJRRKJFAHCMVSY-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433672 1277301064 /nfs/dbraw/zinc/30/10/64/1277301064.db2.gz MIOCCDRZTRQDAO-NXEZZACHSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)Cc2ccccc21 ZINC001579446215 1277334771 /nfs/dbraw/zinc/33/47/71/1277334771.db2.gz IOQMANIMKALXEE-GFCCVEGCSA-N -1 1 362.353 0.805 20 30 FCEDMM COC(=O)[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)Cc2ccccc21 ZINC001579446215 1277334779 /nfs/dbraw/zinc/33/47/79/1277334779.db2.gz IOQMANIMKALXEE-GFCCVEGCSA-N -1 1 362.353 0.805 20 30 FCEDMM COC(=O)CN(CCc1ccccc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579449341 1277338414 /nfs/dbraw/zinc/33/84/14/1277338414.db2.gz WFYYHZGAJKQUKX-UHFFFAOYSA-N -1 1 364.369 0.750 20 30 FCEDMM COC(=O)N1CCC([C@@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001579453297 1277343710 /nfs/dbraw/zinc/34/37/10/1277343710.db2.gz QYFPRQMDZPDHJP-SECBINFHSA-N -1 1 357.378 0.807 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@H](n2cnc(C#N)c2-c2nn[n-]n2)C1=O ZINC001603085320 1287305229 /nfs/dbraw/zinc/30/52/29/1287305229.db2.gz QTHLDFXZERNBNL-JTQLQIEISA-N -1 1 358.362 0.050 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603087090 1287307409 /nfs/dbraw/zinc/30/74/09/1287307409.db2.gz HXDUISSESSJHLL-UHFFFAOYSA-N -1 1 371.357 0.932 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603087090 1287307412 /nfs/dbraw/zinc/30/74/12/1287307412.db2.gz HXDUISSESSJHLL-UHFFFAOYSA-N -1 1 371.357 0.932 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001603189535 1287326831 /nfs/dbraw/zinc/32/68/31/1287326831.db2.gz OEXGPXPZRMKSQC-LBPRGKRZSA-N -1 1 354.418 0.387 20 30 FCEDMM Cc1cc(CN2CCCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)no1 ZINC001580923352 1279132868 /nfs/dbraw/zinc/13/28/68/1279132868.db2.gz PTZNVIVYUJLKFK-UHFFFAOYSA-N -1 1 366.389 0.537 20 30 FCEDMM Cc1cc(CN2CCCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)no1 ZINC001580923352 1279132870 /nfs/dbraw/zinc/13/28/70/1279132870.db2.gz PTZNVIVYUJLKFK-UHFFFAOYSA-N -1 1 366.389 0.537 20 30 FCEDMM Cc1cc(F)c(C#N)cc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001580933019 1279145899 /nfs/dbraw/zinc/14/58/99/1279145899.db2.gz FBOOWPBVJUBYOR-UHFFFAOYSA-N -1 1 370.304 0.087 20 30 FCEDMM Cc1cc(N2CCC[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)n(C)n1 ZINC001580966445 1279169290 /nfs/dbraw/zinc/16/92/90/1279169290.db2.gz IYMDSKWGMGZLDO-LLVKDONJSA-N -1 1 365.405 0.651 20 30 FCEDMM Cc1ccc(C#N)cc1S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581138360 1279440204 /nfs/dbraw/zinc/44/02/04/1279440204.db2.gz WWIWBXHQZNDDPI-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1ccc(C#N)cc1S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581138360 1279440210 /nfs/dbraw/zinc/44/02/10/1279440210.db2.gz WWIWBXHQZNDDPI-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001603505603 1287394780 /nfs/dbraw/zinc/39/47/80/1287394780.db2.gz PSHDFJILPUCISA-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001603505603 1287394781 /nfs/dbraw/zinc/39/47/81/1287394781.db2.gz PSHDFJILPUCISA-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM Cc1noc(C2(C)CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)n1 ZINC001581632188 1280292966 /nfs/dbraw/zinc/29/29/66/1280292966.db2.gz CKUDZKUELGNHIQ-UHFFFAOYSA-N -1 1 352.362 0.778 20 30 FCEDMM Cc1noc(C2(C)CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)n1 ZINC001581632188 1280292971 /nfs/dbraw/zinc/29/29/71/1280292971.db2.gz CKUDZKUELGNHIQ-UHFFFAOYSA-N -1 1 352.362 0.778 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581858556 1280610829 /nfs/dbraw/zinc/61/08/29/1280610829.db2.gz LZMAROUSINFVRV-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581858556 1280610839 /nfs/dbraw/zinc/61/08/39/1280610839.db2.gz LZMAROUSINFVRV-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001581858774 1280611279 /nfs/dbraw/zinc/61/12/79/1280611279.db2.gz VLGMAGRUIDTDMV-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001581858774 1280611291 /nfs/dbraw/zinc/61/12/91/1280611291.db2.gz VLGMAGRUIDTDMV-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001581858558 1280611580 /nfs/dbraw/zinc/61/15/80/1280611580.db2.gz LZMAROUSINFVRV-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001581858558 1280611586 /nfs/dbraw/zinc/61/15/86/1280611586.db2.gz LZMAROUSINFVRV-QWRGUYRKSA-N -1 1 373.446 0.610 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)nc1-c1nn[nH]n1 ZINC001581860642 1280612679 /nfs/dbraw/zinc/61/26/79/1280612679.db2.gz LPAXJPXFIACPOK-JTQLQIEISA-N -1 1 363.341 0.665 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCN2Cc2ccccn2)nc1-c1nn[nH]n1 ZINC001581860256 1280613024 /nfs/dbraw/zinc/61/30/24/1280613024.db2.gz RSDZRUHLDVCNKS-LBPRGKRZSA-N -1 1 364.373 0.460 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccnc2N2CCCC2)nc1-c1nn[nH]n1 ZINC001581860729 1280613890 /nfs/dbraw/zinc/61/38/90/1280613890.db2.gz QFTMWXFKJKNFJV-UHFFFAOYSA-N -1 1 350.346 0.709 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C2([C@@H]3CCCCO3)CCOCC2)nc1-c1nn[nH]n1 ZINC001581860295 1280614793 /nfs/dbraw/zinc/61/47/93/1280614793.db2.gz UCUFCNPOILKVNJ-NSHDSACASA-N -1 1 372.389 0.766 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581864360 1280615765 /nfs/dbraw/zinc/61/57/65/1280615765.db2.gz SJUANFBNJHOJFX-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581864360 1280615770 /nfs/dbraw/zinc/61/57/70/1280615770.db2.gz SJUANFBNJHOJFX-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581866380 1280621387 /nfs/dbraw/zinc/62/13/87/1280621387.db2.gz ZIVVONKHUIBXLZ-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581866380 1280621398 /nfs/dbraw/zinc/62/13/98/1280621398.db2.gz ZIVVONKHUIBXLZ-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581869232 1280624498 /nfs/dbraw/zinc/62/44/98/1280624498.db2.gz NXVDRJLFARHHTG-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581869232 1280624505 /nfs/dbraw/zinc/62/45/05/1280624505.db2.gz NXVDRJLFARHHTG-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001581868194 1280625369 /nfs/dbraw/zinc/62/53/69/1280625369.db2.gz MUGUHJWGFKUMTG-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001581868194 1280625376 /nfs/dbraw/zinc/62/53/76/1280625376.db2.gz MUGUHJWGFKUMTG-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cnc1-c1nnn[n-]1 ZINC001581878589 1280633800 /nfs/dbraw/zinc/63/38/00/1280633800.db2.gz SIAVDIKOERGXOK-SJCJKPOMSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cnc1-c1nn[n-]n1 ZINC001581878589 1280633811 /nfs/dbraw/zinc/63/38/11/1280633811.db2.gz SIAVDIKOERGXOK-SJCJKPOMSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1csc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)n1 ZINC001581878614 1280635180 /nfs/dbraw/zinc/63/51/80/1280635180.db2.gz UJPDBZMRMBSSNH-UHFFFAOYSA-N -1 1 367.441 0.876 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880258 1280638111 /nfs/dbraw/zinc/63/81/11/1280638111.db2.gz DWLJAUDTFVGFPN-LLVKDONJSA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880258 1280638127 /nfs/dbraw/zinc/63/81/27/1280638127.db2.gz DWLJAUDTFVGFPN-LLVKDONJSA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1nc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581880534 1280639909 /nfs/dbraw/zinc/63/99/09/1280639909.db2.gz NJYARGAVAGEMSS-BXUZGUMPSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581880534 1280639914 /nfs/dbraw/zinc/63/99/14/1280639914.db2.gz NJYARGAVAGEMSS-BXUZGUMPSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@H]2CC(=O)N(C3CCCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880605 1280642235 /nfs/dbraw/zinc/64/22/35/1280642235.db2.gz PUSGQAHBRJSULC-JTQLQIEISA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1nc(N[C@H]2CC(=O)N(C3CCCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880605 1280642242 /nfs/dbraw/zinc/64/22/42/1280642242.db2.gz PUSGQAHBRJSULC-JTQLQIEISA-N -1 1 353.390 0.874 20 30 FCEDMM N#Cc1ncc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581882174 1280644111 /nfs/dbraw/zinc/64/41/11/1280644111.db2.gz NYIQIAUKQWSPSQ-ZETCQYMHSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(C(=O)C3CCCC3)C2)nc1-c1nn[n-]n1 ZINC001581883251 1280646814 /nfs/dbraw/zinc/64/68/14/1280646814.db2.gz STKYRHDGFRFMSI-NSHDSACASA-N -1 1 353.390 0.731 20 30 FCEDMM N#Cc1ncc(NCCN2C(=O)COc3ccccc32)nc1-c1nn[n-]n1 ZINC001581883927 1280649017 /nfs/dbraw/zinc/64/90/17/1280649017.db2.gz CJHWUJCSDIBKAJ-UHFFFAOYSA-N -1 1 363.341 0.366 20 30 FCEDMM N#Cc1ncc(NC[C@H]2CCN(CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581884419 1280651156 /nfs/dbraw/zinc/65/11/56/1280651156.db2.gz ZCYCBCDLLWNNHD-MRVPVSSYSA-N -1 1 353.312 0.824 20 30 FCEDMM C[C@@H](NC(=O)NCCn1cnc(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC001603631320 1287450015 /nfs/dbraw/zinc/45/00/15/1287450015.db2.gz YAPVXRVFEWUMKP-SNVBAGLBSA-N -1 1 352.362 0.390 20 30 FCEDMM CC(C)[C@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001603721859 1287479223 /nfs/dbraw/zinc/47/92/23/1287479223.db2.gz FTRFWBHXDAIKRJ-HNNXBMFYSA-N -1 1 365.478 0.658 20 30 FCEDMM Cc1nccn1-c1ccncc1NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001633802866 1282275872 /nfs/dbraw/zinc/27/58/72/1282275872.db2.gz PJZSNYPWISEFEJ-UHFFFAOYSA-N -1 1 351.326 0.348 20 30 FCEDMM C#C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001588331468 1282422935 /nfs/dbraw/zinc/42/29/35/1282422935.db2.gz BEFQBMGAMBOVOO-SNVBAGLBSA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001588337791 1282430311 /nfs/dbraw/zinc/43/03/11/1282430311.db2.gz CEGIXDHATRUGLE-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001588337791 1282430314 /nfs/dbraw/zinc/43/03/14/1282430314.db2.gz CEGIXDHATRUGLE-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588337554 1282430396 /nfs/dbraw/zinc/43/03/96/1282430396.db2.gz RVAMXNXGPWXNER-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588337554 1282430401 /nfs/dbraw/zinc/43/04/01/1282430401.db2.gz RVAMXNXGPWXNER-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588338469 1282430455 /nfs/dbraw/zinc/43/04/55/1282430455.db2.gz LOEUVGALCXGDHT-STQMWFEESA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588338509 1282431095 /nfs/dbraw/zinc/43/10/95/1282431095.db2.gz DGRRTYYPXFUEAB-SFHVURJKSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001588338859 1282432491 /nfs/dbraw/zinc/43/24/91/1282432491.db2.gz PZYDRHATWNAMMR-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001588338859 1282432498 /nfs/dbraw/zinc/43/24/98/1282432498.db2.gz PZYDRHATWNAMMR-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338887 1282432587 /nfs/dbraw/zinc/43/25/87/1282432587.db2.gz QHKUWBOZRQUUKB-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338887 1282432592 /nfs/dbraw/zinc/43/25/92/1282432592.db2.gz QHKUWBOZRQUUKB-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588339213 1282432680 /nfs/dbraw/zinc/43/26/80/1282432680.db2.gz WHKNVMBEUSDIIM-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588339213 1282432685 /nfs/dbraw/zinc/43/26/85/1282432685.db2.gz WHKNVMBEUSDIIM-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588339272 1282432741 /nfs/dbraw/zinc/43/27/41/1282432741.db2.gz MMBBZVPKNSRUPF-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588339272 1282432745 /nfs/dbraw/zinc/43/27/45/1282432745.db2.gz MMBBZVPKNSRUPF-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588339303 1282434379 /nfs/dbraw/zinc/43/43/79/1282434379.db2.gz NLKBTAWUBVGFFS-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588340230 1282434422 /nfs/dbraw/zinc/43/44/22/1282434422.db2.gz JFTYFIKYXBUCOS-ZDUSSCGKSA-N -1 1 354.418 0.711 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588340230 1282434427 /nfs/dbraw/zinc/43/44/27/1282434427.db2.gz JFTYFIKYXBUCOS-ZDUSSCGKSA-N -1 1 354.418 0.711 20 30 FCEDMM C#CCCCC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588340625 1282436181 /nfs/dbraw/zinc/43/61/81/1282436181.db2.gz YKXIHPWGGPJUHA-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588340625 1282436187 /nfs/dbraw/zinc/43/61/87/1282436187.db2.gz YKXIHPWGGPJUHA-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001588340798 1282436895 /nfs/dbraw/zinc/43/68/95/1282436895.db2.gz GPKGDOBHRIZWLO-DYEKYZERSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001588340798 1282436900 /nfs/dbraw/zinc/43/69/00/1282436900.db2.gz GPKGDOBHRIZWLO-DYEKYZERSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588342880 1282439115 /nfs/dbraw/zinc/43/91/15/1282439115.db2.gz UOOWWLUZWQKWCS-ZDUSSCGKSA-N -1 1 356.434 0.825 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588344564 1282439685 /nfs/dbraw/zinc/43/96/85/1282439685.db2.gz WGTQQNUHWBGFHX-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588344564 1282439687 /nfs/dbraw/zinc/43/96/87/1282439687.db2.gz WGTQQNUHWBGFHX-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001588348763 1282442811 /nfs/dbraw/zinc/44/28/11/1282442811.db2.gz LXGFQKNKLBNYGO-JTQLQIEISA-N -1 1 351.413 0.191 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588347921 1282443066 /nfs/dbraw/zinc/44/30/66/1282443066.db2.gz ASISQCJFDWKXKJ-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCN(C(=O)CCC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588347921 1282443071 /nfs/dbraw/zinc/44/30/71/1282443071.db2.gz ASISQCJFDWKXKJ-UHFFFAOYSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCN(CC)c1nnc(-c2ccnc3c(-c4nnn[n-]4)cnn32)n1CC ZINC001588350893 1282444218 /nfs/dbraw/zinc/44/42/18/1282444218.db2.gz VJMSCYPTLYAGSB-UHFFFAOYSA-N -1 1 363.389 0.647 20 30 FCEDMM C#CCN(CC)c1nnc(-c2ccnc3c(-c4nn[n-]n4)cnn32)n1CC ZINC001588350893 1282444222 /nfs/dbraw/zinc/44/42/22/1282444222.db2.gz VJMSCYPTLYAGSB-UHFFFAOYSA-N -1 1 363.389 0.647 20 30 FCEDMM C#CCNC(=O)COc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588354128 1282448746 /nfs/dbraw/zinc/44/87/46/1282448746.db2.gz QXVVDSBAUXWPFE-UHFFFAOYSA-N -1 1 368.353 0.560 20 30 FCEDMM C#CCNC(=O)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC001588353453 1282448824 /nfs/dbraw/zinc/44/88/24/1282448824.db2.gz SUPJITPOUKMOSJ-UHFFFAOYSA-N -1 1 370.373 0.323 20 30 FCEDMM C#CCNC(=O)C1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC001588353453 1282448829 /nfs/dbraw/zinc/44/88/29/1282448829.db2.gz SUPJITPOUKMOSJ-UHFFFAOYSA-N -1 1 370.373 0.323 20 30 FCEDMM C#CCN1CCN(C(=O)CSc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588352936 1282449252 /nfs/dbraw/zinc/44/92/52/1282449252.db2.gz ATASSUOZFWJMRJ-UHFFFAOYSA-N -1 1 360.418 0.875 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588354838 1282451476 /nfs/dbraw/zinc/45/14/76/1282451476.db2.gz AXMHSDQOCZRYKO-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588354989 1282451518 /nfs/dbraw/zinc/45/15/18/1282451518.db2.gz CVXGCCJVTYOTFF-CHWSQXEVSA-N -1 1 372.433 0.060 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355297 1282452856 /nfs/dbraw/zinc/45/28/56/1282452856.db2.gz FRQIMWXQNVAPLN-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355297 1282452874 /nfs/dbraw/zinc/45/28/74/1282452874.db2.gz FRQIMWXQNVAPLN-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001588355667 1282454660 /nfs/dbraw/zinc/45/46/60/1282454660.db2.gz LDYZKPFQPTWJKG-VXGBXAGGSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001588355667 1282454664 /nfs/dbraw/zinc/45/46/64/1282454664.db2.gz LDYZKPFQPTWJKG-VXGBXAGGSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588355755 1282455850 /nfs/dbraw/zinc/45/58/50/1282455850.db2.gz MFZQJTQUAOASDT-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588355755 1282455854 /nfs/dbraw/zinc/45/58/54/1282455854.db2.gz MFZQJTQUAOASDT-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355800 1282455922 /nfs/dbraw/zinc/45/59/22/1282455922.db2.gz MUAQCYZSSMVUEK-NEPJUHHUSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355800 1282455928 /nfs/dbraw/zinc/45/59/28/1282455928.db2.gz MUAQCYZSSMVUEK-NEPJUHHUSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588356132 1282457003 /nfs/dbraw/zinc/45/70/03/1282457003.db2.gz TZBDTTLXLLBAAN-CHWSQXEVSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588356132 1282457007 /nfs/dbraw/zinc/45/70/07/1282457007.db2.gz TZBDTTLXLLBAAN-CHWSQXEVSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001588356384 1282458752 /nfs/dbraw/zinc/45/87/52/1282458752.db2.gz WWQPHBCVAGOMBQ-AAEUAGOBSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588356384 1282458758 /nfs/dbraw/zinc/45/87/58/1282458758.db2.gz WWQPHBCVAGOMBQ-AAEUAGOBSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356551 1282460345 /nfs/dbraw/zinc/46/03/45/1282460345.db2.gz DIIJGDCCIYNDIV-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356551 1282460353 /nfs/dbraw/zinc/46/03/53/1282460353.db2.gz DIIJGDCCIYNDIV-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588358423 1282468422 /nfs/dbraw/zinc/46/84/22/1282468422.db2.gz XAPYPLYWHXPVNS-CMPLNLGQSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588358423 1282468429 /nfs/dbraw/zinc/46/84/29/1282468429.db2.gz XAPYPLYWHXPVNS-CMPLNLGQSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C(C)C ZINC001588358407 1282468439 /nfs/dbraw/zinc/46/84/39/1282468439.db2.gz WUMUSVMUYYQNCL-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C(C)C ZINC001588358407 1282468442 /nfs/dbraw/zinc/46/84/42/1282468442.db2.gz WUMUSVMUYYQNCL-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358468 1282469109 /nfs/dbraw/zinc/46/91/09/1282469109.db2.gz XPEXJMRCUKULBU-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358468 1282469114 /nfs/dbraw/zinc/46/91/14/1282469114.db2.gz XPEXJMRCUKULBU-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358558 1282470780 /nfs/dbraw/zinc/47/07/80/1282470780.db2.gz ZCHIJZKFMPVCLS-ZHRWSRJISA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358558 1282470787 /nfs/dbraw/zinc/47/07/87/1282470787.db2.gz ZCHIJZKFMPVCLS-ZHRWSRJISA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCOCCC(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588358961 1282473094 /nfs/dbraw/zinc/47/30/94/1282473094.db2.gz DRXJRXXTJWTFIW-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588358961 1282473100 /nfs/dbraw/zinc/47/31/00/1282473100.db2.gz DRXJRXXTJWTFIW-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588360211 1282478232 /nfs/dbraw/zinc/47/82/32/1282478232.db2.gz KVOIXMSYVPRUEF-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588360211 1282478238 /nfs/dbraw/zinc/47/82/38/1282478238.db2.gz KVOIXMSYVPRUEF-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588360881 1282479779 /nfs/dbraw/zinc/47/97/79/1282479779.db2.gz XAHXXHHBFXHRAU-ZDUSSCGKSA-N -1 1 370.417 0.265 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588360881 1282479783 /nfs/dbraw/zinc/47/97/83/1282479783.db2.gz XAHXXHHBFXHRAU-ZDUSSCGKSA-N -1 1 370.417 0.265 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588361075 1282480224 /nfs/dbraw/zinc/48/02/24/1282480224.db2.gz CXTSBTUFZIYBKN-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588361075 1282480228 /nfs/dbraw/zinc/48/02/28/1282480228.db2.gz CXTSBTUFZIYBKN-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001588361270 1282482567 /nfs/dbraw/zinc/48/25/67/1282482567.db2.gz IZVNXMDYYDSNQX-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001588361270 1282482575 /nfs/dbraw/zinc/48/25/75/1282482575.db2.gz IZVNXMDYYDSNQX-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361823 1282484738 /nfs/dbraw/zinc/48/47/38/1282484738.db2.gz SXUAPUWMVKCWEG-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361823 1282484743 /nfs/dbraw/zinc/48/47/43/1282484743.db2.gz SXUAPUWMVKCWEG-STQMWFEESA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588362662 1282486224 /nfs/dbraw/zinc/48/62/24/1282486224.db2.gz OOFIFDLFUHHYJJ-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588362662 1282486230 /nfs/dbraw/zinc/48/62/30/1282486230.db2.gz OOFIFDLFUHHYJJ-HAQNSBGRSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362015 1282487380 /nfs/dbraw/zinc/48/73/80/1282487380.db2.gz VTIULCKPQAFHQN-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362015 1282487383 /nfs/dbraw/zinc/48/73/83/1282487383.db2.gz VTIULCKPQAFHQN-STQMWFEESA-N -1 1 370.417 0.536 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001588368484 1282492871 /nfs/dbraw/zinc/49/28/71/1282492871.db2.gz UJMMDXUXVBYECU-GFCCVEGCSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001588368484 1282492878 /nfs/dbraw/zinc/49/28/78/1282492878.db2.gz UJMMDXUXVBYECU-GFCCVEGCSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001588370081 1282493232 /nfs/dbraw/zinc/49/32/32/1282493232.db2.gz MBSOTCMLYWWTGO-IUODEOHRSA-N -1 1 374.408 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001588371407 1282493882 /nfs/dbraw/zinc/49/38/82/1282493882.db2.gz GKBMSYGZWGVZAV-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1ccc(C(=O)NCCN(CC)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001588371407 1282493889 /nfs/dbraw/zinc/49/38/89/1282493889.db2.gz GKBMSYGZWGVZAV-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588377340 1282494931 /nfs/dbraw/zinc/49/49/31/1282494931.db2.gz WDHKSTMYQKEWST-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588377340 1282494936 /nfs/dbraw/zinc/49/49/36/1282494936.db2.gz WDHKSTMYQKEWST-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001588379835 1282495336 /nfs/dbraw/zinc/49/53/36/1282495336.db2.gz OJBMWECPRWWJSI-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001588379835 1282495345 /nfs/dbraw/zinc/49/53/45/1282495345.db2.gz OJBMWECPRWWJSI-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381368 1282497128 /nfs/dbraw/zinc/49/71/28/1282497128.db2.gz ZKDSRWYOEIPSDC-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381368 1282497136 /nfs/dbraw/zinc/49/71/36/1282497136.db2.gz ZKDSRWYOEIPSDC-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588391910 1282497661 /nfs/dbraw/zinc/49/76/61/1282497661.db2.gz QYIYIYPGGWQVSB-LBPRGKRZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402763 1282499696 /nfs/dbraw/zinc/49/96/96/1282499696.db2.gz MSAHBERAXPOWEG-CHWSQXEVSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403228 1282500001 /nfs/dbraw/zinc/50/00/01/1282500001.db2.gz XQLVLCHORYSGRE-LBPRGKRZSA-N -1 1 360.422 0.580 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588412239 1282502094 /nfs/dbraw/zinc/50/20/94/1282502094.db2.gz UOUYBCFKLNBIBL-KRWDZBQOSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588412239 1282502102 /nfs/dbraw/zinc/50/21/02/1282502102.db2.gz UOUYBCFKLNBIBL-KRWDZBQOSA-N -1 1 372.433 0.778 20 30 FCEDMM C=C(C)CCC(=O)NCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588418020 1282505711 /nfs/dbraw/zinc/50/57/11/1282505711.db2.gz OAYJYECGWXRRFY-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=C(C)CCC(=O)NCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588418020 1282505721 /nfs/dbraw/zinc/50/57/21/1282505721.db2.gz OAYJYECGWXRRFY-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=C(C)CCC(=O)NCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588417816 1282506234 /nfs/dbraw/zinc/50/62/34/1282506234.db2.gz HOSVLQWDUCRMCX-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=C(C)CCC(=O)NCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588417816 1282506237 /nfs/dbraw/zinc/50/62/37/1282506237.db2.gz HOSVLQWDUCRMCX-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588443378 1282506772 /nfs/dbraw/zinc/50/67/72/1282506772.db2.gz QQILLPXNIQLTIA-NHYWBVRUSA-N -1 1 372.433 0.728 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588443378 1282506782 /nfs/dbraw/zinc/50/67/82/1282506782.db2.gz QQILLPXNIQLTIA-NHYWBVRUSA-N -1 1 372.433 0.728 20 30 FCEDMM C=C(Cn1cc(Br)cc(-c2nn[n-]n2)c1=O)C(=O)OCC ZINC001588447461 1282506948 /nfs/dbraw/zinc/50/69/48/1282506948.db2.gz FZUGFEDAWZNOCN-UHFFFAOYSA-N -1 1 354.164 0.910 20 30 FCEDMM C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588448841 1282507520 /nfs/dbraw/zinc/50/75/20/1282507520.db2.gz GETZTNDNGGESQL-VXGBXAGGSA-N -1 1 354.418 0.694 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588443461 1282507980 /nfs/dbraw/zinc/50/79/80/1282507980.db2.gz ROJGOZFJHALLPO-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588443461 1282507991 /nfs/dbraw/zinc/50/79/91/1282507991.db2.gz ROJGOZFJHALLPO-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588461977 1282510978 /nfs/dbraw/zinc/51/09/78/1282510978.db2.gz ZFNKVUUIETVKFM-LBPRGKRZSA-N -1 1 358.406 0.292 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 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/nfs/dbraw/zinc/52/05/62/1282520562.db2.gz GNMCKZNLYMPZDB-GFCCVEGCSA-N -1 1 372.433 0.320 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588493546 1282522737 /nfs/dbraw/zinc/52/27/37/1282522737.db2.gz HKSUPJJMNWEQTP-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588493546 1282522747 /nfs/dbraw/zinc/52/27/47/1282522747.db2.gz HKSUPJJMNWEQTP-YVEFUNNKSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588493523 1282523411 /nfs/dbraw/zinc/52/34/11/1282523411.db2.gz HDUSNEJPMMBNKL-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588493523 1282523424 /nfs/dbraw/zinc/52/34/24/1282523424.db2.gz HDUSNEJPMMBNKL-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588491877 1282524260 /nfs/dbraw/zinc/52/42/60/1282524260.db2.gz 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C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588499489 1282528136 /nfs/dbraw/zinc/52/81/36/1282528136.db2.gz IVMMYTDRZSHAAS-SJORKVTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588499489 1282528147 /nfs/dbraw/zinc/52/81/47/1282528147.db2.gz IVMMYTDRZSHAAS-SJORKVTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588499487 1282528781 /nfs/dbraw/zinc/52/87/81/1282528781.db2.gz IVMMYTDRZSHAAS-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588499487 1282528790 /nfs/dbraw/zinc/52/87/90/1282528790.db2.gz IVMMYTDRZSHAAS-IRXDYDNUSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588498570 1282529082 /nfs/dbraw/zinc/52/90/82/1282529082.db2.gz BQVNWOUEHYIYNF-MEDUHNTESA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498570 1282529087 /nfs/dbraw/zinc/52/90/87/1282529087.db2.gz BQVNWOUEHYIYNF-MEDUHNTESA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588500143 1282530926 /nfs/dbraw/zinc/53/09/26/1282530926.db2.gz RLCBPABAOIIDHG-KRWDZBQOSA-N -1 1 372.433 0.056 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588500923 1282533308 /nfs/dbraw/zinc/53/33/08/1282533308.db2.gz GRALYIHDXMETGX-HOTGVXAUSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588500956 1282533408 /nfs/dbraw/zinc/53/34/08/1282533408.db2.gz HFABGALAWKENQN-HZPDHXFCSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588500956 1282533421 /nfs/dbraw/zinc/53/34/21/1282533421.db2.gz HFABGALAWKENQN-HZPDHXFCSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588501195 1282533975 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HFYDTEJWMHZHEZ-IRXDYDNUSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501821 1282536439 /nfs/dbraw/zinc/53/64/39/1282536439.db2.gz ONDFGYHYFWBUQU-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501821 1282536446 /nfs/dbraw/zinc/53/64/46/1282536446.db2.gz ONDFGYHYFWBUQU-YVEFUNNKSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588501306 1282536721 /nfs/dbraw/zinc/53/67/21/1282536721.db2.gz MAXRFHRZPOWGJM-PIGZYNQJSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588501306 1282536727 /nfs/dbraw/zinc/53/67/27/1282536727.db2.gz MAXRFHRZPOWGJM-PIGZYNQJSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588504313 1282542352 /nfs/dbraw/zinc/54/23/52/1282542352.db2.gz JXHJHGVLNYGQSC-QFSBIZTOSA-N -1 1 372.433 0.172 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588504313 1282542361 /nfs/dbraw/zinc/54/23/61/1282542361.db2.gz JXHJHGVLNYGQSC-QFSBIZTOSA-N -1 1 372.433 0.172 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588503932 1282543494 /nfs/dbraw/zinc/54/34/94/1282543494.db2.gz IBOIOQLOMGNVMM-APPDUMDISA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588503932 1282543503 /nfs/dbraw/zinc/54/35/03/1282543503.db2.gz IBOIOQLOMGNVMM-APPDUMDISA-N -1 1 374.449 0.853 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588503823 1282543821 /nfs/dbraw/zinc/54/38/21/1282543821.db2.gz GCKRVZOBVOAIDG-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588503823 1282543828 /nfs/dbraw/zinc/54/38/28/1282543828.db2.gz GCKRVZOBVOAIDG-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588504088 1282544048 /nfs/dbraw/zinc/54/40/48/1282544048.db2.gz ISHPPTHLKWLXKO-SJKOYZFVSA-N -1 1 374.449 0.623 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588504088 1282544057 /nfs/dbraw/zinc/54/40/57/1282544057.db2.gz ISHPPTHLKWLXKO-SJKOYZFVSA-N -1 1 374.449 0.623 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001588505259 1282546003 /nfs/dbraw/zinc/54/60/03/1282546003.db2.gz OKQVDYHHBWRFIK-CXAGYDPISA-N -1 1 374.449 0.845 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001588505259 1282546009 /nfs/dbraw/zinc/54/60/09/1282546009.db2.gz OKQVDYHHBWRFIK-CXAGYDPISA-N -1 1 374.449 0.845 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588505277 1282547110 /nfs/dbraw/zinc/54/71/10/1282547110.db2.gz OQILHQIHVFAMPX-CYBMUJFWSA-N -1 1 371.854 0.856 20 30 FCEDMM 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C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588509235 1282550227 /nfs/dbraw/zinc/55/02/27/1282550227.db2.gz VKQSSEYXPXKXRN-GLKRBJQHSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588508668 1282551197 /nfs/dbraw/zinc/55/11/97/1282551197.db2.gz RHWOUHZNPNANFC-XLKFXECMSA-N -1 1 351.436 0.875 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588509734 1282551319 /nfs/dbraw/zinc/55/13/19/1282551319.db2.gz YSLRWVPUEQKLGA-SJCJKPOMSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588509734 1282551322 /nfs/dbraw/zinc/55/13/22/1282551322.db2.gz YSLRWVPUEQKLGA-SJCJKPOMSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588525754 1282559236 /nfs/dbraw/zinc/55/92/36/1282559236.db2.gz KFLUVFQWTJSRIC-VIFPVBQESA-N -1 1 362.394 0.074 20 30 FCEDMM C=C[C@@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588525754 1282559244 /nfs/dbraw/zinc/55/92/44/1282559244.db2.gz KFLUVFQWTJSRIC-VIFPVBQESA-N -1 1 362.394 0.074 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588532227 1282561545 /nfs/dbraw/zinc/56/15/45/1282561545.db2.gz PYGIFYOTPVHNGN-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588532227 1282561553 /nfs/dbraw/zinc/56/15/53/1282561553.db2.gz PYGIFYOTPVHNGN-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588587322 1282575744 /nfs/dbraw/zinc/57/57/44/1282575744.db2.gz URSFKNRDQNPQEA-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588587322 1282575757 /nfs/dbraw/zinc/57/57/57/1282575757.db2.gz URSFKNRDQNPQEA-DGCLKSJQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588607929 1282582087 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1282626942 /nfs/dbraw/zinc/62/69/42/1282626942.db2.gz SMGLLOZQZIDSHC-QWHCGFSZSA-N -1 1 370.417 0.287 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588672152 1282626950 /nfs/dbraw/zinc/62/69/50/1282626950.db2.gz SMGLLOZQZIDSHC-QWHCGFSZSA-N -1 1 370.417 0.287 20 30 FCEDMM C=CCOCC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001588671926 1282627544 /nfs/dbraw/zinc/62/75/44/1282627544.db2.gz PTRBPZRSOFVPRV-ZDUSSCGKSA-N -1 1 372.433 0.368 20 30 FCEDMM C=CCOCC(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588674362 1282632251 /nfs/dbraw/zinc/63/22/51/1282632251.db2.gz MZAYIGHAFWQSME-UHFFFAOYSA-N -1 1 356.390 0.112 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001588676445 1282635664 /nfs/dbraw/zinc/63/56/64/1282635664.db2.gz VMUKYAQYRBTUBV-NSHDSACASA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588682645 1282643944 /nfs/dbraw/zinc/64/39/44/1282643944.db2.gz OQRRWLMWCLPTQA-ATCWAGBWSA-N -1 1 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ZINC001591059079 1284120733 /nfs/dbraw/zinc/12/07/33/1284120733.db2.gz CSRJVWVHJITSPT-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)CSCC#N)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001591059079 1284120737 /nfs/dbraw/zinc/12/07/37/1284120737.db2.gz CSRJVWVHJITSPT-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591073777 1284135831 /nfs/dbraw/zinc/13/58/31/1284135831.db2.gz DJJABELQNPCAKD-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1c[nH]c(C#N)c1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591073777 1284135835 /nfs/dbraw/zinc/13/58/35/1284135835.db2.gz DJJABELQNPCAKD-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)CC#Cc1ccccc1 ZINC001591105806 1284179811 /nfs/dbraw/zinc/17/98/11/1284179811.db2.gz DTIHVGSPGMHLOL-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM CN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)CC#Cc1ccccc1 ZINC001591105806 1284179816 /nfs/dbraw/zinc/17/98/16/1284179816.db2.gz DTIHVGSPGMHLOL-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM COc1cc(CNC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)ccc1C#N ZINC001591528542 1284715032 /nfs/dbraw/zinc/71/50/32/1284715032.db2.gz SWJZNIFOGDWSBM-VIFPVBQESA-N -1 1 353.346 0.216 20 30 FCEDMM COc1ccc([C@H](CO)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001591577975 1284747866 /nfs/dbraw/zinc/74/78/66/1284747866.db2.gz DUQQKRPRBMQUKS-NSHDSACASA-N -1 1 352.358 0.725 20 30 FCEDMM COc1cccc([S@@](=O)CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591642236 1284775582 /nfs/dbraw/zinc/77/55/82/1284775582.db2.gz WDILDJRDNBQVJK-SANMLTNESA-N -1 1 372.370 0.216 20 30 FCEDMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001591749374 1284876726 /nfs/dbraw/zinc/87/67/26/1284876726.db2.gz QBGIYAXWYSEURE-CHWSQXEVSA-N -1 1 368.445 0.895 20 30 FCEDMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC001591749374 1284876735 /nfs/dbraw/zinc/87/67/35/1284876735.db2.gz QBGIYAXWYSEURE-CHWSQXEVSA-N -1 1 368.445 0.895 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCCN(C)C(=O)C#CC2CC2)n1 ZINC001591883499 1284972815 /nfs/dbraw/zinc/97/28/15/1284972815.db2.gz QXPHTTGNKUSFIH-UHFFFAOYSA-N -1 1 354.418 0.663 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCCN(C)C(=O)C#CC2CC2)n1 ZINC001591883499 1284972823 /nfs/dbraw/zinc/97/28/23/1284972823.db2.gz QXPHTTGNKUSFIH-UHFFFAOYSA-N -1 1 354.418 0.663 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCOCCNC(=O)C#CC(C)C)n1 ZINC001591884522 1284972914 /nfs/dbraw/zinc/97/29/14/1284972914.db2.gz JPHBGXMZCXEYNY-UHFFFAOYSA-N -1 1 372.433 0.194 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCOCCNC(=O)C#CC(C)C)n1 ZINC001591884522 1284972926 /nfs/dbraw/zinc/97/29/26/1284972926.db2.gz JPHBGXMZCXEYNY-UHFFFAOYSA-N -1 1 372.433 0.194 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N(C)C(=O)CSCC#N)C2)n1 ZINC001591886184 1284974929 /nfs/dbraw/zinc/97/49/29/1284974929.db2.gz IQDUHADVVWXUFO-LLVKDONJSA-N -1 1 373.446 0.259 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)CSCC#N)C2)n1 ZINC001591886184 1284974937 /nfs/dbraw/zinc/97/49/37/1284974937.db2.gz IQDUHADVVWXUFO-LLVKDONJSA-N -1 1 373.446 0.259 20 30 FCEDMM CN(CCCOc1ccccc1)C(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001604755945 1287764802 /nfs/dbraw/zinc/76/48/02/1287764802.db2.gz DZWVPWYIVFRMBD-UHFFFAOYSA-N -1 1 366.385 0.862 20 30 FCEDMM Cc1[nH]nc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001592328328 1285236394 /nfs/dbraw/zinc/23/63/94/1285236394.db2.gz QUARLEQGZVAFNH-UHFFFAOYSA-N -1 1 351.330 0.138 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001604762460 1287770584 /nfs/dbraw/zinc/77/05/84/1287770584.db2.gz OUGDNOWLRLSGPG-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001604762460 1287770590 /nfs/dbraw/zinc/77/05/90/1287770590.db2.gz OUGDNOWLRLSGPG-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)CC#N ZINC001592401056 1285310864 /nfs/dbraw/zinc/31/08/64/1285310864.db2.gz WQJUWKIMFIVFMB-SECBINFHSA-N -1 1 353.390 0.877 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)CC#N ZINC001592401056 1285310873 /nfs/dbraw/zinc/31/08/73/1285310873.db2.gz WQJUWKIMFIVFMB-SECBINFHSA-N -1 1 353.390 0.877 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001592500145 1285426675 /nfs/dbraw/zinc/42/66/75/1285426675.db2.gz AUDIBYPTNSZJFD-QINSGFPZSA-N -1 1 357.330 0.024 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001592500145 1285426681 /nfs/dbraw/zinc/42/66/81/1285426681.db2.gz AUDIBYPTNSZJFD-QINSGFPZSA-N -1 1 357.330 0.024 20 30 FCEDMM Cn1c(C#N)ccc1C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001592546074 1285453600 /nfs/dbraw/zinc/45/36/00/1285453600.db2.gz ICUSJMYSEAZVSO-UHFFFAOYSA-N -1 1 360.341 0.910 20 30 FCEDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cc(F)c(C#N)c(F)c2)n(C)c1=O ZINC001592555328 1285464852 /nfs/dbraw/zinc/46/48/52/1285464852.db2.gz IDMJBKUFACRMEM-UHFFFAOYSA-N -1 1 374.311 0.026 20 30 FCEDMM Cn1cc([C@H]2CSCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592570645 1285487341 /nfs/dbraw/zinc/48/73/41/1285487341.db2.gz WZMHPIWPRYMVLY-LLVKDONJSA-N -1 1 354.403 0.556 20 30 FCEDMM Cn1cc([C@H]2CSCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592570645 1285487347 /nfs/dbraw/zinc/48/73/47/1285487347.db2.gz WZMHPIWPRYMVLY-LLVKDONJSA-N -1 1 354.403 0.556 20 30 FCEDMM N#CC[C@]1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592674831 1285569371 /nfs/dbraw/zinc/56/93/71/1285569371.db2.gz IGFYZXAWGVAVDU-ZDUSSCGKSA-N -1 1 352.351 0.045 20 30 FCEDMM N#CCN1CCC(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001592677893 1285571934 /nfs/dbraw/zinc/57/19/34/1285571934.db2.gz WBVGOQGRZBAAOZ-UHFFFAOYSA-N -1 1 367.460 0.442 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592678997 1285573976 /nfs/dbraw/zinc/57/39/76/1285573976.db2.gz CABSVGBPWACVFR-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592679387 1285576242 /nfs/dbraw/zinc/57/62/42/1285576242.db2.gz PDCBFDYUHUIYOT-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592679387 1285576246 /nfs/dbraw/zinc/57/62/46/1285576246.db2.gz PDCBFDYUHUIYOT-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679303 1285576456 /nfs/dbraw/zinc/57/64/56/1285576456.db2.gz LZIQIAFRTGHSBI-QWRGUYRKSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679303 1285576464 /nfs/dbraw/zinc/57/64/64/1285576464.db2.gz LZIQIAFRTGHSBI-QWRGUYRKSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679565 1285576618 /nfs/dbraw/zinc/57/66/18/1285576618.db2.gz UZBNQPWDXKXIPJ-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679565 1285576630 /nfs/dbraw/zinc/57/66/30/1285576630.db2.gz UZBNQPWDXKXIPJ-GHMZBOCLSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592680816 1285578755 /nfs/dbraw/zinc/57/87/55/1285578755.db2.gz ZZYADODSDXWBGN-NSHDSACASA-N -1 1 373.446 0.128 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592680471 1285578997 /nfs/dbraw/zinc/57/89/97/1285578997.db2.gz OPVAYHLGTHJLBB-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592680471 1285579008 /nfs/dbraw/zinc/57/90/08/1285579008.db2.gz OPVAYHLGTHJLBB-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2oc3ccccc3c2CO)nc1-c1nn[nH]n1 ZINC001592681356 1285579591 /nfs/dbraw/zinc/57/95/91/1285579591.db2.gz BUELXKDSLPDNRE-UHFFFAOYSA-N -1 1 350.298 0.952 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NCCCC1CCCCC1 ZINC001592682070 1285581377 /nfs/dbraw/zinc/58/13/77/1285581377.db2.gz OLMQQRMKCMCNOO-UHFFFAOYSA-N -1 1 357.422 0.994 20 30 FCEDMM N#Cc1ccc(C(=O)OCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)nc1 ZINC001592691461 1285585641 /nfs/dbraw/zinc/58/56/41/1285585641.db2.gz WTVXYSOGODZMIW-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1ccc([C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592692048 1285586750 /nfs/dbraw/zinc/58/67/50/1285586750.db2.gz PYRCIPJLJAXQKQ-CQSZACIVSA-N -1 1 359.353 0.978 20 30 FCEDMM N#Cc1ncc(NCc2nnc3ccc(Cl)cn32)nc1-c1nn[n-]n1 ZINC001592708720 1285593874 /nfs/dbraw/zinc/59/38/74/1285593874.db2.gz KYBYMTVMZPXPOV-UHFFFAOYSA-N -1 1 353.737 0.837 20 30 FCEDMM N#Cc1nc(N[C@H]2CN(c3ccc(F)cc3)C2=O)cnc1-c1nnn[n-]1 ZINC001592707810 1285594085 /nfs/dbraw/zinc/59/40/85/1285594085.db2.gz CZPVPUAWJZEHSX-NSHDSACASA-N -1 1 351.305 0.495 20 30 FCEDMM N#Cc1nc(N[C@H]2CN(c3ccc(F)cc3)C2=O)cnc1-c1nn[n-]n1 ZINC001592707810 1285594087 /nfs/dbraw/zinc/59/40/87/1285594087.db2.gz CZPVPUAWJZEHSX-NSHDSACASA-N -1 1 351.305 0.495 20 30 FCEDMM N#Cc1ncn(Cc2nc3ncc(Br)cn3n2)c1-c1nn[n-]n1 ZINC001592709326 1285594165 /nfs/dbraw/zinc/59/41/65/1285594165.db2.gz AYTMFSBDMZHYJQ-UHFFFAOYSA-N -1 1 372.150 0.183 20 30 FCEDMM N#Cc1ncn(CC(=O)Nc2ccc3c(c2)OCCCO3)c1-c1nn[n-]n1 ZINC001592709664 1285596919 /nfs/dbraw/zinc/59/69/19/1285596919.db2.gz LUMLJMNJYJFVQR-UHFFFAOYSA-N -1 1 366.341 0.735 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001592766625 1285688926 /nfs/dbraw/zinc/68/89/26/1285688926.db2.gz PIUQAXPXJWQGOK-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001592766625 1285688933 /nfs/dbraw/zinc/68/89/33/1285688933.db2.gz PIUQAXPXJWQGOK-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592766624 1285689183 /nfs/dbraw/zinc/68/91/83/1285689183.db2.gz PISLYTDPYVWHSM-UHFFFAOYSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592766624 1285689192 /nfs/dbraw/zinc/68/91/92/1285689192.db2.gz PISLYTDPYVWHSM-UHFFFAOYSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)NCCC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001592767283 1285690620 /nfs/dbraw/zinc/69/06/20/1285690620.db2.gz ADIRUSMNFIZJPE-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)NCCC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001592767283 1285690631 /nfs/dbraw/zinc/69/06/31/1285690631.db2.gz ADIRUSMNFIZJPE-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001592767832 1285691074 /nfs/dbraw/zinc/69/10/74/1285691074.db2.gz NJHBRFPHDKRCNV-UPJWGTAASA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001592767832 1285691078 /nfs/dbraw/zinc/69/10/78/1285691078.db2.gz NJHBRFPHDKRCNV-UPJWGTAASA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592767288 1285691310 /nfs/dbraw/zinc/69/13/10/1285691310.db2.gz AGVDWZUMAXASCR-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592767288 1285691314 /nfs/dbraw/zinc/69/13/14/1285691314.db2.gz AGVDWZUMAXASCR-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592767291 1285691496 /nfs/dbraw/zinc/69/14/96/1285691496.db2.gz AGVDWZUMAXASCR-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592767291 1285691503 /nfs/dbraw/zinc/69/15/03/1285691503.db2.gz AGVDWZUMAXASCR-STQMWFEESA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592768261 1285693562 /nfs/dbraw/zinc/69/35/62/1285693562.db2.gz GJBJLSRDCOOUIZ-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592768261 1285693566 /nfs/dbraw/zinc/69/35/66/1285693566.db2.gz GJBJLSRDCOOUIZ-ZDUSSCGKSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592769709 1285695500 /nfs/dbraw/zinc/69/55/00/1285695500.db2.gz WTNRVRHOXKFIEF-UHFFFAOYSA-N -1 1 352.402 0.769 20 30 FCEDMM O=C(C#CC1CC1)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592769709 1285695505 /nfs/dbraw/zinc/69/55/05/1285695505.db2.gz 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C#CCCCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001602703272 1287064685 /nfs/dbraw/zinc/06/46/85/1287064685.db2.gz MORLHXSXVHZUAU-ZDUSSCGKSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001602703272 1287064699 /nfs/dbraw/zinc/06/46/99/1287064699.db2.gz MORLHXSXVHZUAU-ZDUSSCGKSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602703569 1287065599 /nfs/dbraw/zinc/06/55/99/1287065599.db2.gz VNSODXUKCOLXJQ-QWHCGFSZSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602703569 1287065611 /nfs/dbraw/zinc/06/56/11/1287065611.db2.gz VNSODXUKCOLXJQ-QWHCGFSZSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001602702960 1287066036 /nfs/dbraw/zinc/06/60/36/1287066036.db2.gz JVKQQIKHHKQFEX-GOSISDBHSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001602702960 1287066049 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1 372.433 0.580 20 30 FCEDMM C=CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001602826131 1287125904 /nfs/dbraw/zinc/12/59/04/1287125904.db2.gz AFKPTDCBHIUMEW-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001602826131 1287125914 /nfs/dbraw/zinc/12/59/14/1287125914.db2.gz AFKPTDCBHIUMEW-ZETCQYMHSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602832982 1287128140 /nfs/dbraw/zinc/12/81/40/1287128140.db2.gz YQODITUWHHGSAF-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=CCCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602832982 1287128145 /nfs/dbraw/zinc/12/81/45/1287128145.db2.gz YQODITUWHHGSAF-QGZVFWFLSA-N -1 1 372.433 0.778 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001602840867 1287130405 /nfs/dbraw/zinc/13/04/05/1287130405.db2.gz HSRKNUJFUMOPFR-AGIUHOORSA-N -1 1 370.417 0.427 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001602840867 1287130410 /nfs/dbraw/zinc/13/04/10/1287130410.db2.gz HSRKNUJFUMOPFR-AGIUHOORSA-N -1 1 370.417 0.427 20 30 FCEDMM C=CCCCS(=O)(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001602839653 1287131037 /nfs/dbraw/zinc/13/10/37/1287131037.db2.gz FECQXGJIJWPBPY-UHFFFAOYSA-N -1 1 363.447 0.680 20 30 FCEDMM C=CCCCS(=O)(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001602839653 1287131042 /nfs/dbraw/zinc/13/10/42/1287131042.db2.gz FECQXGJIJWPBPY-UHFFFAOYSA-N -1 1 363.447 0.680 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602841359 1287131514 /nfs/dbraw/zinc/13/15/14/1287131514.db2.gz VNGQGDXKPWVWJM-LLVKDONJSA-N -1 1 358.406 0.121 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001602844143 1287132340 /nfs/dbraw/zinc/13/23/40/1287132340.db2.gz KDVQJPCDYDSMLS-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001602844143 1287132348 /nfs/dbraw/zinc/13/23/48/1287132348.db2.gz KDVQJPCDYDSMLS-CHWSQXEVSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602844169 1287133253 /nfs/dbraw/zinc/13/32/53/1287133253.db2.gz KXLSMNIYOUFRSI-ZDUSSCGKSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001602844861 1287134706 /nfs/dbraw/zinc/13/47/06/1287134706.db2.gz SLFOALZPMGIYKG-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001602844861 1287134708 /nfs/dbraw/zinc/13/47/08/1287134708.db2.gz SLFOALZPMGIYKG-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001602849671 1287136743 /nfs/dbraw/zinc/13/67/43/1287136743.db2.gz GFWFPTISMRAGLM-LBPRGKRZSA-N -1 1 356.386 0.937 20 30 FCEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001602849671 1287136745 /nfs/dbraw/zinc/13/67/45/1287136745.db2.gz GFWFPTISMRAGLM-LBPRGKRZSA-N -1 1 356.386 0.937 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001602866653 1287140377 /nfs/dbraw/zinc/14/03/77/1287140377.db2.gz HMKFWOYBSHAHQX-RYUDHWBXSA-N -1 1 358.406 0.073 20 30 FCEDMM C=CCOCC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602867216 1287141593 /nfs/dbraw/zinc/14/15/93/1287141593.db2.gz ZMLHKTKPFKPVQO-UHFFFAOYSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602867216 1287141596 /nfs/dbraw/zinc/14/15/96/1287141596.db2.gz ZMLHKTKPFKPVQO-UHFFFAOYSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602869324 1287144249 /nfs/dbraw/zinc/14/42/49/1287144249.db2.gz BSEYHTWTHORZCM-HAQNSBGRSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602869324 1287144252 /nfs/dbraw/zinc/14/42/52/1287144252.db2.gz BSEYHTWTHORZCM-HAQNSBGRSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCn1c(Cc2ccc(-c3nnn[n-]3)nc2)nnc1N1CCCOCC1 ZINC001602879018 1287145163 /nfs/dbraw/zinc/14/51/63/1287145163.db2.gz CXVZCXAGJYTJIO-UHFFFAOYSA-N -1 1 367.417 0.857 20 30 FCEDMM C=CCn1c(Cc2ccc(-c3nn[n-]n3)nc2)nnc1N1CCCOCC1 ZINC001602879018 1287145164 /nfs/dbraw/zinc/14/51/64/1287145164.db2.gz CXVZCXAGJYTJIO-UHFFFAOYSA-N -1 1 367.417 0.857 20 30 FCEDMM C=CCn1cc(C(=O)NC[C@H](CC)Nc2ccc(-c3nnn[n-]3)nn2)nn1 ZINC001602882682 1287147352 /nfs/dbraw/zinc/14/73/52/1287147352.db2.gz RDDBTCJJGRTTHS-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)NC[C@H](CC)Nc2ccc(-c3nn[n-]n3)nn2)nn1 ZINC001602882682 1287147356 /nfs/dbraw/zinc/14/73/56/1287147356.db2.gz RDDBTCJJGRTTHS-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCCC1(C)C ZINC001602879272 1287147912 /nfs/dbraw/zinc/14/79/12/1287147912.db2.gz FAWYKCPFLYBZIO-UHFFFAOYSA-N -1 1 355.410 0.663 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001602894268 1287150924 /nfs/dbraw/zinc/15/09/24/1287150924.db2.gz TUXAXNXUAOGTAN-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001602894268 1287150930 /nfs/dbraw/zinc/15/09/30/1287150930.db2.gz TUXAXNXUAOGTAN-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001602981833 1287172734 /nfs/dbraw/zinc/17/27/34/1287172734.db2.gz KVHGFAZXAVPEDB-TUAOUCFPSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001602981833 1287172740 /nfs/dbraw/zinc/17/27/40/1287172740.db2.gz KVHGFAZXAVPEDB-TUAOUCFPSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001602982981 1287173747 /nfs/dbraw/zinc/17/37/47/1287173747.db2.gz CQYNRGLDPBEABO-WDEREUQCSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001602982980 1287174079 /nfs/dbraw/zinc/17/40/79/1287174079.db2.gz CQYNRGLDPBEABO-QWRGUYRKSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602984246 1287174595 /nfs/dbraw/zinc/17/45/95/1287174595.db2.gz VFAQDCUDWKNTNB-NSHDSACASA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602984246 1287174598 /nfs/dbraw/zinc/17/45/98/1287174598.db2.gz VFAQDCUDWKNTNB-NSHDSACASA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602982942 1287174805 /nfs/dbraw/zinc/17/48/05/1287174805.db2.gz BGYOBEVOBYKQPU-LLVKDONJSA-N -1 1 353.390 0.459 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001603051323 1287198190 /nfs/dbraw/zinc/19/81/90/1287198190.db2.gz GWTPCIOCUYGMFU-LBPRGKRZSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001603051323 1287198192 /nfs/dbraw/zinc/19/81/92/1287198192.db2.gz GWTPCIOCUYGMFU-LBPRGKRZSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)(C)C#CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001603051393 1287198382 /nfs/dbraw/zinc/19/83/82/1287198382.db2.gz JFIXZIXHLLKDPN-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001603051393 1287198385 /nfs/dbraw/zinc/19/83/85/1287198385.db2.gz JFIXZIXHLLKDPN-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001603051737 1287198434 /nfs/dbraw/zinc/19/84/34/1287198434.db2.gz VSOHFQNTOIIPGY-GFCCVEGCSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001603051737 1287198435 /nfs/dbraw/zinc/19/84/35/1287198435.db2.gz VSOHFQNTOIIPGY-GFCCVEGCSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001603051355 1287198474 /nfs/dbraw/zinc/19/84/74/1287198474.db2.gz HWIFEDMUBGCGAH-SFHVURJKSA-N -1 1 368.445 0.825 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cc[nH]n1 ZINC001605542824 1287993464 /nfs/dbraw/zinc/99/34/64/1287993464.db2.gz XWRFBKHHDQVTIH-GFCCVEGCSA-N -1 1 366.374 0.549 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001605557943 1288003568 /nfs/dbraw/zinc/00/35/68/1288003568.db2.gz WHLYBWJDFYYNDU-PWSUYJOCSA-N -1 1 355.406 0.552 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001605557943 1288003576 /nfs/dbraw/zinc/00/35/76/1288003576.db2.gz WHLYBWJDFYYNDU-PWSUYJOCSA-N -1 1 355.406 0.552 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001605578130 1288017158 /nfs/dbraw/zinc/01/71/58/1288017158.db2.gz GHKIDVOBZLEIHM-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001605578130 1288017164 /nfs/dbraw/zinc/01/71/64/1288017164.db2.gz GHKIDVOBZLEIHM-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001609445858 1289155805 /nfs/dbraw/zinc/15/58/05/1289155805.db2.gz XVBVLKVJNJTPBQ-UHFFFAOYSA-N -1 1 371.292 0.929 20 30 FCEDMM CN(C)c1c(C=[NH+][N-]c2cccc(F)c2C(=O)[O-])c(=O)n(C)c(=O)n1C ZINC001606044062 1288145586 /nfs/dbraw/zinc/14/55/86/1288145586.db2.gz YJOKWQQDIWLXKT-UHFFFAOYSA-N -1 1 363.349 0.433 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC001606166853 1288195698 /nfs/dbraw/zinc/19/56/98/1288195698.db2.gz XDCSUPLGUUFKHE-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC001606166853 1288195701 /nfs/dbraw/zinc/19/57/01/1288195701.db2.gz XDCSUPLGUUFKHE-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cn1c(=O)[nH]c(N[C@@H]2CCc3cc(C#N)ccc32)c(-c2nn[n-]n2)c1=O ZINC001606206440 1288210872 /nfs/dbraw/zinc/21/08/72/1288210872.db2.gz XYBKSOFVXBIUOK-LLVKDONJSA-N -1 1 350.342 0.637 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606350800 1288267162 /nfs/dbraw/zinc/26/71/62/1288267162.db2.gz FRMKRMSWLQERDW-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606350800 1288267164 /nfs/dbraw/zinc/26/71/64/1288267164.db2.gz FRMKRMSWLQERDW-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001606351163 1288268568 /nfs/dbraw/zinc/26/85/68/1288268568.db2.gz PDCGLPLHJROQBU-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001606351163 1288268571 /nfs/dbraw/zinc/26/85/71/1288268571.db2.gz PDCGLPLHJROQBU-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CCS(=O)(=O)Cc1ccccc1 ZINC001606355966 1288270300 /nfs/dbraw/zinc/27/03/00/1288270300.db2.gz ZWKWMMNNLBRBBE-UHFFFAOYSA-N -1 1 358.387 0.132 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCS(=O)(=O)Cc1ccccc1 ZINC001606355966 1288270303 /nfs/dbraw/zinc/27/03/03/1288270303.db2.gz ZWKWMMNNLBRBBE-UHFFFAOYSA-N -1 1 358.387 0.132 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCn1c2ccccc2[nH]c1=O ZINC001606355893 1288270506 /nfs/dbraw/zinc/27/05/06/1288270506.db2.gz VPZWTPCBBNYCMH-UHFFFAOYSA-N -1 1 350.346 0.663 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCCn1c2ccccc2[nH]c1=O ZINC001606355893 1288270511 /nfs/dbraw/zinc/27/05/11/1288270511.db2.gz VPZWTPCBBNYCMH-UHFFFAOYSA-N -1 1 350.346 0.663 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001606355676 1288270662 /nfs/dbraw/zinc/27/06/62/1288270662.db2.gz KYCDDDFGVVQXHP-UHFFFAOYSA-N -1 1 358.749 0.990 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001606355676 1288270669 /nfs/dbraw/zinc/27/06/69/1288270669.db2.gz KYCDDDFGVVQXHP-UHFFFAOYSA-N -1 1 358.749 0.990 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001606364155 1288274650 /nfs/dbraw/zinc/27/46/50/1288274650.db2.gz YLNXTBBKLBTIDD-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001606364155 1288274652 /nfs/dbraw/zinc/27/46/52/1288274652.db2.gz YLNXTBBKLBTIDD-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1nc(N2CCN(c3cc(Cl)ccn3)CC2)cnc1-c1nnn[n-]1 ZINC001606388922 1288283413 /nfs/dbraw/zinc/28/34/13/1288283413.db2.gz FORRWXPMUIRLTR-UHFFFAOYSA-N -1 1 368.792 0.903 20 30 FCEDMM N#Cc1nc(N2CCN(c3cc(Cl)ccn3)CC2)cnc1-c1nn[n-]n1 ZINC001606388922 1288283422 /nfs/dbraw/zinc/28/34/22/1288283422.db2.gz FORRWXPMUIRLTR-UHFFFAOYSA-N -1 1 368.792 0.903 20 30 FCEDMM N#Cc1ncc(N2CCN(c3cc(Cl)ccn3)CC2)nc1-c1nn[n-]n1 ZINC001606397347 1288287047 /nfs/dbraw/zinc/28/70/47/1288287047.db2.gz ONTJBALDWIRPEU-UHFFFAOYSA-N -1 1 368.792 0.903 20 30 FCEDMM COC(=O)[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C(=O)[O-] ZINC001606425968 1288307761 /nfs/dbraw/zinc/30/77/61/1288307761.db2.gz OYYBQDCELKWSEZ-OLZOCXBDSA-N -1 1 351.403 0.477 20 30 FCEDMM COC(=O)[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001606425590 1288308159 /nfs/dbraw/zinc/30/81/59/1288308159.db2.gz LLSAVHVKVGZSSW-ZNMIVQPWSA-N -1 1 357.366 0.469 20 30 FCEDMM O=C(C#CC1CC1)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001606457076 1288328163 /nfs/dbraw/zinc/32/81/63/1288328163.db2.gz HUZAAFRGAGMYRG-UHFFFAOYSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001606457076 1288328167 /nfs/dbraw/zinc/32/81/67/1288328167.db2.gz HUZAAFRGAGMYRG-UHFFFAOYSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(NCCNC(=O)C1N=CC=CC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001607038614 1288607476 /nfs/dbraw/zinc/60/74/76/1288607476.db2.gz XPTQXEVJGKVZMB-KAMYIIQDSA-N -1 1 359.371 0.184 20 30 FCEDMM S=C(NCCN1CCOCC1)NN=Cc1csc(-c2nn[n-]n2)c1 ZINC001607111961 1288668251 /nfs/dbraw/zinc/66/82/51/1288668251.db2.gz QEZXUBSFEZAKOA-UHFFFAOYSA-N -1 1 366.476 0.058 20 30 FCEDMM C#CCC[C@H](O)CNC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001609019764 1288882736 /nfs/dbraw/zinc/88/27/36/1288882736.db2.gz FZDRJBADKNBFTR-ZDUSSCGKSA-N -1 1 373.417 0.270 20 30 FCEDMM C=CCN(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001609055747 1288890411 /nfs/dbraw/zinc/89/04/11/1288890411.db2.gz SWNNHFOXDYUJKF-UHFFFAOYSA-N -1 1 371.405 0.685 20 30 FCEDMM C=CCN(CCC#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001609055747 1288890414 /nfs/dbraw/zinc/89/04/14/1288890414.db2.gz SWNNHFOXDYUJKF-UHFFFAOYSA-N -1 1 371.405 0.685 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc1-c1nn[nH]n1 ZINC001609496512 1289179997 /nfs/dbraw/zinc/17/99/97/1289179997.db2.gz QLLCXBBDMHQFNY-MRVPVSSYSA-N -1 1 367.329 0.042 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001609496819 1289180065 /nfs/dbraw/zinc/18/00/65/1289180065.db2.gz IJHMERPLLHRNGI-LLVKDONJSA-N -1 1 350.342 0.055 20 30 FCEDMM N#Cc1ncn(CC(=O)NC[C@@H]2Cc3ccccc3O2)c1-c1nn[n-]n1 ZINC001609501157 1289182233 /nfs/dbraw/zinc/18/22/33/1289182233.db2.gz DNEGLEJJSJHPPP-NSHDSACASA-N -1 1 350.342 0.055 20 30 FCEDMM CN1CCN(c2ccccc2NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001624921203 1290305216 /nfs/dbraw/zinc/30/52/16/1290305216.db2.gz MJMYLDQRDFGAEP-UHFFFAOYSA-N -1 1 368.397 0.211 20 30 FCEDMM C[C@@H](CNC(=O)Cn1cc(C#N)c(=O)[n-]c1=O)N1CCc2ccccc2C1 ZINC001627423615 1290461891 /nfs/dbraw/zinc/46/18/91/1290461891.db2.gz ZQUGIVREOIJAOR-ZDUSSCGKSA-N -1 1 367.409 0.384 20 30 FCEDMM C=C(Cl)CN1CC[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H]1CC ZINC001087795803 842433225 /nfs/dbraw/zinc/43/32/25/842433225.db2.gz XYOJYDUENRZYCN-CMPLNLGQSA-N -1 1 350.810 0.753 20 30 FCEDMM C=CC[C@@H](NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)C(=O)[O-] ZINC001116906559 846801495 /nfs/dbraw/zinc/80/14/95/846801495.db2.gz MUGIJEWSJIIHFG-ZCFIWIBFSA-N -1 1 359.268 0.472 20 30 FCEDMM N=C(c1nonc1N)N([O-])C(=O)c1c[nH]c2ncc(Br)nc12 ZINC001156777253 849926972 /nfs/dbraw/zinc/92/69/72/849926972.db2.gz PWNJKPMLIMPJDI-UHFFFAOYSA-N -1 1 367.123 0.543 20 30 FCEDMM CC(C)(C)C(=O)Nc1ccc(C#N)nc1Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001160853020 850205991 /nfs/dbraw/zinc/20/59/91/850205991.db2.gz IUOMPNIDVGFVON-VIFPVBQESA-N -1 1 360.399 0.885 20 30 FCEDMM [NH3+]CCC[N@H+](C[C@H]([S-])OP(=O)([O-])[O-])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004552 850601918 /nfs/dbraw/zinc/60/19/18/850601918.db2.gz RDWHBKLMSPTMFN-MXWKQRLJSA-N -1 1 357.369 0.448 20 30 FCEDMM [NH3+]CCC[N@@H+](C[C@H]([S-])OP(=O)([O-])[O-])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004552 850601923 /nfs/dbraw/zinc/60/19/23/850601923.db2.gz RDWHBKLMSPTMFN-MXWKQRLJSA-N -1 1 357.369 0.448 20 30 FCEDMM CCN(CC)C(=O)C[C@H](C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001169457995 850625685 /nfs/dbraw/zinc/62/56/85/850625685.db2.gz YESKJYWFTGDXMG-WCQYABFASA-N -1 1 371.440 0.649 20 30 FCEDMM CCN(CC)C(=O)C[C@H](C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001169457995 850625689 /nfs/dbraw/zinc/62/56/89/850625689.db2.gz YESKJYWFTGDXMG-WCQYABFASA-N -1 1 371.440 0.649 20 30 FCEDMM N#CC1(NC(=O)[C@@]23C[C@@H]2CN(C(=O)c2c[nH]c(=S)[n-]c2=O)C3)CCC1 ZINC001278524126 862359169 /nfs/dbraw/zinc/35/91/69/862359169.db2.gz GIFBVPAVARGYNE-JDNHERCYSA-N -1 1 359.411 0.495 20 30 FCEDMM N#CC1(NC(=O)[C@]23C[C@H]2CCN3C(=O)c2c[nH]c(=S)[n-]c2=O)CCC1 ZINC001278525252 862360246 /nfs/dbraw/zinc/36/02/46/862360246.db2.gz YLSRVMZKDSAYLE-ABKXIKBNSA-N -1 1 359.411 0.638 20 30 FCEDMM Cc1cc([O-])c(C(=O)N[C@H](C#N)C(N)=O)cc1I ZINC001196138219 852898586 /nfs/dbraw/zinc/89/85/86/852898586.db2.gz IDVJKNQKZSQDSO-MRVPVSSYSA-N -1 1 359.123 0.413 20 30 FCEDMM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143024 857193606 /nfs/dbraw/zinc/19/36/06/857193606.db2.gz IYBAQEFGQVSUAL-VIFPVBQESA-N -1 1 353.287 0.686 20 30 FCEDMM CCN1C[C@@]23CN(Cc4ccc(C#N)cc4[O-])C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001233384747 857383895 /nfs/dbraw/zinc/38/38/95/857383895.db2.gz HHORDPZMMJYKDA-PVAVHDDUSA-N -1 1 363.439 0.641 20 30 FCEDMM C=C[C@@H]1C[C@]1(NC[C@@H](O)COCCCC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001252532705 857820645 /nfs/dbraw/zinc/82/06/45/857820645.db2.gz PMMDCQFUCZNBSA-XJKCOSOUSA-N -1 1 360.476 0.307 20 30 FCEDMM CCOC(=O)N1CC[C@@H](N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])C1 ZINC001256027014 858048598 /nfs/dbraw/zinc/04/85/98/858048598.db2.gz KRMOXZCDVBMBIW-GHMZBOCLSA-N -1 1 371.396 0.233 20 30 FCEDMM COC(=O)[C@H](Cc1cncn1C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260048244 858327637 /nfs/dbraw/zinc/32/76/37/858327637.db2.gz SVJHYJREGHTKBC-HNNXBMFYSA-N -1 1 362.411 0.495 20 30 FCEDMM COC(=O)N1CCC(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001261630324 858613787 /nfs/dbraw/zinc/61/37/87/858613787.db2.gz JIRVBNRMEKLKDL-UHFFFAOYSA-N -1 1 351.384 0.730 20 30 FCEDMM C=CCN1C[C@]2(CCN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)OCC1=O ZINC001273872892 860623454 /nfs/dbraw/zinc/62/34/54/860623454.db2.gz BHOPHLBDAJNBEW-HNNXBMFYSA-N -1 1 350.400 0.100 20 30 FCEDMM C=CCN1C[C@@]2(F)CN(C(=O)c3cnc(SC)[n-]c3=O)C[C@@]2(F)C1=O ZINC001274832741 860845366 /nfs/dbraw/zinc/84/53/66/860845366.db2.gz KHIPNAWPBCINNY-HUUCEWRRSA-N -1 1 370.381 0.805 20 30 FCEDMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC001309972851 866999169 /nfs/dbraw/zinc/99/91/69/866999169.db2.gz KTJAZLMFRLKYHZ-ZDUSSCGKSA-N -1 1 354.384 0.282 20 30 FCEDMM C[C@@H](NC(=O)C(C#N)Cn1[n-]c(C(F)(F)F)cc1=O)c1nncn1C ZINC001325200642 869812353 /nfs/dbraw/zinc/81/23/53/869812353.db2.gz LYHSLYCDSGUZTH-HTQZYQBOSA-N -1 1 357.296 0.753 20 30 FCEDMM C=CCN(CCOC)C(=O)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001332022790 873339083 /nfs/dbraw/zinc/33/90/83/873339083.db2.gz DYPXMAJLSQEVKW-CQSZACIVSA-N -1 1 365.352 0.317 20 30 FCEDMM C=C(C)CN(CC)C(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000735399745 944645835 /nfs/dbraw/zinc/64/58/35/944645835.db2.gz UNBMMSXMJFTRKR-UHFFFAOYSA-N -1 1 359.434 0.973 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573285542 946780773 /nfs/dbraw/zinc/78/07/73/946780773.db2.gz ZKFFIIDMWNEAOC-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573285542 946780778 /nfs/dbraw/zinc/78/07/78/946780778.db2.gz ZKFFIIDMWNEAOC-CHWSQXEVSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573286279 946800506 /nfs/dbraw/zinc/80/05/06/946800506.db2.gz YCXPJCFISUMGCE-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288047 946854402 /nfs/dbraw/zinc/85/44/02/946854402.db2.gz RWWRLKICFIUKLS-LBPRGKRZSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288047 946854412 /nfs/dbraw/zinc/85/44/12/946854412.db2.gz RWWRLKICFIUKLS-LBPRGKRZSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCOCCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573288289 946863454 /nfs/dbraw/zinc/86/34/54/946863454.db2.gz JGMKVVYUBRZVHL-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573288289 946863470 /nfs/dbraw/zinc/86/34/70/946863470.db2.gz JGMKVVYUBRZVHL-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573288509 946866520 /nfs/dbraw/zinc/86/65/20/946866520.db2.gz RFWJHPDIJDWHKE-AWEZNQCLSA-N -1 1 360.381 0.965 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573288509 946866523 /nfs/dbraw/zinc/86/65/23/946866523.db2.gz RFWJHPDIJDWHKE-AWEZNQCLSA-N -1 1 360.381 0.965 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288703 946875715 /nfs/dbraw/zinc/87/57/15/946875715.db2.gz YAICCIZAXGANGQ-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288703 946875724 /nfs/dbraw/zinc/87/57/24/946875724.db2.gz YAICCIZAXGANGQ-RYUDHWBXSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573289051 946881307 /nfs/dbraw/zinc/88/13/07/946881307.db2.gz ZYILDPAYRGPWJS-MRVPVSSYSA-N -1 1 369.838 0.567 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573289051 946881319 /nfs/dbraw/zinc/88/13/19/946881319.db2.gz ZYILDPAYRGPWJS-MRVPVSSYSA-N -1 1 369.838 0.567 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573289789 946891556 /nfs/dbraw/zinc/89/15/56/946891556.db2.gz CYRUKKHTBHIPAK-OAHLLOKOSA-N -1 1 374.408 0.576 20 30 FCEDMM 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/nfs/dbraw/zinc/12/86/16/949128616.db2.gz PGCCKMKEKSWBPI-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574696385 949128632 /nfs/dbraw/zinc/12/86/32/949128632.db2.gz PGCCKMKEKSWBPI-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](c1ccccc1F)[C@@H](O)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001575515672 949192380 /nfs/dbraw/zinc/19/23/80/949192380.db2.gz KFIYQFIFPQZVIJ-JMCQJSRRSA-N -1 1 356.321 0.704 20 30 FCEDMM CC(C)CC(=O)N1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001574109699 949326139 /nfs/dbraw/zinc/32/61/39/949326139.db2.gz AJGIENZYKAWJMH-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM CC(C)CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001574109711 949328512 /nfs/dbraw/zinc/32/85/12/949328512.db2.gz APIMJSDEBAPPKQ-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM CC(C)CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001574109711 949328534 /nfs/dbraw/zinc/32/85/34/949328534.db2.gz APIMJSDEBAPPKQ-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573802929 949431826 /nfs/dbraw/zinc/43/18/26/949431826.db2.gz MNSDXNWIHKUJNG-LLVKDONJSA-N -1 1 369.433 0.907 20 30 FCEDMM CC(C)(C)C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573802929 949431840 /nfs/dbraw/zinc/43/18/40/949431840.db2.gz MNSDXNWIHKUJNG-LLVKDONJSA-N -1 1 369.433 0.907 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001570951245 949735014 /nfs/dbraw/zinc/73/50/14/949735014.db2.gz KOLVESHDWSPWJD-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001570951245 949735030 /nfs/dbraw/zinc/73/50/30/949735030.db2.gz KOLVESHDWSPWJD-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1nc(N2CCN(c3cccc(F)c3)CC2)cnc1-c1nnn[n-]1 ZINC001570953563 949774499 /nfs/dbraw/zinc/77/44/99/949774499.db2.gz KUOSFOXYZLUUAA-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1nc(N2CCN(c3cccc(F)c3)CC2)cnc1-c1nn[n-]n1 ZINC001570953563 949774510 /nfs/dbraw/zinc/77/45/10/949774510.db2.gz KUOSFOXYZLUUAA-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)C[C@@H](O)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001570957281 949883120 /nfs/dbraw/zinc/88/31/20/949883120.db2.gz SIPOJYSFKBABIL-DGCLKSJQSA-N -1 1 352.358 0.425 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)C[C@@H](O)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001570957281 949883138 /nfs/dbraw/zinc/88/31/38/949883138.db2.gz SIPOJYSFKBABIL-DGCLKSJQSA-N -1 1 352.358 0.425 20 30 FCEDMM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573831487 950001748 /nfs/dbraw/zinc/00/17/48/950001748.db2.gz ZUYGFWRJFLXCST-SNVBAGLBSA-N -1 1 371.405 0.827 20 30 FCEDMM CC(C)(C)OC(=O)[C@H]1COCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001573851356 950290240 /nfs/dbraw/zinc/29/02/40/950290240.db2.gz VQQDZUDFBTXLMO-SNVBAGLBSA-N -1 1 358.362 0.075 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)nc1-c1nn[nH]n1 ZINC001570977192 950495973 /nfs/dbraw/zinc/49/59/73/950495973.db2.gz LLSIGTJEYIDQHZ-FSPLSTOPSA-N -1 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CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cc[nH]n1 ZINC001590648290 950961901 /nfs/dbraw/zinc/96/19/01/950961901.db2.gz FBYXXRKYJVCQTG-LLVKDONJSA-N -1 1 352.347 0.159 20 30 FCEDMM CCOC(=O)CON=C(C(=O)NC(C)(C)CCC(=O)[O-])c1ccn[nH]1 ZINC001590648412 950964290 /nfs/dbraw/zinc/96/42/90/950964290.db2.gz MAHWSPVZOLJZCA-UHFFFAOYSA-N -1 1 354.363 0.453 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575017519 950999523 /nfs/dbraw/zinc/99/95/23/950999523.db2.gz HCHBKYPYKSDKOG-VIFPVBQESA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575017519 950999543 /nfs/dbraw/zinc/99/95/43/950999543.db2.gz HCHBKYPYKSDKOG-VIFPVBQESA-N -1 1 352.362 0.334 20 30 FCEDMM COc1cccc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)c1 ZINC001571006608 951183722 /nfs/dbraw/zinc/18/37/22/951183722.db2.gz LWKQKSXNAYJOBO-UHFFFAOYSA-N -1 1 363.385 0.864 20 30 FCEDMM COc1cccc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)c1 ZINC001571006608 951183729 /nfs/dbraw/zinc/18/37/29/951183729.db2.gz LWKQKSXNAYJOBO-UHFFFAOYSA-N -1 1 363.385 0.864 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571009501 951210049 /nfs/dbraw/zinc/21/00/49/951210049.db2.gz MFRRLTMWDICJSZ-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571009501 951210056 /nfs/dbraw/zinc/21/00/56/951210056.db2.gz MFRRLTMWDICJSZ-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571009429 951210257 /nfs/dbraw/zinc/21/02/57/951210257.db2.gz LRLLXSDBQNFBGG-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571009429 951210262 /nfs/dbraw/zinc/21/02/62/951210262.db2.gz LRLLXSDBQNFBGG-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001571009921 951212298 /nfs/dbraw/zinc/21/22/98/951212298.db2.gz OBJVTERXUJVEDI-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571011095 951224387 /nfs/dbraw/zinc/22/43/87/951224387.db2.gz ZIGDRANKWRMHJA-SKDRFNHKSA-N -1 1 364.373 0.254 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571011095 951224403 /nfs/dbraw/zinc/22/44/03/951224403.db2.gz ZIGDRANKWRMHJA-SKDRFNHKSA-N -1 1 364.373 0.254 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)NCc2cncc(C#N)c2)cc1-c1nn[n-]n1 ZINC001571042318 951687399 /nfs/dbraw/zinc/68/73/99/951687399.db2.gz SHQYADGRYHNLCP-UHFFFAOYSA-N -1 1 368.382 0.886 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571057907 951896555 /nfs/dbraw/zinc/89/65/55/951896555.db2.gz AZRNECYFFUXTGP-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571057907 951896564 /nfs/dbraw/zinc/89/65/64/951896564.db2.gz AZRNECYFFUXTGP-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575134719 952111870 /nfs/dbraw/zinc/11/18/70/952111870.db2.gz OMTDQLGCRYSRDE-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575134719 952111880 /nfs/dbraw/zinc/11/18/80/952111880.db2.gz OMTDQLGCRYSRDE-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C#CCN(CC(=O)[O-])CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC001588419907 958197296 /nfs/dbraw/zinc/19/72/96/958197296.db2.gz HMQGQRQCDAEZON-UHFFFAOYSA-N -1 1 373.453 0.749 20 30 FCEDMM CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001573485129 958991620 /nfs/dbraw/zinc/99/16/20/958991620.db2.gz WCFWINLLZDGKDF-ROUUACIJSA-N -1 1 372.469 0.964 20 30 FCEDMM Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001605467664 973577332 /nfs/dbraw/zinc/57/73/32/973577332.db2.gz QYQIINLRCVSAQR-KOLCDFICSA-N -1 1 372.303 0.633 20 30 FCEDMM CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 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/nfs/dbraw/zinc/94/93/31/1270949331.db2.gz NJFRIGXMKOXRHF-GXTWGEPZSA-N -1 1 352.402 0.353 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573943042 1270949433 /nfs/dbraw/zinc/94/94/33/1270949433.db2.gz TXKTYWFJBUFEIS-CYBMUJFWSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573943042 1270949435 /nfs/dbraw/zinc/94/94/35/1270949435.db2.gz TXKTYWFJBUFEIS-CYBMUJFWSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574050333 1271036521 /nfs/dbraw/zinc/03/65/21/1271036521.db2.gz UQCOAFMUCQBKQU-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574050333 1271036528 /nfs/dbraw/zinc/03/65/28/1271036528.db2.gz UQCOAFMUCQBKQU-GFCCVEGCSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574052423 1271038398 /nfs/dbraw/zinc/03/83/98/1271038398.db2.gz TVZZSTBQTHNLHC-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574052423 1271038405 /nfs/dbraw/zinc/03/84/05/1271038405.db2.gz TVZZSTBQTHNLHC-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)N(C)C(=O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001574246050 1271115587 /nfs/dbraw/zinc/11/55/87/1271115587.db2.gz FQMWJOQQFSWWEQ-UHFFFAOYSA-N -1 1 355.406 0.612 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574545808 1271332703 /nfs/dbraw/zinc/33/27/03/1271332703.db2.gz NKAFRLKVCGJJLR-UWVGGRQHSA-N -1 1 366.389 0.287 20 30 FCEDMM C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574629478 1271427006 /nfs/dbraw/zinc/42/70/06/1271427006.db2.gz SNKUNWRJNKJHPQ-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574629478 1271427010 /nfs/dbraw/zinc/42/70/10/1271427010.db2.gz SNKUNWRJNKJHPQ-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574664363 1271467671 /nfs/dbraw/zinc/46/76/71/1271467671.db2.gz BADMIXVGDFJZJP-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574664363 1271467680 /nfs/dbraw/zinc/46/76/80/1271467680.db2.gz BADMIXVGDFJZJP-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574795152 1271532631 /nfs/dbraw/zinc/53/26/31/1271532631.db2.gz GLVUUHWQBJSFEZ-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574795152 1271532641 /nfs/dbraw/zinc/53/26/41/1271532641.db2.gz GLVUUHWQBJSFEZ-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cnc(C#N)c(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC001574811242 1271552004 /nfs/dbraw/zinc/55/20/04/1271552004.db2.gz LXGYCVJNCZXXIB-VIFPVBQESA-N -1 1 359.394 0.878 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@](C)(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580663690 1278665815 /nfs/dbraw/zinc/66/58/15/1278665815.db2.gz PEVWLQHRTWWCSE-PIGZYNQJSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@](C)(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580663690 1278665827 /nfs/dbraw/zinc/66/58/27/1278665827.db2.gz PEVWLQHRTWWCSE-PIGZYNQJSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580666735 1278669298 /nfs/dbraw/zinc/66/92/98/1278669298.db2.gz OVLIFOUQXYLVCJ-CMPLNLGQSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580666735 1278669307 /nfs/dbraw/zinc/66/93/07/1278669307.db2.gz OVLIFOUQXYLVCJ-CMPLNLGQSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001580669790 1278680725 /nfs/dbraw/zinc/68/07/25/1278680725.db2.gz FWNYJPOGSDUXCG-PWSUYJOCSA-N -1 1 355.406 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001580669790 1278680735 /nfs/dbraw/zinc/68/07/35/1278680735.db2.gz FWNYJPOGSDUXCG-PWSUYJOCSA-N -1 1 355.406 0.600 20 30 FCEDMM C[C@@H](O)CNC(=O)c1cccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001575482783 1272153712 /nfs/dbraw/zinc/15/37/12/1272153712.db2.gz UYTRMEILBSZKSB-SECBINFHSA-N -1 1 366.341 0.431 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580678800 1278700406 /nfs/dbraw/zinc/70/04/06/1278700406.db2.gz GGTGMXKOQYMRFP-DMDPSCGWSA-N -1 1 369.433 0.703 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C2)n1 ZINC001580678800 1278700420 /nfs/dbraw/zinc/70/04/20/1278700420.db2.gz GGTGMXKOQYMRFP-DMDPSCGWSA-N -1 1 369.433 0.703 20 30 FCEDMM C[C@]1(CNC(=O)C#CC2CC2)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575769903 1272426446 /nfs/dbraw/zinc/42/64/46/1272426446.db2.gz MHMPYOBCISPFJI-GOSISDBHSA-N -1 1 366.429 0.793 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580693177 1278733368 /nfs/dbraw/zinc/73/33/68/1278733368.db2.gz YHWJXBWXUAFOAW-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580693177 1278733374 /nfs/dbraw/zinc/73/33/74/1278733374.db2.gz YHWJXBWXUAFOAW-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576291224 1273102107 /nfs/dbraw/zinc/10/21/07/1273102107.db2.gz KHKDHXHUIPNPBG-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576291224 1273102109 /nfs/dbraw/zinc/10/21/09/1273102109.db2.gz KHKDHXHUIPNPBG-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM CC(C)[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001576358764 1273182424 /nfs/dbraw/zinc/18/24/24/1273182424.db2.gz BJCCAYYZCSQQCX-CWSCBRNRSA-N -1 1 373.421 0.534 20 30 FCEDMM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001576362931 1273183248 /nfs/dbraw/zinc/18/32/48/1273183248.db2.gz CWZJLEDUBGMNPK-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001576362931 1273183252 /nfs/dbraw/zinc/18/32/52/1273183252.db2.gz CWZJLEDUBGMNPK-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@H]1CN=C(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)S1 ZINC001576367343 1273191211 /nfs/dbraw/zinc/19/12/11/1273191211.db2.gz ZXAKZZGEUFZNKS-VIFPVBQESA-N -1 1 356.419 0.142 20 30 FCEDMM C[C@H]1CN=C(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)S1 ZINC001576367343 1273191214 /nfs/dbraw/zinc/19/12/14/1273191214.db2.gz ZXAKZZGEUFZNKS-VIFPVBQESA-N -1 1 356.419 0.142 20 30 FCEDMM CCC(CC)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001576724132 1273592251 /nfs/dbraw/zinc/59/22/51/1273592251.db2.gz BJQXNKKDWTVXAB-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM CCC(CC)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001576724132 1273592258 /nfs/dbraw/zinc/59/22/58/1273592258.db2.gz BJQXNKKDWTVXAB-UHFFFAOYSA-N -1 1 355.406 0.613 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580729122 1278821962 /nfs/dbraw/zinc/82/19/62/1278821962.db2.gz PBUDQIIMQMVMPK-SNVBAGLBSA-N -1 1 355.406 0.823 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580729122 1278821966 /nfs/dbraw/zinc/82/19/66/1278821966.db2.gz PBUDQIIMQMVMPK-SNVBAGLBSA-N -1 1 355.406 0.823 20 30 FCEDMM CC[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1CCO[C@@H](CC)C1 ZINC001577176577 1274224908 /nfs/dbraw/zinc/22/49/08/1274224908.db2.gz FFPYOCVOJRBVEN-GXSJLCMTSA-N -1 1 359.394 0.289 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001577523304 1274469844 /nfs/dbraw/zinc/46/98/44/1274469844.db2.gz QKJUJKVTFBHFNT-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001577523304 1274469848 /nfs/dbraw/zinc/46/98/48/1274469848.db2.gz QKJUJKVTFBHFNT-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001577623743 1274605020 /nfs/dbraw/zinc/60/50/20/1274605020.db2.gz QVMCMJCUASCQRJ-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001577623743 1274605028 /nfs/dbraw/zinc/60/50/28/1274605028.db2.gz QVMCMJCUASCQRJ-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)n1 ZINC001580764429 1278890686 /nfs/dbraw/zinc/89/06/86/1278890686.db2.gz UVZHKNLCLYSTDE-VIFPVBQESA-N -1 1 365.361 0.023 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)C2)n1 ZINC001580764429 1278890692 /nfs/dbraw/zinc/89/06/92/1278890692.db2.gz UVZHKNLCLYSTDE-VIFPVBQESA-N -1 1 365.361 0.023 20 30 FCEDMM CCOC(=O)[C@@]1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCOC1 ZINC001578243937 1275546143 /nfs/dbraw/zinc/54/61/43/1275546143.db2.gz FHEJQFDWZBEJMC-OAHLLOKOSA-N -1 1 358.362 0.300 20 30 FCEDMM CCOc1cccc(CN(CCO)c2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001578400787 1275774993 /nfs/dbraw/zinc/77/49/93/1275774993.db2.gz ZURRKRHUWMWMSR-UHFFFAOYSA-N -1 1 366.385 0.926 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001578576277 1276009649 /nfs/dbraw/zinc/00/96/49/1276009649.db2.gz AYUVHPLAZUWVJD-JQWIXIFHSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001578576277 1276009656 /nfs/dbraw/zinc/00/96/56/1276009656.db2.gz AYUVHPLAZUWVJD-JQWIXIFHSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578626261 1276070017 /nfs/dbraw/zinc/07/00/17/1276070017.db2.gz GFJVGOYVCGQFLG-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578626261 1276070025 /nfs/dbraw/zinc/07/00/25/1276070025.db2.gz GFJVGOYVCGQFLG-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001578655356 1276106039 /nfs/dbraw/zinc/10/60/39/1276106039.db2.gz MXDUEISDMALHMW-MNOVXSKESA-N -1 1 355.406 0.782 20 30 FCEDMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001578655356 1276106042 /nfs/dbraw/zinc/10/60/42/1276106042.db2.gz MXDUEISDMALHMW-MNOVXSKESA-N -1 1 355.406 0.782 20 30 FCEDMM CN(C(=O)C#CC1CC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001578838346 1276357154 /nfs/dbraw/zinc/35/71/54/1276357154.db2.gz MJUPGGIBSRWSLE-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C(=O)C#CC1CC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001578838346 1276357157 /nfs/dbraw/zinc/35/71/57/1276357157.db2.gz MJUPGGIBSRWSLE-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578901100 1276441850 /nfs/dbraw/zinc/44/18/50/1276441850.db2.gz LFOGAGJWZGBQFG-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578901100 1276441852 /nfs/dbraw/zinc/44/18/52/1276441852.db2.gz LFOGAGJWZGBQFG-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001578911977 1276451991 /nfs/dbraw/zinc/45/19/91/1276451991.db2.gz RREXPTHOQOYICK-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001578911977 1276451992 /nfs/dbraw/zinc/45/19/92/1276451992.db2.gz RREXPTHOQOYICK-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C)c1nc(Cl)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)s1 ZINC001579001887 1276571470 /nfs/dbraw/zinc/57/14/70/1276571470.db2.gz IZDSYUVBIULGLL-UHFFFAOYSA-N -1 1 364.782 0.890 20 30 FCEDMM CN(CCCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579117966 1276790404 /nfs/dbraw/zinc/79/04/04/1276790404.db2.gz VSFVOBCCSMLTRL-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001579293798 1277117455 /nfs/dbraw/zinc/11/74/55/1277117455.db2.gz ITRNGMYZXNNTID-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001579293798 1277117458 /nfs/dbraw/zinc/11/74/58/1277117458.db2.gz ITRNGMYZXNNTID-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM COC(=O)C1(C#N)CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC001579435773 1277306395 /nfs/dbraw/zinc/30/63/95/1277306395.db2.gz JVHXVDOOARFHKC-UHFFFAOYSA-N -1 1 359.346 0.011 20 30 FCEDMM COC(=O)C1(C#N)CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC001579435773 1277306406 /nfs/dbraw/zinc/30/64/06/1277306406.db2.gz JVHXVDOOARFHKC-UHFFFAOYSA-N -1 1 359.346 0.011 20 30 FCEDMM COC(=O)CN(CCC(F)(F)F)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579449094 1277338839 /nfs/dbraw/zinc/33/88/39/1277338839.db2.gz IUHQHYIVDOHEGS-UHFFFAOYSA-N -1 1 356.268 0.460 20 30 FCEDMM COC(=O)c1ccc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001579481549 1277390348 /nfs/dbraw/zinc/39/03/48/1277390348.db2.gz UPPISGGQNWHYMX-UHFFFAOYSA-N -1 1 352.314 0.429 20 30 FCEDMM COC(=O)c1ccc2c(c1)CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001579486264 1277398161 /nfs/dbraw/zinc/39/81/61/1277398161.db2.gz QNLFHRDVCIGISN-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COC(=O)c1ccc2c(c1)CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001579486264 1277398172 /nfs/dbraw/zinc/39/81/72/1277398172.db2.gz QNLFHRDVCIGISN-UHFFFAOYSA-N -1 1 362.353 0.878 20 30 FCEDMM COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C ZINC001579618175 1277663505 /nfs/dbraw/zinc/66/35/05/1277663505.db2.gz JDGIFDQKWUVITB-OCCSQVGLSA-N -1 1 357.418 0.427 20 30 FCEDMM CC(C)(C)OC(=O)[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C1CC1 ZINC001603083289 1287306200 /nfs/dbraw/zinc/30/62/00/1287306200.db2.gz WLOZYSWTPZBEPT-VIFPVBQESA-N -1 1 358.362 0.768 20 30 FCEDMM COCc1nc(Cl)cc(N(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)n1 ZINC001579840057 1277930179 /nfs/dbraw/zinc/93/01/79/1277930179.db2.gz IOFXIKYEBONIOF-UHFFFAOYSA-N -1 1 358.753 0.886 20 30 FCEDMM COCc1nc(Cl)cc(N(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)n1 ZINC001579840057 1277930182 /nfs/dbraw/zinc/93/01/82/1277930182.db2.gz IOFXIKYEBONIOF-UHFFFAOYSA-N -1 1 358.753 0.886 20 30 FCEDMM COc1cc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c(F)cc1C#N ZINC001579932460 1277968458 /nfs/dbraw/zinc/96/84/58/1277968458.db2.gz JWSXLVNQPAIABF-UHFFFAOYSA-N -1 1 372.324 0.299 20 30 FCEDMM COc1cc2c(cc1O)CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001579939579 1277970941 /nfs/dbraw/zinc/97/09/41/1277970941.db2.gz WGUUIBBPXYLJJL-UHFFFAOYSA-N -1 1 350.342 0.805 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603188667 1287324879 /nfs/dbraw/zinc/32/48/79/1287324879.db2.gz BFAXZGZHTBJAAD-ZDUSSCGKSA-N -1 1 354.418 0.649 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001603190060 1287326777 /nfs/dbraw/zinc/32/67/77/1287326777.db2.gz UPIHXWGCPJIZBY-GFCCVEGCSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001603190060 1287326781 /nfs/dbraw/zinc/32/67/81/1287326781.db2.gz UPIHXWGCPJIZBY-GFCCVEGCSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189708 1287327146 /nfs/dbraw/zinc/32/71/46/1287327146.db2.gz QTKDTHAZDJZNIA-KRWDZBQOSA-N -1 1 354.418 0.389 20 30 FCEDMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C#N ZINC001581198961 1279498711 /nfs/dbraw/zinc/49/87/11/1279498711.db2.gz CHUCMCKDBILKJS-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C#N ZINC001581198961 1279498713 /nfs/dbraw/zinc/49/87/13/1279498713.db2.gz CHUCMCKDBILKJS-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C#CC1CC1 ZINC001603325832 1287357599 /nfs/dbraw/zinc/35/75/99/1287357599.db2.gz RZMREJWGJWOIAC-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)n1 ZINC001581754416 1280458895 /nfs/dbraw/zinc/45/88/95/1280458895.db2.gz SKMYBUCRUQTYDR-UHFFFAOYSA-N -1 1 358.362 0.470 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)n1 ZINC001581754416 1280458899 /nfs/dbraw/zinc/45/88/99/1280458899.db2.gz SKMYBUCRUQTYDR-UHFFFAOYSA-N -1 1 358.362 0.470 20 30 FCEDMM Cn1ncc2c1CC(C)(C)CN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001581833850 1280584174 /nfs/dbraw/zinc/58/41/74/1280584174.db2.gz IBTXYAQCHQQBMD-UHFFFAOYSA-N -1 1 350.390 0.851 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001581858437 1280607780 /nfs/dbraw/zinc/60/77/80/1280607780.db2.gz GENKDZDFBWFZRF-NSHDSACASA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001581858437 1280607786 /nfs/dbraw/zinc/60/77/86/1280607786.db2.gz GENKDZDFBWFZRF-NSHDSACASA-N -1 1 373.446 0.706 20 30 FCEDMM N#CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)CCCC1 ZINC001581857357 1280609594 /nfs/dbraw/zinc/60/95/94/1280609594.db2.gz ZAYYKPBCTPCVOA-UHFFFAOYSA-N -1 1 357.378 0.449 20 30 FCEDMM N#CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)CCCC1 ZINC001581857357 1280609605 /nfs/dbraw/zinc/60/96/05/1280609605.db2.gz ZAYYKPBCTPCVOA-UHFFFAOYSA-N -1 1 357.378 0.449 20 30 FCEDMM N#CCc1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001581859511 1280611423 /nfs/dbraw/zinc/61/14/23/1280611423.db2.gz KFKNYIGJFPFLAI-UHFFFAOYSA-N -1 1 361.412 0.868 20 30 FCEDMM N#CCc1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001581859511 1280611433 /nfs/dbraw/zinc/61/14/33/1280611433.db2.gz KFKNYIGJFPFLAI-UHFFFAOYSA-N -1 1 361.412 0.868 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@]2(O)CCc3ccccc3C2)nc1-c1nn[nH]n1 ZINC001581860377 1280612581 /nfs/dbraw/zinc/61/25/81/1280612581.db2.gz XPDZHGQLWMVILF-MRXNPFEDSA-N -1 1 350.342 0.320 20 30 FCEDMM N#C[C@H]1C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001581860125 1280613775 /nfs/dbraw/zinc/61/37/75/1280613775.db2.gz LLHULZCKNPCSFZ-GHMZBOCLSA-N -1 1 354.374 0.540 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001581865629 1280620220 /nfs/dbraw/zinc/62/02/20/1280620220.db2.gz MNNHODBGGVXMBU-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001581865629 1280620227 /nfs/dbraw/zinc/62/02/27/1280620227.db2.gz MNNHODBGGVXMBU-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581866623 1280621082 /nfs/dbraw/zinc/62/10/82/1280621082.db2.gz MOFJDQBDYPMARV-UHFFFAOYSA-N -1 1 373.373 0.892 20 30 FCEDMM N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581866623 1280621090 /nfs/dbraw/zinc/62/10/90/1280621090.db2.gz MOFJDQBDYPMARV-UHFFFAOYSA-N -1 1 373.373 0.892 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)[nH]1 ZINC001581867845 1280622623 /nfs/dbraw/zinc/62/26/23/1280622623.db2.gz YSLXNBWGFGQAJI-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)[nH]1 ZINC001581867845 1280622628 /nfs/dbraw/zinc/62/26/28/1280622628.db2.gz YSLXNBWGFGQAJI-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccnc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)c1 ZINC001581877216 1280632426 /nfs/dbraw/zinc/63/24/26/1280632426.db2.gz XFQHMRVDWCFDQD-UHFFFAOYSA-N -1 1 359.357 0.122 20 30 FCEDMM N#Cc1nc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581878611 1280634881 /nfs/dbraw/zinc/63/48/81/1280634881.db2.gz UBRWUPUDEXADTE-ZETCQYMHSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1nc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581878611 1280634891 /nfs/dbraw/zinc/63/48/91/1280634891.db2.gz UBRWUPUDEXADTE-ZETCQYMHSA-N -1 1 367.295 0.033 20 30 FCEDMM N#Cc1nc(N2CCN(c3ccc(F)cn3)CC2)cnc1-c1nnn[n-]1 ZINC001581879244 1280637482 /nfs/dbraw/zinc/63/74/82/1280637482.db2.gz CVLOZWXKKSEZFR-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1nc(N2CCN(c3ccc(F)cn3)CC2)cnc1-c1nn[n-]n1 ZINC001581879244 1280637494 /nfs/dbraw/zinc/63/74/94/1280637494.db2.gz CVLOZWXKKSEZFR-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1nc(NCCc2ccc3c(c2)OCCO3)cnc1-c1nnn[n-]1 ZINC001581881272 1280640303 /nfs/dbraw/zinc/64/03/03/1280640303.db2.gz SXGRMNKQZNJKGP-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM N#Cc1nc(NCCc2ccc3c(c2)OCCO3)cnc1-c1nn[n-]n1 ZINC001581881272 1280640318 /nfs/dbraw/zinc/64/03/18/1280640318.db2.gz SXGRMNKQZNJKGP-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM N#Cc1ncc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)nc1-c1nn[n-]n1 ZINC001581881862 1280641246 /nfs/dbraw/zinc/64/12/46/1280641246.db2.gz CQYUUYARQXCPRF-YVEFUNNKSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1ncc(N2CCC[C@H]2C(=O)NCc2ccco2)nc1-c1nn[n-]n1 ZINC001581881924 1280642430 /nfs/dbraw/zinc/64/24/30/1280642430.db2.gz FKJDOLSJOKCPLM-LBPRGKRZSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1ncc(N2CCN(c3cccc(F)c3)C(=O)C2)nc1-c1nn[n-]n1 ZINC001581882248 1280643139 /nfs/dbraw/zinc/64/31/39/1280643139.db2.gz QWEIDBHSPUYAHE-UHFFFAOYSA-N -1 1 365.332 0.521 20 30 FCEDMM N#Cc1ncc(NCCc2ccc3c(c2)OCCO3)nc1-c1nn[n-]n1 ZINC001581884301 1280649957 /nfs/dbraw/zinc/64/99/57/1280649957.db2.gz TXLKENABAXYDSA-UHFFFAOYSA-N -1 1 350.342 0.954 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001581912545 1280714761 /nfs/dbraw/zinc/71/47/61/1280714761.db2.gz PKXRWQCRUICGJV-MRVPVSSYSA-N -1 1 367.822 0.279 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001581912545 1280714767 /nfs/dbraw/zinc/71/47/67/1280714767.db2.gz PKXRWQCRUICGJV-MRVPVSSYSA-N -1 1 367.822 0.279 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603643573 1287454825 /nfs/dbraw/zinc/45/48/25/1287454825.db2.gz REIORERLLZRUPG-BDAKNGLRSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603643573 1287454836 /nfs/dbraw/zinc/45/48/36/1287454836.db2.gz REIORERLLZRUPG-BDAKNGLRSA-N -1 1 369.341 0.861 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001603853511 1287520656 /nfs/dbraw/zinc/52/06/56/1287520656.db2.gz QVHVOIFATIEQAQ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001603853511 1287520659 /nfs/dbraw/zinc/52/06/59/1287520659.db2.gz QVHVOIFATIEQAQ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C#C[C@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001588324985 1282418835 /nfs/dbraw/zinc/41/88/35/1282418835.db2.gz BXRCJTNVCWARHO-LBPRGKRZSA-N -1 1 350.386 0.944 20 30 FCEDMM C#C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1 ZINC001588328202 1282419744 /nfs/dbraw/zinc/41/97/44/1282419744.db2.gz AURZPIQOOAYMJG-NSHDSACASA-N -1 1 355.333 0.190 20 30 FCEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC001588330049 1282421579 /nfs/dbraw/zinc/42/15/79/1282421579.db2.gz UCLDYHQHUBCBNX-GHMZBOCLSA-N -1 1 360.399 0.600 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001588328624 1282421714 /nfs/dbraw/zinc/42/17/14/1282421714.db2.gz MFUQESFRKAHYQJ-MNOVXSKESA-N -1 1 353.429 0.528 20 30 FCEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC001588330237 1282421846 /nfs/dbraw/zinc/42/18/46/1282421846.db2.gz XWKVHZVMUMGXSO-GFCCVEGCSA-N -1 1 374.426 0.847 20 30 FCEDMM C#C[C@H]1CCCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2CCOC)C1 ZINC001588332589 1282425097 /nfs/dbraw/zinc/42/50/97/1282425097.db2.gz NIZFEICGNPGQTQ-NSHDSACASA-N -1 1 368.405 0.344 20 30 FCEDMM C#CC[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001588334295 1282426653 /nfs/dbraw/zinc/42/66/53/1282426653.db2.gz SKBSYXZIHGUQHW-CYBMUJFWSA-N -1 1 365.353 0.010 20 30 FCEDMM C#CCC1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001588335631 1282427389 /nfs/dbraw/zinc/42/73/89/1282427389.db2.gz SSPVEJYFECDQLD-UHFFFAOYSA-N -1 1 365.390 0.545 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338163 1282430710 /nfs/dbraw/zinc/43/07/10/1282430710.db2.gz AFYJKZFBJHZBIM-UONOGXRCSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001588340944 1282435922 /nfs/dbraw/zinc/43/59/22/1282435922.db2.gz NHOCPNPTCRFFQA-BZPMIXESSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001588340944 1282435928 /nfs/dbraw/zinc/43/59/28/1282435928.db2.gz NHOCPNPTCRFFQA-BZPMIXESSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588341920 1282437638 /nfs/dbraw/zinc/43/76/38/1282437638.db2.gz SNAABZHQQFNIJP-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588341920 1282437643 /nfs/dbraw/zinc/43/76/43/1282437643.db2.gz SNAABZHQQFNIJP-ZDUSSCGKSA-N -1 1 372.433 0.106 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001588341878 1282437913 /nfs/dbraw/zinc/43/79/13/1282437913.db2.gz AEFUYCCWJCWQLD-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001588341878 1282437917 /nfs/dbraw/zinc/43/79/17/1282437917.db2.gz AEFUYCCWJCWQLD-TZMCWYRMSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588343914 1282439994 /nfs/dbraw/zinc/43/99/94/1282439994.db2.gz WRDCYXFQRCKDBX-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588343914 1282440000 /nfs/dbraw/zinc/44/00/00/1282440000.db2.gz WRDCYXFQRCKDBX-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588345247 1282440923 /nfs/dbraw/zinc/44/09/23/1282440923.db2.gz WPUWOCHOLYLZIY-JOCQHMNTSA-N -1 1 354.418 0.721 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2ccc(-c3nnn[n-]3)nc2)n1CC ZINC001588350130 1282444009 /nfs/dbraw/zinc/44/40/09/1282444009.db2.gz DDKMDRHVBQBKHK-UHFFFAOYSA-N -1 1 361.413 0.927 20 30 FCEDMM C#CCN(CC#CC)c1nnc(Cc2ccc(-c3nn[n-]n3)nc2)n1CC ZINC001588350130 1282444014 /nfs/dbraw/zinc/44/40/14/1282444014.db2.gz DDKMDRHVBQBKHK-UHFFFAOYSA-N -1 1 361.413 0.927 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588354837 1282451605 /nfs/dbraw/zinc/45/16/05/1282451605.db2.gz AXMHSDQOCZRYKO-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588355532 1282455383 /nfs/dbraw/zinc/45/53/83/1282455383.db2.gz JIGLQTXVBKPMBD-GHMZBOCLSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355867 1282457785 /nfs/dbraw/zinc/45/77/85/1282457785.db2.gz OKWGEQMSWGNMIH-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355867 1282457791 /nfs/dbraw/zinc/45/77/91/1282457791.db2.gz OKWGEQMSWGNMIH-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356923 1282462886 /nfs/dbraw/zinc/46/28/86/1282462886.db2.gz HXROVDKIXORKJT-SRVKXCTJSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356923 1282462892 /nfs/dbraw/zinc/46/28/92/1282462892.db2.gz HXROVDKIXORKJT-SRVKXCTJSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588357003 1282463060 /nfs/dbraw/zinc/46/30/60/1282463060.db2.gz HZATUFGCIRUVQW-STQMWFEESA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588357003 1282463067 /nfs/dbraw/zinc/46/30/67/1282463067.db2.gz HZATUFGCIRUVQW-STQMWFEESA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588358287 1282469594 /nfs/dbraw/zinc/46/95/94/1282469594.db2.gz QHPVIQXNYRUMQL-GFCCVEGCSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001588358659 1282470079 /nfs/dbraw/zinc/47/00/79/1282470079.db2.gz ZNTNOKNVWUKBFO-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001588358659 1282470088 /nfs/dbraw/zinc/47/00/88/1282470088.db2.gz ZNTNOKNVWUKBFO-LBPRGKRZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588358642 1282470180 /nfs/dbraw/zinc/47/01/80/1282470180.db2.gz ULVOEDTXSCQUGQ-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588358642 1282470190 /nfs/dbraw/zinc/47/01/90/1282470190.db2.gz ULVOEDTXSCQUGQ-STQMWFEESA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588360823 1282480473 /nfs/dbraw/zinc/48/04/73/1282480473.db2.gz WKXNKYUPODVFPZ-SMDDNHRTSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588360823 1282480476 /nfs/dbraw/zinc/48/04/76/1282480476.db2.gz WKXNKYUPODVFPZ-SMDDNHRTSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588360820 1282480926 /nfs/dbraw/zinc/48/09/26/1282480926.db2.gz WKXNKYUPODVFPZ-BXUZGUMPSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588360820 1282480935 /nfs/dbraw/zinc/48/09/35/1282480935.db2.gz WKXNKYUPODVFPZ-BXUZGUMPSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361189 1282482651 /nfs/dbraw/zinc/48/26/51/1282482651.db2.gz GVFHHLNRPQEZSR-ZDUSSCGKSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOc1ccc(F)cc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588361861 1282485281 /nfs/dbraw/zinc/48/52/81/1282485281.db2.gz LEPXLPRHNUXQNI-VIFPVBQESA-N -1 1 356.321 0.809 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364715 1282491204 /nfs/dbraw/zinc/49/12/04/1282491204.db2.gz LGYGCNSTGHAESX-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364715 1282491208 /nfs/dbraw/zinc/49/12/08/1282491208.db2.gz LGYGCNSTGHAESX-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588364430 1282491567 /nfs/dbraw/zinc/49/15/67/1282491567.db2.gz FGLKZPQYLUZFFR-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588364430 1282491575 /nfs/dbraw/zinc/49/15/75/1282491575.db2.gz FGLKZPQYLUZFFR-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588364827 1282491899 /nfs/dbraw/zinc/49/18/99/1282491899.db2.gz NHNAYVHNIDQSFV-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588364827 1282491909 /nfs/dbraw/zinc/49/19/09/1282491909.db2.gz NHNAYVHNIDQSFV-LBPRGKRZSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001588370297 1282493796 /nfs/dbraw/zinc/49/37/96/1282493796.db2.gz YRGWVWHEOVMBAP-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001588370297 1282493800 /nfs/dbraw/zinc/49/38/00/1282493800.db2.gz YRGWVWHEOVMBAP-TXEJJXNPSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001588380289 1282495148 /nfs/dbraw/zinc/49/51/48/1282495148.db2.gz AAJRKVLRXQNZGB-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001588380289 1282495158 /nfs/dbraw/zinc/49/51/58/1282495158.db2.gz AAJRKVLRXQNZGB-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001588379479 1282495957 /nfs/dbraw/zinc/49/59/57/1282495957.db2.gz HYQZNNYAVNTYKT-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)NCCCN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001588379479 1282495963 /nfs/dbraw/zinc/49/59/63/1282495963.db2.gz HYQZNNYAVNTYKT-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588391921 1282497433 /nfs/dbraw/zinc/49/74/33/1282497433.db2.gz RPLOQGXWVVEDFI-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588391921 1282497438 /nfs/dbraw/zinc/49/74/38/1282497438.db2.gz RPLOQGXWVVEDFI-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM CCOc1ccc(CN(C)C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001609244589 1289016592 /nfs/dbraw/zinc/01/65/92/1289016592.db2.gz LCSSKNRBZFBHCE-UHFFFAOYSA-N -1 1 366.385 0.992 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403247 1282500519 /nfs/dbraw/zinc/50/05/19/1282500519.db2.gz XYKSTOWPGINSBW-NWDGAFQWSA-N -1 1 360.422 0.367 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588443686 1282509274 /nfs/dbraw/zinc/50/92/74/1282509274.db2.gz WZYPTSFHRKKFGE-FZMZJTMJSA-N -1 1 358.406 0.556 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588443686 1282509283 /nfs/dbraw/zinc/50/92/83/1282509283.db2.gz WZYPTSFHRKKFGE-FZMZJTMJSA-N -1 1 358.406 0.556 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1 ZINC001588456698 1282511080 /nfs/dbraw/zinc/51/10/80/1282511080.db2.gz ZAQNKCNYAGKOBK-YPMHNXCESA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1 ZINC001588456698 1282511089 /nfs/dbraw/zinc/51/10/89/1282511089.db2.gz ZAQNKCNYAGKOBK-YPMHNXCESA-N -1 1 370.417 0.069 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001588474713 1282514632 /nfs/dbraw/zinc/51/46/32/1282514632.db2.gz GLYHHRTXTONZKF-TXEJJXNPSA-N -1 1 354.418 0.764 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001588474713 1282514643 /nfs/dbraw/zinc/51/46/43/1282514643.db2.gz GLYHHRTXTONZKF-TXEJJXNPSA-N -1 1 354.418 0.764 20 30 FCEDMM C=CC(C)(C)C(=O)NCCOCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588478114 1282515979 /nfs/dbraw/zinc/51/59/79/1282515979.db2.gz UTKXLOMWLURGGD-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCOCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588478114 1282515994 /nfs/dbraw/zinc/51/59/94/1282515994.db2.gz UTKXLOMWLURGGD-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001588483298 1282518955 /nfs/dbraw/zinc/51/89/55/1282518955.db2.gz FLOOIRIRLPILLZ-GFCCVEGCSA-N -1 1 356.434 0.988 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588483319 1282521050 /nfs/dbraw/zinc/52/10/50/1282521050.db2.gz FZVZKOWGBLJZSZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588483319 1282521058 /nfs/dbraw/zinc/52/10/58/1282521058.db2.gz FZVZKOWGBLJZSZ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588492784 1282521768 /nfs/dbraw/zinc/52/17/68/1282521768.db2.gz WORBCWOFCYCGPU-QFSBIZTOSA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588492149 1282521989 /nfs/dbraw/zinc/52/19/89/1282521989.db2.gz PAVIEIRNCFHULA-YVEFUNNKSA-N -1 1 372.433 0.320 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588492860 1282524317 /nfs/dbraw/zinc/52/43/17/1282524317.db2.gz XGJXBUWACOUDGA-MRXNPFEDSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588492860 1282524324 /nfs/dbraw/zinc/52/43/24/1282524324.db2.gz XGJXBUWACOUDGA-MRXNPFEDSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588497246 1282524901 /nfs/dbraw/zinc/52/49/01/1282524901.db2.gz YKTSSGPECSQIEK-AEMSQSNESA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588497246 1282524906 /nfs/dbraw/zinc/52/49/06/1282524906.db2.gz YKTSSGPECSQIEK-AEMSQSNESA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588496079 1282527273 /nfs/dbraw/zinc/52/72/73/1282527273.db2.gz MHUQKKJZOZLXGG-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588496079 1282527283 /nfs/dbraw/zinc/52/72/83/1282527283.db2.gz MHUQKKJZOZLXGG-INIZCTEOSA-N -1 1 360.422 0.756 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588495700 1282527335 /nfs/dbraw/zinc/52/73/35/1282527335.db2.gz IERJRBZNXLJIEQ-MRXNPFEDSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588495700 1282527343 /nfs/dbraw/zinc/52/73/43/1282527343.db2.gz IERJRBZNXLJIEQ-MRXNPFEDSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588498580 1282528763 /nfs/dbraw/zinc/52/87/63/1282528763.db2.gz BRUDVAKNWGOYLG-KRWDZBQOSA-N -1 1 374.449 0.302 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588498581 1282529264 /nfs/dbraw/zinc/52/92/64/1282529264.db2.gz BRUDVAKNWGOYLG-QGZVFWFLSA-N -1 1 374.449 0.302 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588498747 1282529365 /nfs/dbraw/zinc/52/93/65/1282529365.db2.gz CQSJHCKAFRHBQE-ZBEGNZNMSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588498747 1282529373 /nfs/dbraw/zinc/52/93/73/1282529373.db2.gz CQSJHCKAFRHBQE-ZBEGNZNMSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588499822 1282530897 /nfs/dbraw/zinc/53/08/97/1282530897.db2.gz MVJDYPYHTAJZIQ-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588499822 1282530906 /nfs/dbraw/zinc/53/09/06/1282530906.db2.gz MVJDYPYHTAJZIQ-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588499909 1282530984 /nfs/dbraw/zinc/53/09/84/1282530984.db2.gz ONWZWKHMVFWRQR-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588499909 1282530994 /nfs/dbraw/zinc/53/09/94/1282530994.db2.gz ONWZWKHMVFWRQR-SJKOYZFVSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588499662 1282531165 /nfs/dbraw/zinc/53/11/65/1282531165.db2.gz LXQMNMPPIFCXIP-PRDDCLIZSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588499662 1282531173 /nfs/dbraw/zinc/53/11/73/1282531173.db2.gz LXQMNMPPIFCXIP-PRDDCLIZSA-N -1 1 358.406 0.385 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588500297 1282531646 /nfs/dbraw/zinc/53/16/46/1282531646.db2.gz VBMWFAZQYXRVEZ-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588500297 1282531652 /nfs/dbraw/zinc/53/16/52/1282531652.db2.gz VBMWFAZQYXRVEZ-KRWDZBQOSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588500112 1282532139 /nfs/dbraw/zinc/53/21/39/1282532139.db2.gz QVTQMBSVMXOCPR-JKDFXYPNSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588500112 1282532144 /nfs/dbraw/zinc/53/21/44/1282532144.db2.gz QVTQMBSVMXOCPR-JKDFXYPNSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588500063 1282532369 /nfs/dbraw/zinc/53/23/69/1282532369.db2.gz QGPXVRQYRBUISJ-PRXAMGSTSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588500063 1282532382 /nfs/dbraw/zinc/53/23/82/1282532382.db2.gz QGPXVRQYRBUISJ-PRXAMGSTSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501029 1282533714 /nfs/dbraw/zinc/53/37/14/1282533714.db2.gz IKAAIZGQVWVYET-SJCJKPOMSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588501302 1282536358 /nfs/dbraw/zinc/53/63/58/1282536358.db2.gz MAXRFHRZPOWGJM-APPDUMDISA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588501302 1282536368 /nfs/dbraw/zinc/53/63/68/1282536368.db2.gz MAXRFHRZPOWGJM-APPDUMDISA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588501885 1282537977 /nfs/dbraw/zinc/53/79/77/1282537977.db2.gz PBDBCTXOOXAOGF-YVEFUNNKSA-N -1 1 372.433 0.777 20 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ZINC001588504372 1282542088 /nfs/dbraw/zinc/54/20/88/1282542088.db2.gz KHYJUSPLFLBTPF-MRXNPFEDSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588504372 1282542098 /nfs/dbraw/zinc/54/20/98/1282542098.db2.gz KHYJUSPLFLBTPF-MRXNPFEDSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588503636 1282543652 /nfs/dbraw/zinc/54/36/52/1282543652.db2.gz BJOJCKNZJFAISA-OGZRUICASA-N -1 1 358.406 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588503636 1282543662 /nfs/dbraw/zinc/54/36/62/1282543662.db2.gz BJOJCKNZJFAISA-OGZRUICASA-N -1 1 358.406 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001588504977 1282545658 /nfs/dbraw/zinc/54/56/58/1282545658.db2.gz NDPPCHUKNCPITC-BDJLRTHQSA-N -1 1 360.422 0.315 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505558 1282546546 /nfs/dbraw/zinc/54/65/46/1282546546.db2.gz RKAOQESEQPKNNL-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505558 1282546556 /nfs/dbraw/zinc/54/65/56/1282546556.db2.gz RKAOQESEQPKNNL-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588507064 1282548719 /nfs/dbraw/zinc/54/87/19/1282548719.db2.gz AOAGYGGROPCSIL-OHUAYANFSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588507064 1282548724 /nfs/dbraw/zinc/54/87/24/1282548724.db2.gz AOAGYGGROPCSIL-OHUAYANFSA-N -1 1 358.406 0.067 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588531727 1282562316 /nfs/dbraw/zinc/56/23/16/1282562316.db2.gz HDNXEGMEDMOYAT-LBPRGKRZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588546120 1282563481 /nfs/dbraw/zinc/56/34/81/1282563481.db2.gz YAIHFLGTPFGIKF-AWEZNQCLSA-N -1 1 367.417 0.945 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001588590489 1282577661 /nfs/dbraw/zinc/57/76/61/1282577661.db2.gz PAHQBRFVAZMRPY-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001588590489 1282577667 /nfs/dbraw/zinc/57/76/67/1282577667.db2.gz PAHQBRFVAZMRPY-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCC[C@H](C)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588593764 1282578938 /nfs/dbraw/zinc/57/89/38/1282578938.db2.gz FTBMHKXLYGQWTA-JTQLQIEISA-N -1 1 362.394 0.173 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588607933 1282581572 /nfs/dbraw/zinc/58/15/72/1282581572.db2.gz AKBLTAFGIVAFHJ-YRGRVCCFSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588607933 1282581582 /nfs/dbraw/zinc/58/15/82/1282581582.db2.gz AKBLTAFGIVAFHJ-YRGRVCCFSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588607928 1282582421 /nfs/dbraw/zinc/58/24/21/1282582421.db2.gz AJPAQIUZPNXPBD-CHWSQXEVSA-N -1 1 372.433 0.641 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588607928 1282582430 /nfs/dbraw/zinc/58/24/30/1282582430.db2.gz AJPAQIUZPNXPBD-CHWSQXEVSA-N -1 1 372.433 0.641 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588607937 1282582658 /nfs/dbraw/zinc/58/26/58/1282582658.db2.gz ALXVTFFZBQJGKL-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588607937 1282582671 /nfs/dbraw/zinc/58/26/71/1282582671.db2.gz ALXVTFFZBQJGKL-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608315 1282583365 /nfs/dbraw/zinc/58/33/65/1282583365.db2.gz JOUIPKFAVMNLBN-UPJWGTAASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608315 1282583375 /nfs/dbraw/zinc/58/33/75/1282583375.db2.gz JOUIPKFAVMNLBN-UPJWGTAASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588610374 1282587114 /nfs/dbraw/zinc/58/71/14/1282587114.db2.gz CQLOSYAMBPYOAW-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588610374 1282587123 /nfs/dbraw/zinc/58/71/23/1282587123.db2.gz CQLOSYAMBPYOAW-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588610283 1282588245 /nfs/dbraw/zinc/58/82/45/1282588245.db2.gz ACYCHBVHZVAMMC-CYBMUJFWSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588610283 1282588255 /nfs/dbraw/zinc/58/82/55/1282588255.db2.gz ACYCHBVHZVAMMC-CYBMUJFWSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588610321 1282588267 /nfs/dbraw/zinc/58/82/67/1282588267.db2.gz BASDIHKFOARKCU-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N(CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588610321 1282588276 /nfs/dbraw/zinc/58/82/76/1282588276.db2.gz BASDIHKFOARKCU-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588611054 1282589384 /nfs/dbraw/zinc/58/93/84/1282589384.db2.gz PUTPVAIWTGJXJX-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588611054 1282589393 /nfs/dbraw/zinc/58/93/93/1282589393.db2.gz PUTPVAIWTGJXJX-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588615746 1282594195 /nfs/dbraw/zinc/59/41/95/1282594195.db2.gz GJUZSFOOZFWNGH-BXUZGUMPSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588615746 1282594205 /nfs/dbraw/zinc/59/42/05/1282594205.db2.gz GJUZSFOOZFWNGH-BXUZGUMPSA-N -1 1 372.433 0.499 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588616354 1282596096 /nfs/dbraw/zinc/59/60/96/1282596096.db2.gz FDRIOILWJXMUBY-CYBMUJFWSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588616265 1282597249 /nfs/dbraw/zinc/59/72/49/1282597249.db2.gz CBRVODAMYIHWGJ-UHFFFAOYSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588616265 1282597258 /nfs/dbraw/zinc/59/72/58/1282597258.db2.gz CBRVODAMYIHWGJ-UHFFFAOYSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588617571 1282598941 /nfs/dbraw/zinc/59/89/41/1282598941.db2.gz WBTQUIGWTRLTLT-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588617571 1282598950 /nfs/dbraw/zinc/59/89/50/1282598950.db2.gz WBTQUIGWTRLTLT-QWHCGFSZSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588617063 1282599090 /nfs/dbraw/zinc/59/90/90/1282599090.db2.gz OXTBXMCZWQNNRD-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588617063 1282599096 /nfs/dbraw/zinc/59/90/96/1282599096.db2.gz OXTBXMCZWQNNRD-OLZOCXBDSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCOCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588617690 1282599126 /nfs/dbraw/zinc/59/91/26/1282599126.db2.gz XRJUPQSXZGMBSE-CYBMUJFWSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588665309 1282615889 /nfs/dbraw/zinc/61/58/89/1282615889.db2.gz JKZSQTWHESPGKI-GFCCVEGCSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588665309 1282615901 /nfs/dbraw/zinc/61/59/01/1282615901.db2.gz JKZSQTWHESPGKI-GFCCVEGCSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588666202 1282619043 /nfs/dbraw/zinc/61/90/43/1282619043.db2.gz CAOJNCUZGKUVDX-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588665538 1282619547 /nfs/dbraw/zinc/61/95/47/1282619547.db2.gz MQDNVRPUEKVKAG-CYBMUJFWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588665538 1282619559 /nfs/dbraw/zinc/61/95/59/1282619559.db2.gz MQDNVRPUEKVKAG-CYBMUJFWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N(C)CCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588666888 1282622616 /nfs/dbraw/zinc/62/26/16/1282622616.db2.gz OCYJUXDSEQSKAR-UHFFFAOYSA-N -1 1 351.436 0.729 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588667244 1282624968 /nfs/dbraw/zinc/62/49/68/1282624968.db2.gz SUZJYUMSYYYWIN-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588667244 1282624980 /nfs/dbraw/zinc/62/49/80/1282624980.db2.gz SUZJYUMSYYYWIN-VXGBXAGGSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588672651 1282628435 /nfs/dbraw/zinc/62/84/35/1282628435.db2.gz XTGJHOGGIBAKHE-STQMWFEESA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588674642 1282630465 /nfs/dbraw/zinc/63/04/65/1282630465.db2.gz QSJVNSPVRKGFOH-RYUDHWBXSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588674642 1282630479 /nfs/dbraw/zinc/63/04/79/1282630479.db2.gz QSJVNSPVRKGFOH-RYUDHWBXSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCCCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588680791 1282637231 /nfs/dbraw/zinc/63/72/31/1282637231.db2.gz DOFFKJRNYQFFMO-KRWDZBQOSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588683164 1282646115 /nfs/dbraw/zinc/64/61/15/1282646115.db2.gz YWPNBQOLXVYSEM-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001588699494 1282651222 /nfs/dbraw/zinc/65/12/22/1282651222.db2.gz JQFLVYOBVGUWJU-STQMWFEESA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001588699494 1282651232 /nfs/dbraw/zinc/65/12/32/1282651232.db2.gz JQFLVYOBVGUWJU-STQMWFEESA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CC[C@@H](COC)C1 ZINC001588699265 1282653669 /nfs/dbraw/zinc/65/36/69/1282653669.db2.gz HCQOYFFJKFXASW-LLVKDONJSA-N -1 1 368.405 0.574 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CC[C@@H](COC)C1 ZINC001588699265 1282653680 /nfs/dbraw/zinc/65/36/80/1282653680.db2.gz HCQOYFFJKFXASW-LLVKDONJSA-N -1 1 368.405 0.574 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001588709313 1282655545 /nfs/dbraw/zinc/65/55/45/1282655545.db2.gz QBAZPCBNAKFHEC-TUAOUCFPSA-N -1 1 369.437 0.765 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)C[C@H]1CC1(C)C ZINC001588709314 1282655749 /nfs/dbraw/zinc/65/57/49/1282655749.db2.gz QBJRPOPRJAIETD-LLVKDONJSA-N -1 1 369.437 0.766 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001588709310 1282655978 /nfs/dbraw/zinc/65/59/78/1282655978.db2.gz QBAZPCBNAKFHEC-QJPTWQEYSA-N -1 1 369.437 0.765 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(CC)CCC1CC1 ZINC001588708638 1282657651 /nfs/dbraw/zinc/65/76/51/1282657651.db2.gz KDZPLPCVWPFXOC-UHFFFAOYSA-N -1 1 369.437 0.910 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)C[C@@H]1CC1(C)C ZINC001588709315 1282657733 /nfs/dbraw/zinc/65/77/33/1282657733.db2.gz QBJRPOPRJAIETD-NSHDSACASA-N -1 1 369.437 0.766 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001588708597 1282658132 /nfs/dbraw/zinc/65/81/32/1282658132.db2.gz JKLUUYANVVRNHO-GHMZBOCLSA-N -1 1 373.400 0.468 20 30 FCEDMM C=CCn1cc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)nn1 ZINC001588716774 1282661828 /nfs/dbraw/zinc/66/18/28/1282661828.db2.gz LJOADTWBGIZLML-UHFFFAOYSA-N -1 1 373.402 0.397 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588718684 1282664131 /nfs/dbraw/zinc/66/41/31/1282664131.db2.gz PUDGKFOZAABFBY-WZRBSPASSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588718684 1282664139 /nfs/dbraw/zinc/66/41/39/1282664139.db2.gz PUDGKFOZAABFBY-WZRBSPASSA-N -1 1 358.406 0.507 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001588721295 1282664301 /nfs/dbraw/zinc/66/43/01/1282664301.db2.gz GGCSVOIBQJRLQO-RVMXOQNASA-N -1 1 368.401 0.037 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001588721295 1282664313 /nfs/dbraw/zinc/66/43/13/1282664313.db2.gz GGCSVOIBQJRLQO-RVMXOQNASA-N -1 1 368.401 0.037 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588725649 1282675518 /nfs/dbraw/zinc/67/55/18/1282675518.db2.gz JPXGQQKAOGKXAM-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588725649 1282675532 /nfs/dbraw/zinc/67/55/32/1282675532.db2.gz JPXGQQKAOGKXAM-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588740249 1282681681 /nfs/dbraw/zinc/68/16/81/1282681681.db2.gz KBLLPTOLQRJOMI-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588740249 1282681692 /nfs/dbraw/zinc/68/16/92/1282681692.db2.gz KBLLPTOLQRJOMI-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588740586 1282682954 /nfs/dbraw/zinc/68/29/54/1282682954.db2.gz SDHDRRKOALHJMK-LBPRGKRZSA-N -1 1 372.433 0.302 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588740586 1282682971 /nfs/dbraw/zinc/68/29/71/1282682971.db2.gz SDHDRRKOALHJMK-LBPRGKRZSA-N -1 1 372.433 0.302 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588740144 1282683602 /nfs/dbraw/zinc/68/36/02/1282683602.db2.gz HQJTVIHGGOKFHT-CYBMUJFWSA-N 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CC(C)C#CC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589385252 1282859112 /nfs/dbraw/zinc/85/91/12/1282859112.db2.gz YBXUCKFYXRKRCM-JSGCOSHPSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001589384738 1282859679 /nfs/dbraw/zinc/85/96/79/1282859679.db2.gz OUAWQHUDQCWNEF-BETUJISGSA-N -1 1 352.402 0.211 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001589384738 1282859681 /nfs/dbraw/zinc/85/96/81/1282859681.db2.gz OUAWQHUDQCWNEF-BETUJISGSA-N -1 1 352.402 0.211 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001589389534 1282866033 /nfs/dbraw/zinc/86/60/33/1282866033.db2.gz GYSDYSQBTALEQY-CHWSQXEVSA-N -1 1 354.418 0.505 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001589389534 1282866045 /nfs/dbraw/zinc/86/60/45/1282866045.db2.gz GYSDYSQBTALEQY-CHWSQXEVSA-N -1 1 354.418 0.505 20 30 FCEDMM CC(C)C#CC(=O)NCC1=CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589388564 1282866967 /nfs/dbraw/zinc/86/69/67/1282866967.db2.gz ZZIXHASKWXMRTM-UHFFFAOYSA-N -1 1 352.402 0.569 20 30 FCEDMM CC(C)C#CC(=O)NCC1=CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589388564 1282866984 /nfs/dbraw/zinc/86/69/84/1282866984.db2.gz ZZIXHASKWXMRTM-UHFFFAOYSA-N -1 1 352.402 0.569 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001589388362 1282868826 /nfs/dbraw/zinc/86/88/26/1282868826.db2.gz WRFMRFOSOOXKOC-ZDUSSCGKSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001589389831 1282869766 /nfs/dbraw/zinc/86/97/66/1282869766.db2.gz OXKGNXSJVUKRNN-CYBMUJFWSA-N -1 1 374.470 0.905 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001589389777 1282870732 /nfs/dbraw/zinc/87/07/32/1282870732.db2.gz MTZNVQXHQVQFPE-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001589389777 1282870740 /nfs/dbraw/zinc/87/07/40/1282870740.db2.gz MTZNVQXHQVQFPE-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM C[C@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589787672 1283001403 /nfs/dbraw/zinc/00/14/03/1283001403.db2.gz ORMNKNHUZFPZRQ-MRVPVSSYSA-N -1 1 351.348 0.698 20 30 FCEDMM C[C@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589787672 1283001412 /nfs/dbraw/zinc/00/14/12/1283001412.db2.gz ORMNKNHUZFPZRQ-MRVPVSSYSA-N -1 1 351.348 0.698 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)o1)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589863651 1283098877 /nfs/dbraw/zinc/09/88/77/1283098877.db2.gz FHIUYUZTJPYXIQ-SECBINFHSA-N -1 1 369.341 0.720 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)o1)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589863651 1283098887 /nfs/dbraw/zinc/09/88/87/1283098887.db2.gz FHIUYUZTJPYXIQ-SECBINFHSA-N -1 1 369.341 0.720 20 30 FCEDMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CSCC#N)C1CC1 ZINC001589878380 1283105671 /nfs/dbraw/zinc/10/56/71/1283105671.db2.gz FPDAFDOIIBYFME-OAHLLOKOSA-N -1 1 373.446 0.610 20 30 FCEDMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CSCC#N)C1CC1 ZINC001589878380 1283105673 /nfs/dbraw/zinc/10/56/73/1283105673.db2.gz FPDAFDOIIBYFME-OAHLLOKOSA-N -1 1 373.446 0.610 20 30 FCEDMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985503 1283156702 /nfs/dbraw/zinc/15/67/02/1283156702.db2.gz KLMYWASNOASVLA-OLZOCXBDSA-N -1 1 368.445 0.777 20 30 FCEDMM C[C@@]1(C#N)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001590055589 1283189684 /nfs/dbraw/zinc/18/96/84/1283189684.db2.gz UVPDVYBZQVVKAL-ZDUSSCGKSA-N -1 1 363.359 0.699 20 30 FCEDMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001590108615 1283220520 /nfs/dbraw/zinc/22/05/20/1283220520.db2.gz ASCKAYFLVKEQKX-ZDUSSCGKSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001590108615 1283220530 /nfs/dbraw/zinc/22/05/30/1283220530.db2.gz ASCKAYFLVKEQKX-ZDUSSCGKSA-N -1 1 352.402 0.401 20 30 FCEDMM C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590144799 1283242045 /nfs/dbraw/zinc/24/20/45/1283242045.db2.gz XRSZERNTJPZHDW-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)CCN1c1cncc(C#N)n1 ZINC001590168419 1283260828 /nfs/dbraw/zinc/26/08/28/1283260828.db2.gz STYBUNHSXZHZJQ-MNOVXSKESA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)CCN1c1cncc(C#N)n1 ZINC001590168419 1283260836 /nfs/dbraw/zinc/26/08/36/1283260836.db2.gz STYBUNHSXZHZJQ-MNOVXSKESA-N -1 1 363.389 0.422 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174265 1283277027 /nfs/dbraw/zinc/27/70/27/1283277027.db2.gz BXOMFSKPADSVGP-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590174265 1283277039 /nfs/dbraw/zinc/27/70/39/1283277039.db2.gz BXOMFSKPADSVGP-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C#CC(C)(C)C ZINC001590175002 1283280603 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CCCN(C(=O)C#CC1CC1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590615708 1283650841 /nfs/dbraw/zinc/65/08/41/1283650841.db2.gz AIGQXLQFQQHEER-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001590680759 1283729848 /nfs/dbraw/zinc/72/98/48/1283729848.db2.gz KBQKEQDPLPUHOH-VIFPVBQESA-N -1 1 365.375 0.945 20 30 FCEDMM CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001590680759 1283729853 /nfs/dbraw/zinc/72/98/53/1283729853.db2.gz KBQKEQDPLPUHOH-VIFPVBQESA-N -1 1 365.375 0.945 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590918866 1283968094 /nfs/dbraw/zinc/96/80/94/1283968094.db2.gz JKLLICHMFLFIAM-CYBMUJFWSA-N -1 1 366.429 0.893 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590918866 1283968096 /nfs/dbraw/zinc/96/80/96/1283968096.db2.gz JKLLICHMFLFIAM-CYBMUJFWSA-N -1 1 366.429 0.893 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001590971710 1284032230 /nfs/dbraw/zinc/03/22/30/1284032230.db2.gz DGILJIHKCIUMJK-CYBMUJFWSA-N -1 1 368.445 0.777 20 30 FCEDMM CN(C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N)C1(C#N)CCCCC1 ZINC001590986255 1284041470 /nfs/dbraw/zinc/04/14/70/1284041470.db2.gz DZELRTQYNFXQIF-UHFFFAOYSA-N -1 1 354.378 0.202 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591059122 1284120424 /nfs/dbraw/zinc/12/04/24/1284120424.db2.gz FORHPURLQLZXQY-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@@H]1CCN(C(=O)CSCC#N)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591059122 1284120429 /nfs/dbraw/zinc/12/04/29/1284120429.db2.gz FORHPURLQLZXQY-NSHDSACASA-N -1 1 373.446 0.198 20 30 FCEDMM COC(=O)c1ccccc1NC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001591304211 1284453746 /nfs/dbraw/zinc/45/37/46/1284453746.db2.gz NXAMYCPECJRLJN-UHFFFAOYSA-N -1 1 366.341 0.669 20 30 FCEDMM COCCNc1nc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cs1 ZINC001591431435 1284578168 /nfs/dbraw/zinc/57/81/68/1284578168.db2.gz NHKVMRCTKQWWLU-UHFFFAOYSA-N -1 1 374.390 0.157 20 30 FCEDMM COc1ccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001591572348 1284746310 /nfs/dbraw/zinc/74/63/10/1284746310.db2.gz INGBREVFTBGMDS-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM COc1ccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001591572348 1284746318 /nfs/dbraw/zinc/74/63/18/1284746318.db2.gz INGBREVFTBGMDS-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)CNC(=O)CSCC#N)n1 ZINC001591883026 1284973487 /nfs/dbraw/zinc/97/34/87/1284973487.db2.gz NANHAQVJXACKMS-SNVBAGLBSA-N -1 1 361.435 0.163 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)CNC(=O)CSCC#N)n1 ZINC001591883026 1284973490 /nfs/dbraw/zinc/97/34/90/1284973490.db2.gz NANHAQVJXACKMS-SNVBAGLBSA-N -1 1 361.435 0.163 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001591893752 1284984156 /nfs/dbraw/zinc/98/41/56/1284984156.db2.gz RVMSVFFZCBFOHT-BXUZGUMPSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001591893752 1284984161 /nfs/dbraw/zinc/98/41/61/1284984161.db2.gz RVMSVFFZCBFOHT-BXUZGUMPSA-N -1 1 354.418 0.883 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)CSCC#N)C1)c1nccnc1-c1nnn[n-]1 ZINC001604735035 1287760503 /nfs/dbraw/zinc/76/05/03/1287760503.db2.gz WJEKEAPCQJHNQS-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)CSCC#N)C1)c1nccnc1-c1nn[n-]n1 ZINC001604735035 1287760507 /nfs/dbraw/zinc/76/05/07/1287760507.db2.gz WJEKEAPCQJHNQS-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(CCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)c1ccc(C#N)o1 ZINC001604759031 1287766191 /nfs/dbraw/zinc/76/61/91/1287766191.db2.gz LDRONOCWGVSACA-UHFFFAOYSA-N -1 1 369.341 0.769 20 30 FCEDMM CN(CCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(C#N)o1 ZINC001604759031 1287766197 /nfs/dbraw/zinc/76/61/97/1287766197.db2.gz LDRONOCWGVSACA-UHFFFAOYSA-N -1 1 369.341 0.769 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC001592335218 1285244806 /nfs/dbraw/zinc/24/48/06/1285244806.db2.gz OTKFHNLYMSINGJ-MWLCHTKSSA-N -1 1 371.405 0.648 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)c1ccc2c(c1)CCN2C=O ZINC001592335294 1285245805 /nfs/dbraw/zinc/24/58/05/1285245805.db2.gz PXIBVVKVTRVLAZ-UHFFFAOYSA-N -1 1 362.353 0.645 20 30 FCEDMM Cc1nn(C[C@@H](O)COc2ccc(C#N)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436483 1285368807 /nfs/dbraw/zinc/36/88/07/1285368807.db2.gz RXZAEITZUPTCBC-CYBMUJFWSA-N -1 1 367.369 0.352 20 30 FCEDMM Cn1c(Cc2ccc(-c3nnn[n-]3)nc2)nnc1N1CCC[C@H](C#N)C1 ZINC001592553768 1285462827 /nfs/dbraw/zinc/46/28/27/1285462827.db2.gz ACAXIPVTMOXNHP-GFCCVEGCSA-N -1 1 350.390 0.721 20 30 FCEDMM Cn1c(Cc2ccc(-c3nn[n-]n3)nc2)nnc1N1CCC[C@H](C#N)C1 ZINC001592553768 1285462832 /nfs/dbraw/zinc/46/28/32/1285462832.db2.gz ACAXIPVTMOXNHP-GFCCVEGCSA-N -1 1 350.390 0.721 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001604831743 1287792931 /nfs/dbraw/zinc/79/29/31/1287792931.db2.gz RNAWEKWIGBVJIK-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001604831743 1287792934 /nfs/dbraw/zinc/79/29/34/1287792934.db2.gz RNAWEKWIGBVJIK-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM N#C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCN1C1CC1 ZINC001592671414 1285568435 /nfs/dbraw/zinc/56/84/35/1285568435.db2.gz GEYPRXHOKXPEBC-LLVKDONJSA-N -1 1 359.340 0.957 20 30 FCEDMM N#C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCN1C1CC1 ZINC001592671414 1285568439 /nfs/dbraw/zinc/56/84/39/1285568439.db2.gz GEYPRXHOKXPEBC-LLVKDONJSA-N -1 1 359.340 0.957 20 30 FCEDMM N#CCNC(=O)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001592677767 1285573216 /nfs/dbraw/zinc/57/32/16/1285573216.db2.gz JKOWEUKCSAMIFM-UHFFFAOYSA-N -1 1 355.236 0.077 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679036 1285575102 /nfs/dbraw/zinc/57/51/02/1285575102.db2.gz DADGRXCLRRSRRL-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679036 1285575110 /nfs/dbraw/zinc/57/51/10/1285575110.db2.gz DADGRXCLRRSRRL-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592679475 1285576481 /nfs/dbraw/zinc/57/64/81/1285576481.db2.gz RJRVEHZORKSUBA-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592679475 1285576490 /nfs/dbraw/zinc/57/64/90/1285576490.db2.gz RJRVEHZORKSUBA-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679566 1285577037 /nfs/dbraw/zinc/57/70/37/1285577037.db2.gz UZBNQPWDXKXIPJ-MNOVXSKESA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679566 1285577043 /nfs/dbraw/zinc/57/70/43/1285577043.db2.gz UZBNQPWDXKXIPJ-MNOVXSKESA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001592679664 1285579030 /nfs/dbraw/zinc/57/90/30/1285579030.db2.gz YKKQDIGYSFMFAW-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001592679664 1285579035 /nfs/dbraw/zinc/57/90/35/1285579035.db2.gz YKKQDIGYSFMFAW-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#C[C@@]12CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681089 1285579251 /nfs/dbraw/zinc/57/92/51/1285579251.db2.gz GZZBQNDFKYXDFY-KBUNVGBDSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1nn[nH]n1 ZINC001592682448 1285581780 /nfs/dbraw/zinc/58/17/80/1285581780.db2.gz ZWPPMKHLHJENFC-UHFFFAOYSA-N -1 1 363.341 0.841 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)nc1-c1nn[nH]n1 ZINC001592681386 1285581999 /nfs/dbraw/zinc/58/19/99/1285581999.db2.gz CKLAYKMOPFVDJP-VIFPVBQESA-N -1 1 367.329 0.276 20 30 FCEDMM N#Cc1c(F)cccc1N1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592686841 1285584414 /nfs/dbraw/zinc/58/44/14/1285584414.db2.gz OQCJYECLLSWPCO-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1ncc(N(CCO)Cc2cccnc2Cl)nc1-c1nn[n-]n1 ZINC001592708313 1285593334 /nfs/dbraw/zinc/59/33/34/1285593334.db2.gz IORMJARKUZBFAR-UHFFFAOYSA-N -1 1 357.765 0.576 20 30 FCEDMM N#Cc1nc(N2CCN(Cc3ccsc3)CC2)cnc1-c1nnn[n-]1 ZINC001592706231 1285593521 /nfs/dbraw/zinc/59/35/21/1285593521.db2.gz AWBHMPUBVYXMIM-UHFFFAOYSA-N -1 1 353.415 0.912 20 30 FCEDMM N#Cc1ncc(NCCc2cnc3c(Cl)cnn3c2)nc1-c1nn[n-]n1 ZINC001592710394 1285595351 /nfs/dbraw/zinc/59/53/51/1285595351.db2.gz NPGDTLQYIQWJJH-UHFFFAOYSA-N -1 1 367.764 0.879 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001592766519 1285688377 /nfs/dbraw/zinc/68/83/77/1285688377.db2.gz MZWVXUYSQMIRMX-DZGCQCFKSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001592766519 1285688382 /nfs/dbraw/zinc/68/83/82/1285688382.db2.gz MZWVXUYSQMIRMX-DZGCQCFKSA-N -1 1 364.413 0.497 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001592766142 1285688533 /nfs/dbraw/zinc/68/85/33/1285688533.db2.gz DPKKLQVYQGVKSO-KBPBESRZSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001592766142 1285688544 /nfs/dbraw/zinc/68/85/44/1285688544.db2.gz DPKKLQVYQGVKSO-KBPBESRZSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001592766410 1285688762 /nfs/dbraw/zinc/68/87/62/1285688762.db2.gz LBNLWUGGIUSMNF-KDOFPFPSSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001592766410 1285688768 /nfs/dbraw/zinc/68/87/68/1285688768.db2.gz LBNLWUGGIUSMNF-KDOFPFPSSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001592767027 1285689855 /nfs/dbraw/zinc/68/98/55/1285689855.db2.gz ZAYQUEYBHSWSJO-UHFFFAOYSA-N -1 1 352.402 0.333 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001592767713 1285690322 /nfs/dbraw/zinc/69/03/22/1285690322.db2.gz IQRUGDKFHCXQTG-BZPMIXESSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001592767713 1285690331 /nfs/dbraw/zinc/69/03/31/1285690331.db2.gz IQRUGDKFHCXQTG-BZPMIXESSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768295 1285692911 /nfs/dbraw/zinc/69/29/11/1285692911.db2.gz HADSDGUJCPBVDO-STQMWFEESA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768295 1285692914 /nfs/dbraw/zinc/69/29/14/1285692914.db2.gz HADSDGUJCPBVDO-STQMWFEESA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001592768695 1285693574 /nfs/dbraw/zinc/69/35/74/1285693574.db2.gz OVHAOEJWQNZDMO-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001592768695 1285693577 /nfs/dbraw/zinc/69/35/77/1285693577.db2.gz OVHAOEJWQNZDMO-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768924 1285695600 /nfs/dbraw/zinc/69/56/00/1285695600.db2.gz REAHUMFZCTUQEQ-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768924 1285695604 /nfs/dbraw/zinc/69/56/04/1285695604.db2.gz REAHUMFZCTUQEQ-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM N#CC1(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CCOCC1 ZINC001601053782 1286623770 /nfs/dbraw/zinc/62/37/70/1286623770.db2.gz SMEUWIUORPXBJZ-KRWDZBQOSA-N -1 1 351.403 0.085 20 30 FCEDMM COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609321413 1289092460 /nfs/dbraw/zinc/09/24/60/1289092460.db2.gz ZIRCUNOZVGHKTK-CYBMUJFWSA-N -1 1 354.367 0.603 20 30 FCEDMM COCc1cccc(CNC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001609331301 1289102651 /nfs/dbraw/zinc/10/26/51/1289102651.db2.gz ZQBVLNPGZGGFTQ-UHFFFAOYSA-N -1 1 366.385 0.706 20 30 FCEDMM COc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC001609355105 1289115658 /nfs/dbraw/zinc/11/56/58/1289115658.db2.gz GWLDEYCIXOIYDT-UHFFFAOYSA-N -1 1 352.358 0.602 20 30 FCEDMM C#CCCCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602703308 1287064159 /nfs/dbraw/zinc/06/41/59/1287064159.db2.gz NOWXHZHSBUNECA-ZDUSSCGKSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602702315 1287066100 /nfs/dbraw/zinc/06/61/00/1287066100.db2.gz CWCIBGRBNXQRJS-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602703756 1287066306 /nfs/dbraw/zinc/06/63/06/1287066306.db2.gz DRFQRBVMAURNPN-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602703756 1287066311 /nfs/dbraw/zinc/06/63/11/1287066311.db2.gz DRFQRBVMAURNPN-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602710632 1287068158 /nfs/dbraw/zinc/06/81/58/1287068158.db2.gz XVLQVOYASPIPRY-CYBMUJFWSA-N -1 1 356.434 0.921 20 30 FCEDMM C#CCN(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(=O)OC(C)(C)C ZINC001602715428 1287074847 /nfs/dbraw/zinc/07/48/47/1287074847.db2.gz HCLWICFGZMURFL-LBPRGKRZSA-N -1 1 350.375 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001602724488 1287081222 /nfs/dbraw/zinc/08/12/22/1287081222.db2.gz FZJGWAQXAXLMNU-VXGBXAGGSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001602724488 1287081229 /nfs/dbraw/zinc/08/12/29/1287081229.db2.gz FZJGWAQXAXLMNU-VXGBXAGGSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602725165 1287082925 /nfs/dbraw/zinc/08/29/25/1287082925.db2.gz JZQCXKNRUMGJOZ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602725165 1287082931 /nfs/dbraw/zinc/08/29/31/1287082931.db2.gz JZQCXKNRUMGJOZ-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C 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ZINC001602817109 1287124718 /nfs/dbraw/zinc/12/47/18/1287124718.db2.gz AVQMEHULZVPOIR-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001602817109 1287124721 /nfs/dbraw/zinc/12/47/21/1287124721.db2.gz AVQMEHULZVPOIR-LBPRGKRZSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001602817108 1287124976 /nfs/dbraw/zinc/12/49/76/1287124976.db2.gz AVQMEHULZVPOIR-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001602817108 1287124981 /nfs/dbraw/zinc/12/49/81/1287124981.db2.gz AVQMEHULZVPOIR-GFCCVEGCSA-N -1 1 372.433 0.682 20 30 FCEDMM C=CCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001602827217 1287126260 /nfs/dbraw/zinc/12/62/60/1287126260.db2.gz SDNHLHPDZGCJPL-SSDOTTSWSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCCC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001602827217 1287126264 /nfs/dbraw/zinc/12/62/64/1287126264.db2.gz SDNHLHPDZGCJPL-SSDOTTSWSA-N -1 1 357.827 0.832 20 30 FCEDMM C=CCC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001602833110 1287129050 /nfs/dbraw/zinc/12/90/50/1287129050.db2.gz DTQMRYSCJPHKAK-QMMMGPOBSA-N -1 1 350.404 0.746 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602841388 1287130095 /nfs/dbraw/zinc/13/00/95/1287130095.db2.gz WIIJEZQYSPGALO-MBNYWOFBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602841388 1287130100 /nfs/dbraw/zinc/13/01/00/1287130100.db2.gz WIIJEZQYSPGALO-MBNYWOFBSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602840954 1287131462 /nfs/dbraw/zinc/13/14/62/1287131462.db2.gz JGGHPKJMJCXDFW-JHJVBQTASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602840954 1287131469 /nfs/dbraw/zinc/13/14/69/1287131469.db2.gz JGGHPKJMJCXDFW-JHJVBQTASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602844134 1287132134 /nfs/dbraw/zinc/13/21/34/1287132134.db2.gz JVEBNAKDUONUBR-LBPRGKRZSA-N -1 1 358.406 0.074 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001602844577 1287134389 /nfs/dbraw/zinc/13/43/89/1287134389.db2.gz QCFIOOLJVNMGRY-FJJYHAOUSA-N -1 1 370.417 0.189 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001602844577 1287134393 /nfs/dbraw/zinc/13/43/93/1287134393.db2.gz QCFIOOLJVNMGRY-FJJYHAOUSA-N -1 1 370.417 0.189 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602844362 1287134978 /nfs/dbraw/zinc/13/49/78/1287134978.db2.gz OMGQKHUOWMTGNI-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602844362 1287134984 /nfs/dbraw/zinc/13/49/84/1287134984.db2.gz OMGQKHUOWMTGNI-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCc1ccc(S(=O)(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001602846676 1287137098 /nfs/dbraw/zinc/13/70/98/1287137098.db2.gz VKOVDUCWIUPPPG-UHFFFAOYSA-N -1 1 374.430 0.555 20 30 FCEDMM C=CCNC(=O)NC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001602862335 1287138394 /nfs/dbraw/zinc/13/83/94/1287138394.db2.gz BLUVGNNQWPGBKM-MRVPVSSYSA-N -1 1 362.419 0.766 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602866855 1287140431 /nfs/dbraw/zinc/14/04/31/1287140431.db2.gz OMGGXAXDUXBCPD-OLZOCXBDSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602866855 1287140435 /nfs/dbraw/zinc/14/04/35/1287140435.db2.gz OMGGXAXDUXBCPD-OLZOCXBDSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001602866879 1287140952 /nfs/dbraw/zinc/14/09/52/1287140952.db2.gz OYLAUMHCMYWTFT-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001602866879 1287140956 /nfs/dbraw/zinc/14/09/56/1287140956.db2.gz OYLAUMHCMYWTFT-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001602867937 1287141893 /nfs/dbraw/zinc/14/18/93/1287141893.db2.gz DWLRYKMKQQWCHE-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602868255 1287142401 /nfs/dbraw/zinc/14/24/01/1287142401.db2.gz KHLRUTZITQUXCU-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602868255 1287142407 /nfs/dbraw/zinc/14/24/07/1287142407.db2.gz KHLRUTZITQUXCU-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001602871266 1287143566 /nfs/dbraw/zinc/14/35/66/1287143566.db2.gz OLXZZHCOWKANEQ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001602871266 1287143570 /nfs/dbraw/zinc/14/35/70/1287143570.db2.gz OLXZZHCOWKANEQ-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001602878805 1287145742 /nfs/dbraw/zinc/14/57/42/1287145742.db2.gz HIAICMWESZUGLR-PHIMTYICSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001602878805 1287145746 /nfs/dbraw/zinc/14/57/46/1287145746.db2.gz HIAICMWESZUGLR-PHIMTYICSA-N -1 1 368.405 0.715 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602871634 1287146067 /nfs/dbraw/zinc/14/60/67/1287146067.db2.gz SKOOVFRCBMLNDK-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602871634 1287146070 /nfs/dbraw/zinc/14/60/70/1287146070.db2.gz SKOOVFRCBMLNDK-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM CC#CCCCC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602891317 1287149022 /nfs/dbraw/zinc/14/90/22/1287149022.db2.gz BODNSYIDLBSRSH-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602891317 1287149025 /nfs/dbraw/zinc/14/90/25/1287149025.db2.gz BODNSYIDLBSRSH-QGZVFWFLSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602891924 1287149786 /nfs/dbraw/zinc/14/97/86/1287149786.db2.gz MERHNHYHIRSQGL-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602891924 1287149796 /nfs/dbraw/zinc/14/97/96/1287149796.db2.gz MERHNHYHIRSQGL-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)n1cnc(C#N)n1 ZINC001603031663 1287193727 /nfs/dbraw/zinc/19/37/27/1287193727.db2.gz JOFVXKCZQFRCCJ-MRVPVSSYSA-N -1 1 355.366 0.481 20 30 FCEDMM C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)n1cnc(C#N)n1 ZINC001603031663 1287193729 /nfs/dbraw/zinc/19/37/29/1287193729.db2.gz JOFVXKCZQFRCCJ-MRVPVSSYSA-N -1 1 355.366 0.481 20 30 FCEDMM C[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)n1cnc(C#N)n1 ZINC001603031664 1287194063 /nfs/dbraw/zinc/19/40/63/1287194063.db2.gz JOFVXKCZQFRCCJ-QMMMGPOBSA-N -1 1 355.366 0.481 20 30 FCEDMM C[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)n1cnc(C#N)n1 ZINC001603031664 1287194066 /nfs/dbraw/zinc/19/40/66/1287194066.db2.gz JOFVXKCZQFRCCJ-QMMMGPOBSA-N -1 1 355.366 0.481 20 30 FCEDMM COC(=O)C(C)(C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001604900388 1287811779 /nfs/dbraw/zinc/81/17/79/1287811779.db2.gz AILFJPBQVQCZOD-SNVBAGLBSA-N -1 1 356.390 0.944 20 30 FCEDMM COC(=O)C(C)(C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001604900388 1287811781 /nfs/dbraw/zinc/81/17/81/1287811781.db2.gz AILFJPBQVQCZOD-SNVBAGLBSA-N -1 1 356.390 0.944 20 30 FCEDMM COC(=O)c1c(C)[nH]c(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1C ZINC001604962559 1287821818 /nfs/dbraw/zinc/82/18/18/1287821818.db2.gz YWEHZEYZDFFHBB-UHFFFAOYSA-N -1 1 354.330 0.549 20 30 FCEDMM COc1cc(C#N)ccc1S(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001605193151 1287906380 /nfs/dbraw/zinc/90/63/80/1287906380.db2.gz SZTUHDURDZHINR-UHFFFAOYSA-N -1 1 358.339 0.910 20 30 FCEDMM COc1cc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c(F)cc1C#N ZINC001605226217 1287913675 /nfs/dbraw/zinc/91/36/75/1287913675.db2.gz HUBGGVMTNWZIRP-SSDOTTSWSA-N -1 1 357.309 0.677 20 30 FCEDMM COc1ccc(COCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cn1 ZINC001605288061 1287922740 /nfs/dbraw/zinc/92/27/40/1287922740.db2.gz PEUODBDKEPLHAP-UHFFFAOYSA-N -1 1 355.318 0.020 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cc[nH]n1 ZINC001605542413 1287993480 /nfs/dbraw/zinc/99/34/80/1287993480.db2.gz NQFCCAJLTVJGOH-VHSXEESVSA-N -1 1 352.347 0.015 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)n1 ZINC001605558794 1288004349 /nfs/dbraw/zinc/00/43/49/1288004349.db2.gz ZAPMVUJSOYOBIV-CQSZACIVSA-N -1 1 366.429 0.710 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)n1 ZINC001605558794 1288004356 /nfs/dbraw/zinc/00/43/56/1288004356.db2.gz ZAPMVUJSOYOBIV-CQSZACIVSA-N -1 1 366.429 0.710 20 30 FCEDMM Cn1cc(-c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)o2)cn1 ZINC001606220243 1288213424 /nfs/dbraw/zinc/21/34/24/1288213424.db2.gz SSLRHMYMWBYSTG-UHFFFAOYSA-N -1 1 350.302 0.707 20 30 FCEDMM N#CCOc1cc(F)ccc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001606350048 1288267298 /nfs/dbraw/zinc/26/72/98/1288267298.db2.gz MHKFTFYRVIPFBS-UHFFFAOYSA-N -1 1 372.324 0.321 20 30 FCEDMM N#CCSCC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001606351251 1288267765 /nfs/dbraw/zinc/26/77/65/1288267765.db2.gz RCJQGOFDAAQMFO-UHFFFAOYSA-N -1 1 373.446 0.612 20 30 FCEDMM N#CCSCC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001606351251 1288267768 /nfs/dbraw/zinc/26/77/68/1288267768.db2.gz RCJQGOFDAAQMFO-UHFFFAOYSA-N -1 1 373.446 0.612 20 30 FCEDMM N#CCSCC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001606351165 1288268379 /nfs/dbraw/zinc/26/83/79/1288268379.db2.gz PEGFYMNDFNTQPM-UHFFFAOYSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001606351510 1288268650 /nfs/dbraw/zinc/26/86/50/1288268650.db2.gz UNZQEQQXOSLSII-PHIMTYICSA-N -1 1 371.430 0.093 20 30 FCEDMM N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001606351510 1288268656 /nfs/dbraw/zinc/26/86/56/1288268656.db2.gz UNZQEQQXOSLSII-PHIMTYICSA-N -1 1 371.430 0.093 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1nn[nH]n1 ZINC001606354701 1288270167 /nfs/dbraw/zinc/27/01/67/1288270167.db2.gz QGZOZJGZEIFYJY-QMMMGPOBSA-N -1 1 355.362 0.191 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)nc1-c1nn[nH]n1 ZINC001606354465 1288270576 /nfs/dbraw/zinc/27/05/76/1288270576.db2.gz IKJDXHQLSOFTJR-VPTHRUTESA-N -1 1 361.325 0.310 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1ccnn1C1CCCC1 ZINC001606355520 1288271177 /nfs/dbraw/zinc/27/11/77/1288271177.db2.gz GSNZBIDQNFLTRE-UHFFFAOYSA-N -1 1 367.377 0.467 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1ccnn1C1CCCC1 ZINC001606355520 1288271182 /nfs/dbraw/zinc/27/11/82/1288271182.db2.gz GSNZBIDQNFLTRE-UHFFFAOYSA-N -1 1 367.377 0.467 20 30 FCEDMM N#Cc1cc(C(=O)NCC=CCNc2cncc(-c3nnn[n-]3)n2)c[nH]1 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C#CCCCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573284620 946751729 /nfs/dbraw/zinc/75/17/29/946751729.db2.gz HWAQGKXLLKDOOW-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573284620 946751733 /nfs/dbraw/zinc/75/17/33/946751733.db2.gz HWAQGKXLLKDOOW-UONOGXRCSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001573285263 946772750 /nfs/dbraw/zinc/77/27/50/946772750.db2.gz UOTFNJPDIGJLFP-ZDUSSCGKSA-N -1 1 356.434 0.825 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573285382 946775051 /nfs/dbraw/zinc/77/50/51/946775051.db2.gz HAQROORZLGMPSW-GFCCVEGCSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573285382 946775062 /nfs/dbraw/zinc/77/50/62/946775062.db2.gz HAQROORZLGMPSW-GFCCVEGCSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573285697 946785891 /nfs/dbraw/zinc/78/58/91/946785891.db2.gz LKHDOOSDGJIETP-MRVPVSSYSA-N -1 1 369.838 0.885 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573285697 946785898 /nfs/dbraw/zinc/78/58/98/946785898.db2.gz LKHDOOSDGJIETP-MRVPVSSYSA-N -1 1 369.838 0.885 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573285826 946788888 /nfs/dbraw/zinc/78/88/88/946788888.db2.gz OLIZJWSFXXTPBX-CHWSQXEVSA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573285826 946788895 /nfs/dbraw/zinc/78/88/95/946788895.db2.gz OLIZJWSFXXTPBX-CHWSQXEVSA-N -1 1 370.417 0.406 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573286484 946810250 /nfs/dbraw/zinc/81/02/50/946810250.db2.gz CKAXSTUVOTXGSN-ZDUSSCGKSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573286484 946810258 /nfs/dbraw/zinc/81/02/58/946810258.db2.gz CKAXSTUVOTXGSN-ZDUSSCGKSA-N -1 1 370.417 0.090 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001573286953 946822962 /nfs/dbraw/zinc/82/29/62/946822962.db2.gz CTGKIHDHSXFXMA-LBPRGKRZSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001573286953 946822968 /nfs/dbraw/zinc/82/29/68/946822968.db2.gz CTGKIHDHSXFXMA-LBPRGKRZSA-N -1 1 363.385 0.654 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573287032 946826091 /nfs/dbraw/zinc/82/60/91/946826091.db2.gz KRXYRHOXHKFUSW-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573287032 946826098 /nfs/dbraw/zinc/82/60/98/946826098.db2.gz KRXYRHOXHKFUSW-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CC)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573288517 946868245 /nfs/dbraw/zinc/86/82/45/946868245.db2.gz VBLMLJBMMPPXOF-LBPRGKRZSA-N -1 1 372.433 0.200 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CC)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573288517 946868258 /nfs/dbraw/zinc/86/82/58/946868258.db2.gz VBLMLJBMMPPXOF-LBPRGKRZSA-N -1 1 372.433 0.200 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573290156 946898481 /nfs/dbraw/zinc/89/84/81/946898481.db2.gz FVGXYPPCNGFOML-OAHLLOKOSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573290156 946898489 /nfs/dbraw/zinc/89/84/89/946898489.db2.gz FVGXYPPCNGFOML-OAHLLOKOSA-N -1 1 374.408 0.894 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)OCC ZINC001573293538 946959623 /nfs/dbraw/zinc/95/96/23/946959623.db2.gz ZRUHSNJKBLJZDQ-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)OCC ZINC001573293538 946959638 /nfs/dbraw/zinc/95/96/38/946959638.db2.gz ZRUHSNJKBLJZDQ-STQMWFEESA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)OCC ZINC001573293537 946960597 /nfs/dbraw/zinc/96/05/97/946960597.db2.gz ZRUHSNJKBLJZDQ-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)OCC ZINC001573293537 946960601 /nfs/dbraw/zinc/96/06/01/946960601.db2.gz ZRUHSNJKBLJZDQ-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565239 947005884 /nfs/dbraw/zinc/00/58/84/947005884.db2.gz PGCJRTORMKSCPC-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565239 947005898 /nfs/dbraw/zinc/00/58/98/947005898.db2.gz PGCJRTORMKSCPC-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C=C(Cl)C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)OCC ZINC001573295324 947013369 /nfs/dbraw/zinc/01/33/69/947013369.db2.gz PBOSUGBLUSDMIL-DTWKUNHWSA-N -1 1 368.785 0.210 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573295961 947034267 /nfs/dbraw/zinc/03/42/67/947034267.db2.gz WXSVLPRGFBRKOJ-JSGCOSHPSA-N -1 1 370.417 0.287 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573295961 947034282 /nfs/dbraw/zinc/03/42/82/947034282.db2.gz WXSVLPRGFBRKOJ-JSGCOSHPSA-N -1 1 370.417 0.287 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573567193 947037394 /nfs/dbraw/zinc/03/73/94/947037394.db2.gz JSVIDEBXGFZZOE-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573567193 947037409 /nfs/dbraw/zinc/03/74/09/947037409.db2.gz JSVIDEBXGFZZOE-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C=C1CC(C)(C(=O)NCCOCCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573296344 947043770 /nfs/dbraw/zinc/04/37/70/947043770.db2.gz NFLIIPHDGFXRHF-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573567468 947046736 /nfs/dbraw/zinc/04/67/36/947046736.db2.gz NNHHQBSIWQXQSQ-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567468 947046743 /nfs/dbraw/zinc/04/67/43/947046743.db2.gz NNHHQBSIWQXQSQ-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001573567689 947051776 /nfs/dbraw/zinc/05/17/76/947051776.db2.gz QYMZPKROKIGFEO-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001573567689 947051787 /nfs/dbraw/zinc/05/17/87/947051787.db2.gz QYMZPKROKIGFEO-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567955 947060728 /nfs/dbraw/zinc/06/07/28/947060728.db2.gz VKINPIFERYLSBK-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567955 947060736 /nfs/dbraw/zinc/06/07/36/947060736.db2.gz VKINPIFERYLSBK-VXGBXAGGSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573570079 947083708 /nfs/dbraw/zinc/08/37/08/947083708.db2.gz KAFKTKZWRCHROC-ZETCQYMHSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573570079 947083717 /nfs/dbraw/zinc/08/37/17/947083717.db2.gz KAFKTKZWRCHROC-ZETCQYMHSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573571072 947099549 /nfs/dbraw/zinc/09/95/49/947099549.db2.gz YRSUMZWAZGCANY-PEBVRCNWSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573571072 947099563 /nfs/dbraw/zinc/09/95/63/947099563.db2.gz YRSUMZWAZGCANY-PEBVRCNWSA-N -1 1 367.417 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573574744 947132630 /nfs/dbraw/zinc/13/26/30/947132630.db2.gz UGHLAZRZCRBVOJ-SNVBAGLBSA-N -1 1 361.431 0.141 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573575033 947134457 /nfs/dbraw/zinc/13/44/57/947134457.db2.gz VMZPVLMPZHMHNT-JQWIXIFHSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573575033 947134464 /nfs/dbraw/zinc/13/44/64/947134464.db2.gz VMZPVLMPZHMHNT-JQWIXIFHSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573576735 947156010 /nfs/dbraw/zinc/15/60/10/947156010.db2.gz JEAOTMSNGTVCLB-QWRGUYRKSA-N -1 1 373.442 0.547 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573577976 947178332 /nfs/dbraw/zinc/17/83/32/947178332.db2.gz WQDHUUKNXQSTSJ-WCQYABFASA-N -1 1 363.385 0.508 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573578134 947181940 /nfs/dbraw/zinc/18/19/40/947181940.db2.gz ZAUXYEQJTIWARN-BQBZGAKWSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573578134 947181948 /nfs/dbraw/zinc/18/19/48/947181948.db2.gz ZAUXYEQJTIWARN-BQBZGAKWSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573578132 947182523 /nfs/dbraw/zinc/18/25/23/947182523.db2.gz ZADHLWIYSYFKDS-PWSUYJOCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573578132 947182529 /nfs/dbraw/zinc/18/25/29/947182529.db2.gz ZADHLWIYSYFKDS-PWSUYJOCSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573578133 947183353 /nfs/dbraw/zinc/18/33/53/947183353.db2.gz ZADHLWIYSYFKDS-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573578133 947183360 /nfs/dbraw/zinc/18/33/60/947183360.db2.gz ZADHLWIYSYFKDS-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573581962 947186850 /nfs/dbraw/zinc/18/68/50/947186850.db2.gz AYUMCSKSBLRDJA-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573581962 947186858 /nfs/dbraw/zinc/18/68/58/947186858.db2.gz AYUMCSKSBLRDJA-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309312 947195840 /nfs/dbraw/zinc/19/58/40/947195840.db2.gz GRGKPAHLGGXPHS-SJCJKPOMSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309312 947195846 /nfs/dbraw/zinc/19/58/46/947195846.db2.gz GRGKPAHLGGXPHS-SJCJKPOMSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573309276 947196413 /nfs/dbraw/zinc/19/64/13/947196413.db2.gz GGSJFUGNQZKRND-TUYSUELWSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573309276 947196424 /nfs/dbraw/zinc/19/64/24/947196424.db2.gz GGSJFUGNQZKRND-TUYSUELWSA-N -1 1 372.433 0.631 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573309341 947196778 /nfs/dbraw/zinc/19/67/78/947196778.db2.gz HERJUSYGKCRTKQ-KRWDZBQOSA-N -1 1 374.449 0.880 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573309341 947196785 /nfs/dbraw/zinc/19/67/85/947196785.db2.gz HERJUSYGKCRTKQ-KRWDZBQOSA-N -1 1 374.449 0.880 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573309700 947207805 /nfs/dbraw/zinc/20/78/05/947207805.db2.gz MZNFJNSGGFDJQT-BZNIZROVSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573309700 947207813 /nfs/dbraw/zinc/20/78/13/947207813.db2.gz MZNFJNSGGFDJQT-BZNIZROVSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573309698 947208688 /nfs/dbraw/zinc/20/86/88/947208688.db2.gz MZGGLLCYBMPSPG-MRXNPFEDSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573309698 947208697 /nfs/dbraw/zinc/20/86/97/947208697.db2.gz MZGGLLCYBMPSPG-MRXNPFEDSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573309937 947212441 /nfs/dbraw/zinc/21/24/41/947212441.db2.gz QEKYKOGBBIABGA-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573309937 947212452 /nfs/dbraw/zinc/21/24/52/947212452.db2.gz QEKYKOGBBIABGA-MEDUHNTESA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573314637 947234071 /nfs/dbraw/zinc/23/40/71/947234071.db2.gz DQZZGXOFCAEGSI-OLZOCXBDSA-N -1 1 356.434 0.941 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573586038 947274134 /nfs/dbraw/zinc/27/41/34/947274134.db2.gz XWHBXIQBKCYDGM-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573586038 947274150 /nfs/dbraw/zinc/27/41/50/947274150.db2.gz XWHBXIQBKCYDGM-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C=CCC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573319012 947322848 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FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335630 947484515 /nfs/dbraw/zinc/48/45/15/947484515.db2.gz BYYZEQQQKNJGQX-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335630 947484524 /nfs/dbraw/zinc/48/45/24/947484524.db2.gz BYYZEQQQKNJGQX-RYUDHWBXSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573335836 947489810 /nfs/dbraw/zinc/48/98/10/947489810.db2.gz FDFSOFWRHIAQPA-SJKOYZFVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573335836 947489816 /nfs/dbraw/zinc/48/98/16/947489816.db2.gz FDFSOFWRHIAQPA-SJKOYZFVSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573343005 947549928 /nfs/dbraw/zinc/54/99/28/947549928.db2.gz HZBAENCXQVKMRS-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 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/nfs/dbraw/zinc/31/98/15/950319815.db2.gz NATBIWBOKAELDO-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H]2C[C@H]21 ZINC001573856795 950392355 /nfs/dbraw/zinc/39/23/55/950392355.db2.gz IWPJKTNSETXQPP-WDEREUQCSA-N -1 1 369.389 0.726 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H]2C[C@H]21 ZINC001573856795 950392374 /nfs/dbraw/zinc/39/23/74/950392374.db2.gz IWPJKTNSETXQPP-WDEREUQCSA-N -1 1 369.389 0.726 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001573857066 950397292 /nfs/dbraw/zinc/39/72/92/950397292.db2.gz MSTICKLEOQXCHE-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM CC(C)(C)OC(=O)N1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001573857066 950397314 /nfs/dbraw/zinc/39/73/14/950397314.db2.gz MSTICKLEOQXCHE-UHFFFAOYSA-N -1 1 357.378 0.585 20 30 FCEDMM C[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574994893 950495854 /nfs/dbraw/zinc/49/58/54/950495854.db2.gz AXXGLUGFKQXCJD-VIFPVBQESA-N -1 1 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0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580695188 1278737042 /nfs/dbraw/zinc/73/70/42/1278737042.db2.gz UJBVQHHEOBEYPS-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580695188 1278737048 /nfs/dbraw/zinc/73/70/48/1278737048.db2.gz UJBVQHHEOBEYPS-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576866016 1273836477 /nfs/dbraw/zinc/83/64/77/1273836477.db2.gz BXFVAUKVLGRTCV-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576866016 1273836489 /nfs/dbraw/zinc/83/64/89/1273836489.db2.gz BXFVAUKVLGRTCV-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001576885239 1273874075 /nfs/dbraw/zinc/87/40/75/1273874075.db2.gz DAASFEXYICOYLJ-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001576885239 1273874080 /nfs/dbraw/zinc/87/40/80/1273874080.db2.gz DAASFEXYICOYLJ-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001580740327 1278841292 /nfs/dbraw/zinc/84/12/92/1278841292.db2.gz SSIMGPOLFHHMBN-JQWIXIFHSA-N -1 1 371.405 0.154 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001580740327 1278841309 /nfs/dbraw/zinc/84/13/09/1278841309.db2.gz SSIMGPOLFHHMBN-JQWIXIFHSA-N -1 1 371.405 0.154 20 30 FCEDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001577178241 1274229661 /nfs/dbraw/zinc/22/96/61/1274229661.db2.gz TUHLOTGTZFBTQF-NWDGAFQWSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001577178241 1274229670 /nfs/dbraw/zinc/22/96/70/1274229670.db2.gz TUHLOTGTZFBTQF-NWDGAFQWSA-N -1 1 355.406 0.754 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523667 1274469685 /nfs/dbraw/zinc/46/96/85/1274469685.db2.gz YZSCQOLUKCLRCN-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523667 1274469687 /nfs/dbraw/zinc/46/96/87/1274469687.db2.gz YZSCQOLUKCLRCN-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(CCNC(=O)CSCC#N)c1ccc(-c2nnn[n-]2)nn1 ZINC001577608911 1274583337 /nfs/dbraw/zinc/58/33/37/1274583337.db2.gz ICFDMBSDJFURSA-UHFFFAOYSA-N -1 1 361.435 0.246 20 30 FCEDMM CCCN(CCNC(=O)CSCC#N)c1ccc(-c2nn[n-]n2)nn1 ZINC001577608911 1274583350 /nfs/dbraw/zinc/58/33/50/1274583350.db2.gz ICFDMBSDJFURSA-UHFFFAOYSA-N -1 1 361.435 0.246 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1nccnc1-c1nnn[n-]1 ZINC001577906238 1275115329 /nfs/dbraw/zinc/11/53/29/1275115329.db2.gz RKVFRIXCQBSZSP-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1nccnc1-c1nn[n-]n1 ZINC001577906238 1275115336 /nfs/dbraw/zinc/11/53/36/1275115336.db2.gz RKVFRIXCQBSZSP-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578061636 1275359451 /nfs/dbraw/zinc/35/94/51/1275359451.db2.gz JVWXDEKVQXXXPX-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578061636 1275359461 /nfs/dbraw/zinc/35/94/61/1275359461.db2.gz JVWXDEKVQXXXPX-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001578061671 1275359532 /nfs/dbraw/zinc/35/95/32/1275359532.db2.gz LNOQHXVOWDRRSV-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001578061671 1275359539 /nfs/dbraw/zinc/35/95/39/1275359539.db2.gz LNOQHXVOWDRRSV-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CCCNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001578576259 1276010358 /nfs/dbraw/zinc/01/03/58/1276010358.db2.gz ANYPISGBCNKVSO-LLVKDONJSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CCCNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001578576259 1276010361 /nfs/dbraw/zinc/01/03/61/1276010361.db2.gz ANYPISGBCNKVSO-LLVKDONJSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588011 1276021141 /nfs/dbraw/zinc/02/11/41/1276021141.db2.gz AZTCZEWCOPTTEM-QWRGUYRKSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588011 1276021144 /nfs/dbraw/zinc/02/11/44/1276021144.db2.gz AZTCZEWCOPTTEM-QWRGUYRKSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001578598586 1276029837 /nfs/dbraw/zinc/02/98/37/1276029837.db2.gz WHBIHJSCKBGRFM-UTUOFQBUSA-N -1 1 367.417 0.273 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001578598586 1276029842 /nfs/dbraw/zinc/02/98/42/1276029842.db2.gz WHBIHJSCKBGRFM-UTUOFQBUSA-N -1 1 367.417 0.273 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001578599367 1276031891 /nfs/dbraw/zinc/03/18/91/1276031891.db2.gz LDBADGBYLSRTKB-PBKGOJFUSA-N -1 1 364.413 0.183 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001578599367 1276031895 /nfs/dbraw/zinc/03/18/95/1276031895.db2.gz LDBADGBYLSRTKB-PBKGOJFUSA-N -1 1 364.413 0.183 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)[C@@H](C#N)c2ccccc2)c1=O ZINC001578735800 1276213357 /nfs/dbraw/zinc/21/33/57/1276213357.db2.gz CFHRWNTXXJKKIC-LBPRGKRZSA-N -1 1 365.353 0.086 20 30 FCEDMM CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001578955502 1276500253 /nfs/dbraw/zinc/50/02/53/1276500253.db2.gz KXOROVKBXCNXGX-LBPRGKRZSA-N -1 1 363.385 0.640 20 30 FCEDMM CN(CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)C(=O)C#CC1CC1 ZINC001579018877 1276596047 /nfs/dbraw/zinc/59/60/47/1276596047.db2.gz OFUBNSXFDAEKIW-UHFFFAOYSA-N -1 1 354.418 0.967 20 30 FCEDMM CN(CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)C(=O)C#CC1CC1 ZINC001579018877 1276596057 /nfs/dbraw/zinc/59/60/57/1276596057.db2.gz OFUBNSXFDAEKIW-UHFFFAOYSA-N -1 1 354.418 0.967 20 30 FCEDMM CN(C[C@H](O)COCc1ccccc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579063208 1276672524 /nfs/dbraw/zinc/67/25/24/1276672524.db2.gz VATBYBAVTOWSCV-ZDUSSCGKSA-N -1 1 366.385 0.542 20 30 FCEDMM CN(C[C@H](O)COCc1ccccc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579062285 1276672546 /nfs/dbraw/zinc/67/25/46/1276672546.db2.gz APFAYNBVVUHMBP-ZDUSSCGKSA-N -1 1 366.385 0.542 20 30 FCEDMM CN(C[C@H](O)COCc1ccccc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579062285 1276672560 /nfs/dbraw/zinc/67/25/60/1276672560.db2.gz APFAYNBVVUHMBP-ZDUSSCGKSA-N -1 1 366.385 0.542 20 30 FCEDMM CN(CCCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579115613 1276784105 /nfs/dbraw/zinc/78/41/05/1276784105.db2.gz AXKCILCVQLCMHD-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579116371 1276787146 /nfs/dbraw/zinc/78/71/46/1276787146.db2.gz IHMDSWRGCPRTRJ-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579116371 1276787154 /nfs/dbraw/zinc/78/71/54/1276787154.db2.gz IHMDSWRGCPRTRJ-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579117289 1276789784 /nfs/dbraw/zinc/78/97/84/1276789784.db2.gz VSFHFINTLSDYGG-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579117289 1276789791 /nfs/dbraw/zinc/78/97/91/1276789791.db2.gz VSFHFINTLSDYGG-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(Cc1nnc2n1CCCCC2)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579265461 1277062059 /nfs/dbraw/zinc/06/20/59/1277062059.db2.gz HEXKTAROXKWJCV-UHFFFAOYSA-N -1 1 351.378 0.483 20 30 FCEDMM CN(Cc1nnc2n1CCCCC2)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579265461 1277062061 /nfs/dbraw/zinc/06/20/61/1277062061.db2.gz HEXKTAROXKWJCV-UHFFFAOYSA-N -1 1 351.378 0.483 20 30 FCEDMM COC(=O)CCN(Cc1ccncc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579447322 1277336995 /nfs/dbraw/zinc/33/69/95/1277336995.db2.gz IVZQCMOJAOXETC-UHFFFAOYSA-N -1 1 365.357 0.493 20 30 FCEDMM COC(=O)CCN(Cc1ccncc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579447322 1277337004 /nfs/dbraw/zinc/33/70/04/1277337004.db2.gz IVZQCMOJAOXETC-UHFFFAOYSA-N -1 1 365.357 0.493 20 30 FCEDMM COC(=O)N1CCC([C@@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001579453300 1277344125 /nfs/dbraw/zinc/34/41/25/1277344125.db2.gz QYRYVIPMFFZNOU-SECBINFHSA-N -1 1 357.378 0.807 20 30 FCEDMM COC(=O)N1CCC([C@@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001579453300 1277344132 /nfs/dbraw/zinc/34/41/32/1277344132.db2.gz QYRYVIPMFFZNOU-SECBINFHSA-N -1 1 357.378 0.807 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCc2ccc(C#N)cc2)c1 ZINC001579477727 1277385608 /nfs/dbraw/zinc/38/56/08/1277385608.db2.gz WBKPSQKNRBAVNO-UHFFFAOYSA-N -1 1 350.338 0.929 20 30 FCEDMM COc1ccc(OC)c([C@@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001580048631 1277998458 /nfs/dbraw/zinc/99/84/58/1277998458.db2.gz ONYTTYRMUPCDKG-LBPRGKRZSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1ccc(OC)c([C@@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001580048631 1277998465 /nfs/dbraw/zinc/99/84/65/1277998465.db2.gz ONYTTYRMUPCDKG-LBPRGKRZSA-N -1 1 368.357 0.691 20 30 FCEDMM CC(C)C#CC(=O)NCCOCCCNc1nccnc1-c1nnn[n-]1 ZINC001603190087 1287327138 /nfs/dbraw/zinc/32/71/38/1287327138.db2.gz VRJGQCXUGLSGAZ-UHFFFAOYSA-N -1 1 358.406 0.251 20 30 FCEDMM CC(C)C#CC(=O)NCCOCCCNc1nccnc1-c1nn[n-]n1 ZINC001603190087 1287327139 /nfs/dbraw/zinc/32/71/39/1287327139.db2.gz VRJGQCXUGLSGAZ-UHFFFAOYSA-N -1 1 358.406 0.251 20 30 FCEDMM Cc1ccc(F)cc1NC(=O)CCn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001581206789 1279503371 /nfs/dbraw/zinc/50/33/71/1279503371.db2.gz JJTODJQRACPAPM-UHFFFAOYSA-N -1 1 355.337 0.993 20 30 FCEDMM Cc1cccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1C#N ZINC001581247287 1279524125 /nfs/dbraw/zinc/52/41/25/1279524125.db2.gz ABJBXKNLGFEKOB-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1cccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1C#N ZINC001581247287 1279524130 /nfs/dbraw/zinc/52/41/30/1279524130.db2.gz ABJBXKNLGFEKOB-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1cccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1C#N ZINC001581248023 1279526772 /nfs/dbraw/zinc/52/67/72/1279526772.db2.gz OSAIGBWDABPBBL-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1cccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1C#N ZINC001581248023 1279526785 /nfs/dbraw/zinc/52/67/85/1279526785.db2.gz OSAIGBWDABPBBL-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1nsc(NCCN(CCO)C(=O)[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC001581719397 1280414373 /nfs/dbraw/zinc/41/43/73/1280414373.db2.gz JBOPKGPHEZIQLH-QMMMGPOBSA-N -1 1 350.408 0.024 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC001581727224 1280424821 /nfs/dbraw/zinc/42/48/21/1280424821.db2.gz NWIGPXOZVSDDBQ-UHFFFAOYSA-N -1 1 369.345 0.452 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC001581727224 1280424826 /nfs/dbraw/zinc/42/48/26/1280424826.db2.gz NWIGPXOZVSDDBQ-UHFFFAOYSA-N -1 1 369.345 0.452 20 30 FCEDMM Cc1onc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1-c1nnn[n-]1 ZINC001581739861 1280447504 /nfs/dbraw/zinc/44/75/04/1280447504.db2.gz ZMRWIFMFXDKGAV-UHFFFAOYSA-N -1 1 364.369 0.900 20 30 FCEDMM Cc1onc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1-c1nn[n-]n1 ZINC001581739861 1280447505 /nfs/dbraw/zinc/44/75/05/1280447505.db2.gz ZMRWIFMFXDKGAV-UHFFFAOYSA-N -1 1 364.369 0.900 20 30 FCEDMM N#CC1(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCOCC1 ZINC001581856945 1280608152 /nfs/dbraw/zinc/60/81/52/1280608152.db2.gz KJYZCXBWBXDBBX-UHFFFAOYSA-N -1 1 368.444 0.668 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1sncc1Br ZINC001581860696 1280612790 /nfs/dbraw/zinc/61/27/90/1280612790.db2.gz OOPUWCHBHWMWTI-UHFFFAOYSA-N -1 1 352.181 0.784 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)nc1-c1nn[nH]n1 ZINC001581860328 1280614553 /nfs/dbraw/zinc/61/45/53/1280614553.db2.gz VVPCCDIDKGUBJY-JTQLQIEISA-N -1 1 372.389 0.766 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001581864128 1280615848 /nfs/dbraw/zinc/61/58/48/1280615848.db2.gz HOIVEIKAAZXPQP-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001581864128 1280615859 /nfs/dbraw/zinc/61/58/59/1280615859.db2.gz HOIVEIKAAZXPQP-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)c[nH]1 ZINC001581865327 1280619227 /nfs/dbraw/zinc/61/92/27/1280619227.db2.gz HUSGTKMHKASIPI-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)c[nH]1 ZINC001581865327 1280619235 /nfs/dbraw/zinc/61/92/35/1280619235.db2.gz HUSGTKMHKASIPI-UHFFFAOYSA-N -1 1 364.373 0.621 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581865007 1280619271 /nfs/dbraw/zinc/61/92/71/1280619271.db2.gz AHWBCFZELNTLGO-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581865007 1280619276 /nfs/dbraw/zinc/61/92/76/1280619276.db2.gz AHWBCFZELNTLGO-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864775 1280619434 /nfs/dbraw/zinc/61/94/34/1280619434.db2.gz NICVPASHOYHVEE-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864775 1280619441 /nfs/dbraw/zinc/61/94/41/1280619441.db2.gz NICVPASHOYHVEE-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)ccc1F ZINC001581866660 1280620018 /nfs/dbraw/zinc/62/00/18/1280620018.db2.gz OSWPQTQZGPRQAI-UHFFFAOYSA-N -1 1 370.304 0.169 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c[nH]1 ZINC001581866148 1280620938 /nfs/dbraw/zinc/62/09/38/1280620938.db2.gz UJIYZOOIKUODFJ-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c[nH]1 ZINC001581866148 1280620943 /nfs/dbraw/zinc/62/09/43/1280620943.db2.gz UJIYZOOIKUODFJ-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001581866159 1280620972 /nfs/dbraw/zinc/62/09/72/1280620972.db2.gz UOGVAYJEIZGUGU-UHFFFAOYSA-N -1 1 354.399 0.742 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001581867496 1280623222 /nfs/dbraw/zinc/62/32/22/1280623222.db2.gz KOLNGOWYZMQDRI-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001581867496 1280623228 /nfs/dbraw/zinc/62/32/28/1280623228.db2.gz KOLNGOWYZMQDRI-UHFFFAOYSA-N -1 1 350.346 0.231 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581869099 1280625861 /nfs/dbraw/zinc/62/58/61/1280625861.db2.gz INKQTPQSNJCSGX-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581869099 1280625866 /nfs/dbraw/zinc/62/58/66/1280625866.db2.gz INKQTPQSNJCSGX-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cnc(Cn2cc(Br)cc(-c3nn[n-]n3)c2=O)nc1 ZINC001581877096 1280633108 /nfs/dbraw/zinc/63/31/08/1280633108.db2.gz QHXWSXGHHMWETQ-UHFFFAOYSA-N -1 1 359.147 0.501 20 30 FCEDMM N#Cc1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581875838 1280633403 /nfs/dbraw/zinc/63/34/03/1280633403.db2.gz SQGFZWDKLBDJIZ-UHFFFAOYSA-N -1 1 353.367 0.885 20 30 FCEDMM N#Cc1cccc2c1CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581875838 1280633409 /nfs/dbraw/zinc/63/34/09/1280633409.db2.gz SQGFZWDKLBDJIZ-UHFFFAOYSA-N -1 1 353.367 0.885 20 30 FCEDMM N#Cc1nc(N2CCCN(c3ncccc3F)CC2)cnc1-c1nnn[n-]1 ZINC001581879787 1280636812 /nfs/dbraw/zinc/63/68/12/1280636812.db2.gz XPRNMZYJRSQKTI-UHFFFAOYSA-N -1 1 366.364 0.779 20 30 FCEDMM N#Cc1nc(N2CCCN(c3ncccc3F)CC2)cnc1-c1nn[n-]n1 ZINC001581879787 1280636825 /nfs/dbraw/zinc/63/68/25/1280636825.db2.gz XPRNMZYJRSQKTI-UHFFFAOYSA-N -1 1 366.364 0.779 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)cnc1-c1nnn[n-]1 ZINC001581879530 1280637087 /nfs/dbraw/zinc/63/70/87/1280637087.db2.gz OMBJOEPZYFNUFU-GFCCVEGCSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)cnc1-c1nn[n-]n1 ZINC001581879530 1280637093 /nfs/dbraw/zinc/63/70/93/1280637093.db2.gz OMBJOEPZYFNUFU-GFCCVEGCSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2ccc(F)c(F)c2)cnc1-c1nnn[n-]1 ZINC001581880408 1280637157 /nfs/dbraw/zinc/63/71/57/1280637157.db2.gz ITNNKIZRMQZECE-QMMMGPOBSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1nc(NC[C@H](O)COc2ccc(F)c(F)c2)cnc1-c1nn[n-]n1 ZINC001581880408 1280637166 /nfs/dbraw/zinc/63/71/66/1280637166.db2.gz ITNNKIZRMQZECE-QMMMGPOBSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1ncc(N2CCN(C(=O)N3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC001581881835 1280641802 /nfs/dbraw/zinc/64/18/02/1280641802.db2.gz BVSNETBNBYATPY-UHFFFAOYSA-N -1 1 368.405 0.256 20 30 FCEDMM N#Cc1ncc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)nc1-c1nn[n-]n1 ZINC001581881861 1280642091 /nfs/dbraw/zinc/64/20/91/1280642091.db2.gz CQYUUYARQXCPRF-SJKOYZFVSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)cnc1-c1nnn[n-]1 ZINC001581880642 1280642313 /nfs/dbraw/zinc/64/23/13/1280642313.db2.gz QSCWXTYECMLCKQ-JTQLQIEISA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1nc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)cnc1-c1nn[n-]n1 ZINC001581880642 1280642324 /nfs/dbraw/zinc/64/23/24/1280642324.db2.gz QSCWXTYECMLCKQ-JTQLQIEISA-N -1 1 367.348 0.424 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@@H]2CC2CCOCC2)nc1-c1nn[n-]n1 ZINC001581882498 1280644548 /nfs/dbraw/zinc/64/45/48/1280644548.db2.gz AYOADTIOYFJXCY-LBPRGKRZSA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1ncc(N2CCO[C@@H](COc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581882680 1280645279 /nfs/dbraw/zinc/64/52/79/1280645279.db2.gz FRDHPPSZXZIKRQ-CYBMUJFWSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1ncc(N2CCN(c3ncccc3F)CC2)nc1-c1nn[n-]n1 ZINC001581882812 1280645540 /nfs/dbraw/zinc/64/55/40/1280645540.db2.gz IEBBMQHMTVCDEO-UHFFFAOYSA-N -1 1 352.337 0.389 20 30 FCEDMM N#Cc1ncc(NC[C@H](n2cccn2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581883336 1280646990 /nfs/dbraw/zinc/64/69/90/1280646990.db2.gz WQPADIFLCJDTCM-QMMMGPOBSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1ncc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)nc1-c1nn[n-]n1 ZINC001581884149 1280650638 /nfs/dbraw/zinc/65/06/38/1280650638.db2.gz MXBRBVVBEVXTLC-HZMBPMFUSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1ncc(NC[C@@]2(N3CCOCC3)CCSC2)nc1-c1nn[n-]n1 ZINC001581884018 1280650890 /nfs/dbraw/zinc/65/08/90/1280650890.db2.gz HFXYERYTNVCKST-HNNXBMFYSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1sccc1S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581885848 1280651767 /nfs/dbraw/zinc/65/17/67/1280651767.db2.gz OWWZZNBXSQUHLH-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM N#Cc1sccc1S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581885848 1280651781 /nfs/dbraw/zinc/65/17/81/1280651781.db2.gz OWWZZNBXSQUHLH-UHFFFAOYSA-N -1 1 353.414 0.735 20 30 FCEDMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685661 1287468969 /nfs/dbraw/zinc/46/89/69/1287468969.db2.gz AIKHQXWFYQZPRK-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685661 1287468972 /nfs/dbraw/zinc/46/89/72/1287468972.db2.gz AIKHQXWFYQZPRK-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685663 1287469212 /nfs/dbraw/zinc/46/92/12/1287469212.db2.gz AIKHQXWFYQZPRK-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603685663 1287469217 /nfs/dbraw/zinc/46/92/17/1287469217.db2.gz AIKHQXWFYQZPRK-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1CN(c2cc(C#N)ncn2)CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603939279 1287539308 /nfs/dbraw/zinc/53/93/08/1287539308.db2.gz KJFPBBAHVBVMLL-NSHDSACASA-N -1 1 363.389 0.281 20 30 FCEDMM C[C@H]1CN(c2cc(C#N)ncn2)CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603939279 1287539310 /nfs/dbraw/zinc/53/93/10/1287539310.db2.gz KJFPBBAHVBVMLL-NSHDSACASA-N -1 1 363.389 0.281 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328570 1282421513 /nfs/dbraw/zinc/42/15/13/1282421513.db2.gz KQUGJEIKGLVCTM-VXGBXAGGSA-N -1 1 351.363 0.465 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328490 1282421621 /nfs/dbraw/zinc/42/16/21/1282421621.db2.gz IFPQLTGUBIZAMT-CHWSQXEVSA-N -1 1 365.390 0.773 20 30 FCEDMM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC001588330238 1282421674 /nfs/dbraw/zinc/42/16/74/1282421674.db2.gz XWKVHZVMUMGXSO-LBPRGKRZSA-N -1 1 374.426 0.847 20 30 FCEDMM C#C[C@@H]1CCCN(c2nnc(Cn3cnc(-c4nn[n-]n4)n3)n2CC=C)C1 ZINC001588332647 1282425088 /nfs/dbraw/zinc/42/50/88/1282425088.db2.gz OTXLQFHKBKABFB-GFCCVEGCSA-N -1 1 365.405 0.134 20 30 FCEDMM C#CCC1(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCOCC1 ZINC001588335746 1282426720 /nfs/dbraw/zinc/42/67/20/1282426720.db2.gz WHTMLCIKIYSJEK-UHFFFAOYSA-N -1 1 353.429 0.779 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588336244 1282428803 /nfs/dbraw/zinc/42/88/03/1282428803.db2.gz KVRWZFQVEMIVOX-OLZOCXBDSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588336244 1282428804 /nfs/dbraw/zinc/42/88/04/1282428804.db2.gz KVRWZFQVEMIVOX-OLZOCXBDSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588339214 1282432048 /nfs/dbraw/zinc/43/20/48/1282432048.db2.gz WHKNVMBEUSDIIM-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588339214 1282432051 /nfs/dbraw/zinc/43/20/51/1282432051.db2.gz WHKNVMBEUSDIIM-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588338825 1282432443 /nfs/dbraw/zinc/43/24/43/1282432443.db2.gz HESHEQQQCZUCSX-QWHCGFSZSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001588338856 1282432696 /nfs/dbraw/zinc/43/26/96/1282432696.db2.gz PZYDRHATWNAMMR-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001588338856 1282432699 /nfs/dbraw/zinc/43/26/99/1282432699.db2.gz PZYDRHATWNAMMR-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588339131 1282432984 /nfs/dbraw/zinc/43/29/84/1282432984.db2.gz KTIJTTHHOYYWDH-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588339131 1282432989 /nfs/dbraw/zinc/43/29/89/1282432989.db2.gz KTIJTTHHOYYWDH-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588342282 1282439106 /nfs/dbraw/zinc/43/91/06/1282439106.db2.gz XBPQUNQCWZWBAO-CHWSQXEVSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588347419 1282442290 /nfs/dbraw/zinc/44/22/90/1282442290.db2.gz NYSWEUDAMFFUQA-ZDUSSCGKSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@@H](F)CC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588347419 1282442293 /nfs/dbraw/zinc/44/22/93/1282442293.db2.gz NYSWEUDAMFFUQA-ZDUSSCGKSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(C)=O)C1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588348646 1282443020 /nfs/dbraw/zinc/44/30/20/1282443020.db2.gz GHCFGYRREXPKKS-UHFFFAOYSA-N -1 1 354.418 0.670 20 30 FCEDMM C#CCN(C(C)=O)C1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001588348646 1282443026 /nfs/dbraw/zinc/44/30/26/1282443026.db2.gz GHCFGYRREXPKKS-UHFFFAOYSA-N -1 1 354.418 0.670 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001588355103 1282451971 /nfs/dbraw/zinc/45/19/71/1282451971.db2.gz FIXVHPFXIHKRLK-SRVKXCTJSA-N -1 1 373.442 0.459 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588355780 1282455462 /nfs/dbraw/zinc/45/54/62/1282455462.db2.gz MNUBBCZNYOOYLI-NEPJUHHUSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588355780 1282455466 /nfs/dbraw/zinc/45/54/66/1282455466.db2.gz MNUBBCZNYOOYLI-NEPJUHHUSA-N -1 1 370.417 0.270 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355879 1282456805 /nfs/dbraw/zinc/45/68/05/1282456805.db2.gz ORUHKIHGTXEECY-RYUDHWBXSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355879 1282456807 /nfs/dbraw/zinc/45/68/07/1282456807.db2.gz ORUHKIHGTXEECY-RYUDHWBXSA-N -1 1 356.390 0.016 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)CC(C)C ZINC001588356065 1282457438 /nfs/dbraw/zinc/45/74/38/1282457438.db2.gz SDISLJJYPZKLLI-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)CC(C)C ZINC001588356065 1282457432 /nfs/dbraw/zinc/45/74/32/1282457432.db2.gz SDISLJJYPZKLLI-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588356687 1282461684 /nfs/dbraw/zinc/46/16/84/1282461684.db2.gz DTRZPJSDBNMSFZ-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588357474 1282465836 /nfs/dbraw/zinc/46/58/36/1282465836.db2.gz KFRCZMKREWOZDS-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588357474 1282465839 /nfs/dbraw/zinc/46/58/39/1282465839.db2.gz KFRCZMKREWOZDS-DGCLKSJQSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588357742 1282466871 /nfs/dbraw/zinc/46/68/71/1282466871.db2.gz PWBUTABJPDNAFY-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588357742 1282466877 /nfs/dbraw/zinc/46/68/77/1282466877.db2.gz PWBUTABJPDNAFY-VOMCLLRMSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357772 1282466894 /nfs/dbraw/zinc/46/68/94/1282466894.db2.gz MPVXOPHKLYGFBR-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357772 1282466898 /nfs/dbraw/zinc/46/68/98/1282466898.db2.gz MPVXOPHKLYGFBR-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358029 1282467076 /nfs/dbraw/zinc/46/70/76/1282467076.db2.gz SHCDPQQXADOZGR-CYBMUJFWSA-N -1 1 372.433 0.336 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358029 1282467080 /nfs/dbraw/zinc/46/70/80/1282467080.db2.gz SHCDPQQXADOZGR-CYBMUJFWSA-N -1 1 372.433 0.336 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588358372 1282469227 /nfs/dbraw/zinc/46/92/27/1282469227.db2.gz RBVGFKODHAFFNS-GFCCVEGCSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588358372 1282469229 /nfs/dbraw/zinc/46/92/29/1282469229.db2.gz RBVGFKODHAFFNS-GFCCVEGCSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588358947 1282472416 /nfs/dbraw/zinc/47/24/16/1282472416.db2.gz DNURUMDFZHCCHY-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588358947 1282472421 /nfs/dbraw/zinc/47/24/21/1282472421.db2.gz DNURUMDFZHCCHY-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001588359709 1282475992 /nfs/dbraw/zinc/47/59/92/1282475992.db2.gz ALRMBUFGFXANIO-LLVKDONJSA-N -1 1 352.358 0.483 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588359971 1282477039 /nfs/dbraw/zinc/47/70/39/1282477039.db2.gz DMUPTIOYHGFQDJ-SDDRHHMPSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588359971 1282477045 /nfs/dbraw/zinc/47/70/45/1282477045.db2.gz DMUPTIOYHGFQDJ-SDDRHHMPSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588360678 1282478591 /nfs/dbraw/zinc/47/85/91/1282478591.db2.gz UPJDAIMGMYHDSQ-UPJWGTAASA-N -1 1 370.417 0.087 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588360678 1282478597 /nfs/dbraw/zinc/47/85/97/1282478597.db2.gz UPJDAIMGMYHDSQ-UPJWGTAASA-N -1 1 370.417 0.087 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360470 1282479091 /nfs/dbraw/zinc/47/90/91/1282479091.db2.gz QNYYJOYUXAPGES-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360470 1282479095 /nfs/dbraw/zinc/47/90/95/1282479095.db2.gz QNYYJOYUXAPGES-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NC/C=C/CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588361016 1282481296 /nfs/dbraw/zinc/48/12/96/1282481296.db2.gz BFEXRXZEAITOQF-SNAWJCMRSA-N -1 1 356.390 0.089 20 30 FCEDMM C#CCOCCC(=O)NC/C=C/CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588361016 1282481302 /nfs/dbraw/zinc/48/13/02/1282481302.db2.gz BFEXRXZEAITOQF-SNAWJCMRSA-N -1 1 356.390 0.089 20 30 FCEDMM C#CCOCCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361188 1282481668 /nfs/dbraw/zinc/48/16/68/1282481668.db2.gz GVFHHLNRPQEZSR-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361449 1282481755 /nfs/dbraw/zinc/48/17/55/1282481755.db2.gz NIGSWQLZPSSYMJ-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361449 1282481764 /nfs/dbraw/zinc/48/17/64/1282481764.db2.gz NIGSWQLZPSSYMJ-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588361941 1282485044 /nfs/dbraw/zinc/48/50/44/1282485044.db2.gz UWRXMYOYZSANTM-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588361941 1282485050 /nfs/dbraw/zinc/48/50/50/1282485050.db2.gz UWRXMYOYZSANTM-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588362821 1282489310 /nfs/dbraw/zinc/48/93/10/1282489310.db2.gz WKCZAIIMSQOIIE-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588362821 1282489315 /nfs/dbraw/zinc/48/93/15/1282489315.db2.gz WKCZAIIMSQOIIE-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588365234 1282491491 /nfs/dbraw/zinc/49/14/91/1282491491.db2.gz QKFYVNLAJYNXFF-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001588379485 1282495237 /nfs/dbraw/zinc/49/52/37/1282495237.db2.gz ICOYAMDHESVPDG-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001588379485 1282495241 /nfs/dbraw/zinc/49/52/41/1282495241.db2.gz ICOYAMDHESVPDG-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001588380475 1282496552 /nfs/dbraw/zinc/49/65/52/1282496552.db2.gz GDHVIOBELLPEAY-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001588380475 1282496561 /nfs/dbraw/zinc/49/65/61/1282496561.db2.gz GDHVIOBELLPEAY-LLVKDONJSA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381072 1282497718 /nfs/dbraw/zinc/49/77/18/1282497718.db2.gz SLYWYGQTYZRARE-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](CC)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381072 1282497723 /nfs/dbraw/zinc/49/77/23/1282497723.db2.gz SLYWYGQTYZRARE-CYBMUJFWSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@H](CC(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403246 1282499621 /nfs/dbraw/zinc/49/96/21/1282499621.db2.gz XYKSTOWPGINSBW-NEPJUHHUSA-N -1 1 360.422 0.367 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403000 1282499780 /nfs/dbraw/zinc/49/97/80/1282499780.db2.gz RSZHMMQNMIZBBJ-STQMWFEESA-N -1 1 374.449 0.709 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588402294 1282500249 /nfs/dbraw/zinc/50/02/49/1282500249.db2.gz FBRMCLPUJDMXHX-CHWSQXEVSA-N -1 1 374.449 0.969 20 30 FCEDMM C=C(C)C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588406362 1282502227 /nfs/dbraw/zinc/50/22/27/1282502227.db2.gz 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C=CCCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588588110 1282577703 /nfs/dbraw/zinc/57/77/03/1282577703.db2.gz DGOUZLKAGHCQOB-STQMWFEESA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001588588317 1282577936 /nfs/dbraw/zinc/57/79/36/1282577936.db2.gz KLYSJLDGVJVWAO-BETUJISGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001588588317 1282577947 /nfs/dbraw/zinc/57/79/47/1282577947.db2.gz KLYSJLDGVJVWAO-BETUJISGSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588590181 1282579122 /nfs/dbraw/zinc/57/91/22/1282579122.db2.gz BINUCVOFTULYPT-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588590181 1282579131 /nfs/dbraw/zinc/57/91/31/1282579131.db2.gz BINUCVOFTULYPT-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001588590867 1282579442 /nfs/dbraw/zinc/57/94/42/1282579442.db2.gz YWUGYXLLUXEVCE-CHWSQXEVSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001588590867 1282579452 /nfs/dbraw/zinc/57/94/52/1282579452.db2.gz YWUGYXLLUXEVCE-CHWSQXEVSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588608089 1282580992 /nfs/dbraw/zinc/58/09/92/1282580992.db2.gz DXJRUEGUBJQAQJ-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588608089 1282580999 /nfs/dbraw/zinc/58/09/99/1282580999.db2.gz DXJRUEGUBJQAQJ-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588608394 1282584053 /nfs/dbraw/zinc/58/40/53/1282584053.db2.gz LNAWWIQSLMREPI-RYUDHWBXSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588608394 1282584058 /nfs/dbraw/zinc/58/40/58/1282584058.db2.gz LNAWWIQSLMREPI-RYUDHWBXSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588609468 1282586761 /nfs/dbraw/zinc/58/67/61/1282586761.db2.gz XIBWXSYMVMTCEN-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588609468 1282586767 /nfs/dbraw/zinc/58/67/67/1282586767.db2.gz XIBWXSYMVMTCEN-RYUDHWBXSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588610390 1282586997 /nfs/dbraw/zinc/58/69/97/1282586997.db2.gz CXLXYDXNTVDFTN-UHFFFAOYSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588609707 1282587495 /nfs/dbraw/zinc/58/74/95/1282587495.db2.gz ZXMIIQOXBWDILB-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588609707 1282587507 /nfs/dbraw/zinc/58/75/07/1282587507.db2.gz ZXMIIQOXBWDILB-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588615911 1282592528 /nfs/dbraw/zinc/59/25/28/1282592528.db2.gz NAMDMGPXHMFZDB-HAQNSBGRSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588615911 1282592538 /nfs/dbraw/zinc/59/25/38/1282592538.db2.gz NAMDMGPXHMFZDB-HAQNSBGRSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588616210 1282596199 /nfs/dbraw/zinc/59/61/99/1282596199.db2.gz AHJOCMSXDSWFRK-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588616210 1282596211 /nfs/dbraw/zinc/59/62/11/1282596211.db2.gz AHJOCMSXDSWFRK-CHWSQXEVSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588616815 1282599106 /nfs/dbraw/zinc/59/91/06/1282599106.db2.gz MIZZKROORUKETK-UHFFFAOYSA-N -1 1 358.406 0.288 20 30 FCEDMM C=CCCOCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588616815 1282599113 /nfs/dbraw/zinc/59/91/13/1282599113.db2.gz MIZZKROORUKETK-UHFFFAOYSA-N -1 1 358.406 0.288 20 30 FCEDMM C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCc1nn[n-]n1 ZINC001588640747 1282604676 /nfs/dbraw/zinc/60/46/76/1282604676.db2.gz ZIWVGMZKYIGYCE-UHFFFAOYSA-N -1 1 353.390 0.917 20 30 FCEDMM C=CCOCC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588665540 1282619669 /nfs/dbraw/zinc/61/96/69/1282619669.db2.gz MQDNVRPUEKVKAG-ZDUSSCGKSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588665540 1282619684 /nfs/dbraw/zinc/61/96/84/1282619684.db2.gz MQDNVRPUEKVKAG-ZDUSSCGKSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588667239 1282624854 /nfs/dbraw/zinc/62/48/54/1282624854.db2.gz SUZJYUMSYYYWIN-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588667239 1282624865 /nfs/dbraw/zinc/62/48/65/1282624865.db2.gz SUZJYUMSYYYWIN-NEPJUHHUSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001588682192 1282641895 /nfs/dbraw/zinc/64/18/95/1282641895.db2.gz JNHDWFOQXLABGC-TZMCWYRMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588682192 1282641907 /nfs/dbraw/zinc/64/19/07/1282641907.db2.gz JNHDWFOQXLABGC-TZMCWYRMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCn1c(C)cc(C(=O)Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c1C ZINC001588703460 1282651927 /nfs/dbraw/zinc/65/19/27/1282651927.db2.gz PPCYVJRKKVVLOT-UHFFFAOYSA-N -1 1 355.358 0.616 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC001588699182 1282652861 /nfs/dbraw/zinc/65/28/61/1282652861.db2.gz FFIKODGFOVMNAY-WDEREUQCSA-N -1 1 356.394 0.648 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001588723458 1282670121 /nfs/dbraw/zinc/67/01/21/1282670121.db2.gz NHBVKGPJSPTHGG-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001588723458 1282670138 /nfs/dbraw/zinc/67/01/38/1282670138.db2.gz NHBVKGPJSPTHGG-OCCSQVGLSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588722912 1282671940 /nfs/dbraw/zinc/67/19/40/1282671940.db2.gz DSIVFOBKJVXVQL-AGIUHOORSA-N -1 1 372.433 0.222 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588723461 1282672544 /nfs/dbraw/zinc/67/25/44/1282672544.db2.gz NKHPZRFBHAOBDU-XBFCOCLRSA-N -1 1 372.433 0.801 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588723461 1282672552 /nfs/dbraw/zinc/67/25/52/1282672552.db2.gz NKHPZRFBHAOBDU-XBFCOCLRSA-N -1 1 372.433 0.801 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC=CCNc1nccnc1-c1nnn[n-]1 ZINC001588723531 1282672688 /nfs/dbraw/zinc/67/26/88/1282672688.db2.gz OTJFFDFWXRLHBP-BKGLOODYSA-N -1 1 356.390 0.332 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC=CCNc1nccnc1-c1nn[n-]n1 ZINC001588723531 1282672708 /nfs/dbraw/zinc/67/27/08/1282672708.db2.gz OTJFFDFWXRLHBP-BKGLOODYSA-N -1 1 356.390 0.332 20 30 FCEDMM CC#CC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-] ZINC001588737803 1282678634 /nfs/dbraw/zinc/67/86/34/1282678634.db2.gz IRXASZIDYMMWBW-JTQLQIEISA-N -1 1 371.325 0.290 20 30 FCEDMM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001588878125 1282723643 /nfs/dbraw/zinc/72/36/43/1282723643.db2.gz XNGQKUNIGGOQIK-UHFFFAOYSA-N -1 1 355.293 0.811 20 30 FCEDMM C[C@@H](C(=O)Nc1ncccc1OCCCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589024968 1282775549 /nfs/dbraw/zinc/77/55/49/1282775549.db2.gz GMQNBFUPQIWWFN-JTQLQIEISA-N -1 1 368.361 0.735 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001589068853 1282792736 /nfs/dbraw/zinc/79/27/36/1282792736.db2.gz YEXUYOCALCADJW-GFCCVEGCSA-N -1 1 354.418 0.531 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C#N)C1 ZINC001589158315 1282810493 /nfs/dbraw/zinc/81/04/93/1282810493.db2.gz XAVOHAYCDNCFQW-UWVGGRQHSA-N -1 1 357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589384593 1282860602 /nfs/dbraw/zinc/86/06/02/1282860602.db2.gz LACHTDAJIDIRDF-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589384593 1282860615 /nfs/dbraw/zinc/86/06/15/1282860615.db2.gz LACHTDAJIDIRDF-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001589384678 1282860804 /nfs/dbraw/zinc/86/08/04/1282860804.db2.gz NERNKMSNEYMMSO-GJZGRUSLSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001589384678 1282860818 /nfs/dbraw/zinc/86/08/18/1282860818.db2.gz NERNKMSNEYMMSO-GJZGRUSLSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001589389776 1282868462 /nfs/dbraw/zinc/86/84/62/1282868462.db2.gz MTZNVQXHQVQFPE-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001589389776 1282868469 /nfs/dbraw/zinc/86/84/69/1282868469.db2.gz MTZNVQXHQVQFPE-CYBMUJFWSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001589390069 1282870842 /nfs/dbraw/zinc/87/08/42/1282870842.db2.gz ZQGMAOQPFSPJQE-CHWSQXEVSA-N -1 1 354.418 0.505 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001589390069 1282870852 /nfs/dbraw/zinc/87/08/52/1282870852.db2.gz ZQGMAOQPFSPJQE-CHWSQXEVSA-N -1 1 354.418 0.505 20 30 FCEDMM CC(C)[C@H](C#N)N1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589412359 1282872629 /nfs/dbraw/zinc/87/26/29/1282872629.db2.gz DRPODPAQYOZFJL-HNNXBMFYSA-N -1 1 354.418 0.497 20 30 FCEDMM CC(C)[C@H](C#N)N1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589412359 1282872635 /nfs/dbraw/zinc/87/26/35/1282872635.db2.gz DRPODPAQYOZFJL-HNNXBMFYSA-N -1 1 354.418 0.497 20 30 FCEDMM C[C@@H](CN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)c1nn[n-]n1 ZINC001589836458 1283075954 /nfs/dbraw/zinc/07/59/54/1283075954.db2.gz NXZATNWLSHHKMA-GWCFXTLKSA-N -1 1 366.389 0.324 20 30 FCEDMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CSCC#N)C1CC1 ZINC001589879838 1283106477 /nfs/dbraw/zinc/10/64/77/1283106477.db2.gz QQDLSOKMBRWXQA-HNNXBMFYSA-N -1 1 373.446 0.610 20 30 FCEDMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CSCC#N)C1CC1 ZINC001589879838 1283106481 /nfs/dbraw/zinc/10/64/81/1283106481.db2.gz QQDLSOKMBRWXQA-HNNXBMFYSA-N -1 1 373.446 0.610 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108937 1283219728 /nfs/dbraw/zinc/21/97/28/1283219728.db2.gz BSFLOIMEJXXGKS-ZDUSSCGKSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108937 1283219732 /nfs/dbraw/zinc/21/97/32/1283219732.db2.gz BSFLOIMEJXXGKS-ZDUSSCGKSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(NC(=O)C#CC2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001590142854 1283240548 /nfs/dbraw/zinc/24/05/48/1283240548.db2.gz RJVIRQSEIIFOSN-UHFFFAOYSA-N -1 1 352.402 0.545 20 30 FCEDMM CC1(NC(=O)C#CC2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001590142854 1283240553 /nfs/dbraw/zinc/24/05/53/1283240553.db2.gz RJVIRQSEIIFOSN-UHFFFAOYSA-N -1 1 352.402 0.545 20 30 FCEDMM CCOC(=O)c1ccc(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC001604389123 1287628401 /nfs/dbraw/zinc/62/84/01/1287628401.db2.gz RLRFDJWEOMGELR-UHFFFAOYSA-N -1 1 351.326 0.994 20 30 FCEDMM C[C@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590169862 1283263742 /nfs/dbraw/zinc/26/37/42/1283263742.db2.gz FETKWTJPJXKWFR-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590169862 1283263749 /nfs/dbraw/zinc/26/37/49/1283263749.db2.gz FETKWTJPJXKWFR-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590170497 1283267104 /nfs/dbraw/zinc/26/71/04/1283267104.db2.gz KZOQLASACZRJJQ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590170497 1283267115 /nfs/dbraw/zinc/26/71/15/1283267115.db2.gz KZOQLASACZRJJQ-GHMZBOCLSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590196860 1283305626 /nfs/dbraw/zinc/30/56/26/1283305626.db2.gz MBUXHWRQMQLSDM-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590196860 1283305634 /nfs/dbraw/zinc/30/56/34/1283305634.db2.gz MBUXHWRQMQLSDM-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CSCC#N ZINC001590208243 1283328660 /nfs/dbraw/zinc/32/86/60/1283328660.db2.gz CZWHMBYJMWYBNO-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CSCC#N ZINC001590208243 1283328674 /nfs/dbraw/zinc/32/86/74/1283328674.db2.gz CZWHMBYJMWYBNO-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590232584 1283365325 /nfs/dbraw/zinc/36/53/25/1283365325.db2.gz CAFLNFCBJKNYJD-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)CSCC#N)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590232584 1283365337 /nfs/dbraw/zinc/36/53/37/1283365337.db2.gz CAFLNFCBJKNYJD-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001590255881 1283380621 /nfs/dbraw/zinc/38/06/21/1283380621.db2.gz YKYMIAQXAREPJZ-AAEUAGOBSA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001590282569 1283409093 /nfs/dbraw/zinc/40/90/93/1283409093.db2.gz QFYGBGMVXDRPEB-SNVBAGLBSA-N -1 1 363.385 0.885 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590284338 1283411130 /nfs/dbraw/zinc/41/11/30/1283411130.db2.gz RFWWJCOUTJCVQU-WCQYABFASA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590284338 1283411134 /nfs/dbraw/zinc/41/11/34/1283411134.db2.gz RFWWJCOUTJCVQU-WCQYABFASA-N -1 1 352.402 0.577 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590283329 1283411141 /nfs/dbraw/zinc/41/11/41/1283411141.db2.gz MSOCEPIBWHDEID-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590283329 1283411147 /nfs/dbraw/zinc/41/11/47/1283411147.db2.gz MSOCEPIBWHDEID-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001604522569 1287650279 /nfs/dbraw/zinc/65/02/79/1287650279.db2.gz ZRDYBPJURWXASN-ZWNOBZJWSA-N -1 1 351.374 0.963 20 30 FCEDMM CCOC(=O)c1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)on1 ZINC001590773649 1283833049 /nfs/dbraw/zinc/83/30/49/1283833049.db2.gz VOXVHQXJSMUBOS-UHFFFAOYSA-N -1 1 357.330 0.692 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001591055382 1284113145 /nfs/dbraw/zinc/11/31/45/1284113145.db2.gz GTQGSEKLXSBRKJ-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001591055382 1284113160 /nfs/dbraw/zinc/11/31/60/1284113160.db2.gz GTQGSEKLXSBRKJ-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001591055680 1284113579 /nfs/dbraw/zinc/11/35/79/1284113579.db2.gz HLLCUSOGDXAUCJ-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001591055680 1284113586 /nfs/dbraw/zinc/11/35/86/1284113586.db2.gz HLLCUSOGDXAUCJ-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM COC(=O)c1[nH]c(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1C ZINC001591284463 1284442434 /nfs/dbraw/zinc/44/24/34/1284442434.db2.gz MIHKGSXLJBGPOD-UHFFFAOYSA-N -1 1 355.358 0.951 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C#N)c2F)c1 ZINC001591285635 1284445187 /nfs/dbraw/zinc/44/51/87/1284445187.db2.gz KZXQSZYKBIURHO-UHFFFAOYSA-N -1 1 354.301 0.874 20 30 FCEDMM COc1ccccc1S(=O)(=O)CCCn1cnc(-c2nn[n-]n2)c1C#N ZINC001591654509 1284782776 /nfs/dbraw/zinc/78/27/76/1284782776.db2.gz PXOQMRMPYCKNJW-UHFFFAOYSA-N -1 1 373.398 0.807 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)s2)c(=O)n1C1CC1 ZINC001591795612 1284910132 /nfs/dbraw/zinc/91/01/32/1284910132.db2.gz ZHWJMHBPEWYBOJ-UHFFFAOYSA-N -1 1 355.383 0.815 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCNc1ccc(C#N)cn1 ZINC001591835349 1284941848 /nfs/dbraw/zinc/94/18/48/1284941848.db2.gz IDPRDFGZBTZNDM-UHFFFAOYSA-N -1 1 365.357 0.384 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591902211 1284993331 /nfs/dbraw/zinc/99/33/31/1284993331.db2.gz KDYCXTDJRAXMIQ-CYBMUJFWSA-N -1 1 352.402 0.781 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001591902211 1284993337 /nfs/dbraw/zinc/99/33/37/1284993337.db2.gz KDYCXTDJRAXMIQ-CYBMUJFWSA-N -1 1 352.402 0.781 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC001592334671 1285245028 /nfs/dbraw/zinc/24/50/28/1285245028.db2.gz DHEMAPAVYAFVON-BXUZGUMPSA-N -1 1 372.433 0.955 20 30 FCEDMM CN(CCNc1ccnc(-c2nn[n-]n2)n1)C(=O)CC#Cc1ccccc1 ZINC001604773722 1287775198 /nfs/dbraw/zinc/77/51/98/1287775198.db2.gz BLDVMQQKMRUQPT-UHFFFAOYSA-N -1 1 362.397 0.391 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001604831744 1287792711 /nfs/dbraw/zinc/79/27/11/1287792711.db2.gz RNAWEKWIGBVJIK-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001604831744 1287792715 /nfs/dbraw/zinc/79/27/15/1287792715.db2.gz RNAWEKWIGBVJIK-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM N#CCCN(C(=O)Cn1cncc(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC001592676995 1285569984 /nfs/dbraw/zinc/56/99/84/1285569984.db2.gz ONBBJDZPZAIZKQ-UHFFFAOYSA-N -1 1 350.342 0.370 20 30 FCEDMM N#CCSCC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001592679223 1285574141 /nfs/dbraw/zinc/57/41/41/1285574141.db2.gz JFLNEORSTKTOPP-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001592679223 1285574146 /nfs/dbraw/zinc/57/41/46/1285574146.db2.gz JFLNEORSTKTOPP-UHFFFAOYSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592679233 1285574297 /nfs/dbraw/zinc/57/42/97/1285574297.db2.gz JJKOHRDGBMAQBA-UHFFFAOYSA-N -1 1 371.430 0.166 20 30 FCEDMM N#CCSCC(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592679233 1285574302 /nfs/dbraw/zinc/57/43/02/1285574302.db2.gz JJKOHRDGBMAQBA-UHFFFAOYSA-N -1 1 371.430 0.166 20 30 FCEDMM N#CCSCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001592679306 1285575892 /nfs/dbraw/zinc/57/58/92/1285575892.db2.gz MBOANBYBHXLPIJ-LLVKDONJSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001592679306 1285575897 /nfs/dbraw/zinc/57/58/97/1285575897.db2.gz MBOANBYBHXLPIJ-LLVKDONJSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001592679370 1285576838 /nfs/dbraw/zinc/57/68/38/1285576838.db2.gz OSLKXUALEMOBLK-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001592679370 1285576845 /nfs/dbraw/zinc/57/68/45/1285576845.db2.gz OSLKXUALEMOBLK-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001592679280 1285577576 /nfs/dbraw/zinc/57/75/76/1285577576.db2.gz LGLRUMYHQXJWHE-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001592679280 1285577582 /nfs/dbraw/zinc/57/75/82/1285577582.db2.gz LGLRUMYHQXJWHE-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592680499 1285578256 /nfs/dbraw/zinc/57/82/56/1285578256.db2.gz PYPXDAOVESOPQH-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592680499 1285578260 /nfs/dbraw/zinc/57/82/60/1285578260.db2.gz PYPXDAOVESOPQH-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCc1ccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592681650 1285580218 /nfs/dbraw/zinc/58/02/18/1285580218.db2.gz FIXLPWOGWWUODB-UHFFFAOYSA-N -1 1 352.362 0.024 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)N(Cc1ccccc1)C1CC1 ZINC001592681619 1285582172 /nfs/dbraw/zinc/58/21/72/1285582172.db2.gz GRPSEPZUHXSXNU-UHFFFAOYSA-N -1 1 363.385 0.708 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001592690711 1285585019 /nfs/dbraw/zinc/58/50/19/1285585019.db2.gz UITSNBVBDFRQCG-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001592690711 1285585030 /nfs/dbraw/zinc/58/50/30/1285585030.db2.gz UITSNBVBDFRQCG-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)o3)C2)cc1 ZINC001592695780 1285588907 /nfs/dbraw/zinc/58/89/07/1285588907.db2.gz LFFJWCAHDWJVES-UHFFFAOYSA-N -1 1 372.366 0.783 20 30 FCEDMM N#Cc1ncc(N2CCC(CN3CCCCC3=O)CC2)nc1-c1nn[n-]n1 ZINC001592708366 1285592943 /nfs/dbraw/zinc/59/29/43/1285592943.db2.gz LZNRKZFOOYPUJW-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1cncc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001592704944 1285593035 /nfs/dbraw/zinc/59/30/35/1285593035.db2.gz ZHCZBACALRHUBP-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592766116 1285688351 /nfs/dbraw/zinc/68/83/51/1285688351.db2.gz CXCPHLUMESIHIT-CYBMUJFWSA-N -1 1 352.402 0.863 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592766116 1285688361 /nfs/dbraw/zinc/68/83/61/1285688361.db2.gz CXCPHLUMESIHIT-CYBMUJFWSA-N -1 1 352.402 0.863 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592768030 1285690292 /nfs/dbraw/zinc/69/02/92/1285690292.db2.gz XHOXFNPIELASHL-CHWSQXEVSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592768030 1285690302 /nfs/dbraw/zinc/69/03/02/1285690302.db2.gz XHOXFNPIELASHL-CHWSQXEVSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592768320 1285692143 /nfs/dbraw/zinc/69/21/43/1285692143.db2.gz HQZQIQYSNURDJR-CQSZACIVSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001592768654 1285693464 /nfs/dbraw/zinc/69/34/64/1285693464.db2.gz NWLZPCZOPQDWLW-UHFFFAOYSA-N -1 1 358.427 0.005 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001592768901 1285693672 /nfs/dbraw/zinc/69/36/72/1285693672.db2.gz QJANWEHICQHAOZ-KGLIPLIRSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001592768901 1285693674 /nfs/dbraw/zinc/69/36/74/1285693674.db2.gz QJANWEHICQHAOZ-KGLIPLIRSA-N -1 1 364.413 0.909 20 30 FCEDMM N#CCOc1cccc(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001601074344 1286628435 /nfs/dbraw/zinc/62/84/35/1286628435.db2.gz SXYBHCCSVYBKLR-LJQANCHMSA-N -1 1 373.409 0.519 20 30 FCEDMM N#Cc1cc(F)c(S(=O)(=O)NCCC(=O)NCCC(=O)[O-])c(F)c1 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/nfs/dbraw/zinc/98/60/31/946986031.db2.gz BOVHAUPLJSNHLO-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573564469 946994037 /nfs/dbraw/zinc/99/40/37/946994037.db2.gz JBZWHRMZKURSHD-LLVKDONJSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573564469 946994040 /nfs/dbraw/zinc/99/40/40/946994040.db2.gz JBZWHRMZKURSHD-LLVKDONJSA-N -1 1 355.406 0.857 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573294714 946997822 /nfs/dbraw/zinc/99/78/22/946997822.db2.gz JLXXTRUIKBVKCF-FZMZJTMJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573294714 946997826 /nfs/dbraw/zinc/99/78/26/946997826.db2.gz JLXXTRUIKBVKCF-FZMZJTMJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=C(Cl)C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(=O)OCC ZINC001573295327 947014676 /nfs/dbraw/zinc/01/46/76/947014676.db2.gz PBOSUGBLUSDMIL-IUCAKERBSA-N -1 1 368.785 0.210 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573566287 947021836 /nfs/dbraw/zinc/02/18/36/947021836.db2.gz AQKMJRDKYNMLBT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573566287 947021849 /nfs/dbraw/zinc/02/18/49/947021849.db2.gz AQKMJRDKYNMLBT-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573567352 947044818 /nfs/dbraw/zinc/04/48/18/947044818.db2.gz MBJXMKFLYHMJLJ-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573567352 947044828 /nfs/dbraw/zinc/04/48/28/947044828.db2.gz MBJXMKFLYHMJLJ-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573567601 947048551 /nfs/dbraw/zinc/04/85/51/947048551.db2.gz PKCIECXAZPXMSG-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573567601 947048564 /nfs/dbraw/zinc/04/85/64/947048564.db2.gz PKCIECXAZPXMSG-UTUOFQBUSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567703 947051484 /nfs/dbraw/zinc/05/14/84/947051484.db2.gz RFRLMVUVMQONOX-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567703 947051494 /nfs/dbraw/zinc/05/14/94/947051494.db2.gz RFRLMVUVMQONOX-NWDGAFQWSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573569538 947069986 /nfs/dbraw/zinc/06/99/86/947069986.db2.gz ATVRASHJMXOOGZ-LQAWEQHXSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573569538 947069998 /nfs/dbraw/zinc/06/99/98/947069998.db2.gz ATVRASHJMXOOGZ-LQAWEQHXSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573569560 947073853 /nfs/dbraw/zinc/07/38/53/947073853.db2.gz BJYWDLBELNZWRE-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573569560 947073866 /nfs/dbraw/zinc/07/38/66/947073866.db2.gz BJYWDLBELNZWRE-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001573300780 947122787 /nfs/dbraw/zinc/12/27/87/947122787.db2.gz NNKVQROCQXGDEO-UHFFFAOYSA-N -1 1 363.341 0.516 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573573928 947126543 /nfs/dbraw/zinc/12/65/43/947126543.db2.gz PRGRVSDBXTUCGY-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573573928 947126552 /nfs/dbraw/zinc/12/65/52/947126552.db2.gz PRGRVSDBXTUCGY-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573574332 947128673 /nfs/dbraw/zinc/12/86/73/947128673.db2.gz RDJOOEXVEVSSOR-UVWXRNBGSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573574332 947128679 /nfs/dbraw/zinc/12/86/79/947128679.db2.gz RDJOOEXVEVSSOR-UVWXRNBGSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573575512 947139198 /nfs/dbraw/zinc/13/91/98/947139198.db2.gz ABPFMUWGNOMLCM-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573575512 947139205 /nfs/dbraw/zinc/13/92/05/947139205.db2.gz ABPFMUWGNOMLCM-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573577066 947159739 /nfs/dbraw/zinc/15/97/39/947159739.db2.gz LRIBASOBFSXVSV-MEDUHNTESA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573577066 947159746 /nfs/dbraw/zinc/15/97/46/947159746.db2.gz LRIBASOBFSXVSV-MEDUHNTESA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573577101 947162171 /nfs/dbraw/zinc/16/21/71/947162171.db2.gz MBKREQHJCZKQAS-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573577101 947162176 /nfs/dbraw/zinc/16/21/76/947162176.db2.gz MBKREQHJCZKQAS-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573577186 947164264 /nfs/dbraw/zinc/16/42/64/947164264.db2.gz NDXRAJYTSQXLDA-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577186 947164268 /nfs/dbraw/zinc/16/42/68/947164268.db2.gz NDXRAJYTSQXLDA-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309151 947191091 /nfs/dbraw/zinc/19/10/91/947191091.db2.gz 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C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573316336 947271710 /nfs/dbraw/zinc/27/17/10/947271710.db2.gz VRQRCUWODZGIAZ-STQMWFEESA-N -1 1 372.433 0.898 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573586187 947279226 /nfs/dbraw/zinc/27/92/26/947279226.db2.gz LKBJBFBOGLLNBX-RULNZFCNSA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573587208 947303302 /nfs/dbraw/zinc/30/33/02/947303302.db2.gz XZBDHBXGJVZMJF-JAKMQLQISA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573587208 947303316 /nfs/dbraw/zinc/30/33/16/947303316.db2.gz XZBDHBXGJVZMJF-JAKMQLQISA-N -1 1 364.822 0.687 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573335756 947487930 /nfs/dbraw/zinc/48/79/30/947487930.db2.gz DAFIMJGSIAYBQT-RYUDHWBXSA-N -1 1 356.390 0.039 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573336220 947504271 /nfs/dbraw/zinc/50/42/71/947504271.db2.gz LFKPJUQKMUCVAX-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573336220 947504280 /nfs/dbraw/zinc/50/42/80/947504280.db2.gz LFKPJUQKMUCVAX-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573337143 947513124 /nfs/dbraw/zinc/51/31/24/947513124.db2.gz VECOKLXPMPRNOR-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573337120 947513877 /nfs/dbraw/zinc/51/38/77/947513877.db2.gz UWKVHVMCDJADBX-BZPMIXESSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573337120 947513886 /nfs/dbraw/zinc/51/38/86/947513886.db2.gz UWKVHVMCDJADBX-BZPMIXESSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573337158 947514594 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CC(=O)N/C(=C\c1cc(F)ccc1F)C(=O)N([O-])C(=N)c1nonc1N ZINC001185719908 1206485045 /nfs/dbraw/zinc/48/50/45/1206485045.db2.gz NSARZWDGAIYALQ-CJWGJNLSSA-N -1 1 366.284 0.650 20 30 FCEDMM COc1cc(OC)nc(C(=O)[N-]c2c(C#N)cnc3c(C#N)cnn32)n1 ZINC001189217960 1207525777 /nfs/dbraw/zinc/52/57/77/1207525777.db2.gz CLQZPZNSELPBGR-UHFFFAOYSA-N -1 1 350.298 0.532 20 30 FCEDMM C[C@@H](C#N)S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)Nc1ccc2ccccc2c1 ZINC001193192557 1207863551 /nfs/dbraw/zinc/86/35/51/1207863551.db2.gz DZFROJMSNDERDF-NHYWBVRUSA-N -1 1 374.422 0.854 20 30 FCEDMM N#Cc1ccc(C(=O)N2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)c(O)c1 ZINC001195741251 1208038110 /nfs/dbraw/zinc/03/81/10/1208038110.db2.gz KSYQOSPSKBBEJH-UHFFFAOYSA-N -1 1 367.365 0.615 20 30 FCEDMM N#Cc1ccc(C(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)c([O-])c1 ZINC001195741251 1208038113 /nfs/dbraw/zinc/03/81/13/1208038113.db2.gz KSYQOSPSKBBEJH-UHFFFAOYSA-N -1 1 367.365 0.615 20 30 FCEDMM C#CCN1CCN(C(=O)CO[N-]C(=O)CCc2ccc(OC)cc2)CC1 ZINC000871798553 1210170730 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FCEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001122442094 1222274251 /nfs/dbraw/zinc/27/42/51/1222274251.db2.gz JXSBAFNPOGGAJU-UHFFFAOYSA-N -1 1 371.371 0.642 20 30 FCEDMM CCOC(=O)CC1(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)COC1 ZINC001154558912 1223011801 /nfs/dbraw/zinc/01/18/01/1223011801.db2.gz CRGVSCXYTCSZCV-UHFFFAOYSA-N -1 1 355.350 0.852 20 30 FCEDMM COC(=O)n1ncc(C#N)c1[N-]c1ncc2c(n1)N1CCC[C@@H]1C(=O)N2C ZINC001158965424 1223113888 /nfs/dbraw/zinc/11/38/88/1223113888.db2.gz RZGFSMIIWVYJFZ-SNVBAGLBSA-N -1 1 368.357 0.848 20 30 FCEDMM C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC000997769908 1251696615 /nfs/dbraw/zinc/69/66/15/1251696615.db2.gz RCSXUCFOGYHFHB-UGUYLWEFSA-N -1 1 368.437 0.747 20 30 FCEDMM N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)Cn4c(=O)[n-][nH]c4=O)[C@@H]3C2)c1 ZINC001084799039 1258338533 /nfs/dbraw/zinc/33/85/33/1258338533.db2.gz OMCGAPPJHRGBGI-HUUCEWRRSA-N -1 1 368.397 0.294 20 30 FCEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001262526566 1260323773 /nfs/dbraw/zinc/32/37/73/1260323773.db2.gz LFZVEYQDGAVKNE-GRYCIOLGSA-N -1 1 374.363 0.807 20 30 FCEDMM Cn1c(=O)[n-]c(NCCN2CCN(Cc3ccccc3)CC2)c(C#N)c1=O ZINC001337759488 1260478697 /nfs/dbraw/zinc/47/86/97/1260478697.db2.gz MIQAFTNVJMWTAU-UHFFFAOYSA-N -1 1 368.441 0.175 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001580382285 1278198816 /nfs/dbraw/zinc/19/88/16/1278198816.db2.gz AXGNUSVSICSNMI-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001580382285 1278198819 /nfs/dbraw/zinc/19/88/19/1278198819.db2.gz AXGNUSVSICSNMI-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM C#CCN1CCN(c2nnc(Cc3nn[n-]n3)n2Cc2ccccc2)CC1 ZINC001341316772 1268935309 /nfs/dbraw/zinc/93/53/09/1268935309.db2.gz ADUVGKTXVYTPQZ-UHFFFAOYSA-N -1 1 363.429 0.186 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 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DVTMRLRORSIVJG-UHFFFAOYSA-N -1 1 357.378 0.950 20 30 FCEDMM C[C@H](C[C@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574551874 1271341556 /nfs/dbraw/zinc/34/15/56/1271341556.db2.gz HKKIKVYWXYVKFY-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574551874 1271341563 /nfs/dbraw/zinc/34/15/63/1271341563.db2.gz HKKIKVYWXYVKFY-VHSXEESVSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574629477 1271427960 /nfs/dbraw/zinc/42/79/60/1271427960.db2.gz SNKUNWRJNKJHPQ-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574629477 1271427964 /nfs/dbraw/zinc/42/79/64/1271427964.db2.gz SNKUNWRJNKJHPQ-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580652836 1278639027 /nfs/dbraw/zinc/63/90/27/1278639027.db2.gz NWQFOPLNQTUZII-LLVKDONJSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580652836 1278639042 /nfs/dbraw/zinc/63/90/42/1278639042.db2.gz NWQFOPLNQTUZII-LLVKDONJSA-N -1 1 369.433 0.848 20 30 FCEDMM C[C@H](CN(C)c1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574826598 1271573910 /nfs/dbraw/zinc/57/39/10/1271573910.db2.gz FLGLOEOGFBCCPA-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574826598 1271573915 /nfs/dbraw/zinc/57/39/15/1271573915.db2.gz FLGLOEOGFBCCPA-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580660365 1278657458 /nfs/dbraw/zinc/65/74/58/1278657458.db2.gz ZWOVKHCTTOFVOD-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001580660365 1278657469 /nfs/dbraw/zinc/65/74/69/1278657469.db2.gz ZWOVKHCTTOFVOD-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM C[C@H](O)CNC(=O)c1cccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001575482784 1272153295 /nfs/dbraw/zinc/15/32/95/1272153295.db2.gz UYTRMEILBSZKSB-VIFPVBQESA-N -1 1 366.341 0.431 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001580683088 1278707510 /nfs/dbraw/zinc/70/75/10/1278707510.db2.gz IBKYBHCLSBFWHR-GOONRYMUSA-N -1 1 353.390 0.351 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)n1 ZINC001580683088 1278707522 /nfs/dbraw/zinc/70/75/22/1278707522.db2.gz IBKYBHCLSBFWHR-GOONRYMUSA-N -1 1 353.390 0.351 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057375 1272792574 /nfs/dbraw/zinc/79/25/74/1272792574.db2.gz JFSWUXZXPGXPND-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576057375 1272792582 /nfs/dbraw/zinc/79/25/82/1272792582.db2.gz JFSWUXZXPGXPND-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576297602 1273110217 /nfs/dbraw/zinc/11/02/17/1273110217.db2.gz PDBKTJFANDANDT-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576297602 1273110223 /nfs/dbraw/zinc/11/02/23/1273110223.db2.gz PDBKTJFANDANDT-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576311161 1273126148 /nfs/dbraw/zinc/12/61/48/1273126148.db2.gz CLIOULWRFSHINP-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576311161 1273126150 /nfs/dbraw/zinc/12/61/50/1273126150.db2.gz CLIOULWRFSHINP-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580707135 1278765105 /nfs/dbraw/zinc/76/51/05/1278765105.db2.gz ARXVOICKVHWQDH-OIKLOGQESA-N -1 1 355.406 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580707135 1278765119 /nfs/dbraw/zinc/76/51/19/1278765119.db2.gz ARXVOICKVHWQDH-OIKLOGQESA-N -1 1 355.406 0.964 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576860970 1273822793 /nfs/dbraw/zinc/82/27/93/1273822793.db2.gz ASIHMXKLPYLSHP-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576860970 1273822801 /nfs/dbraw/zinc/82/28/01/1273822801.db2.gz ASIHMXKLPYLSHP-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nccnc1-c1nnn[n-]1 ZINC001577642373 1274634827 /nfs/dbraw/zinc/63/48/27/1274634827.db2.gz ITGFWMLDIUEXRV-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nccnc1-c1nn[n-]n1 ZINC001577642373 1274634841 /nfs/dbraw/zinc/63/48/41/1274634841.db2.gz ITGFWMLDIUEXRV-UHFFFAOYSA-N -1 1 366.389 0.503 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1nccnc1-c1nnn[n-]1 ZINC001577906237 1275114570 /nfs/dbraw/zinc/11/45/70/1275114570.db2.gz RKVFRIXCQBSZSP-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1nccnc1-c1nn[n-]n1 ZINC001577906237 1275114577 /nfs/dbraw/zinc/11/45/77/1275114577.db2.gz RKVFRIXCQBSZSP-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001578067332 1275366827 /nfs/dbraw/zinc/36/68/27/1275366827.db2.gz WTQUORRQKOJPNY-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001578125304 1275426445 /nfs/dbraw/zinc/42/64/45/1275426445.db2.gz GVUPCWURKPPEAA-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001578125304 1275426451 /nfs/dbraw/zinc/42/64/51/1275426451.db2.gz GVUPCWURKPPEAA-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001578152557 1275452943 /nfs/dbraw/zinc/45/29/43/1275452943.db2.gz YHWCQLVXSOACKR-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001578152557 1275452946 /nfs/dbraw/zinc/45/29/46/1275452946.db2.gz YHWCQLVXSOACKR-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCOC(=O)C1([C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCOCC1 ZINC001578242652 1275544255 /nfs/dbraw/zinc/54/42/55/1275544255.db2.gz MECWCOUSFKLDJI-JTQLQIEISA-N -1 1 372.389 0.689 20 30 FCEDMM CCOC(=O)[C@]1(C(C)C)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001578243080 1275545037 /nfs/dbraw/zinc/54/50/37/1275545037.db2.gz TXPRZBDNIJIWEN-MRXNPFEDSA-N -1 1 356.390 0.944 20 30 FCEDMM CCO[C@H]1C[C@H](O)C12CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001578335504 1275684611 /nfs/dbraw/zinc/68/46/11/1275684611.db2.gz RNPSEJQQDWXUPJ-RYUDHWBXSA-N -1 1 356.390 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001578580449 1276012882 /nfs/dbraw/zinc/01/28/82/1276012882.db2.gz GOMXECGESJQZDD-GHMZBOCLSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001578580449 1276012884 /nfs/dbraw/zinc/01/28/84/1276012884.db2.gz GOMXECGESJQZDD-GHMZBOCLSA-N -1 1 355.406 0.321 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)[C@H](C)C#N)C2)n1 ZINC001578582660 1276014813 /nfs/dbraw/zinc/01/48/13/1276014813.db2.gz BAEIDIRDTLZZSG-NEPJUHHUSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)[C@H](C)C#N)C2)n1 ZINC001578582660 1276014820 /nfs/dbraw/zinc/01/48/20/1276014820.db2.gz BAEIDIRDTLZZSG-NEPJUHHUSA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)n1 ZINC001578594344 1276028578 /nfs/dbraw/zinc/02/85/78/1276028578.db2.gz HTOROJJKXFLSKI-MXWKQRLJSA-N -1 1 355.406 0.462 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2C)n1 ZINC001578594344 1276028581 /nfs/dbraw/zinc/02/85/81/1276028581.db2.gz HTOROJJKXFLSKI-MXWKQRLJSA-N -1 1 355.406 0.462 20 30 FCEDMM CCc1nc(N[C@@H](CC)CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001578628646 1276073581 /nfs/dbraw/zinc/07/35/81/1276073581.db2.gz PLSYNUJDEMIBHT-LBPRGKRZSA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(N[C@@H](CC)CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001578628646 1276073592 /nfs/dbraw/zinc/07/35/92/1276073592.db2.gz PLSYNUJDEMIBHT-LBPRGKRZSA-N -1 1 354.418 0.939 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)cc(-c2nnn[n-]2)n1 ZINC001578631387 1276079002 /nfs/dbraw/zinc/07/90/02/1276079002.db2.gz WULZUJKIJYKMFV-SKDRFNHKSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C2CC2)cc(-c2nn[n-]n2)n1 ZINC001578631387 1276079007 /nfs/dbraw/zinc/07/90/07/1276079007.db2.gz WULZUJKIJYKMFV-SKDRFNHKSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578655052 1276105085 /nfs/dbraw/zinc/10/50/85/1276105085.db2.gz FYHVSTXRPOQTLJ-GHMZBOCLSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578655052 1276105087 /nfs/dbraw/zinc/10/50/87/1276105087.db2.gz FYHVSTXRPOQTLJ-GHMZBOCLSA-N -1 1 355.406 0.639 20 30 FCEDMM CCc1nc(NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578664596 1276116613 /nfs/dbraw/zinc/11/66/13/1276116613.db2.gz GVNKCVMGQBMYMT-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578664596 1276116616 /nfs/dbraw/zinc/11/66/16/1276116616.db2.gz GVNKCVMGQBMYMT-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001578921417 1276462774 /nfs/dbraw/zinc/46/27/74/1276462774.db2.gz QETLOSNEVWTWHF-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001578921417 1276462780 /nfs/dbraw/zinc/46/27/80/1276462780.db2.gz QETLOSNEVWTWHF-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(CCCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116809 1276787630 /nfs/dbraw/zinc/78/76/30/1276787630.db2.gz HUQLPYPYTBXUGR-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001579123043 1276797656 /nfs/dbraw/zinc/79/76/56/1276797656.db2.gz XBLGODBOFBOXKP-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579123043 1276797664 /nfs/dbraw/zinc/79/76/64/1276797664.db2.gz XBLGODBOFBOXKP-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001579122419 1276797875 /nfs/dbraw/zinc/79/78/75/1276797875.db2.gz FYCBXNPYJTUJMS-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579122419 1276797884 /nfs/dbraw/zinc/79/78/84/1276797884.db2.gz FYCBXNPYJTUJMS-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCNC(=O)CC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001579174138 1276931807 /nfs/dbraw/zinc/93/18/07/1276931807.db2.gz LSVICXBPDAJBAL-UHFFFAOYSA-N -1 1 362.397 0.651 20 30 FCEDMM CN(CCNC(=O)CC#Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001579174138 1276931812 /nfs/dbraw/zinc/93/18/12/1276931812.db2.gz LSVICXBPDAJBAL-UHFFFAOYSA-N -1 1 362.397 0.651 20 30 FCEDMM CNC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579386789 1277268351 /nfs/dbraw/zinc/26/83/51/1277268351.db2.gz OWIHSDAPTPBIIP-ZDUSSCGKSA-N -1 1 361.369 0.206 20 30 FCEDMM CNC(=O)[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579386789 1277268361 /nfs/dbraw/zinc/26/83/61/1277268361.db2.gz OWIHSDAPTPBIIP-ZDUSSCGKSA-N -1 1 361.369 0.206 20 30 FCEDMM COC(=O)[C@@H](C[C@@H]1CCCOC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433674 1277301305 /nfs/dbraw/zinc/30/13/05/1277301305.db2.gz MIOCCDRZTRQDAO-VHSXEESVSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433792 1277304176 /nfs/dbraw/zinc/30/41/76/1277304176.db2.gz PFVKNELBRKGKHF-NXEZZACHSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@]1(C(F)(F)F)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001579438739 1277315517 /nfs/dbraw/zinc/31/55/17/1277315517.db2.gz OZZMRIPYTCSNGZ-LBPRGKRZSA-N -1 1 368.279 0.460 20 30 FCEDMM COC(=O)[C@]1(C(F)(F)F)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001579438739 1277315521 /nfs/dbraw/zinc/31/55/21/1277315521.db2.gz OZZMRIPYTCSNGZ-LBPRGKRZSA-N -1 1 368.279 0.460 20 30 FCEDMM COC(=O)[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001579446610 1277335017 /nfs/dbraw/zinc/33/50/17/1277335017.db2.gz MXUULSVQXSQGKD-LBPRGKRZSA-N -1 1 362.353 0.805 20 30 FCEDMM COC(=O)c1nc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)ccc1Cl ZINC001579491364 1277403849 /nfs/dbraw/zinc/40/38/49/1277403849.db2.gz ILTHNTYQSPKFRB-UHFFFAOYSA-N -1 1 371.748 0.975 20 30 FCEDMM COC(=O)c1nc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)ccc1Cl ZINC001579491364 1277403859 /nfs/dbraw/zinc/40/38/59/1277403859.db2.gz ILTHNTYQSPKFRB-UHFFFAOYSA-N -1 1 371.748 0.975 20 30 FCEDMM CC(C)(C)OC(=O)[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C1CC1 ZINC001603083288 1287306094 /nfs/dbraw/zinc/30/60/94/1287306094.db2.gz WLOZYSWTPZBEPT-SECBINFHSA-N -1 1 358.362 0.768 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC001603087088 1287307364 /nfs/dbraw/zinc/30/73/64/1287307364.db2.gz HSENLKPDKYYQCO-UHFFFAOYSA-N -1 1 373.377 0.657 20 30 FCEDMM COCCN(Cc1c(C)nn(C)c1C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579810002 1277921024 /nfs/dbraw/zinc/92/10/24/1277921024.db2.gz LQEXOPTZZCPTOL-UHFFFAOYSA-N -1 1 368.405 0.532 20 30 FCEDMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001579867832 1277945092 /nfs/dbraw/zinc/94/50/92/1277945092.db2.gz MGIVLUFMHSLTNO-FXBDTBDDSA-N -1 1 362.419 0.111 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001603188694 1287325109 /nfs/dbraw/zinc/32/51/09/1287325109.db2.gz CBOMNNFHFLQYLB-QWHCGFSZSA-N -1 1 352.402 0.353 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001603188694 1287325114 /nfs/dbraw/zinc/32/51/14/1287325114.db2.gz CBOMNNFHFLQYLB-QWHCGFSZSA-N -1 1 352.402 0.353 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001603189624 1287326447 /nfs/dbraw/zinc/32/64/47/1287326447.db2.gz QOIBGKJISTWFDY-UONOGXRCSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001603189624 1287326451 /nfs/dbraw/zinc/32/64/51/1287326451.db2.gz QOIBGKJISTWFDY-UONOGXRCSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001603190013 1287326542 /nfs/dbraw/zinc/32/65/42/1287326542.db2.gz UATZSNNQPJSFOY-BETUJISGSA-N -1 1 352.402 0.496 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001603190013 1287326548 /nfs/dbraw/zinc/32/65/48/1287326548.db2.gz UATZSNNQPJSFOY-BETUJISGSA-N -1 1 352.402 0.496 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189711 1287326589 /nfs/dbraw/zinc/32/65/89/1287326589.db2.gz QTKDTHAZDJZNIA-QGZVFWFLSA-N -1 1 354.418 0.389 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001603189854 1287326892 /nfs/dbraw/zinc/32/68/92/1287326892.db2.gz RSLDMVFZTUHRMB-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001603189854 1287326896 /nfs/dbraw/zinc/32/68/96/1287326896.db2.gz RSLDMVFZTUHRMB-UHFFFAOYSA-N -1 1 368.445 0.991 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603189991 1287326970 /nfs/dbraw/zinc/32/69/70/1287326970.db2.gz SXONYDJEBGWSNA-UONOGXRCSA-N -1 1 368.445 0.777 20 30 FCEDMM Cc1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)nc(N2CCCC2)n1 ZINC001580928475 1279143783 /nfs/dbraw/zinc/14/37/83/1279143783.db2.gz KVVMREVJHXPYLT-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM Cc1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)nc(N2CCCC2)n1 ZINC001580928475 1279143789 /nfs/dbraw/zinc/14/37/89/1279143789.db2.gz KVVMREVJHXPYLT-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001603505604 1287394108 /nfs/dbraw/zinc/39/41/08/1287394108.db2.gz PSHDFJILPUCISA-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001603505604 1287394111 /nfs/dbraw/zinc/39/41/11/1287394111.db2.gz PSHDFJILPUCISA-VIFPVBQESA-N -1 1 352.362 0.429 20 30 FCEDMM Cc1nsc(NC(=O)N2CCN(C(=O)CC#N)CC2)c1-c1nn[n-]n1 ZINC001581686105 1280391937 /nfs/dbraw/zinc/39/19/37/1280391937.db2.gz ZOLNMUXAWFTFEO-UHFFFAOYSA-N -1 1 361.391 0.221 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001581837907 1280591838 /nfs/dbraw/zinc/59/18/38/1280591838.db2.gz DXYODIGKSFYYIM-SKDRFNHKSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1nccc1[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001581837907 1280591842 /nfs/dbraw/zinc/59/18/42/1280591842.db2.gz DXYODIGKSFYYIM-SKDRFNHKSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CCOc1ccc(Cl)cc1Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O ZINC001581858499 1280610374 /nfs/dbraw/zinc/61/03/74/1280610374.db2.gz IWWOKGRYTBYXHW-UHFFFAOYSA-N -1 1 359.733 0.733 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)nc1-c1nn[nH]n1 ZINC001581859959 1280610453 /nfs/dbraw/zinc/61/04/53/1280610453.db2.gz DZLSXARHUJZVRH-SSDOTTSWSA-N -1 1 367.304 0.665 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCN(CC(F)F)C2)nc1-c1nn[nH]n1 ZINC001581860239 1280612255 /nfs/dbraw/zinc/61/22/55/1280612255.db2.gz QPORCGCXPQUPED-SSDOTTSWSA-N -1 1 351.321 0.377 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H](O)c2ccc(Cl)cc2F)nc1-c1nn[nH]n1 ZINC001581860182 1280612724 /nfs/dbraw/zinc/61/27/24/1280612724.db2.gz OGDKYXZDBNBJBQ-JTQLQIEISA-N -1 1 362.712 0.926 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc(C(F)(F)F)ncn2)nc1-c1nn[nH]n1 ZINC001581860687 1280614278 /nfs/dbraw/zinc/61/42/78/1280614278.db2.gz NSRGGRJYSZSVAM-UHFFFAOYSA-N -1 1 350.224 0.523 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)nc1-c1nn[nH]n1 ZINC001581860690 1280614391 /nfs/dbraw/zinc/61/43/91/1280614391.db2.gz OIRCQKARBBNMMV-UHFFFAOYSA-N -1 1 365.235 0.833 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001581863548 1280616312 /nfs/dbraw/zinc/61/63/12/1280616312.db2.gz ULZMTRJNUIJLPR-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001581863548 1280616319 /nfs/dbraw/zinc/61/63/19/1280616319.db2.gz ULZMTRJNUIJLPR-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001581864129 1280616342 /nfs/dbraw/zinc/61/63/42/1280616342.db2.gz HOIVEIKAAZXPQP-LBPRGKRZSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001581864129 1280616352 /nfs/dbraw/zinc/61/63/52/1280616352.db2.gz HOIVEIKAAZXPQP-LBPRGKRZSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001581864066 1280616478 /nfs/dbraw/zinc/61/64/78/1280616478.db2.gz DWUHTUCTNMIXOZ-LBPRGKRZSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001581864066 1280616487 /nfs/dbraw/zinc/61/64/87/1280616487.db2.gz DWUHTUCTNMIXOZ-LBPRGKRZSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)c[nH]1 ZINC001581865079 1280617700 /nfs/dbraw/zinc/61/77/00/1280617700.db2.gz CUYDIWBCFICROX-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)c[nH]1 ZINC001581865079 1280617704 /nfs/dbraw/zinc/61/77/04/1280617704.db2.gz CUYDIWBCFICROX-GFCCVEGCSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581865954 1280620076 /nfs/dbraw/zinc/62/00/76/1280620076.db2.gz PZLDMPQENXHXJD-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581865954 1280620085 /nfs/dbraw/zinc/62/00/85/1280620085.db2.gz PZLDMPQENXHXJD-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(F)cc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001581866709 1280621484 /nfs/dbraw/zinc/62/14/84/1280621484.db2.gz RDCWWQJEWFBEFV-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1cc(F)cc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001581866709 1280621487 /nfs/dbraw/zinc/62/14/87/1280621487.db2.gz RDCWWQJEWFBEFV-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1ccc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001581867626 1280622575 /nfs/dbraw/zinc/62/25/75/1280622575.db2.gz PCVSDCWOCCQYDN-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001581867626 1280622584 /nfs/dbraw/zinc/62/25/84/1280622584.db2.gz PCVSDCWOCCQYDN-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603600791 1287434927 /nfs/dbraw/zinc/43/49/27/1287434927.db2.gz BAHJPQSRUSSLFI-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603600791 1287434934 /nfs/dbraw/zinc/43/49/34/1287434934.db2.gz BAHJPQSRUSSLFI-JSGCOSHPSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581867400 1280622858 /nfs/dbraw/zinc/62/28/58/1280622858.db2.gz GWATYWKXVMJBSB-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581867400 1280622864 /nfs/dbraw/zinc/62/28/64/1280622864.db2.gz GWATYWKXVMJBSB-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867948 1280624361 /nfs/dbraw/zinc/62/43/61/1280624361.db2.gz CKEDESJLVJVTAX-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867948 1280624372 /nfs/dbraw/zinc/62/43/72/1280624372.db2.gz CKEDESJLVJVTAX-JTQLQIEISA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1nc(N2CCC(C(=O)N3CCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878545 1280635374 /nfs/dbraw/zinc/63/53/74/1280635374.db2.gz QGOPDZINBKGNLB-UHFFFAOYSA-N -1 1 353.390 0.367 20 30 FCEDMM N#Cc1nc(N2CCC(C(=O)N3CCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878545 1280635377 /nfs/dbraw/zinc/63/53/77/1280635377.db2.gz QGOPDZINBKGNLB-UHFFFAOYSA-N -1 1 353.390 0.367 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2C[C@H](O)c2ccco2)cnc1-c1nnn[n-]1 ZINC001581879205 1280636978 /nfs/dbraw/zinc/63/69/78/1280636978.db2.gz AUIWTQISTYMIOS-PWSUYJOCSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(N2CCOC[C@H]2C[C@H](O)c2ccco2)cnc1-c1nn[n-]n1 ZINC001581879205 1280636992 /nfs/dbraw/zinc/63/69/92/1280636992.db2.gz AUIWTQISTYMIOS-PWSUYJOCSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)CO2)cnc1-c1nnn[n-]1 ZINC001581880294 1280637783 /nfs/dbraw/zinc/63/77/83/1280637783.db2.gz FYSANKHQPHOLGA-LLVKDONJSA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)CO2)cnc1-c1nn[n-]n1 ZINC001581880294 1280637791 /nfs/dbraw/zinc/63/77/91/1280637791.db2.gz FYSANKHQPHOLGA-LLVKDONJSA-N -1 1 356.390 0.916 20 30 FCEDMM N#Cc1nc(NCCC(=O)NCc2ccccn2)cnc1-c1nnn[n-]1 ZINC001581880198 1280638315 /nfs/dbraw/zinc/63/83/15/1280638315.db2.gz COPGOPPUJLOWSW-UHFFFAOYSA-N -1 1 350.346 0.042 20 30 FCEDMM N#Cc1nc(NCCC(=O)NCc2ccccn2)cnc1-c1nn[n-]n1 ZINC001581880198 1280638326 /nfs/dbraw/zinc/63/83/26/1280638326.db2.gz COPGOPPUJLOWSW-UHFFFAOYSA-N -1 1 350.346 0.042 20 30 FCEDMM N#Cc1ncc(N2CCC(N3CCCOC3=O)CC2)nc1-c1nn[n-]n1 ZINC001581881801 1280641918 /nfs/dbraw/zinc/64/19/18/1280641918.db2.gz AKPFZRZUNJAECG-UHFFFAOYSA-N -1 1 355.362 0.339 20 30 FCEDMM N#Cc1ncc(N2CCn3c(nnc3C3CCCC3)C2)nc1-c1nn[n-]n1 ZINC001581882472 1280643110 /nfs/dbraw/zinc/64/31/10/1280643110.db2.gz ABENKRHSVWHBRV-UHFFFAOYSA-N -1 1 363.389 0.798 20 30 FCEDMM N#Cc1ncc(N2CCn3ncc(Br)c3C2)nc1-c1nn[n-]n1 ZINC001581882686 1280643907 /nfs/dbraw/zinc/64/39/07/1280643907.db2.gz FTAXNJQNNROSNN-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCN(c3ccc(F)cc3)C2=O)nc1-c1nn[n-]n1 ZINC001581882544 1280644137 /nfs/dbraw/zinc/64/41/37/1280644137.db2.gz CICRIFHUDYSHBO-LLVKDONJSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1ncc(N2CCC(CC(=O)N3CCCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882132 1280644646 /nfs/dbraw/zinc/64/46/46/1280644646.db2.gz MEXXYYZATPGBLF-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1ncc(NCc2ccc(N3CCOCC3)nc2)nc1-c1nn[n-]n1 ZINC001581883908 1280649095 /nfs/dbraw/zinc/64/90/95/1280649095.db2.gz BOJGVNRPIGNMJN-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(NC[C@@H]2CCN(CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581884420 1280651277 /nfs/dbraw/zinc/65/12/77/1280651277.db2.gz ZCYCBCDLLWNNHD-QMMMGPOBSA-N -1 1 353.312 0.824 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001581912498 1280715322 /nfs/dbraw/zinc/71/53/22/1280715322.db2.gz OISKCGCYQIFVGB-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM O=C(C#CC1CC1)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001581912498 1280715330 /nfs/dbraw/zinc/71/53/30/1280715330.db2.gz OISKCGCYQIFVGB-CYBMUJFWSA-N -1 1 352.402 0.403 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687266 1287470775 /nfs/dbraw/zinc/47/07/75/1287470775.db2.gz RPIRSVBIZGNRAN-BXUZGUMPSA-N -1 1 368.401 0.098 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001603687266 1287470777 /nfs/dbraw/zinc/47/07/77/1287470777.db2.gz RPIRSVBIZGNRAN-BXUZGUMPSA-N -1 1 368.401 0.098 20 30 FCEDMM C#C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)(C)C ZINC001588327565 1282420628 /nfs/dbraw/zinc/42/06/28/1282420628.db2.gz LTOADDRCLHDATG-NSHDSACASA-N -1 1 372.433 0.921 20 30 FCEDMM C#C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)(C)C ZINC001588327565 1282420635 /nfs/dbraw/zinc/42/06/35/1282420635.db2.gz LTOADDRCLHDATG-NSHDSACASA-N -1 1 372.433 0.921 20 30 FCEDMM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC001588330052 1282421522 /nfs/dbraw/zinc/42/15/22/1282421522.db2.gz UCLDYHQHUBCBNX-WDEREUQCSA-N -1 1 360.399 0.600 20 30 FCEDMM C#C[C@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001588328625 1282421994 /nfs/dbraw/zinc/42/19/94/1282421994.db2.gz MFUQESFRKAHYQJ-QWRGUYRKSA-N -1 1 353.429 0.528 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335967 1282429883 /nfs/dbraw/zinc/42/98/83/1282429883.db2.gz DNKFCVKDJXKCLU-STQMWFEESA-N -1 1 354.418 0.389 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588338928 1282432224 /nfs/dbraw/zinc/43/22/24/1282432224.db2.gz JIBQYPWQAVSHQH-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588338928 1282432227 /nfs/dbraw/zinc/43/22/27/1282432227.db2.gz JIBQYPWQAVSHQH-QGZVFWFLSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001588338935 1282432613 /nfs/dbraw/zinc/43/26/13/1282432613.db2.gz RDCZHJAUEJXMRX-GFCCVEGCSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338576 1282433042 /nfs/dbraw/zinc/43/30/42/1282433042.db2.gz FLNVUFGUCSKTKP-GXTWGEPZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338576 1282433049 /nfs/dbraw/zinc/43/30/49/1282433049.db2.gz FLNVUFGUCSKTKP-GXTWGEPZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588340263 1282433919 /nfs/dbraw/zinc/43/39/19/1282433919.db2.gz KMOIRDYDHGSRHY-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588340263 1282433923 /nfs/dbraw/zinc/43/39/23/1282433923.db2.gz KMOIRDYDHGSRHY-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCC(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588340238 1282433941 /nfs/dbraw/zinc/43/39/41/1282433941.db2.gz JLHZQXCPSZXPTE-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588340238 1282433944 /nfs/dbraw/zinc/43/39/44/1282433944.db2.gz JLHZQXCPSZXPTE-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588340039 1282434859 /nfs/dbraw/zinc/43/48/59/1282434859.db2.gz CQSLMTJYXAMWML-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588339878 1282434892 /nfs/dbraw/zinc/43/48/92/1282434892.db2.gz YMSZVQVQQUBWQV-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588339878 1282434896 /nfs/dbraw/zinc/43/48/96/1282434896.db2.gz YMSZVQVQQUBWQV-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588341240 1282435559 /nfs/dbraw/zinc/43/55/59/1282435559.db2.gz BYUMRTMJNQYFTC-UHFFFAOYSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCCCC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588340569 1282436856 /nfs/dbraw/zinc/43/68/56/1282436856.db2.gz VKASAZKIJLAWSX-UHFFFAOYSA-N -1 1 352.402 0.713 20 30 FCEDMM C#CCCCC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588340569 1282436860 /nfs/dbraw/zinc/43/68/60/1282436860.db2.gz VKASAZKIJLAWSX-UHFFFAOYSA-N -1 1 352.402 0.713 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588342284 1282437787 /nfs/dbraw/zinc/43/77/87/1282437787.db2.gz XBPQUNQCWZWBAO-QWHCGFSZSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588342285 1282438561 /nfs/dbraw/zinc/43/85/61/1282438561.db2.gz XBPQUNQCWZWBAO-STQMWFEESA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588344808 1282439846 /nfs/dbraw/zinc/43/98/46/1282439846.db2.gz FHVVCQNKWYDBIW-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588344808 1282439853 /nfs/dbraw/zinc/43/98/53/1282439853.db2.gz FHVVCQNKWYDBIW-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588344400 1282440094 /nfs/dbraw/zinc/44/00/94/1282440094.db2.gz OMYBFYSJUAJCPW-AWEZNQCLSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588343142 1282440510 /nfs/dbraw/zinc/44/05/10/1282440510.db2.gz ZILBCUNBUXJEHF-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588343142 1282440515 /nfs/dbraw/zinc/44/05/15/1282440515.db2.gz ZILBCUNBUXJEHF-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588345121 1282441096 /nfs/dbraw/zinc/44/10/96/1282441096.db2.gz RBSWUJLOPHNUFF-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588345121 1282441106 /nfs/dbraw/zinc/44/11/06/1282441106.db2.gz RBSWUJLOPHNUFF-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)C1CC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588347870 1282442737 /nfs/dbraw/zinc/44/27/37/1282442737.db2.gz YSBVHTFRRPALCH-UHFFFAOYSA-N -1 1 352.402 0.497 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588355299 1282452650 /nfs/dbraw/zinc/45/26/50/1282452650.db2.gz FRQIMWXQNVAPLN-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588355299 1282452656 /nfs/dbraw/zinc/45/26/56/1282452656.db2.gz FRQIMWXQNVAPLN-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588355374 1282452953 /nfs/dbraw/zinc/45/29/53/1282452953.db2.gz HHMFWPWQTDTALB-ONGXEEELSA-N -1 1 363.447 0.611 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588355562 1282455258 /nfs/dbraw/zinc/45/52/58/1282455258.db2.gz JUDYTGONCYMUEF-SFYZADRCSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588355562 1282455262 /nfs/dbraw/zinc/45/52/62/1282455262.db2.gz JUDYTGONCYMUEF-SFYZADRCSA-N -1 1 369.838 0.932 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355639 1282455374 /nfs/dbraw/zinc/45/53/74/1282455374.db2.gz KUNKAACBEACXNN-STQMWFEESA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355639 1282455375 /nfs/dbraw/zinc/45/53/75/1282455375.db2.gz KUNKAACBEACXNN-STQMWFEESA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355803 1282455971 /nfs/dbraw/zinc/45/59/71/1282455971.db2.gz MUAQCYZSSMVUEK-VXGBXAGGSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355803 1282455974 /nfs/dbraw/zinc/45/59/74/1282455974.db2.gz MUAQCYZSSMVUEK-VXGBXAGGSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588356186 1282457268 /nfs/dbraw/zinc/45/72/68/1282457268.db2.gz UNUNORRUHLYHGI-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588356186 1282457271 /nfs/dbraw/zinc/45/72/71/1282457271.db2.gz UNUNORRUHLYHGI-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588356083 1282457510 /nfs/dbraw/zinc/45/75/10/1282457510.db2.gz SHHSAMJVPSEVBF-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588356083 1282457515 /nfs/dbraw/zinc/45/75/15/1282457515.db2.gz SHHSAMJVPSEVBF-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356864 1282463042 /nfs/dbraw/zinc/46/30/42/1282463042.db2.gz GYLKKIPABVPEBM-WDEREUQCSA-N -1 1 361.431 0.683 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357433 1282464597 /nfs/dbraw/zinc/46/45/97/1282464597.db2.gz JWLZGOLRYREDLN-SMDDNHRTSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357433 1282464606 /nfs/dbraw/zinc/46/46/06/1282464606.db2.gz JWLZGOLRYREDLN-SMDDNHRTSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588357470 1282465206 /nfs/dbraw/zinc/46/52/06/1282465206.db2.gz KFRCZMKREWOZDS-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588357470 1282465210 /nfs/dbraw/zinc/46/52/10/1282465210.db2.gz KFRCZMKREWOZDS-AAEUAGOBSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358058 1282468176 /nfs/dbraw/zinc/46/81/76/1282468176.db2.gz OTQBKJVTBHVBMV-YVEFUNNKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358058 1282468184 /nfs/dbraw/zinc/46/81/84/1282468184.db2.gz OTQBKJVTBHVBMV-YVEFUNNKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358725 1282470940 /nfs/dbraw/zinc/47/09/40/1282470940.db2.gz ACSXIILPTBDTOO-RYUDHWBXSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358725 1282470945 /nfs/dbraw/zinc/47/09/45/1282470945.db2.gz ACSXIILPTBDTOO-RYUDHWBXSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588359620 1282473861 /nfs/dbraw/zinc/47/38/61/1282473861.db2.gz UIBJYPQZJKJOIW-ZDUSSCGKSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588359620 1282473867 /nfs/dbraw/zinc/47/38/67/1282473867.db2.gz UIBJYPQZJKJOIW-ZDUSSCGKSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588359964 1282476841 /nfs/dbraw/zinc/47/68/41/1282476841.db2.gz DEDGZFYYAMZMPJ-AVGNSLFASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588359964 1282476846 /nfs/dbraw/zinc/47/68/46/1282476846.db2.gz DEDGZFYYAMZMPJ-AVGNSLFASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1CC ZINC001588359745 1282477258 /nfs/dbraw/zinc/47/72/58/1282477258.db2.gz BDPQFLBPWSGHNF-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1CC ZINC001588359745 1282477264 /nfs/dbraw/zinc/47/72/64/1282477264.db2.gz BDPQFLBPWSGHNF-MBNYWOFBSA-N -1 1 370.417 0.169 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588361692 1282484314 /nfs/dbraw/zinc/48/43/14/1282484314.db2.gz RBTHPQSIYXNPFP-LLVKDONJSA-N -1 1 363.447 0.978 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362013 1282486911 /nfs/dbraw/zinc/48/69/11/1282486911.db2.gz VTIULCKPQAFHQN-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362013 1282486918 /nfs/dbraw/zinc/48/69/18/1282486918.db2.gz VTIULCKPQAFHQN-QWHCGFSZSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588362937 1282489872 /nfs/dbraw/zinc/48/98/72/1282489872.db2.gz ZSPXKWZOBJZGDK-UHFFFAOYSA-N -1 1 366.359 0.045 20 30 FCEDMM C#CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588362937 1282489876 /nfs/dbraw/zinc/48/98/76/1282489876.db2.gz ZSPXKWZOBJZGDK-UHFFFAOYSA-N -1 1 366.359 0.045 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364488 1282492335 /nfs/dbraw/zinc/49/23/35/1282492335.db2.gz HERPAVOSNWMOIK-NEPJUHHUSA-N -1 1 362.397 0.679 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588368705 1282493302 /nfs/dbraw/zinc/49/33/02/1282493302.db2.gz XFBGLCUTKCDOJS-GFCCVEGCSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(CC)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588379859 1282495213 /nfs/dbraw/zinc/49/52/13/1282495213.db2.gz PKRAZSJFVWJMHC-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(CC)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588379859 1282495220 /nfs/dbraw/zinc/49/52/20/1282495220.db2.gz PKRAZSJFVWJMHC-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588404218 1282499421 /nfs/dbraw/zinc/49/94/21/1282499421.db2.gz FOYGKXKYTLHQIL-GXFFZTMASA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588404218 1282499428 /nfs/dbraw/zinc/49/94/28/1282499428.db2.gz FOYGKXKYTLHQIL-GXFFZTMASA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588410815 1282501803 /nfs/dbraw/zinc/50/18/03/1282501803.db2.gz WIYQRZATNRUPAI-LBPRGKRZSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588410815 1282501813 /nfs/dbraw/zinc/50/18/13/1282501813.db2.gz WIYQRZATNRUPAI-LBPRGKRZSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(=O)OCC ZINC001588409028 1282501990 /nfs/dbraw/zinc/50/19/90/1282501990.db2.gz ABVGWMLOTUULKZ-JTQLQIEISA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC ZINC001588410822 1282503291 /nfs/dbraw/zinc/50/32/91/1282503291.db2.gz WWMWFKMNWPMPRV-MRVPVSSYSA-N -1 1 357.417 0.714 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC ZINC001588410822 1282503300 /nfs/dbraw/zinc/50/33/00/1282503300.db2.gz WWMWFKMNWPMPRV-MRVPVSSYSA-N -1 1 357.417 0.714 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588415055 1282504850 /nfs/dbraw/zinc/50/48/50/1282504850.db2.gz BEAVRCPYKMHKNR-VXGBXAGGSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588418307 1282504870 /nfs/dbraw/zinc/50/48/70/1282504870.db2.gz ZGJGCNCGPSTSGP-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C(C)CCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588418307 1282504878 /nfs/dbraw/zinc/50/48/78/1282504878.db2.gz ZGJGCNCGPSTSGP-QGZVFWFLSA-N -1 1 372.433 0.725 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588447811 1282507950 /nfs/dbraw/zinc/50/79/50/1282507950.db2.gz LCDWYGMIGLEQMX-GFCCVEGCSA-N -1 1 372.433 0.553 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588447811 1282507961 /nfs/dbraw/zinc/50/79/61/1282507961.db2.gz LCDWYGMIGLEQMX-GFCCVEGCSA-N -1 1 372.433 0.553 20 30 FCEDMM C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001588462177 1282511108 /nfs/dbraw/zinc/51/11/08/1282511108.db2.gz GYWIRCJJQIJONX-JOCQHMNTSA-N -1 1 354.418 0.884 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468910 1282513462 /nfs/dbraw/zinc/51/34/62/1282513462.db2.gz RDXIKTCNJLNDNP-GFCCVEGCSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588469255 1282514045 /nfs/dbraw/zinc/51/40/45/1282514045.db2.gz ZOQFQTASZKRJLH-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588469255 1282514053 /nfs/dbraw/zinc/51/40/53/1282514053.db2.gz ZOQFQTASZKRJLH-UHFFFAOYSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588468523 1282514257 /nfs/dbraw/zinc/51/42/57/1282514257.db2.gz LUSOTROOKXYBHG-NEPJUHHUSA-N -1 1 356.434 0.940 20 30 FCEDMM C=C[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001588468820 1282514789 /nfs/dbraw/zinc/51/47/89/1282514789.db2.gz XROQGWSQNZGLNV-GFCCVEGCSA-N -1 1 367.369 0.215 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475532 1282516868 /nfs/dbraw/zinc/51/68/68/1282516868.db2.gz MMWOGHMONDSVKU-WCQYABFASA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475532 1282516877 /nfs/dbraw/zinc/51/68/77/1282516877.db2.gz MMWOGHMONDSVKU-WCQYABFASA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001588476555 1282517790 /nfs/dbraw/zinc/51/77/90/1282517790.db2.gz WSGDIRCYGAYXQI-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001588476555 1282517798 /nfs/dbraw/zinc/51/77/98/1282517798.db2.gz WSGDIRCYGAYXQI-GFCCVEGCSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588490892 1282520735 /nfs/dbraw/zinc/52/07/35/1282520735.db2.gz AUTNSOMTNHCJDR-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588490892 1282520746 /nfs/dbraw/zinc/52/07/46/1282520746.db2.gz AUTNSOMTNHCJDR-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588496282 1282525229 /nfs/dbraw/zinc/52/52/29/1282525229.db2.gz ORBIXGRQGPXSAG-SJKOYZFVSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588496282 1282525243 /nfs/dbraw/zinc/52/52/43/1282525243.db2.gz ORBIXGRQGPXSAG-SJKOYZFVSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588495989 1282525358 /nfs/dbraw/zinc/52/53/58/1282525358.db2.gz LKOGWRALEVHYCC-MRXNPFEDSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588495989 1282525367 /nfs/dbraw/zinc/52/53/67/1282525367.db2.gz LKOGWRALEVHYCC-MRXNPFEDSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588496068 1282525889 /nfs/dbraw/zinc/52/58/89/1282525889.db2.gz MAAVQBRHOAGGOP-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588496068 1282525893 /nfs/dbraw/zinc/52/58/93/1282525893.db2.gz MAAVQBRHOAGGOP-YVEFUNNKSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588495488 1282526576 /nfs/dbraw/zinc/52/65/76/1282526576.db2.gz GCBXRGLDBDVPGP-IGCXYCKISA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588495488 1282526585 /nfs/dbraw/zinc/52/65/85/1282526585.db2.gz GCBXRGLDBDVPGP-IGCXYCKISA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588497244 1282526733 /nfs/dbraw/zinc/52/67/33/1282526733.db2.gz YJXUUIIBNUIMER-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588497244 1282526745 /nfs/dbraw/zinc/52/67/45/1282526745.db2.gz YJXUUIIBNUIMER-PXAZEXFGSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588496580 1282526942 /nfs/dbraw/zinc/52/69/42/1282526942.db2.gz SQMYIFAWYRJPOS-PXAZEXFGSA-N -1 1 374.449 0.826 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588498560 1282528872 /nfs/dbraw/zinc/52/88/72/1282528872.db2.gz BJZPNNCFAJBFHB-INIZCTEOSA-N -1 1 362.459 0.898 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588498901 1282528944 /nfs/dbraw/zinc/52/89/44/1282528944.db2.gz DYJLKSFVTBEWCA-QGZVFWFLSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588498901 1282528952 /nfs/dbraw/zinc/52/89/52/1282528952.db2.gz DYJLKSFVTBEWCA-QGZVFWFLSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588500214 1282532902 /nfs/dbraw/zinc/53/29/02/1282532902.db2.gz SSSBYVSQIODREV-DYVFJYSZSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588500214 1282532909 /nfs/dbraw/zinc/53/29/09/1282532909.db2.gz SSSBYVSQIODREV-DYVFJYSZSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588501114 1282535958 /nfs/dbraw/zinc/53/59/58/1282535958.db2.gz JQWBEUSFOMKUPC-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588501114 1282535972 /nfs/dbraw/zinc/53/59/72/1282535972.db2.gz JQWBEUSFOMKUPC-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588501929 1282538028 /nfs/dbraw/zinc/53/80/28/1282538028.db2.gz PMZADIMTGJIROG-PXAZEXFGSA-N -1 1 372.433 0.199 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588501880 1282538561 /nfs/dbraw/zinc/53/85/61/1282538561.db2.gz PBDBCTXOOXAOGF-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588501880 1282538571 /nfs/dbraw/zinc/53/85/71/1282538571.db2.gz PBDBCTXOOXAOGF-PXAZEXFGSA-N -1 1 372.433 0.777 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588503572 1282539363 /nfs/dbraw/zinc/53/93/63/1282539363.db2.gz AICHUBICMUSUGA-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588503572 1282539369 /nfs/dbraw/zinc/53/93/69/1282539369.db2.gz AICHUBICMUSUGA-PXAZEXFGSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588503354 1282540593 /nfs/dbraw/zinc/54/05/93/1282540593.db2.gz XVBKDOZUMYECLU-APPDUMDISA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588503354 1282540603 /nfs/dbraw/zinc/54/06/03/1282540603.db2.gz XVBKDOZUMYECLU-APPDUMDISA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588503815 1282542874 /nfs/dbraw/zinc/54/28/74/1282542874.db2.gz GAUMMVMSQITCAR-SJCJKPOMSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588503815 1282542880 /nfs/dbraw/zinc/54/28/80/1282542880.db2.gz GAUMMVMSQITCAR-SJCJKPOMSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588505291 1282545879 /nfs/dbraw/zinc/54/58/79/1282545879.db2.gz OVEVJIMPRQVACG-JKDFXYPNSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588505291 1282545888 /nfs/dbraw/zinc/54/58/88/1282545888.db2.gz OVEVJIMPRQVACG-JKDFXYPNSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001588505261 1282546387 /nfs/dbraw/zinc/54/63/87/1282546387.db2.gz OKQVDYHHBWRFIK-GUYCJALGSA-N -1 1 374.449 0.845 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001588505261 1282546397 /nfs/dbraw/zinc/54/63/97/1282546397.db2.gz OKQVDYHHBWRFIK-GUYCJALGSA-N -1 1 374.449 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1 370.417 0.170 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001588743987 1282686644 /nfs/dbraw/zinc/68/66/44/1282686644.db2.gz OXUDABLYDRVRFP-ZIAGYGMSSA-N -1 1 370.417 0.170 20 30 FCEDMM C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588935968 1282733646 /nfs/dbraw/zinc/73/36/46/1282733646.db2.gz BVGTZLJRXOUWRW-GXSJLCMTSA-N -1 1 351.330 0.367 20 30 FCEDMM C[C@H](C(=O)N(CCC#N)Cc1cccnc1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943376 1282738620 /nfs/dbraw/zinc/73/86/20/1282738620.db2.gz LQVRQAABWZTQOO-LLVKDONJSA-N -1 1 352.362 0.357 20 30 FCEDMM CC(C)(C#N)c1ccc(C(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001589035969 1282784482 /nfs/dbraw/zinc/78/44/82/1282784482.db2.gz FRPUNZFGDUOTNU-UHFFFAOYSA-N -1 1 351.374 0.689 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589380066 1282856445 /nfs/dbraw/zinc/85/64/45/1282856445.db2.gz LDNDCBTXLBAOLS-KRWDZBQOSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589380066 1282856454 /nfs/dbraw/zinc/85/64/54/1282856454.db2.gz LDNDCBTXLBAOLS-KRWDZBQOSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001589380162 1282856910 /nfs/dbraw/zinc/85/69/10/1282856910.db2.gz OCTHCZUCBXOPNG-CYBMUJFWSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001589380162 1282856920 /nfs/dbraw/zinc/85/69/20/1282856920.db2.gz OCTHCZUCBXOPNG-CYBMUJFWSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001589386910 1282864702 /nfs/dbraw/zinc/86/47/02/1282864702.db2.gz DZSLDTICEJGVRR-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001589386910 1282864713 /nfs/dbraw/zinc/86/47/13/1282864713.db2.gz DZSLDTICEJGVRR-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001589389812 1282869561 /nfs/dbraw/zinc/86/95/61/1282869561.db2.gz OAOMIVFJGYTGQG-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001589389812 1282869574 /nfs/dbraw/zinc/86/95/74/1282869574.db2.gz OAOMIVFJGYTGQG-UHFFFAOYSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1 ZINC001589390040 1282871181 /nfs/dbraw/zinc/87/11/81/1282871181.db2.gz YFVZFINSCRGHTQ-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1 ZINC001589390040 1282871185 /nfs/dbraw/zinc/87/11/85/1282871185.db2.gz YFVZFINSCRGHTQ-ZDUSSCGKSA-N -1 1 370.417 0.028 20 30 FCEDMM CCOc1ccc(C#N)cc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001609245209 1289017191 /nfs/dbraw/zinc/01/71/91/1289017191.db2.gz YSUVPEGWCIZXSA-UHFFFAOYSA-N -1 1 368.361 0.550 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589818971 1283056824 /nfs/dbraw/zinc/05/68/24/1283056824.db2.gz RKQJPZPOTQRGAV-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589818971 1283056832 /nfs/dbraw/zinc/05/68/32/1283056832.db2.gz RKQJPZPOTQRGAV-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C#CC1CC1 ZINC001590110176 1283222376 /nfs/dbraw/zinc/22/23/76/1283222376.db2.gz YTFLMQKXIUIAOL-GFCCVEGCSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C#CC1CC1 ZINC001590110176 1283222381 /nfs/dbraw/zinc/22/23/81/1283222381.db2.gz YTFLMQKXIUIAOL-GFCCVEGCSA-N -1 1 352.402 0.401 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001590143039 1283241727 /nfs/dbraw/zinc/24/17/27/1283241727.db2.gz MGOGPDHYALKIMY-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001590143039 1283241735 /nfs/dbraw/zinc/24/17/35/1283241735.db2.gz MGOGPDHYALKIMY-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM CC1(NC(=O)CSCC#N)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590143331 1283242333 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FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590266861 1283392275 /nfs/dbraw/zinc/39/22/75/1283392275.db2.gz XGLHIBINPGOGGX-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590266861 1283392283 /nfs/dbraw/zinc/39/22/83/1283392283.db2.gz XGLHIBINPGOGGX-GXTWGEPZSA-N -1 1 366.429 0.967 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)C#CC(C)C)CC2)n1 ZINC001604543368 1287652989 /nfs/dbraw/zinc/65/29/89/1287652989.db2.gz JREDGYZNOLUHJP-UHFFFAOYSA-N -1 1 354.418 0.527 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)C#CC(C)C)CC2)n1 ZINC001604543368 1287652998 /nfs/dbraw/zinc/65/29/98/1287652998.db2.gz JREDGYZNOLUHJP-UHFFFAOYSA-N -1 1 354.418 0.527 20 30 FCEDMM CCOc1ccc(N(CCC#N)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590837928 1283912928 /nfs/dbraw/zinc/91/29/28/1283912928.db2.gz ZFMTVGWLPSGVOT-UHFFFAOYSA-N -1 1 367.373 0.804 20 30 FCEDMM CCc1nc(NCCNC(=O)C2N=CC=CC2=O)cc(-c2nnn[n-]2)n1 ZINC001590922328 1283971468 /nfs/dbraw/zinc/97/14/68/1283971468.db2.gz KWINVCPRXPUNJC-FYWRMAATSA-N -1 1 355.362 0.157 20 30 FCEDMM CCc1nc(NCCNC(=O)C2N=CC=CC2=O)cc(-c2nn[n-]n2)n1 ZINC001590922328 1283971475 /nfs/dbraw/zinc/97/14/75/1283971475.db2.gz KWINVCPRXPUNJC-FYWRMAATSA-N -1 1 355.362 0.157 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(C)cc(C#N)cc2C)c1=O ZINC001590949370 1283998462 /nfs/dbraw/zinc/99/84/62/1283998462.db2.gz FOOIOJZWLUUVLU-UHFFFAOYSA-N -1 1 351.370 0.747 20 30 FCEDMM CN(CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)C(=O)C#CC1CC1 ZINC001591043609 1284102470 /nfs/dbraw/zinc/10/24/70/1284102470.db2.gz YGHGNVIODDRNDC-UHFFFAOYSA-N -1 1 354.418 0.389 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)CSCC#N)c1ccc(-c2nnn[n-]2)nn1 ZINC001591056311 1284115852 /nfs/dbraw/zinc/11/58/52/1284115852.db2.gz NSVWLBHKXWGMIA-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)CSCC#N)c1ccc(-c2nn[n-]n2)nn1 ZINC001591056311 1284115856 /nfs/dbraw/zinc/11/58/56/1284115856.db2.gz NSVWLBHKXWGMIA-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(CCC#N)S(=O)(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591062388 1284123127 /nfs/dbraw/zinc/12/31/27/1284123127.db2.gz YUSCCGSQOAWDAJ-UHFFFAOYSA-N -1 1 357.346 0.325 20 30 FCEDMM CN(CCC#N)S(=O)(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591062388 1284123131 /nfs/dbraw/zinc/12/31/31/1284123131.db2.gz YUSCCGSQOAWDAJ-UHFFFAOYSA-N -1 1 357.346 0.325 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591075445 1284141734 /nfs/dbraw/zinc/14/17/34/1284141734.db2.gz LKZFUQBVWQENMH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591075445 1284141742 /nfs/dbraw/zinc/14/17/42/1284141742.db2.gz LKZFUQBVWQENMH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCNC(=O)CSCC#N)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591097583 1284166170 /nfs/dbraw/zinc/16/61/70/1284166170.db2.gz KLWBYMDCGIVQBT-UHFFFAOYSA-N -1 1 372.867 0.786 20 30 FCEDMM CN(CCNC(=O)CSCC#N)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591097583 1284166174 /nfs/dbraw/zinc/16/61/74/1284166174.db2.gz KLWBYMDCGIVQBT-UHFFFAOYSA-N -1 1 372.867 0.786 20 30 FCEDMM CN(CCOCCNc1nccnc1-c1nnn[n-]1)C(=O)C#CC(C)(C)C ZINC001591115812 1284192022 /nfs/dbraw/zinc/19/20/22/1284192022.db2.gz XJDMBOOLRDXXSO-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM CN(CCOCCNc1nccnc1-c1nn[n-]n1)C(=O)C#CC(C)(C)C ZINC001591115812 1284192023 /nfs/dbraw/zinc/19/20/23/1284192023.db2.gz XJDMBOOLRDXXSO-UHFFFAOYSA-N -1 1 372.433 0.593 20 30 FCEDMM CN(Cc1ccc(C#N)cc1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591140156 1284210505 /nfs/dbraw/zinc/21/05/05/1284210505.db2.gz DPQHBDUCVQZALH-UHFFFAOYSA-N -1 1 352.362 0.171 20 30 FCEDMM COC(=O)C1(NC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)CCCCC1 ZINC001591244727 1284395652 /nfs/dbraw/zinc/39/56/52/1284395652.db2.gz DOCZEZJUWSPQEP-UHFFFAOYSA-N -1 1 372.389 0.235 20 30 FCEDMM COC(=O)c1ccc([N+](=O)[O-])c(Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001591299144 1284452848 /nfs/dbraw/zinc/45/28/48/1284452848.db2.gz OYJNUOZXKJYRTL-UHFFFAOYSA-N -1 1 368.313 0.986 20 30 FCEDMM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001591470468 1284642780 /nfs/dbraw/zinc/64/27/80/1284642780.db2.gz HDVBIOOPYLTOEO-CHWSQXEVSA-N -1 1 370.417 0.026 20 30 FCEDMM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001591470468 1284642790 /nfs/dbraw/zinc/64/27/90/1284642790.db2.gz HDVBIOOPYLTOEO-CHWSQXEVSA-N -1 1 370.417 0.026 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@](O)(CC#N)C1 ZINC001591795081 1284910332 /nfs/dbraw/zinc/91/03/32/1284910332.db2.gz WJJCVIFDZNMSJH-QGZVFWFLSA-N -1 1 371.401 0.394 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCN(C)C(=O)CSCC#N)n1 ZINC001591884435 1284972198 /nfs/dbraw/zinc/97/21/98/1284972198.db2.gz UOJPJXKRUUSCQL-UHFFFAOYSA-N -1 1 361.435 0.117 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCN(C)C(=O)CSCC#N)n1 ZINC001591884435 1284972202 /nfs/dbraw/zinc/97/22/02/1284972202.db2.gz UOJPJXKRUUSCQL-UHFFFAOYSA-N -1 1 361.435 0.117 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001591893772 1284982661 /nfs/dbraw/zinc/98/26/61/1284982661.db2.gz RVMSVFFZCBFOHT-RISCZKNCSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001591893772 1284982666 /nfs/dbraw/zinc/98/26/66/1284982666.db2.gz RVMSVFFZCBFOHT-RISCZKNCSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)n1 ZINC001591893773 1284984056 /nfs/dbraw/zinc/98/40/56/1284984056.db2.gz RVMSVFFZCBFOHT-SMDDNHRTSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C)n1 ZINC001591893773 1284984065 /nfs/dbraw/zinc/98/40/65/1284984065.db2.gz RVMSVFFZCBFOHT-SMDDNHRTSA-N -1 1 354.418 0.883 20 30 FCEDMM Cc1cc(C)n(N=Cc2c(O)cc(O)c(C)c2O)c(=O)c1-c1nn[n-]n1 ZINC001591955806 1285022531 /nfs/dbraw/zinc/02/25/31/1285022531.db2.gz FYLHNCKNNVBONV-UHFFFAOYSA-N -1 1 356.342 0.953 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC001592335220 1285245992 /nfs/dbraw/zinc/24/59/92/1285245992.db2.gz OTKFHNLYMSINGJ-ONGXEEELSA-N -1 1 371.405 0.648 20 30 FCEDMM Cc1nsc(N2CC[C@H](NC(=O)CSCC#N)C2)c1-c1nn[n-]n1 ZINC001592472714 1285412716 /nfs/dbraw/zinc/41/27/16/1285412716.db2.gz BWUGNUZYLJRMCG-VIFPVBQESA-N -1 1 364.460 0.583 20 30 FCEDMM Cc1nsc(N2CCN(c3nccnc3C#N)CC2)c1-c1nn[n-]n1 ZINC001592476603 1285417052 /nfs/dbraw/zinc/41/70/52/1285417052.db2.gz YGAOHHHCXUINNT-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592567637 1285481431 /nfs/dbraw/zinc/48/14/31/1285481431.db2.gz LKNWLVUBOVTKPY-WCQYABFASA-N -1 1 366.389 0.354 20 30 FCEDMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592567637 1285481433 /nfs/dbraw/zinc/48/14/33/1285481433.db2.gz LKNWLVUBOVTKPY-WCQYABFASA-N -1 1 366.389 0.354 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001604832236 1287793614 /nfs/dbraw/zinc/79/36/14/1287793614.db2.gz ZNXDFSMWYFRYMF-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM N#CCSCC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001592679088 1285573657 /nfs/dbraw/zinc/57/36/57/1285573657.db2.gz FOLYSBGDUVOABJ-UHFFFAOYSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001592679047 1285574973 /nfs/dbraw/zinc/57/49/73/1285574973.db2.gz DHNQPILWLSHHCC-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001592679047 1285574978 /nfs/dbraw/zinc/57/49/78/1285574978.db2.gz DHNQPILWLSHHCC-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)nc1-c1nn[nH]n1 ZINC001592682898 1285580364 /nfs/dbraw/zinc/58/03/64/1285580364.db2.gz HJLLCENGQVUKDH-YIZRAAEISA-N -1 1 355.362 0.095 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cccc(Cn3cncn3)c2)nc1-c1nn[nH]n1 ZINC001592682093 1285581126 /nfs/dbraw/zinc/58/11/26/1285581126.db2.gz OYZQMFFTBRNPCY-UHFFFAOYSA-N -1 1 361.329 0.354 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592686777 1285582560 /nfs/dbraw/zinc/58/25/60/1285582560.db2.gz SPCUOANEIXYEAO-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592686777 1285582563 /nfs/dbraw/zinc/58/25/63/1285582563.db2.gz SPCUOANEIXYEAO-UPHRSURJSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592686775 1285583641 /nfs/dbraw/zinc/58/36/41/1285583641.db2.gz SPCUOANEIXYEAO-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592686775 1285583643 /nfs/dbraw/zinc/58/36/43/1285583643.db2.gz SPCUOANEIXYEAO-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC001592684188 1285584503 /nfs/dbraw/zinc/58/45/03/1285584503.db2.gz RUVGJAWKKJNJGM-UHFFFAOYSA-N -1 1 374.368 0.437 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cc1 ZINC001592690591 1285584988 /nfs/dbraw/zinc/58/49/88/1285584988.db2.gz KCRPVQLDDAVDMF-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM N#Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cc1 ZINC001592690591 1285584994 /nfs/dbraw/zinc/58/49/94/1285584994.db2.gz KCRPVQLDDAVDMF-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM N#Cc1ccc(CNC(=O)COc2ccc(F)nc2-c2nn[n-]n2)cc1 ZINC001592693274 1285585518 /nfs/dbraw/zinc/58/55/18/1285585518.db2.gz QIQMNWCYPDOLCL-UHFFFAOYSA-N -1 1 353.317 0.968 20 30 FCEDMM N#Cc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592701772 1285590389 /nfs/dbraw/zinc/59/03/89/1285590389.db2.gz JLHQJMBPBARVPE-UHFFFAOYSA-N -1 1 352.310 0.805 20 30 FCEDMM NC(=O)c1ccc(N=NCc2ccc(F)c(-c3nn[n-]n3)c2Cl)nn1 ZINC001592735828 1285646100 /nfs/dbraw/zinc/64/61/00/1285646100.db2.gz JSIVMURLTIMDFF-UHFFFAOYSA-N -1 1 361.728 0.994 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592766862 1285687616 /nfs/dbraw/zinc/68/76/16/1285687616.db2.gz UNLUOKHSQUCIDP-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592766862 1285687627 /nfs/dbraw/zinc/68/76/27/1285687627.db2.gz UNLUOKHSQUCIDP-CYBMUJFWSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592766888 1285688812 /nfs/dbraw/zinc/68/88/12/1285688812.db2.gz VFVXJMIMYNPRHC-AWEZNQCLSA-N -1 1 366.429 0.675 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001592766924 1285689290 /nfs/dbraw/zinc/68/92/90/1285689290.db2.gz WDLRABOIJCSWDQ-GOSISDBHSA-N -1 1 364.413 0.499 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001592767803 1285691395 /nfs/dbraw/zinc/69/13/95/1285691395.db2.gz MADKAWGESLVCOI-DYEKYZERSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001592767803 1285691402 /nfs/dbraw/zinc/69/14/02/1285691402.db2.gz MADKAWGESLVCOI-DYEKYZERSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001592768284 1285693227 /nfs/dbraw/zinc/69/32/27/1285693227.db2.gz GSARHZKKQVLVBD-ZDUSSCGKSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001592768284 1285693234 /nfs/dbraw/zinc/69/32/34/1285693234.db2.gz GSARHZKKQVLVBD-ZDUSSCGKSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592768925 1285694059 /nfs/dbraw/zinc/69/40/59/1285694059.db2.gz REAHUMFZCTUQEQ-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592768925 1285694068 /nfs/dbraw/zinc/69/40/68/1285694068.db2.gz REAHUMFZCTUQEQ-QWHCGFSZSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C1c2ccccc2C(=O)N1CC#CCn1cccc(-c2nn[n-]n2)c1=O ZINC001593413250 1286135889 /nfs/dbraw/zinc/13/58/89/1286135889.db2.gz NJQJTHPWDMHOML-UHFFFAOYSA-N -1 1 360.333 0.328 20 30 FCEDMM N#CCc1ccccc1CC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601078683 1286629728 /nfs/dbraw/zinc/62/97/28/1286629728.db2.gz VXHIMNARXKVSIA-IBGZPJMESA-N -1 1 357.410 0.683 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001601110977 1286636710 /nfs/dbraw/zinc/63/67/10/1286636710.db2.gz QAQLPMXKJANOKV-WMLDXEAASA-N -1 1 364.423 0.755 20 30 FCEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001601124302 1286641215 /nfs/dbraw/zinc/64/12/15/1286641215.db2.gz JJTYSIZYWUVECO-QGZVFWFLSA-N -1 1 360.370 0.828 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001602702267 1287064186 /nfs/dbraw/zinc/06/41/86/1287064186.db2.gz DTIDLCFBKIMMDH-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001602702267 1287064188 /nfs/dbraw/zinc/06/41/88/1287064188.db2.gz DTIDLCFBKIMMDH-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001602703781 1287065929 /nfs/dbraw/zinc/06/59/29/1287065929.db2.gz FDGCJYIFGVFMIB-QGZVFWFLSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001602703781 1287065936 /nfs/dbraw/zinc/06/59/36/1287065936.db2.gz FDGCJYIFGVFMIB-QGZVFWFLSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001602703307 1287067008 /nfs/dbraw/zinc/06/70/08/1287067008.db2.gz NOWXHZHSBUNECA-CYBMUJFWSA-N -1 1 354.418 0.675 20 30 FCEDMM C#CCN(C(=O)CC1CC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602714360 1287071944 /nfs/dbraw/zinc/07/19/44/1287071944.db2.gz PEVUZQHIZPKFLB-UHFFFAOYSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCN(C(=O)CC1CC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602714360 1287071956 /nfs/dbraw/zinc/07/19/56/1287071956.db2.gz PEVUZQHIZPKFLB-UHFFFAOYSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602724429 1287081939 /nfs/dbraw/zinc/08/19/39/1287081939.db2.gz DWVWUDAYJGDSQO-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602724429 1287081948 /nfs/dbraw/zinc/08/19/48/1287081948.db2.gz DWVWUDAYJGDSQO-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM CS(=O)(=O)c1cccc(C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001609368005 1289124675 /nfs/dbraw/zinc/12/46/75/1289124675.db2.gz JDUVFYZYISNWKH-UHFFFAOYSA-N -1 1 357.355 0.221 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001602727174 1287092587 /nfs/dbraw/zinc/09/25/87/1287092587.db2.gz WCIUXRRLFMVBIF-SJKOYZFVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001602727174 1287092594 /nfs/dbraw/zinc/09/25/94/1287092594.db2.gz WCIUXRRLFMVBIF-SJKOYZFVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602727757 1287094658 /nfs/dbraw/zinc/09/46/58/1287094658.db2.gz RIYCVKPPWQSPPL-SDDRHHMPSA-N -1 1 356.390 0.063 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602727757 1287094667 /nfs/dbraw/zinc/09/46/67/1287094667.db2.gz RIYCVKPPWQSPPL-SDDRHHMPSA-N -1 1 356.390 0.063 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602727546 1287095074 /nfs/dbraw/zinc/09/50/74/1287095074.db2.gz ZDVRZLLOTQERTR-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602727546 1287095081 /nfs/dbraw/zinc/09/50/81/1287095081.db2.gz ZDVRZLLOTQERTR-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602727561 1287095469 /nfs/dbraw/zinc/09/54/69/1287095469.db2.gz PNBSLNWCBKINGG-RWMBFGLXSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602727561 1287095479 /nfs/dbraw/zinc/09/54/79/1287095479.db2.gz PNBSLNWCBKINGG-RWMBFGLXSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602729428 1287096123 /nfs/dbraw/zinc/09/61/23/1287096123.db2.gz RFWIFLNGBWFTKQ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602729428 1287096134 /nfs/dbraw/zinc/09/61/34/1287096134.db2.gz RFWIFLNGBWFTKQ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001602729534 1287096255 /nfs/dbraw/zinc/09/62/55/1287096255.db2.gz WCSIMOMXIUKDKA-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001602729534 1287096264 /nfs/dbraw/zinc/09/62/64/1287096264.db2.gz WCSIMOMXIUKDKA-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602729552 1287097212 /nfs/dbraw/zinc/09/72/12/1287097212.db2.gz WQCCYNTWJARJRK-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602729552 1287097221 /nfs/dbraw/zinc/09/72/21/1287097221.db2.gz WQCCYNTWJARJRK-CHWSQXEVSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001602729568 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C[C@H](C#N)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573565347 947007062 /nfs/dbraw/zinc/00/70/62/947007062.db2.gz QIIRNWFCXNGLTN-LLVKDONJSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573566286 947022442 /nfs/dbraw/zinc/02/24/42/947022442.db2.gz AQKMJRDKYNMLBT-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573566286 947022455 /nfs/dbraw/zinc/02/24/55/947022455.db2.gz AQKMJRDKYNMLBT-NEPJUHHUSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573566540 947027591 /nfs/dbraw/zinc/02/75/91/947027591.db2.gz DGYSDIZPUYICQG-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573566514 947027989 /nfs/dbraw/zinc/02/79/89/947027989.db2.gz CPHJTBKGQHQWJS-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573566514 947028001 /nfs/dbraw/zinc/02/80/01/947028001.db2.gz CPHJTBKGQHQWJS-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573567173 947038176 /nfs/dbraw/zinc/03/81/76/947038176.db2.gz JFPOJCIYAQXGFC-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573567173 947038185 /nfs/dbraw/zinc/03/81/85/947038185.db2.gz JFPOJCIYAQXGFC-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568052 947065008 /nfs/dbraw/zinc/06/50/08/947065008.db2.gz WVUSOSJEFTUXRL-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568052 947065016 /nfs/dbraw/zinc/06/50/16/947065016.db2.gz WVUSOSJEFTUXRL-NEPJUHHUSA-N -1 1 355.406 0.491 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573298185 947071986 /nfs/dbraw/zinc/07/19/86/947071986.db2.gz NKMVXCMDYVDNFW-QGZVFWFLSA-N -1 1 370.417 0.070 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573298185 947071992 /nfs/dbraw/zinc/07/19/92/947071992.db2.gz NKMVXCMDYVDNFW-QGZVFWFLSA-N -1 1 370.417 0.070 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573569566 947072619 /nfs/dbraw/zinc/07/26/19/947072619.db2.gz BKNCCBGOGGIZMN-UTUOFQBUSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573569566 947072630 /nfs/dbraw/zinc/07/26/30/947072630.db2.gz BKNCCBGOGGIZMN-UTUOFQBUSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573569561 947074115 /nfs/dbraw/zinc/07/41/15/947074115.db2.gz BJYWDLBELNZWRE-UVWXRNBGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573569561 947074130 /nfs/dbraw/zinc/07/41/30/947074130.db2.gz BJYWDLBELNZWRE-UVWXRNBGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573571919 947103795 /nfs/dbraw/zinc/10/37/95/947103795.db2.gz BLFYTQFWEKKKGW-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573571919 947103804 /nfs/dbraw/zinc/10/38/04/947103804.db2.gz BLFYTQFWEKKKGW-PWSUYJOCSA-N -1 1 355.406 0.903 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)OCC ZINC001573300489 947113978 /nfs/dbraw/zinc/11/39/78/947113978.db2.gz QQHVSUHFXLTBAY-GXTWGEPZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)OCC ZINC001573300489 947113983 /nfs/dbraw/zinc/11/39/83/947113983.db2.gz QQHVSUHFXLTBAY-GXTWGEPZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573300902 947124420 /nfs/dbraw/zinc/12/44/20/947124420.db2.gz WIOVUMCFRDUYCL-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573300902 947124429 /nfs/dbraw/zinc/12/44/29/947124429.db2.gz WIOVUMCFRDUYCL-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573576298 947151413 /nfs/dbraw/zinc/15/14/13/947151413.db2.gz GQEJPQJLPOFLRC-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573577253 947163269 /nfs/dbraw/zinc/16/32/69/947163269.db2.gz OGPKQLNEOZHYRR-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573577253 947163276 /nfs/dbraw/zinc/16/32/76/947163276.db2.gz OGPKQLNEOZHYRR-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309179 947191459 /nfs/dbraw/zinc/19/14/59/947191459.db2.gz DLWVRFKYXWGNEE-CVEARBPZSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309179 947191466 /nfs/dbraw/zinc/19/14/66/947191466.db2.gz DLWVRFKYXWGNEE-CVEARBPZSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573583440 947202395 /nfs/dbraw/zinc/20/23/95/947202395.db2.gz LUOOJRYZRSSVKR-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573309672 947204965 /nfs/dbraw/zinc/20/49/65/947204965.db2.gz MRUCCTWKNSVLPI-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573309672 947204967 /nfs/dbraw/zinc/20/49/67/947204967.db2.gz MRUCCTWKNSVLPI-BZNIZROVSA-N -1 1 358.406 0.291 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001573309697 947207332 /nfs/dbraw/zinc/20/73/32/947207332.db2.gz MZGGLLCYBMPSPG-INIZCTEOSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001573309697 947207342 /nfs/dbraw/zinc/20/73/42/947207342.db2.gz MZGGLLCYBMPSPG-INIZCTEOSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573310238 947222172 /nfs/dbraw/zinc/22/21/72/947222172.db2.gz VOFHZTQCWVGXCB-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573310238 947222182 /nfs/dbraw/zinc/22/21/82/947222182.db2.gz VOFHZTQCWVGXCB-BZNIZROVSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573584603 947226182 /nfs/dbraw/zinc/22/61/82/947226182.db2.gz YZLXLGMYLPMFFU-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573584603 947226195 /nfs/dbraw/zinc/22/61/95/947226195.db2.gz YZLXLGMYLPMFFU-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573310774 947226281 /nfs/dbraw/zinc/22/62/81/947226281.db2.gz ZPQZRYSSQUJSML-RFAUZJTJSA-N -1 1 365.463 0.900 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573310777 947227358 /nfs/dbraw/zinc/22/73/58/947227358.db2.gz ZPQZRYSSQUJSML-VFZGTOFNSA-N -1 1 365.463 0.900 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573310849 947230239 /nfs/dbraw/zinc/23/02/39/947230239.db2.gz ZYNRKDBNEXTWNV-MRXNPFEDSA-N -1 1 362.459 0.900 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573586553 947289145 /nfs/dbraw/zinc/28/91/45/947289145.db2.gz QPFRCDBIDPIRDS-MMPTUQATSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573586553 947289156 /nfs/dbraw/zinc/28/91/56/947289156.db2.gz QPFRCDBIDPIRDS-MMPTUQATSA-N -1 1 353.390 0.291 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573587209 947301713 /nfs/dbraw/zinc/30/17/13/947301713.db2.gz XZBDHBXGJVZMJF-XZMZPDFPSA-N -1 1 364.822 0.687 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573587209 947301727 /nfs/dbraw/zinc/30/17/27/947301727.db2.gz XZBDHBXGJVZMJF-XZMZPDFPSA-N -1 1 364.822 0.687 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573319192 947325720 /nfs/dbraw/zinc/32/57/20/947325720.db2.gz LJJQKRXGMABAPP-NSHDSACASA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573319192 947325733 /nfs/dbraw/zinc/32/57/33/947325733.db2.gz LJJQKRXGMABAPP-NSHDSACASA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nnn[n-]3)n2)CCC1 ZINC001573326984 947383016 /nfs/dbraw/zinc/38/30/16/947383016.db2.gz ZSHTXZLDPJBPQU-GFCCVEGCSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[n-]n3)n2)CCC1 ZINC001573326984 947383028 /nfs/dbraw/zinc/38/30/28/947383028.db2.gz ZSHTXZLDPJBPQU-GFCCVEGCSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CCCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573327607 947393986 /nfs/dbraw/zinc/39/39/86/947393986.db2.gz HRLVYOPDSNZZJW-LBPRGKRZSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573327607 947393997 /nfs/dbraw/zinc/39/39/97/947393997.db2.gz HRLVYOPDSNZZJW-LBPRGKRZSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573329042 947416236 /nfs/dbraw/zinc/41/62/36/947416236.db2.gz GSTYUDWQZWYGJO-OLZOCXBDSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573336016 947497624 /nfs/dbraw/zinc/49/76/24/947497624.db2.gz HCAKPHVHLUUQQU-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573336016 947497629 /nfs/dbraw/zinc/49/76/29/947497629.db2.gz HCAKPHVHLUUQQU-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573336582 947509106 /nfs/dbraw/zinc/50/91/06/947509106.db2.gz PJPSSVMLZGGTDJ-CHWSQXEVSA-N -1 1 372.433 0.438 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573336582 947509112 /nfs/dbraw/zinc/50/91/12/947509112.db2.gz PJPSSVMLZGGTDJ-CHWSQXEVSA-N -1 1 372.433 0.438 20 30 FCEDMM C=CCCOCC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573337317 947516587 /nfs/dbraw/zinc/51/65/87/947516587.db2.gz VOIYOLKQFFZENM-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573337317 947516596 /nfs/dbraw/zinc/51/65/96/947516596.db2.gz VOIYOLKQFFZENM-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573342727 947544036 /nfs/dbraw/zinc/54/40/36/947544036.db2.gz AZHMZZKDIPQEBY-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573342727 947544047 /nfs/dbraw/zinc/54/40/47/947544047.db2.gz AZHMZZKDIPQEBY-STQMWFEESA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573342888 947547059 /nfs/dbraw/zinc/54/70/59/947547059.db2.gz FXPXSUDPFZGCGY-ZDUSSCGKSA-N -1 1 372.433 0.595 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FCEDMM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547880545 490375199 /nfs/dbraw/zinc/37/51/99/490375199.db2.gz PIFXCIPCJCSTJL-LLVKDONJSA-N -1 1 354.775 0.909 20 30 FCEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C1(C#N)CCCC1 ZINC000501977654 490663126 /nfs/dbraw/zinc/66/31/26/490663126.db2.gz JECQOZCUFRVWEZ-UHFFFAOYSA-N -1 1 358.445 0.636 20 30 FCEDMM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000569145867 491638047 /nfs/dbraw/zinc/63/80/47/491638047.db2.gz MRNDZUIRQLUJRK-UHFFFAOYSA-N -1 1 372.406 0.916 20 30 FCEDMM COCCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000589166334 491756786 /nfs/dbraw/zinc/75/67/86/491756786.db2.gz FUIQDLTVRGFRSG-CQSZACIVSA-N -1 1 352.412 0.930 20 30 FCEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000589195815 491757492 /nfs/dbraw/zinc/75/74/92/491757492.db2.gz NHGPTKYFWVRYGX-ZDUSSCGKSA-N -1 1 366.420 0.890 20 30 FCEDMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000606116312 492116676 /nfs/dbraw/zinc/11/66/76/492116676.db2.gz BGTBRXYUVOBORW-UHFFFAOYSA-N -1 1 352.379 0.916 20 30 FCEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000619461819 492263984 /nfs/dbraw/zinc/26/39/84/492263984.db2.gz NTKVANKFXUUKOO-UHFFFAOYSA-N -1 1 372.406 0.769 20 30 FCEDMM CCN(CCC#N)S(=O)(=O)[N-][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000619710434 492276577 /nfs/dbraw/zinc/27/65/77/492276577.db2.gz KXUNJFJFXYUHFL-CYBMUJFWSA-N -1 1 365.415 0.840 20 30 FCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC)c2nn[n-]n2)c1 ZINC000267681035 527059004 /nfs/dbraw/zinc/05/90/04/527059004.db2.gz MFLOKFNKKDVGFF-ZDUSSCGKSA-N -1 1 362.415 0.382 20 30 FCEDMM CN(C)S(=O)(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(F)(F)F ZINC000586874852 546924846 /nfs/dbraw/zinc/92/48/46/546924846.db2.gz OUNMDHDWSYJBLH-NSHDSACASA-N -1 1 365.333 0.816 20 30 FCEDMM Cn1c(Sc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822605096 599057845 /nfs/dbraw/zinc/05/78/45/599057845.db2.gz YMIHDHDZRGCWDM-UHFFFAOYSA-N -1 1 359.346 0.426 20 30 FCEDMM C=CCOc1ccc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000819759084 599088809 /nfs/dbraw/zinc/08/88/09/599088809.db2.gz OGOPSUNZQOMTBW-UHFFFAOYSA-N -1 1 356.342 0.621 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1nnc(-c2cccc(F)c2)o1 ZINC000737705423 599164433 /nfs/dbraw/zinc/16/44/33/599164433.db2.gz OWHQKNHRRGOFHU-UHFFFAOYSA-N -1 1 352.293 0.754 20 30 FCEDMM Cc1nc(C#N)c(N2CCN(C(=O)CNC3(C(=O)[O-])CCCC3)CC2)o1 ZINC000740208136 597079356 /nfs/dbraw/zinc/07/93/56/597079356.db2.gz OCOFHFUTMMPXGL-UHFFFAOYSA-N -1 1 361.402 0.490 20 30 FCEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000819866445 597618471 /nfs/dbraw/zinc/61/84/71/597618471.db2.gz XBHJARQOXDVMHM-AWEZNQCLSA-N -1 1 351.340 0.556 20 30 FCEDMM Cc1nn(CCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C)c1[N+](=O)[O-] ZINC000737513168 598529133 /nfs/dbraw/zinc/52/91/33/598529133.db2.gz HYUUGAZTBJYDRP-UHFFFAOYSA-N -1 1 371.321 0.212 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C#N)C1CC1 ZINC000737488141 598536633 /nfs/dbraw/zinc/53/66/33/598536633.db2.gz PJYXKVJBHJBGBJ-AWEZNQCLSA-N -1 1 365.401 0.877 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C#N)C1CC1 ZINC000737488141 598536635 /nfs/dbraw/zinc/53/66/35/598536635.db2.gz PJYXKVJBHJBGBJ-AWEZNQCLSA-N -1 1 365.401 0.877 20 30 FCEDMM N#CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737696001 598721549 /nfs/dbraw/zinc/72/15/49/598721549.db2.gz YWCAOVLZMMSWTD-UHFFFAOYSA-N -1 1 357.761 0.865 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cn(Cc3cccs3)nn2)nc1-c1nn[nH]n1 ZINC000822815385 599314295 /nfs/dbraw/zinc/31/42/95/599314295.db2.gz QHJSSHUMSOUCEM-UHFFFAOYSA-N -1 1 367.358 0.415 20 30 FCEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)c(=O)o1 ZINC000736226999 599460174 /nfs/dbraw/zinc/46/01/74/599460174.db2.gz BAAFLSJXQQSDSP-BWPKMQGJSA-N -1 1 364.321 0.743 20 30 FCEDMM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC000828449376 601815263 /nfs/dbraw/zinc/81/52/63/601815263.db2.gz KRIYIVCYAOIBLD-SWLSCSKDSA-N -1 1 356.382 0.932 20 30 FCEDMM C#CCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823846161 607596944 /nfs/dbraw/zinc/59/69/44/607596944.db2.gz ZZCDLKDMLYJHOT-UHFFFAOYSA-N -1 1 364.406 0.335 20 30 FCEDMM C#CCCN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823846161 607596945 /nfs/dbraw/zinc/59/69/45/607596945.db2.gz ZZCDLKDMLYJHOT-UHFFFAOYSA-N -1 1 364.406 0.335 20 30 FCEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000833466918 605042258 /nfs/dbraw/zinc/04/22/58/605042258.db2.gz PBFRXEMERBIKFK-HZPDHXFCSA-N -1 1 362.474 0.865 20 30 FCEDMM C=CCNC(=O)NC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833376845 605218993 /nfs/dbraw/zinc/21/89/93/605218993.db2.gz RRRILZNONUYCQA-LJQANCHMSA-N -1 1 374.441 0.707 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000822620617 606162201 /nfs/dbraw/zinc/16/22/01/606162201.db2.gz ZDDBBRZZBPOVEZ-UHFFFAOYSA-N -1 1 353.346 0.824 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OCC#N)cc2)n1 ZINC000822620617 606162202 /nfs/dbraw/zinc/16/22/02/606162202.db2.gz ZDDBBRZZBPOVEZ-UHFFFAOYSA-N -1 1 353.346 0.824 20 30 FCEDMM C=CCNC(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1 ZINC000819750222 606440988 /nfs/dbraw/zinc/44/09/88/606440988.db2.gz AFOVFTCPYIHYSP-UHFFFAOYSA-N -1 1 368.405 0.528 20 30 FCEDMM N#Cc1cccnc1NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822842443 606701879 /nfs/dbraw/zinc/70/18/79/606701879.db2.gz ILLKTZSWJAWKJP-UHFFFAOYSA-N -1 1 352.318 0.961 20 30 FCEDMM N#Cc1cccnc1NCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822842443 606701882 /nfs/dbraw/zinc/70/18/82/606701882.db2.gz ILLKTZSWJAWKJP-UHFFFAOYSA-N -1 1 352.318 0.961 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCC#N)Cc2ccccn2)n1 ZINC000822604869 606772206 /nfs/dbraw/zinc/77/22/06/606772206.db2.gz NSTLPZVZIREKNF-UHFFFAOYSA-N -1 1 352.362 0.943 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCC#N)Cc2ccccn2)n1 ZINC000822604869 606772207 /nfs/dbraw/zinc/77/22/07/606772207.db2.gz NSTLPZVZIREKNF-UHFFFAOYSA-N -1 1 352.362 0.943 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C#Cc1ccccc1 ZINC000820778477 606829778 /nfs/dbraw/zinc/82/97/78/606829778.db2.gz XKQBJFNUAFJGBK-AWEZNQCLSA-N -1 1 374.408 0.746 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C#Cc1ccccc1 ZINC000820778477 606829780 /nfs/dbraw/zinc/82/97/80/606829780.db2.gz XKQBJFNUAFJGBK-AWEZNQCLSA-N -1 1 374.408 0.746 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000821667128 606850688 /nfs/dbraw/zinc/85/06/88/606850688.db2.gz WFNUCZRZVHCXNT-AWEZNQCLSA-N -1 1 366.337 0.420 20 30 FCEDMM COc1ccc(OCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1C ZINC000821841314 607145695 /nfs/dbraw/zinc/14/56/95/607145695.db2.gz HEHSIEMHJMSOIB-UHFFFAOYSA-N -1 1 354.330 0.796 20 30 FCEDMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1SCC#N ZINC000822449809 607212611 /nfs/dbraw/zinc/21/26/11/607212611.db2.gz PXEMTLCKPMPXMT-UHFFFAOYSA-N -1 1 362.404 0.478 20 30 FCEDMM C#CCOCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823849918 607881645 /nfs/dbraw/zinc/88/16/45/607881645.db2.gz COFICSHWGHEQDQ-UHFFFAOYSA-N -1 1 371.401 0.421 20 30 FCEDMM CC#CCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823937309 608100799 /nfs/dbraw/zinc/10/07/99/608100799.db2.gz RGJNBFZPFSXOQI-UHFFFAOYSA-N -1 1 356.390 0.587 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1sccc1C#N ZINC000825935169 608213104 /nfs/dbraw/zinc/21/31/04/608213104.db2.gz WFXHXCXYNGJDHS-UHFFFAOYSA-N -1 1 357.403 0.810 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1sccc1C#N ZINC000825935169 608213106 /nfs/dbraw/zinc/21/31/06/608213106.db2.gz WFXHXCXYNGJDHS-UHFFFAOYSA-N -1 1 357.403 0.810 20 30 FCEDMM C#CCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823838310 608313456 /nfs/dbraw/zinc/31/34/56/608313456.db2.gz NYLSHUBEFSWKCT-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823838310 608313457 /nfs/dbraw/zinc/31/34/57/608313457.db2.gz NYLSHUBEFSWKCT-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM N#Cc1ccc(C2=CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000826384617 608485501 /nfs/dbraw/zinc/48/55/01/608485501.db2.gz CLHFDPGNMLIOCM-UHFFFAOYSA-N -1 1 361.369 0.646 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)OCC ZINC000823874108 608556284 /nfs/dbraw/zinc/55/62/84/608556284.db2.gz SOHZUTXFMXAENL-LBPRGKRZSA-N -1 1 362.438 0.934 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)OCC ZINC000823874108 608556286 /nfs/dbraw/zinc/55/62/86/608556286.db2.gz SOHZUTXFMXAENL-LBPRGKRZSA-N -1 1 362.438 0.934 20 30 FCEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823962297 609277582 /nfs/dbraw/zinc/27/75/82/609277582.db2.gz IYVQJRBOGIOPCH-UHFFFAOYSA-N -1 1 354.309 0.587 20 30 FCEDMM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000026253009 664285141 /nfs/dbraw/zinc/28/51/41/664285141.db2.gz LHOFXOMFDKMCOS-UHFFFAOYSA-N -1 1 373.316 0.987 20 30 FCEDMM C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000753887110 667573818 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Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580637267 1278599835 /nfs/dbraw/zinc/59/98/35/1278599835.db2.gz ONVXTCQOQNTPNU-LLVKDONJSA-N -1 1 369.433 0.800 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)[C@H](C)C#N)CC2)n1 ZINC001580637267 1278599839 /nfs/dbraw/zinc/59/98/39/1278599839.db2.gz ONVXTCQOQNTPNU-LLVKDONJSA-N -1 1 369.433 0.800 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580637622 1278600918 /nfs/dbraw/zinc/60/09/18/1278600918.db2.gz WWVGQUSTSKDXMS-CMPLNLGQSA-N -1 1 355.406 0.410 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580637622 1278600931 /nfs/dbraw/zinc/60/09/31/1278600931.db2.gz WWVGQUSTSKDXMS-CMPLNLGQSA-N -1 1 355.406 0.410 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540236 1271317752 /nfs/dbraw/zinc/31/77/52/1271317752.db2.gz FXCGXEPRWHRDAC-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574540236 1271317759 /nfs/dbraw/zinc/31/77/59/1271317759.db2.gz FXCGXEPRWHRDAC-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574543110 1271324330 /nfs/dbraw/zinc/32/43/30/1271324330.db2.gz PKFIZIJVDIRAEJ-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574543110 1271324340 /nfs/dbraw/zinc/32/43/40/1271324340.db2.gz PKFIZIJVDIRAEJ-NXEZZACHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574546663 1271334567 /nfs/dbraw/zinc/33/45/67/1271334567.db2.gz ZIKMAQMDCFVLOO-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574546663 1271334576 /nfs/dbraw/zinc/33/45/76/1271334576.db2.gz ZIKMAQMDCFVLOO-ZJUUUORDSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580656493 1278646108 /nfs/dbraw/zinc/64/61/08/1278646108.db2.gz PUPAWIJCMMWJEM-ZWNOBZJWSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)n1 ZINC001580656493 1278646115 /nfs/dbraw/zinc/64/61/15/1278646115.db2.gz PUPAWIJCMMWJEM-ZWNOBZJWSA-N -1 1 369.433 0.846 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575319400 1271921665 /nfs/dbraw/zinc/92/16/65/1271921665.db2.gz LJHNQKDQVYQNIH-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575319400 1271921674 /nfs/dbraw/zinc/92/16/74/1271921674.db2.gz LJHNQKDQVYQNIH-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575320886 1271924986 /nfs/dbraw/zinc/92/49/86/1271924986.db2.gz XJHIUUWSORJKMB-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575320886 1271924996 /nfs/dbraw/zinc/92/49/96/1271924996.db2.gz XJHIUUWSORJKMB-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CSCC#N)C1 ZINC001575797654 1272448007 /nfs/dbraw/zinc/44/80/07/1272448007.db2.gz ULJJSNNGTUYGJC-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CSCC#N)C1 ZINC001575797654 1272448010 /nfs/dbraw/zinc/44/80/10/1272448010.db2.gz ULJJSNNGTUYGJC-OAHLLOKOSA-N -1 1 373.446 0.564 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575824923 1272485848 /nfs/dbraw/zinc/48/58/48/1272485848.db2.gz DTLKHQJZSLCVKY-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575824923 1272485855 /nfs/dbraw/zinc/48/58/55/1272485855.db2.gz DTLKHQJZSLCVKY-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575826809 1272489178 /nfs/dbraw/zinc/48/91/78/1272489178.db2.gz NDBKCORFVXFFGW-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575826809 1272489180 /nfs/dbraw/zinc/48/91/80/1272489180.db2.gz NDBKCORFVXFFGW-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580691201 1278728943 /nfs/dbraw/zinc/72/89/43/1278728943.db2.gz GMQIECNLKNHSNN-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)CN(C)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001580691201 1278728947 /nfs/dbraw/zinc/72/89/47/1278728947.db2.gz GMQIECNLKNHSNN-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069490 1272832272 /nfs/dbraw/zinc/83/22/72/1272832272.db2.gz PIGJALCDNKWCIH-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069490 1272832286 /nfs/dbraw/zinc/83/22/86/1272832286.db2.gz PIGJALCDNKWCIH-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576286479 1273100139 /nfs/dbraw/zinc/10/01/39/1273100139.db2.gz CZGDGICMIMXLFB-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576286479 1273100142 /nfs/dbraw/zinc/10/01/42/1273100142.db2.gz CZGDGICMIMXLFB-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576311115 1273125762 /nfs/dbraw/zinc/12/57/62/1273125762.db2.gz CDRBMDNRLNXBIX-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576311115 1273125766 /nfs/dbraw/zinc/12/57/66/1273125766.db2.gz CDRBMDNRLNXBIX-BXKDBHETSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C#N)c1 ZINC001576364997 1273186921 /nfs/dbraw/zinc/18/69/21/1273186921.db2.gz MXKHHVVYXYNSAA-SNVBAGLBSA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C#N)c1 ZINC001576364997 1273186928 /nfs/dbraw/zinc/18/69/28/1273186928.db2.gz MXKHHVVYXYNSAA-SNVBAGLBSA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@@H]1CN=C(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)S1 ZINC001576367342 1273190341 /nfs/dbraw/zinc/19/03/41/1273190341.db2.gz ZXAKZZGEUFZNKS-SECBINFHSA-N -1 1 356.419 0.142 20 30 FCEDMM C[C@@H]1CN=C(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)S1 ZINC001576367342 1273190350 /nfs/dbraw/zinc/19/03/50/1273190350.db2.gz ZXAKZZGEUFZNKS-SECBINFHSA-N -1 1 356.419 0.142 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580723738 1278809589 /nfs/dbraw/zinc/80/95/89/1278809589.db2.gz QPLRBUALGOALEU-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)N(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580723738 1278809603 /nfs/dbraw/zinc/80/96/03/1278809603.db2.gz QPLRBUALGOALEU-JTQLQIEISA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580724774 1278810992 /nfs/dbraw/zinc/81/09/92/1278810992.db2.gz ZYQQDOZQXSVUPO-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001580724774 1278810996 /nfs/dbraw/zinc/81/09/96/1278810996.db2.gz ZYQQDOZQXSVUPO-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576867836 1273840903 /nfs/dbraw/zinc/84/09/03/1273840903.db2.gz PHIIMJOUTYULRD-NSHDSACASA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576867836 1273840909 /nfs/dbraw/zinc/84/09/09/1273840909.db2.gz PHIIMJOUTYULRD-NSHDSACASA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576886081 1273876049 /nfs/dbraw/zinc/87/60/49/1273876049.db2.gz NQUDDQMQNSBVLE-SNVBAGLBSA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576886081 1273876055 /nfs/dbraw/zinc/87/60/55/1273876055.db2.gz NQUDDQMQNSBVLE-SNVBAGLBSA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H](CC)CN1C(C)=O ZINC001577176663 1274226069 /nfs/dbraw/zinc/22/60/69/1274226069.db2.gz GRCYVWYRYSQQCE-VXGBXAGGSA-N -1 1 355.406 0.754 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577523205 1274469523 /nfs/dbraw/zinc/46/95/23/1274469523.db2.gz OOYUZXFZHLITFN-AAEUAGOBSA-N -1 1 369.433 0.942 20 30 FCEDMM CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577523205 1274469528 /nfs/dbraw/zinc/46/95/28/1274469528.db2.gz OOYUZXFZHLITFN-AAEUAGOBSA-N -1 1 369.433 0.942 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001577523669 1274469701 /nfs/dbraw/zinc/46/97/01/1274469701.db2.gz YZSCQOLUKCLRCN-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001577523669 1274469704 /nfs/dbraw/zinc/46/97/04/1274469704.db2.gz YZSCQOLUKCLRCN-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577906366 1275114815 /nfs/dbraw/zinc/11/48/15/1275114815.db2.gz XOCSTPAPSCNKKH-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577906366 1275114818 /nfs/dbraw/zinc/11/48/18/1275114818.db2.gz XOCSTPAPSCNKKH-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCOC(=O)[C@]1(COC)CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001578243953 1275547013 /nfs/dbraw/zinc/54/70/13/1275547013.db2.gz FRBGWNRIHJCEOQ-MRXNPFEDSA-N -1 1 372.389 0.324 20 30 FCEDMM CCOC(=O)c1cnn(CC(=O)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001578254500 1275554524 /nfs/dbraw/zinc/55/45/24/1275554524.db2.gz SINMFYXHFQPYTK-UHFFFAOYSA-N -1 1 365.353 0.923 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001578380154 1275757109 /nfs/dbraw/zinc/75/71/09/1275757109.db2.gz AKLJGUUJKRQYBN-NQBHXWOUSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001578380154 1275757114 /nfs/dbraw/zinc/75/71/14/1275757114.db2.gz AKLJGUUJKRQYBN-NQBHXWOUSA-N -1 1 371.405 0.092 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578448454 1275842984 /nfs/dbraw/zinc/84/29/84/1275842984.db2.gz BRBKUAVRHDMOGI-SUZMYJTESA-N -1 1 355.406 0.598 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578448454 1275842993 /nfs/dbraw/zinc/84/29/93/1275842993.db2.gz BRBKUAVRHDMOGI-SUZMYJTESA-N -1 1 355.406 0.598 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578566519 1275997327 /nfs/dbraw/zinc/99/73/27/1275997327.db2.gz SXKRICRJGHBJME-GHMZBOCLSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578566519 1275997332 /nfs/dbraw/zinc/99/73/32/1275997332.db2.gz SXKRICRJGHBJME-GHMZBOCLSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001578579991 1276012052 /nfs/dbraw/zinc/01/20/52/1276012052.db2.gz AXESQPDHGOTXEA-NEPJUHHUSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001578579991 1276012055 /nfs/dbraw/zinc/01/20/55/1276012055.db2.gz AXESQPDHGOTXEA-NEPJUHHUSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578667983 1276119474 /nfs/dbraw/zinc/11/94/74/1276119474.db2.gz GVNKCVMGQBMYMT-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC[C@H](C)NC(=O)c2ccc(C#N)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578667983 1276119478 /nfs/dbraw/zinc/11/94/78/1276119478.db2.gz GVNKCVMGQBMYMT-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CN(C[C@@H](O)COCc1ccccc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579062284 1276671913 /nfs/dbraw/zinc/67/19/13/1276671913.db2.gz APFAYNBVVUHMBP-CYBMUJFWSA-N -1 1 366.385 0.542 20 30 FCEDMM CN(C[C@@H](O)COCc1ccccc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579062284 1276671920 /nfs/dbraw/zinc/67/19/20/1276671920.db2.gz APFAYNBVVUHMBP-CYBMUJFWSA-N -1 1 366.385 0.542 20 30 FCEDMM CN(C[C@@H](O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579064275 1276673419 /nfs/dbraw/zinc/67/34/19/1276673419.db2.gz YOHFOBDZNHXVAQ-GFCCVEGCSA-N -1 1 374.382 0.685 20 30 FCEDMM CN(CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116640 1276786184 /nfs/dbraw/zinc/78/61/84/1276786184.db2.gz MQCAXTKQZNQLFK-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116640 1276786186 /nfs/dbraw/zinc/78/61/86/1276786186.db2.gz MQCAXTKQZNQLFK-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001579129690 1276817646 /nfs/dbraw/zinc/81/76/46/1276817646.db2.gz CKJRBEXZJADEKY-UHFFFAOYSA-N -1 1 365.405 0.780 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001579129690 1276817649 /nfs/dbraw/zinc/81/76/49/1276817649.db2.gz CKJRBEXZJADEKY-UHFFFAOYSA-N -1 1 365.405 0.780 20 30 FCEDMM CN(Cc1cn(C)nc1C(F)(F)F)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579260607 1277054075 /nfs/dbraw/zinc/05/40/75/1277054075.db2.gz CDFBIRWUOQIAIO-UHFFFAOYSA-N -1 1 364.295 0.917 20 30 FCEDMM CN(Cc1cn(C)nc1C(F)(F)F)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579260607 1277054078 /nfs/dbraw/zinc/05/40/78/1277054078.db2.gz CDFBIRWUOQIAIO-UHFFFAOYSA-N -1 1 364.295 0.917 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001579293799 1277119065 /nfs/dbraw/zinc/11/90/65/1277119065.db2.gz ITRNGMYZXNNTID-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CSCC#N)C1 ZINC001579293799 1277119066 /nfs/dbraw/zinc/11/90/66/1277119066.db2.gz ITRNGMYZXNNTID-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CNC(=O)CCOc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579394309 1277277684 /nfs/dbraw/zinc/27/76/84/1277277684.db2.gz RYXLMLHUGQHLEQ-UHFFFAOYSA-N -1 1 365.357 0.787 20 30 FCEDMM COC(=O)C12CCC(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)(CC1)C2 ZINC001579439678 1277317602 /nfs/dbraw/zinc/31/76/02/1277317602.db2.gz ZCINIKUVVGXITF-UHFFFAOYSA-N -1 1 356.346 0.523 20 30 FCEDMM CC(C)(C)OC(=O)CN1CC[C@@H](n2cnc(C#N)c2-c2nn[n-]n2)C1=O ZINC001603085322 1287306443 /nfs/dbraw/zinc/30/64/43/1287306443.db2.gz QTHLDFXZERNBNL-SNVBAGLBSA-N -1 1 358.362 0.050 20 30 FCEDMM COc1cc(OC)cc([C@@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001579937315 1277970477 /nfs/dbraw/zinc/97/04/77/1277970477.db2.gz IMNKKXZVCABHDQ-ZDUSSCGKSA-N -1 1 368.357 0.691 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001580252248 1278053603 /nfs/dbraw/zinc/05/36/03/1278053603.db2.gz LRHBHTQSVHMGKN-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001580252248 1278053608 /nfs/dbraw/zinc/05/36/08/1278053608.db2.gz LRHBHTQSVHMGKN-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001580257099 1278054700 /nfs/dbraw/zinc/05/47/00/1278054700.db2.gz XOPMXISVKZRDAA-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001580257099 1278054711 /nfs/dbraw/zinc/05/47/11/1278054711.db2.gz XOPMXISVKZRDAA-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001581213204 1279510295 /nfs/dbraw/zinc/51/02/95/1279510295.db2.gz GMPHXTXYURXYKS-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM Cc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001581213204 1279510299 /nfs/dbraw/zinc/51/02/99/1279510299.db2.gz GMPHXTXYURXYKS-UHFFFAOYSA-N -1 1 355.383 0.920 20 30 FCEDMM C[C@H](C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001603459268 1287378109 /nfs/dbraw/zinc/37/81/09/1287378109.db2.gz TVOLVHCIUXHRQF-VHSXEESVSA-N -1 1 361.435 0.031 20 30 FCEDMM Cc1nc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)sc1C ZINC001581480766 1280020185 /nfs/dbraw/zinc/02/01/85/1280020185.db2.gz GKKRKTPQLNWZRJ-UHFFFAOYSA-N -1 1 368.430 0.928 20 30 FCEDMM Cn1c(C#N)ccc1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001581748503 1280451612 /nfs/dbraw/zinc/45/16/12/1280451612.db2.gz FRRZDHOINAGTQS-UHFFFAOYSA-N -1 1 350.342 0.797 20 30 FCEDMM Cn1ccnc1[C@H](O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001581798095 1280522452 /nfs/dbraw/zinc/52/24/52/1280522452.db2.gz YVDZQDSBQLMEPJ-CQSZACIVSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1ccnc1[C@H](O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001581798095 1280522460 /nfs/dbraw/zinc/52/24/60/1280522460.db2.gz YVDZQDSBQLMEPJ-CQSZACIVSA-N -1 1 366.389 0.212 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)nc1-c1nn[nH]n1 ZINC001581859960 1280610898 /nfs/dbraw/zinc/61/08/98/1280610898.db2.gz DZLSXARHUJZVRH-ZETCQYMHSA-N -1 1 367.304 0.665 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@]2([C@H]3CCCCO3)CCCO2)nc1-c1nn[nH]n1 ZINC001581860287 1280612374 /nfs/dbraw/zinc/61/23/74/1280612374.db2.gz TUWZPVNAZOBNDP-MEBBXXQBSA-N -1 1 358.362 0.518 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccccc2N2CCOCC2)nc1-c1nn[nH]n1 ZINC001581860718 1280614056 /nfs/dbraw/zinc/61/40/56/1280614056.db2.gz PQTJKJJTRBJQOI-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603600789 1287434375 /nfs/dbraw/zinc/43/43/75/1287434375.db2.gz BAHJPQSRUSSLFI-GXTWGEPZSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603600789 1287434381 /nfs/dbraw/zinc/43/43/81/1287434381.db2.gz BAHJPQSRUSSLFI-GXTWGEPZSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864727 1280619028 /nfs/dbraw/zinc/61/90/28/1280619028.db2.gz LCGFWYYEIXOLBI-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864727 1280619036 /nfs/dbraw/zinc/61/90/36/1280619036.db2.gz LCGFWYYEIXOLBI-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581864708 1280619457 /nfs/dbraw/zinc/61/94/57/1280619457.db2.gz JTUAJDLUWGRLOX-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581864708 1280619465 /nfs/dbraw/zinc/61/94/65/1280619465.db2.gz JTUAJDLUWGRLOX-AOOOYVTPSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c(F)cc1F ZINC001581866743 1280620270 /nfs/dbraw/zinc/62/02/70/1280620270.db2.gz SGTXTXXIWOKMCZ-UHFFFAOYSA-N -1 1 360.288 0.430 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)c[nH]1 ZINC001581866010 1280620901 /nfs/dbraw/zinc/62/09/01/1280620901.db2.gz RMRYSSZJNZQORW-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)c[nH]1 ZINC001581866010 1280620910 /nfs/dbraw/zinc/62/09/10/1280620910.db2.gz RMRYSSZJNZQORW-GFCCVEGCSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001581865674 1280621059 /nfs/dbraw/zinc/62/10/59/1280621059.db2.gz NICVPASHOYHVEE-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001581865674 1280621068 /nfs/dbraw/zinc/62/10/68/1280621068.db2.gz NICVPASHOYHVEE-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581866160 1280621244 /nfs/dbraw/zinc/62/12/44/1280621244.db2.gz UPYOLNNNOIUJEI-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581866160 1280621250 /nfs/dbraw/zinc/62/12/50/1280621250.db2.gz UPYOLNNNOIUJEI-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)[nH]1 ZINC001581867572 1280622120 /nfs/dbraw/zinc/62/21/20/1280622120.db2.gz NRIHXDCARQVYDA-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)[nH]1 ZINC001581867572 1280622131 /nfs/dbraw/zinc/62/21/31/1280622131.db2.gz NRIHXDCARQVYDA-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001581867855 1280622963 /nfs/dbraw/zinc/62/29/63/1280622963.db2.gz ZDXWZDCWXHPBAV-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001581867855 1280622969 /nfs/dbraw/zinc/62/29/69/1280622969.db2.gz ZDXWZDCWXHPBAV-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001581867943 1280625152 /nfs/dbraw/zinc/62/51/52/1280625152.db2.gz CIAGFPRTKFBPMN-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001581867943 1280625161 /nfs/dbraw/zinc/62/51/61/1280625161.db2.gz CIAGFPRTKFBPMN-NSHDSACASA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)[nH]1 ZINC001581868035 1280625876 /nfs/dbraw/zinc/62/58/76/1280625876.db2.gz FMCMHACITAMNAX-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)[nH]1 ZINC001581868035 1280625881 /nfs/dbraw/zinc/62/58/81/1280625881.db2.gz FMCMHACITAMNAX-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1cccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001581875796 1280629973 /nfs/dbraw/zinc/62/99/73/1280629973.db2.gz QEUTZFFVZPUOHV-UHFFFAOYSA-N -1 1 352.314 0.029 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)cnc1-c1nnn[n-]1 ZINC001581880535 1280640093 /nfs/dbraw/zinc/64/00/93/1280640093.db2.gz NJYARGAVAGEMSS-FZMZJTMJSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1nc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)cnc1-c1nn[n-]n1 ZINC001581880535 1280640105 /nfs/dbraw/zinc/64/01/05/1280640105.db2.gz NJYARGAVAGEMSS-FZMZJTMJSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1ncc(N2CCC[C@H](N3CCCC3=O)CC2)nc1-c1nn[n-]n1 ZINC001581881824 1280641157 /nfs/dbraw/zinc/64/11/57/1280641157.db2.gz BJJAZXHMTPXECD-NSHDSACASA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(NCC[C@@]2(O)C(=O)Nc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880785 1280642209 /nfs/dbraw/zinc/64/22/09/1280642209.db2.gz VOEHRXUOPJLZPM-INIZCTEOSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1nc(NCC[C@@]2(O)C(=O)Nc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880785 1280642215 /nfs/dbraw/zinc/64/22/15/1280642215.db2.gz VOEHRXUOPJLZPM-INIZCTEOSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1ncc(NCCCNC(=O)c2ccccc2F)nc1-c1nn[n-]n1 ZINC001581884237 1280650847 /nfs/dbraw/zinc/65/08/47/1280650847.db2.gz QUCXDYUYNWOZBR-UHFFFAOYSA-N -1 1 367.348 0.899 20 30 FCEDMM C[C@H](c1ccccc1)N(C)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001603734049 1287482175 /nfs/dbraw/zinc/48/21/75/1287482175.db2.gz CGJPWMAGVINJGL-SNVBAGLBSA-N -1 1 351.374 0.737 20 30 FCEDMM O=C1C=COC2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC001582755605 1281979848 /nfs/dbraw/zinc/97/98/48/1281979848.db2.gz AFGJXCVSMQCHAZ-UHFFFAOYSA-N -1 1 365.371 0.486 20 30 FCEDMM C[C@@H]1CN(c2ccnc(C#N)n2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603941957 1287541358 /nfs/dbraw/zinc/54/13/58/1287541358.db2.gz XAUIVWRAAAQZFA-LLVKDONJSA-N -1 1 363.389 0.281 20 30 FCEDMM Cc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC001586805066 1282314226 /nfs/dbraw/zinc/31/42/26/1282314226.db2.gz IWYPPBSQYXGEIN-HNNXBMFYSA-N -1 1 364.369 0.779 20 30 FCEDMM Cc1ccc2nc(CNC(=O)CCn3cc(C#N)c(=O)[n-]c3=O)[nH]c2c1 ZINC001634834379 1282357640 /nfs/dbraw/zinc/35/76/40/1282357640.db2.gz VDZQSSJUBUYXDA-UHFFFAOYSA-N -1 1 352.354 0.712 20 30 FCEDMM C#C[C@@H](C)N(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@H]1CCOC1 ZINC001588326530 1282418073 /nfs/dbraw/zinc/41/80/73/1282418073.db2.gz OKUDESHSNOQAOJ-GHMZBOCLSA-N -1 1 368.405 0.343 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001588328346 1282419491 /nfs/dbraw/zinc/41/94/91/1282419491.db2.gz FAORFYSCGMSKQF-QWRGUYRKSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328346 1282419495 /nfs/dbraw/zinc/41/94/95/1282419495.db2.gz FAORFYSCGMSKQF-QWRGUYRKSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588328344 1282420568 /nfs/dbraw/zinc/42/05/68/1282420568.db2.gz FAORFYSCGMSKQF-GHMZBOCLSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328344 1282420571 /nfs/dbraw/zinc/42/05/71/1282420571.db2.gz FAORFYSCGMSKQF-GHMZBOCLSA-N -1 1 367.818 0.979 20 30 FCEDMM C#C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328567 1282421327 /nfs/dbraw/zinc/42/13/27/1282421327.db2.gz KQUGJEIKGLVCTM-NEPJUHHUSA-N -1 1 351.363 0.465 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328493 1282421773 /nfs/dbraw/zinc/42/17/73/1282421773.db2.gz IFPQLTGUBIZAMT-STQMWFEESA-N -1 1 365.390 0.773 20 30 FCEDMM C#C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588332175 1282423027 /nfs/dbraw/zinc/42/30/27/1282423027.db2.gz HGJHURWULRDZEE-JTQLQIEISA-N -1 1 362.371 0.951 20 30 FCEDMM C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588330821 1282423077 /nfs/dbraw/zinc/42/30/77/1282423077.db2.gz FMUZALFCHQCNLE-LLVKDONJSA-N -1 1 353.379 0.713 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588335891 1282429006 /nfs/dbraw/zinc/42/90/06/1282429006.db2.gz BOSKKNRZYZMXJQ-KGLIPLIRSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338162 1282431233 /nfs/dbraw/zinc/43/12/33/1282431233.db2.gz AFYJKZFBJHZBIM-KGLIPLIRSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588340202 1282434704 /nfs/dbraw/zinc/43/47/04/1282434704.db2.gz IMRUASQSKRXXLE-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588342539 1282438766 /nfs/dbraw/zinc/43/87/66/1282438766.db2.gz BHYMXQMNQRLRIE-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCCC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588342539 1282438768 /nfs/dbraw/zinc/43/87/68/1282438768.db2.gz BHYMXQMNQRLRIE-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588345136 1282439767 /nfs/dbraw/zinc/43/97/67/1282439767.db2.gz RIGBTZJTKIOWNQ-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588345136 1282439772 /nfs/dbraw/zinc/43/97/72/1282439772.db2.gz RIGBTZJTKIOWNQ-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588345059 1282440039 /nfs/dbraw/zinc/44/00/39/1282440039.db2.gz OWUAWYYNYIRFHN-VIKVFOODSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588344990 1282440796 /nfs/dbraw/zinc/44/07/96/1282440796.db2.gz LSDMSWZWZUPTFD-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588344990 1282440806 /nfs/dbraw/zinc/44/08/06/1282440806.db2.gz LSDMSWZWZUPTFD-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)CCCF)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588348376 1282442826 /nfs/dbraw/zinc/44/28/26/1282442826.db2.gz SOQMUHRVCIAWCX-UHFFFAOYSA-N -1 1 372.408 0.837 20 30 FCEDMM C#CCN(C(=O)CCCF)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588348376 1282442832 /nfs/dbraw/zinc/44/28/32/1282442832.db2.gz SOQMUHRVCIAWCX-UHFFFAOYSA-N -1 1 372.408 0.837 20 30 FCEDMM C#CCN(CC(=O)OC(C)(C)C)Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001588350412 1282443773 /nfs/dbraw/zinc/44/37/73/1282443773.db2.gz UWEVQHASKRYQGE-UHFFFAOYSA-N -1 1 368.401 0.686 20 30 FCEDMM C#CCN(CC(=O)OC(C)(C)C)Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001588350412 1282443777 /nfs/dbraw/zinc/44/37/77/1282443777.db2.gz UWEVQHASKRYQGE-UHFFFAOYSA-N -1 1 368.401 0.686 20 30 FCEDMM C#CCN(CC#C)C(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001588349864 1282445004 /nfs/dbraw/zinc/44/50/04/1282445004.db2.gz PGBRWQHSCRPULL-UHFFFAOYSA-N -1 1 353.386 0.475 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354825 1282449122 /nfs/dbraw/zinc/44/91/22/1282449122.db2.gz AJJVJWAVTFOFOF-SJKOYZFVSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354825 1282449124 /nfs/dbraw/zinc/44/91/24/1282449124.db2.gz AJJVJWAVTFOFOF-SJKOYZFVSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCN1CCN(c2nnc(CC)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588353493 1282449483 /nfs/dbraw/zinc/44/94/83/1282449483.db2.gz VDBMJOYMEGILTM-UHFFFAOYSA-N -1 1 367.417 0.417 20 30 FCEDMM C#CCN1CCN(c2nnc(CC)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588353493 1282449489 /nfs/dbraw/zinc/44/94/89/1282449489.db2.gz VDBMJOYMEGILTM-UHFFFAOYSA-N -1 1 367.417 0.417 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588355199 1282453185 /nfs/dbraw/zinc/45/31/85/1282453185.db2.gz GARCTUJLZYJJAT-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588355199 1282453193 /nfs/dbraw/zinc/45/31/93/1282453193.db2.gz GARCTUJLZYJJAT-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588355535 1282455772 /nfs/dbraw/zinc/45/57/72/1282455772.db2.gz JIGLQTXVBKPMBD-WDEREUQCSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588355638 1282455957 /nfs/dbraw/zinc/45/59/57/1282455957.db2.gz KUNKAACBEACXNN-QWHCGFSZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588355638 1282455961 /nfs/dbraw/zinc/45/59/61/1282455961.db2.gz KUNKAACBEACXNN-QWHCGFSZSA-N -1 1 370.417 0.088 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588355933 1282456978 /nfs/dbraw/zinc/45/69/78/1282456978.db2.gz PSUXCFNFBWJMRI-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588355933 1282456980 /nfs/dbraw/zinc/45/69/80/1282456980.db2.gz PSUXCFNFBWJMRI-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001588355948 1282457176 /nfs/dbraw/zinc/45/71/76/1282457176.db2.gz QAVFDTPLRMOSCI-AAEUAGOBSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001588355948 1282457183 /nfs/dbraw/zinc/45/71/83/1282457183.db2.gz QAVFDTPLRMOSCI-AAEUAGOBSA-N -1 1 370.417 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001588356192 1282458596 /nfs/dbraw/zinc/45/85/96/1282458596.db2.gz AHXYACLRCALPLB-QMMMGPOBSA-N -1 1 369.838 0.567 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001588356192 1282458599 /nfs/dbraw/zinc/45/85/99/1282458599.db2.gz AHXYACLRCALPLB-QMMMGPOBSA-N -1 1 369.838 0.567 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357431 1282464731 /nfs/dbraw/zinc/46/47/31/1282464731.db2.gz JWLZGOLRYREDLN-FZMZJTMJSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357431 1282464740 /nfs/dbraw/zinc/46/47/40/1282464740.db2.gz JWLZGOLRYREDLN-FZMZJTMJSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358052 1282468791 /nfs/dbraw/zinc/46/87/91/1282468791.db2.gz OTQBKJVTBHVBMV-PXAZEXFGSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358052 1282468796 /nfs/dbraw/zinc/46/87/96/1282468796.db2.gz OTQBKJVTBHVBMV-PXAZEXFGSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588358190 1282469253 /nfs/dbraw/zinc/46/92/53/1282469253.db2.gz VBRZGNGMXBLULA-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588358190 1282469255 /nfs/dbraw/zinc/46/92/55/1282469255.db2.gz VBRZGNGMXBLULA-CYBMUJFWSA-N -1 1 372.433 0.416 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1cncc(-c2nnn[n-]2)n1 ZINC001588358176 1282469578 /nfs/dbraw/zinc/46/95/78/1282469578.db2.gz UOZKYLNFEKRFMN-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCN(CCC)c1cncc(-c2nn[n-]n2)n1 ZINC001588358176 1282469585 /nfs/dbraw/zinc/46/95/85/1282469585.db2.gz UOZKYLNFEKRFMN-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588359987 1282476112 /nfs/dbraw/zinc/47/61/12/1282476112.db2.gz DWKLFXRNCBYSEZ-SRVKXCTJSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588359987 1282476115 /nfs/dbraw/zinc/47/61/15/1282476115.db2.gz DWKLFXRNCBYSEZ-SRVKXCTJSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588360496 1282478140 /nfs/dbraw/zinc/47/81/40/1282478140.db2.gz RCSZGQVXKLVGOQ-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588360496 1282478145 /nfs/dbraw/zinc/47/81/45/1282478145.db2.gz RCSZGQVXKLVGOQ-CYBMUJFWSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588360593 1282478574 /nfs/dbraw/zinc/47/85/74/1282478574.db2.gz ROBPDJSQVHROGY-UHFFFAOYSA-N -1 1 369.838 0.887 20 30 FCEDMM C#CCOCCC(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588360593 1282478579 /nfs/dbraw/zinc/47/85/79/1282478579.db2.gz ROBPDJSQVHROGY-UHFFFAOYSA-N -1 1 369.838 0.887 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361451 1282481857 /nfs/dbraw/zinc/48/18/57/1282481857.db2.gz NIGSWQLZPSSYMJ-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361451 1282481863 /nfs/dbraw/zinc/48/18/63/1282481863.db2.gz NIGSWQLZPSSYMJ-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001588361584 1282484930 /nfs/dbraw/zinc/48/49/30/1282484930.db2.gz PVYHOOLHXOUMRO-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001588361584 1282484934 /nfs/dbraw/zinc/48/49/34/1282484934.db2.gz PVYHOOLHXOUMRO-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588361761 1282485498 /nfs/dbraw/zinc/48/54/98/1282485498.db2.gz SBHXMNIALWCIOS-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588361761 1282485502 /nfs/dbraw/zinc/48/55/02/1282485502.db2.gz SBHXMNIALWCIOS-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588362001 1282486542 /nfs/dbraw/zinc/48/65/42/1282486542.db2.gz VQUVEWZJYZTTOL-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588362001 1282486547 /nfs/dbraw/zinc/48/65/47/1282486547.db2.gz VQUVEWZJYZTTOL-GFCCVEGCSA-N -1 1 356.390 0.003 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001588365090 1282490988 /nfs/dbraw/zinc/49/09/88/1282490988.db2.gz RNIZNFPXCBTUHX-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001588365090 1282490993 /nfs/dbraw/zinc/49/09/93/1282490993.db2.gz RNIZNFPXCBTUHX-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001588371396 1282493777 /nfs/dbraw/zinc/49/37/77/1282493777.db2.gz GCSBMSHIOMNNKN-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001588371396 1282493780 /nfs/dbraw/zinc/49/37/80/1282493780.db2.gz GCSBMSHIOMNNKN-AWEZNQCLSA-N -1 1 374.408 0.894 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588368678 1282494176 /nfs/dbraw/zinc/49/41/76/1282494176.db2.gz WNPXZSATHQSFQM-GFCCVEGCSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](CC)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588368678 1282494183 /nfs/dbraw/zinc/49/41/83/1282494183.db2.gz WNPXZSATHQSFQM-GFCCVEGCSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)OCC ZINC001588402242 1282499637 /nfs/dbraw/zinc/49/96/37/1282499637.db2.gz DGONOZRXNXHYFX-GFCCVEGCSA-N -1 1 372.433 0.511 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)OCC ZINC001588402741 1282499713 /nfs/dbraw/zinc/49/97/13/1282499713.db2.gz LUBGPJNQNGZDPK-CQSZACIVSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)OCC ZINC001588402741 1282499719 /nfs/dbraw/zinc/49/97/19/1282499719.db2.gz LUBGPJNQNGZDPK-CQSZACIVSA-N -1 1 372.433 0.677 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)OCC ZINC001588402591 1282500079 /nfs/dbraw/zinc/50/00/79/1282500079.db2.gz IQUSCMYJYTWEOE-AWEZNQCLSA-N -1 1 374.449 0.923 20 30 FCEDMM C=C(C)[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)OCC ZINC001588402591 1282500087 /nfs/dbraw/zinc/50/00/87/1282500087.db2.gz IQUSCMYJYTWEOE-AWEZNQCLSA-N -1 1 374.449 0.923 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588448981 1282507293 /nfs/dbraw/zinc/50/72/93/1282507293.db2.gz IOXJPLZRVJROLN-LBPRGKRZSA-N -1 1 354.418 0.838 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588442644 1282508068 /nfs/dbraw/zinc/50/80/68/1282508068.db2.gz JJMFKLNKOLHRAU-SUNKGSAMSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588442644 1282508074 /nfs/dbraw/zinc/50/80/74/1282508074.db2.gz JJMFKLNKOLHRAU-SUNKGSAMSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588455986 1282510103 /nfs/dbraw/zinc/51/01/03/1282510103.db2.gz FTRKGJBSQOCBPX-ZDUSSCGKSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588455986 1282510118 /nfs/dbraw/zinc/51/01/18/1282510118.db2.gz FTRKGJBSQOCBPX-ZDUSSCGKSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001588476723 1282517267 /nfs/dbraw/zinc/51/72/67/1282517267.db2.gz YILSIWFZSKIVMF-TXEJJXNPSA-N -1 1 354.418 0.764 20 30 FCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001588476723 1282517276 /nfs/dbraw/zinc/51/72/76/1282517276.db2.gz YILSIWFZSKIVMF-TXEJJXNPSA-N -1 1 354.418 0.764 20 30 FCEDMM C=CC(C)(C)CCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588486869 1282519801 /nfs/dbraw/zinc/51/98/01/1282519801.db2.gz LFUKMQDVRMMJMB-UHFFFAOYSA-N -1 1 362.394 0.031 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001588481725 1282520072 /nfs/dbraw/zinc/52/00/72/1282520072.db2.gz NVWVGSNUAGKUPD-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001588481725 1282520085 /nfs/dbraw/zinc/52/00/85/1282520085.db2.gz NVWVGSNUAGKUPD-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588481585 1282520870 /nfs/dbraw/zinc/52/08/70/1282520870.db2.gz MFTRBHRBAHSUCE-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588481585 1282520876 /nfs/dbraw/zinc/52/08/76/1282520876.db2.gz MFTRBHRBAHSUCE-NSHDSACASA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588497311 1282525807 /nfs/dbraw/zinc/52/58/07/1282525807.db2.gz ZJFBYMSUKGGTMW-PRXAMGSTSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001588495490 1282526227 /nfs/dbraw/zinc/52/62/27/1282526227.db2.gz GCBXRGLDBDVPGP-PBFPGSCMSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001588495490 1282526236 /nfs/dbraw/zinc/52/62/36/1282526236.db2.gz GCBXRGLDBDVPGP-PBFPGSCMSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588498728 1282528198 /nfs/dbraw/zinc/52/81/98/1282528198.db2.gz CORXTJAWSWRXQO-YVEFUNNKSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588498728 1282528204 /nfs/dbraw/zinc/52/82/04/1282528204.db2.gz CORXTJAWSWRXQO-YVEFUNNKSA-N -1 1 372.433 0.633 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588499483 1282528309 /nfs/dbraw/zinc/52/83/09/1282528309.db2.gz IVMMYTDRZSHAAS-DLBZAZTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588499483 1282528316 /nfs/dbraw/zinc/52/83/16/1282528316.db2.gz IVMMYTDRZSHAAS-DLBZAZTESA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588500064 1282531515 /nfs/dbraw/zinc/53/15/15/1282531515.db2.gz QGPXVRQYRBUISJ-PSTGCABASA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588500064 1282531524 /nfs/dbraw/zinc/53/15/24/1282531524.db2.gz QGPXVRQYRBUISJ-PSTGCABASA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588499819 1282532003 /nfs/dbraw/zinc/53/20/03/1282532003.db2.gz MVJDYPYHTAJZIQ-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588499819 1282532014 /nfs/dbraw/zinc/53/20/14/1282532014.db2.gz MVJDYPYHTAJZIQ-PXAZEXFGSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588501178 1282533496 /nfs/dbraw/zinc/53/34/96/1282533496.db2.gz KOYHQUQWNJYHGQ-MEDUHNTESA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588501178 1282533504 /nfs/dbraw/zinc/53/35/04/1282533504.db2.gz KOYHQUQWNJYHGQ-MEDUHNTESA-N -1 1 358.406 0.387 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588500993 1282536120 /nfs/dbraw/zinc/53/61/20/1282536120.db2.gz HSURPRUKNUXAJK-SJCJKPOMSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588500993 1282536126 /nfs/dbraw/zinc/53/61/26/1282536126.db2.gz HSURPRUKNUXAJK-SJCJKPOMSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588503002 1282540076 /nfs/dbraw/zinc/54/00/76/1282540076.db2.gz VZEXZAKSAYIYLF-INIZCTEOSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588503002 1282540087 /nfs/dbraw/zinc/54/00/87/1282540087.db2.gz VZEXZAKSAYIYLF-INIZCTEOSA-N -1 1 358.406 0.023 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588504368 1282542025 /nfs/dbraw/zinc/54/20/25/1282542025.db2.gz KHYJUSPLFLBTPF-INIZCTEOSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588504368 1282542032 /nfs/dbraw/zinc/54/20/32/1282542032.db2.gz KHYJUSPLFLBTPF-INIZCTEOSA-N -1 1 360.422 0.464 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588503816 1282542582 /nfs/dbraw/zinc/54/25/82/1282542582.db2.gz GAUMMVMSQITCAR-SJKOYZFVSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588503816 1282542592 /nfs/dbraw/zinc/54/25/92/1282542592.db2.gz 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C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588509639 1282550766 /nfs/dbraw/zinc/55/07/66/1282550766.db2.gz XUDZSDONPMPLHE-PSTGCABASA-N -1 1 372.433 0.245 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001588526452 1282557654 /nfs/dbraw/zinc/55/76/54/1282557654.db2.gz WRAZJFCPJVFZJV-PVTKRXDGSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001588526452 1282557664 /nfs/dbraw/zinc/55/76/64/1282557664.db2.gz WRAZJFCPJVFZJV-PVTKRXDGSA-N -1 1 354.418 0.810 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588531881 1282560070 /nfs/dbraw/zinc/56/00/70/1282560070.db2.gz LJRQWYAZQVKALB-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588531881 1282560077 /nfs/dbraw/zinc/56/00/77/1282560077.db2.gz LJRQWYAZQVKALB-LLVKDONJSA-N -1 1 360.422 0.490 20 30 FCEDMM 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FCEDMM C=CCOCC(=O)N(CC)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588667400 1282623812 /nfs/dbraw/zinc/62/38/12/1282623812.db2.gz YCQXWYYFCMKFFH-CYBMUJFWSA-N -1 1 372.433 0.595 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588667401 1282625283 /nfs/dbraw/zinc/62/52/83/1282625283.db2.gz YCQXWYYFCMKFFH-ZDUSSCGKSA-N -1 1 372.433 0.595 20 30 FCEDMM C=CCOCC(=O)N(CC)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588667401 1282625296 /nfs/dbraw/zinc/62/52/96/1282625296.db2.gz YCQXWYYFCMKFFH-ZDUSSCGKSA-N -1 1 372.433 0.595 20 30 FCEDMM C=CCOCC(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588671898 1282629051 /nfs/dbraw/zinc/62/90/51/1282629051.db2.gz PADAYOROVLPGMC-INIZCTEOSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588671898 1282629067 /nfs/dbraw/zinc/62/90/67/1282629067.db2.gz PADAYOROVLPGMC-INIZCTEOSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588674174 1282629669 /nfs/dbraw/zinc/62/96/69/1282629669.db2.gz KDWSDGIKQRXWQR-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588674174 1282629686 /nfs/dbraw/zinc/62/96/86/1282629686.db2.gz KDWSDGIKQRXWQR-VXGBXAGGSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCCCC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588681065 1282638095 /nfs/dbraw/zinc/63/80/95/1282638095.db2.gz IIPFATLXAUPPDC-UHFFFAOYSA-N -1 1 372.433 0.678 20 30 FCEDMM C=CCOCCCC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588681065 1282638107 /nfs/dbraw/zinc/63/81/07/1282638107.db2.gz IIPFATLXAUPPDC-UHFFFAOYSA-N -1 1 372.433 0.678 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588681063 1282638617 /nfs/dbraw/zinc/63/86/17/1282638617.db2.gz IIGPLXCODKFVLB-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588681063 1282638619 /nfs/dbraw/zinc/63/86/19/1282638619.db2.gz IIGPLXCODKFVLB-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588682700 1282643801 /nfs/dbraw/zinc/64/38/01/1282643801.db2.gz POPCYPUCEHLLDF-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588682700 1282643811 /nfs/dbraw/zinc/64/38/11/1282643811.db2.gz POPCYPUCEHLLDF-TXEJJXNPSA-N -1 1 358.406 0.699 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCO[C@@H](CC)C1 ZINC001588698818 1282653011 /nfs/dbraw/zinc/65/30/11/1282653011.db2.gz BHMKGTCRLLRXGM-JTQLQIEISA-N -1 1 356.394 0.650 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001588699127 1282654451 /nfs/dbraw/zinc/65/44/51/1282654451.db2.gz DAVNQHGEKMFCGB-BETUJISGSA-N -1 1 365.401 0.789 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001588699127 1282654465 /nfs/dbraw/zinc/65/44/65/1282654465.db2.gz DAVNQHGEKMFCGB-BETUJISGSA-N -1 1 365.401 0.789 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCC(C)(F)CC1 ZINC001588709476 1282655803 /nfs/dbraw/zinc/65/58/03/1282655803.db2.gz SFBBLEBXDDEFEY-UHFFFAOYSA-N -1 1 373.400 0.612 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCC(F)CC1 ZINC001588709046 1282656065 /nfs/dbraw/zinc/65/60/65/1282656065.db2.gz NUQZLLWOPHPCPO-UHFFFAOYSA-N -1 1 359.373 0.222 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)CCCCOC ZINC001588709480 1282657221 /nfs/dbraw/zinc/65/72/21/1282657221.db2.gz SGXWHJLSMMSWEJ-UHFFFAOYSA-N -1 1 373.425 0.147 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588718261 1282664607 /nfs/dbraw/zinc/66/46/07/1282664607.db2.gz FBOUBYHEWKVIGL-OLZOCXBDSA-N -1 1 372.433 0.533 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588718261 1282664621 /nfs/dbraw/zinc/66/46/21/1282664621.db2.gz FBOUBYHEWKVIGL-OLZOCXBDSA-N -1 1 372.433 0.533 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588721828 1282669578 /nfs/dbraw/zinc/66/95/78/1282669578.db2.gz OJMNQUNLFJSXKL-BZPMIXESSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588721828 1282669579 /nfs/dbraw/zinc/66/95/79/1282669579.db2.gz OJMNQUNLFJSXKL-BZPMIXESSA-N -1 1 372.433 0.945 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588727778 1282674689 /nfs/dbraw/zinc/67/46/89/1282674689.db2.gz IKTYASGKNGMBDF-OCCSQVGLSA-N -1 1 370.417 0.437 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588727778 1282674703 /nfs/dbraw/zinc/67/47/03/1282674703.db2.gz IKTYASGKNGMBDF-OCCSQVGLSA-N -1 1 370.417 0.437 20 30 FCEDMM CC#CCCCC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588739897 1282678356 /nfs/dbraw/zinc/67/83/56/1282678356.db2.gz AWQNNESWBLOKTP-UHFFFAOYSA-N -1 1 354.418 0.579 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588740837 1282682758 /nfs/dbraw/zinc/68/27/58/1282682758.db2.gz YCPWWBFCNVZWRG-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588740837 1282682766 /nfs/dbraw/zinc/68/27/66/1282682766.db2.gz YCPWWBFCNVZWRG-ZSOGYDGISA-N -1 1 366.429 0.649 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588740291 1282683715 /nfs/dbraw/zinc/68/37/15/1282683715.db2.gz LAACZAKGWZMPLL-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588740291 1282683725 /nfs/dbraw/zinc/68/37/25/1282683725.db2.gz LAACZAKGWZMPLL-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)o1 ZINC001588781388 1282700478 /nfs/dbraw/zinc/70/04/78/1282700478.db2.gz ZLBWGDBPXXZABI-UHFFFAOYSA-N -1 1 367.329 0.529 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588929188 1282729064 /nfs/dbraw/zinc/72/90/64/1282729064.db2.gz PFEBUFRISGVQMG-RYUDHWBXSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588929188 1282729077 /nfs/dbraw/zinc/72/90/77/1282729077.db2.gz PFEBUFRISGVQMG-RYUDHWBXSA-N -1 1 355.406 0.682 20 30 FCEDMM C[C@@H](C(=O)NCc1cccc(OCC#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588998781 1282763569 /nfs/dbraw/zinc/76/35/69/1282763569.db2.gz VXSYYDHIPIUTAT-JTQLQIEISA-N -1 1 353.346 0.238 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001589068084 1282790729 /nfs/dbraw/zinc/79/07/29/1282790729.db2.gz LFLHWZKWFFIDDI-GFCCVEGCSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001589068084 1282790736 /nfs/dbraw/zinc/79/07/36/1282790736.db2.gz LFLHWZKWFFIDDI-GFCCVEGCSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N(C)CCOCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001589380355 1282857171 /nfs/dbraw/zinc/85/71/71/1282857171.db2.gz VDACGMOVMVJBCH-UHFFFAOYSA-N -1 1 372.433 0.227 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385278 1282859704 /nfs/dbraw/zinc/85/97/04/1282859704.db2.gz YPVSWDSIQVSCTH-KGLIPLIRSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001589389844 1282870707 /nfs/dbraw/zinc/87/07/07/1282870707.db2.gz PHGRJQTUVDFTLX-CYBMUJFWSA-N -1 1 356.434 0.681 20 30 FCEDMM CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590100662 1283212113 /nfs/dbraw/zinc/21/21/13/1283212113.db2.gz PQFMCDDHKSQAQX-GFCCVEGCSA-N -1 1 352.402 0.141 20 30 FCEDMM C[C@@]1(CNC(=O)C#CC2CC2)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590129723 1283234369 /nfs/dbraw/zinc/23/43/69/1283234369.db2.gz SAAJFUTWJPQZBR-SFHVURJKSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@@]1(CNC(=O)C#CC2CC2)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590129723 1283234375 /nfs/dbraw/zinc/23/43/75/1283234375.db2.gz SAAJFUTWJPQZBR-SFHVURJKSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590170744 1283266935 /nfs/dbraw/zinc/26/69/35/1283266935.db2.gz KZOQLASACZRJJQ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)CSCC#N)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590170744 1283266945 /nfs/dbraw/zinc/26/69/45/1283266945.db2.gz KZOQLASACZRJJQ-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001590172417 1283273008 /nfs/dbraw/zinc/27/30/08/1283273008.db2.gz ZPQQXFKVKVSUTJ-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001590172417 1283273019 /nfs/dbraw/zinc/27/30/19/1283273019.db2.gz ZPQQXFKVKVSUTJ-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590212404 1283342544 /nfs/dbraw/zinc/34/25/44/1283342544.db2.gz PBHZIRZMEVJLDW-MNOVXSKESA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590212404 1283342553 /nfs/dbraw/zinc/34/25/53/1283342553.db2.gz PBHZIRZMEVJLDW-MNOVXSKESA-N -1 1 373.446 0.705 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590266721 1283392942 /nfs/dbraw/zinc/39/29/42/1283392942.db2.gz UXDPLHPKESEJFW-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590266721 1283392948 /nfs/dbraw/zinc/39/29/48/1283392948.db2.gz UXDPLHPKESEJFW-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590281898 1283409783 /nfs/dbraw/zinc/40/97/83/1283409783.db2.gz HFUCUXKPKWQUMJ-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590281898 1283409789 /nfs/dbraw/zinc/40/97/89/1283409789.db2.gz HFUCUXKPKWQUMJ-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590283326 1283410724 /nfs/dbraw/zinc/41/07/24/1283410724.db2.gz MSOCEPIBWHDEID-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590283326 1283410728 /nfs/dbraw/zinc/41/07/28/1283410728.db2.gz MSOCEPIBWHDEID-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590292103 1283424782 /nfs/dbraw/zinc/42/47/82/1283424782.db2.gz IVYVPNHVNRMLML-NXEZZACHSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590292103 1283424792 /nfs/dbraw/zinc/42/47/92/1283424792.db2.gz IVYVPNHVNRMLML-NXEZZACHSA-N -1 1 359.419 0.172 20 30 FCEDMM CCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590537969 1283598969 /nfs/dbraw/zinc/59/89/69/1283598969.db2.gz ISRAMONURZDVKR-LLVKDONJSA-N -1 1 355.406 0.661 20 30 FCEDMM CCCC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590537969 1283598977 /nfs/dbraw/zinc/59/89/77/1283598977.db2.gz ISRAMONURZDVKR-LLVKDONJSA-N -1 1 355.406 0.661 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590668923 1283715628 /nfs/dbraw/zinc/71/56/28/1283715628.db2.gz HATVVJAXHMTHPD-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590668923 1283715641 /nfs/dbraw/zinc/71/56/41/1283715641.db2.gz HATVVJAXHMTHPD-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CCOCCCN(C[C@@H](C)C(=O)OC)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590810244 1283886376 /nfs/dbraw/zinc/88/63/76/1283886376.db2.gz FYXKVZLCAMSKOV-LLVKDONJSA-N -1 1 374.405 0.570 20 30 FCEDMM CC[C@@H](C#N)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001590855309 1283927468 /nfs/dbraw/zinc/92/74/68/1283927468.db2.gz GLHZCPIKLKSTRT-NSHDSACASA-N -1 1 353.390 0.877 20 30 FCEDMM CC[C@@H](C#N)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001590855309 1283927472 /nfs/dbraw/zinc/92/74/72/1283927472.db2.gz GLHZCPIKLKSTRT-NSHDSACASA-N -1 1 353.390 0.877 20 30 FCEDMM CCOc1ccccc1NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001590854351 1283928163 /nfs/dbraw/zinc/92/81/63/1283928163.db2.gz GRZBAHLWOOVKHZ-UHFFFAOYSA-N -1 1 353.346 0.554 20 30 FCEDMM CCc1nc(NC[C@@H](O)CN(C)C(=O)C#CC(C)C)cc(-c2nnn[n-]2)n1 ZINC001590917189 1283964434 /nfs/dbraw/zinc/96/44/34/1283964434.db2.gz CWIZLALFSUVPAK-GFCCVEGCSA-N -1 1 372.433 0.110 20 30 FCEDMM CCc1nc(NC[C@@H](O)CN(C)C(=O)C#CC(C)C)cc(-c2nn[n-]n2)n1 ZINC001590917189 1283964441 /nfs/dbraw/zinc/96/44/41/1283964441.db2.gz CWIZLALFSUVPAK-GFCCVEGCSA-N -1 1 372.433 0.110 20 30 FCEDMM CCc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001590916475 1283964663 /nfs/dbraw/zinc/96/46/63/1283964663.db2.gz PTAZQXZNISFCAE-RISCZKNCSA-N -1 1 366.429 0.891 20 30 FCEDMM CCc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001590916475 1283964670 /nfs/dbraw/zinc/96/46/70/1283964670.db2.gz PTAZQXZNISFCAE-RISCZKNCSA-N -1 1 366.429 0.891 20 30 FCEDMM CN(C(=O)CSCC#N)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001590984072 1284039886 /nfs/dbraw/zinc/03/98/86/1284039886.db2.gz AGSVXAHEUQPKGD-GFCCVEGCSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C(=O)CSCC#N)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001590984072 1284039890 /nfs/dbraw/zinc/03/98/90/1284039890.db2.gz AGSVXAHEUQPKGD-GFCCVEGCSA-N -1 1 373.446 0.562 20 30 FCEDMM CN(C)C(=O)C1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001591002349 1284057999 /nfs/dbraw/zinc/05/79/99/1284057999.db2.gz QFXVUJIPICHSIN-UHFFFAOYSA-N -1 1 357.378 0.295 20 30 FCEDMM CN(C)c1nccc(NN=C2CCCc3c2c[nH]c(=O)c3-c2nn[n-]n2)n1 ZINC001591035358 1284094367 /nfs/dbraw/zinc/09/43/67/1284094367.db2.gz LIPGSXBQYBMTSK-UHFFFAOYSA-N -1 1 366.389 0.976 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001591055389 1284114520 /nfs/dbraw/zinc/11/45/20/1284114520.db2.gz GTQGSEKLXSBRKJ-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@H]1CCCN(C(=O)C#CC2CC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001591055389 1284114525 /nfs/dbraw/zinc/11/45/25/1284114525.db2.gz GTQGSEKLXSBRKJ-CQSZACIVSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001591077171 1284144355 /nfs/dbraw/zinc/14/43/55/1284144355.db2.gz VBVXFKPODPRIDB-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001591077171 1284144358 /nfs/dbraw/zinc/14/43/58/1284144358.db2.gz VBVXFKPODPRIDB-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNc1cnc(-c2nnn[n-]2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001591084123 1284155888 /nfs/dbraw/zinc/15/58/88/1284155888.db2.gz WPZSKYTUOWMHME-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1cnc(-c2nn[n-]n2)cn1)C(=O)c1ccc(C#N)[nH]1 ZINC001591084123 1284155893 /nfs/dbraw/zinc/15/58/93/1284155893.db2.gz WPZSKYTUOWMHME-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591090773 1284163815 /nfs/dbraw/zinc/16/38/15/1284163815.db2.gz VFOOUSHWTBICAQ-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591090773 1284163819 /nfs/dbraw/zinc/16/38/19/1284163819.db2.gz VFOOUSHWTBICAQ-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCNC(=O)C#CC1CC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591095978 1284165481 /nfs/dbraw/zinc/16/54/81/1284165481.db2.gz VGSXZIJUHWPADQ-UHFFFAOYSA-N -1 1 351.823 0.942 20 30 FCEDMM CN(CCNC(=O)C#CC1CC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591095978 1284165488 /nfs/dbraw/zinc/16/54/88/1284165488.db2.gz VGSXZIJUHWPADQ-UHFFFAOYSA-N -1 1 351.823 0.942 20 30 FCEDMM CN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)CC#Cc1ccccc1 ZINC001591107104 1284180613 /nfs/dbraw/zinc/18/06/13/1284180613.db2.gz OPGMRWNRNWOYBN-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM CN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)CC#Cc1ccccc1 ZINC001591107104 1284180614 /nfs/dbraw/zinc/18/06/14/1284180614.db2.gz OPGMRWNRNWOYBN-UHFFFAOYSA-N -1 1 362.397 0.969 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001591158313 1284232506 /nfs/dbraw/zinc/23/25/06/1284232506.db2.gz SDLYJLUODXLHOH-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM COc1cc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)ccc1C#N ZINC001591538041 1284722919 /nfs/dbraw/zinc/72/29/19/1284722919.db2.gz HJXZKICDUQDCBO-UHFFFAOYSA-N -1 1 371.382 0.620 20 30 FCEDMM COc1cccc(CNC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001591638822 1284777116 /nfs/dbraw/zinc/77/71/16/1284777116.db2.gz LAUPSHOYXXQAIO-UHFFFAOYSA-N -1 1 352.358 0.568 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001591738275 1284865308 /nfs/dbraw/zinc/86/53/08/1284865308.db2.gz MPPMPDNGTPNQPN-MWLCHTKSSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001591738275 1284865316 /nfs/dbraw/zinc/86/53/16/1284865316.db2.gz MPPMPDNGTPNQPN-MWLCHTKSSA-N -1 1 359.419 0.172 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)CSCC#N)CC2)n1 ZINC001591894462 1284984201 /nfs/dbraw/zinc/98/42/01/1284984201.db2.gz WLCHZXPDRIFPIP-UHFFFAOYSA-N -1 1 373.446 0.625 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)CSCC#N)CC2)n1 ZINC001591894462 1284984207 /nfs/dbraw/zinc/98/42/07/1284984207.db2.gz WLCHZXPDRIFPIP-UHFFFAOYSA-N -1 1 373.446 0.625 20 30 FCEDMM Cc1cc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c(C)n1-c1nc[nH]n1 ZINC001591908085 1285000229 /nfs/dbraw/zinc/00/02/29/1285000229.db2.gz OMHCHNDSMYBXTP-UHFFFAOYSA-N -1 1 363.345 0.343 20 30 FCEDMM Cc1ccccc1C[C@H](C)NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001592257373 1285201709 /nfs/dbraw/zinc/20/17/09/1285201709.db2.gz VAUXJDFNVDGFCC-NSHDSACASA-N -1 1 365.401 0.573 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC001592335918 1285243781 /nfs/dbraw/zinc/24/37/81/1285243781.db2.gz NAZKPUBJTORUKY-UHFFFAOYSA-N -1 1 362.375 0.135 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCc1cc(F)cc(F)c1 ZINC001592335616 1285244350 /nfs/dbraw/zinc/24/43/50/1285244350.db2.gz WLIWWNZSJSMBNH-UHFFFAOYSA-N -1 1 358.312 0.838 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)o1 ZINC001592335983 1285245613 /nfs/dbraw/zinc/24/56/13/1285245613.db2.gz PJGRYIBCUGGMLK-LBPRGKRZSA-N -1 1 372.389 0.131 20 30 FCEDMM Cc1nn(-c2ccccc2)c(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)c1C#N ZINC001592427263 1285357329 /nfs/dbraw/zinc/35/73/29/1285357329.db2.gz YTCWFVCGXZMHHS-UHFFFAOYSA-N -1 1 371.368 0.931 20 30 FCEDMM Cc1nsc(N2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)c1C#N ZINC001592475750 1285415398 /nfs/dbraw/zinc/41/53/98/1285415398.db2.gz HMHLFJCVPKWJAT-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)c1C#N ZINC001592475750 1285415401 /nfs/dbraw/zinc/41/54/01/1285415401.db2.gz HMHLFJCVPKWJAT-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1nsc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1nnn[n-]1 ZINC001592477100 1285418184 /nfs/dbraw/zinc/41/81/84/1285418184.db2.gz OHEHDXXELQWSJV-QPUJVOFHSA-N -1 1 351.417 0.006 20 30 FCEDMM Cc1nsc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1nn[n-]n1 ZINC001592477100 1285418187 /nfs/dbraw/zinc/41/81/87/1285418187.db2.gz OHEHDXXELQWSJV-QPUJVOFHSA-N -1 1 351.417 0.006 20 30 FCEDMM Cc1sc2[nH]c(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)nc(=O)c2c1C ZINC001592520175 1285446946 /nfs/dbraw/zinc/44/69/46/1285446946.db2.gz RHWGPXRKUISCJM-UHFFFAOYSA-N -1 1 368.386 0.893 20 30 FCEDMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001604829243 1287788937 /nfs/dbraw/zinc/78/89/37/1287788937.db2.gz FPWWHIYAJHAWOC-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001604829243 1287788941 /nfs/dbraw/zinc/78/89/41/1287788941.db2.gz FPWWHIYAJHAWOC-LLVKDONJSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001604832235 1287792989 /nfs/dbraw/zinc/79/29/89/1287792989.db2.gz ZNXDFSMWYFRYMF-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM N#C[C@H]1CSCCN1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001592671795 1285568265 /nfs/dbraw/zinc/56/82/65/1285568265.db2.gz OPVYXPBRLJJNPI-LBPRGKRZSA-N -1 1 357.443 0.806 20 30 FCEDMM N#C[C@@H]1CN(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CCN1C1CC1 ZINC001592671445 1285568455 /nfs/dbraw/zinc/56/84/55/1285568455.db2.gz HAUOOFLXYYHFFI-CQSZACIVSA-N -1 1 366.429 0.147 20 30 FCEDMM N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001592676836 1285568964 /nfs/dbraw/zinc/56/89/64/1285568964.db2.gz AJTBQOGHADLPCO-UHFFFAOYSA-N -1 1 370.398 0.761 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001592679212 1285573832 /nfs/dbraw/zinc/57/38/32/1285573832.db2.gz IYZNFKZZXAOJHE-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001592679212 1285573840 /nfs/dbraw/zinc/57/38/40/1285573840.db2.gz IYZNFKZZXAOJHE-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001592679371 1285575799 /nfs/dbraw/zinc/57/57/99/1285575799.db2.gz OSLKXUALEMOBLK-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001592679371 1285575808 /nfs/dbraw/zinc/57/58/08/1285575808.db2.gz OSLKXUALEMOBLK-NSHDSACASA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001592679307 1285577300 /nfs/dbraw/zinc/57/73/00/1285577300.db2.gz MBOANBYBHXLPIJ-NSHDSACASA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001592679307 1285577303 /nfs/dbraw/zinc/57/73/03/1285577303.db2.gz MBOANBYBHXLPIJ-NSHDSACASA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001592680476 1285579362 /nfs/dbraw/zinc/57/93/62/1285579362.db2.gz OVAAFUYCDAVVQC-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001592680476 1285579368 /nfs/dbraw/zinc/57/93/68/1285579368.db2.gz OVAAFUYCDAVVQC-UHFFFAOYSA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592680531 1285579466 /nfs/dbraw/zinc/57/94/66/1285579466.db2.gz RSLPOLHAGKUSSJ-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592680531 1285579468 /nfs/dbraw/zinc/57/94/68/1285579468.db2.gz RSLPOLHAGKUSSJ-JTQLQIEISA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1[n-]c(NC(=O)CCc2cccc3c2OCO3)nc1-c1nn[nH]n1 ZINC001592683095 1285582064 /nfs/dbraw/zinc/58/20/64/1285582064.db2.gz KIJPWTYYFOBHIG-UHFFFAOYSA-N -1 1 352.314 0.761 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001592686217 1285583133 /nfs/dbraw/zinc/58/31/33/1285583133.db2.gz SYCZQSXMVDEASB-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001592686217 1285583144 /nfs/dbraw/zinc/58/31/44/1285583144.db2.gz SYCZQSXMVDEASB-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001592686339 1285583451 /nfs/dbraw/zinc/58/34/51/1285583451.db2.gz IOWHTTIOBSMQIF-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001592686339 1285583460 /nfs/dbraw/zinc/58/34/60/1285583460.db2.gz IOWHTTIOBSMQIF-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ncc(N2CCC[C@H](C(=O)NCC3CC3)C2)nc1-c1nn[n-]n1 ZINC001592708456 1285592497 /nfs/dbraw/zinc/59/24/97/1285592497.db2.gz RRNXONGZTSWCFZ-NSHDSACASA-N -1 1 353.390 0.271 20 30 FCEDMM N#Cc1nc(NCCn2cc(-c3ccccc3)nn2)cnc1-c1nnn[n-]1 ZINC001592707461 1285592916 /nfs/dbraw/zinc/59/29/16/1285592916.db2.gz FMIIKCQLXBVVCU-UHFFFAOYSA-N -1 1 359.357 0.899 20 30 FCEDMM N#Cc1nc(NCCn2cc(-c3ccccc3)nn2)cnc1-c1nn[n-]n1 ZINC001592707461 1285592922 /nfs/dbraw/zinc/59/29/22/1285592922.db2.gz FMIIKCQLXBVVCU-UHFFFAOYSA-N -1 1 359.357 0.899 20 30 FCEDMM N#Cc1ncc(N[C@H]2CN(c3ccc(F)cc3)C2=O)nc1-c1nn[n-]n1 ZINC001592710703 1285596250 /nfs/dbraw/zinc/59/62/50/1285596250.db2.gz VTXHXWKMWVCJRB-NSHDSACASA-N -1 1 351.305 0.495 20 30 FCEDMM N#Cc1ncc(NC[C@@H](O)C(F)(F)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001592710431 1285596365 /nfs/dbraw/zinc/59/63/65/1285596365.db2.gz OFONRTWQQOFYMM-RXMQYKEDSA-N -1 1 350.211 0.499 20 30 FCEDMM O=C(C#CC1CC1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001592766756 1285688172 /nfs/dbraw/zinc/68/81/72/1285688172.db2.gz SEJKOVYMQIPQRM-UHFFFAOYSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001592766756 1285688182 /nfs/dbraw/zinc/68/81/82/1285688182.db2.gz SEJKOVYMQIPQRM-UHFFFAOYSA-N -1 1 352.402 0.721 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001592766128 1285688415 /nfs/dbraw/zinc/68/84/15/1285688415.db2.gz DCLXSHFRTTZFET-KGLIPLIRSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592768012 1285691358 /nfs/dbraw/zinc/69/13/58/1285691358.db2.gz WQCWDYOXMRGGJG-JOCQHMNTSA-N -1 1 352.402 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592768012 1285691364 /nfs/dbraw/zinc/69/13/64/1285691364.db2.gz WQCWDYOXMRGGJG-JOCQHMNTSA-N -1 1 352.402 0.909 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnccc1C#N ZINC001609275456 1289040974 /nfs/dbraw/zinc/04/09/74/1289040974.db2.gz FITYWFCAYWERHU-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnccc1C#N ZINC001609275456 1289040977 /nfs/dbraw/zinc/04/09/77/1289040977.db2.gz FITYWFCAYWERHU-UHFFFAOYSA-N -1 1 352.362 0.143 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602703309 1287065421 /nfs/dbraw/zinc/06/54/21/1287065421.db2.gz NPXBAWYCXPRMRR-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602703309 1287065428 /nfs/dbraw/zinc/06/54/28/1287065428.db2.gz NPXBAWYCXPRMRR-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602703662 1287066977 /nfs/dbraw/zinc/06/69/77/1287066977.db2.gz XTJQCCBWMHQFFT-OLZOCXBDSA-N -1 1 354.418 0.531 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602706642 1287069673 /nfs/dbraw/zinc/06/96/73/1287069673.db2.gz XOXHJDHEOYBQPX-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602706642 1287069685 /nfs/dbraw/zinc/06/96/85/1287069685.db2.gz XOXHJDHEOYBQPX-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602725672 1287083177 /nfs/dbraw/zinc/08/31/77/1287083177.db2.gz LTWANPJMENBMAD-NEPJUHHUSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602725672 1287083188 /nfs/dbraw/zinc/08/31/88/1287083188.db2.gz LTWANPJMENBMAD-NEPJUHHUSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001602725429 1287083963 /nfs/dbraw/zinc/08/39/63/1287083963.db2.gz KGGKESFMUCKBIH-LLVKDONJSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001602725429 1287083979 /nfs/dbraw/zinc/08/39/79/1287083979.db2.gz KGGKESFMUCKBIH-LLVKDONJSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001602725655 1287084750 /nfs/dbraw/zinc/08/47/50/1287084750.db2.gz LPYMAHROLXFRSA-STQMWFEESA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001602725655 1287084759 /nfs/dbraw/zinc/08/47/59/1287084759.db2.gz LPYMAHROLXFRSA-STQMWFEESA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001602725887 1287085383 /nfs/dbraw/zinc/08/53/83/1287085383.db2.gz NPMZXLPMEJRTSN-BXUZGUMPSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001602725887 1287085395 /nfs/dbraw/zinc/08/53/95/1287085395.db2.gz NPMZXLPMEJRTSN-BXUZGUMPSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001602726010 1287085671 /nfs/dbraw/zinc/08/56/71/1287085671.db2.gz NPMZXLPMEJRTSN-SMDDNHRTSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001602726010 1287085683 /nfs/dbraw/zinc/08/56/83/1287085683.db2.gz NPMZXLPMEJRTSN-SMDDNHRTSA-N -1 1 370.417 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602727128 1287092466 /nfs/dbraw/zinc/09/24/66/1287092466.db2.gz VELWRBCZQMJLCN-STQMWFEESA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602727128 1287092479 /nfs/dbraw/zinc/09/24/79/1287092479.db2.gz VELWRBCZQMJLCN-STQMWFEESA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001602727172 1287092678 /nfs/dbraw/zinc/09/26/78/1287092678.db2.gz WCIUXRRLFMVBIF-PXAZEXFGSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001602727172 1287092687 /nfs/dbraw/zinc/09/26/87/1287092687.db2.gz WCIUXRRLFMVBIF-PXAZEXFGSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC001602727397 1287093093 /nfs/dbraw/zinc/09/30/93/1287093093.db2.gz XGTHSEXGTWUQSA-LBPRGKRZSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC001602727397 1287093101 /nfs/dbraw/zinc/09/31/01/1287093101.db2.gz XGTHSEXGTWUQSA-LBPRGKRZSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001602727582 1287094957 /nfs/dbraw/zinc/09/49/57/1287094957.db2.gz PXSJZXLWIJFDAB-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001602727582 1287094968 /nfs/dbraw/zinc/09/49/68/1287094968.db2.gz PXSJZXLWIJFDAB-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001602729533 1287095779 /nfs/dbraw/zinc/09/57/79/1287095779.db2.gz WCSIMOMXIUKDKA-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001602729533 1287095784 /nfs/dbraw/zinc/09/57/84/1287095784.db2.gz WCSIMOMXIUKDKA-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001602729398 1287097244 /nfs/dbraw/zinc/09/72/44/1287097244.db2.gz QHELWPPBSXZZCA-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001602736676 1287098575 /nfs/dbraw/zinc/09/85/75/1287098575.db2.gz DUVWXIJJDIDKFI-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001602736676 1287098588 /nfs/dbraw/zinc/09/85/88/1287098588.db2.gz DUVWXIJJDIDKFI-ZDUSSCGKSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC001602736869 1287100142 /nfs/dbraw/zinc/10/01/42/1287100142.db2.gz HYMNDOPKRJYYCE-UHFFFAOYSA-N -1 1 361.369 0.408 20 30 FCEDMM C#Cc1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC001602736869 1287100144 /nfs/dbraw/zinc/10/01/44/1287100144.db2.gz HYMNDOPKRJYYCE-UHFFFAOYSA-N -1 1 361.369 0.408 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001602739422 1287101721 /nfs/dbraw/zinc/10/17/21/1287101721.db2.gz JPZBREGYXJMHFT-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001602739422 1287101726 /nfs/dbraw/zinc/10/17/26/1287101726.db2.gz JPZBREGYXJMHFT-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001602742757 1287102376 /nfs/dbraw/zinc/10/23/76/1287102376.db2.gz JYQJVNIGKPLELE-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001602742757 1287102382 /nfs/dbraw/zinc/10/23/82/1287102382.db2.gz JYQJVNIGKPLELE-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602743565 1287102692 /nfs/dbraw/zinc/10/26/92/1287102692.db2.gz YFDZYKFVGURBRL-OAHLLOKOSA-N -1 1 374.408 0.576 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602743565 1287102699 /nfs/dbraw/zinc/10/26/99/1287102699.db2.gz YFDZYKFVGURBRL-OAHLLOKOSA-N -1 1 374.408 0.576 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001602756440 1287104360 /nfs/dbraw/zinc/10/43/60/1287104360.db2.gz NPJBTOFPWSNWKU-ZYHUDNBSSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001602756440 1287104364 /nfs/dbraw/zinc/10/43/64/1287104364.db2.gz NPJBTOFPWSNWKU-ZYHUDNBSSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)OCC ZINC001602753284 1287104530 /nfs/dbraw/zinc/10/45/30/1287104530.db2.gz NKOOFNQIVZRXQZ-XQQFMLRXSA-N -1 1 372.433 0.509 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001602756132 1287105548 /nfs/dbraw/zinc/10/55/48/1287105548.db2.gz DHGOMYTVKJZYDA-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)Cn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N(C)CCCOC ZINC001602763825 1287107204 /nfs/dbraw/zinc/10/72/04/1287107204.db2.gz CWZXRZPOSZCUPG-UHFFFAOYSA-N -1 1 373.425 0.147 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001602770349 1287108701 /nfs/dbraw/zinc/10/87/01/1287108701.db2.gz XCMZYWZTENWIPE-MDZLAQPJSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001602770349 1287108706 /nfs/dbraw/zinc/10/87/06/1287108706.db2.gz XCMZYWZTENWIPE-MDZLAQPJSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001602769907 1287108753 /nfs/dbraw/zinc/10/87/53/1287108753.db2.gz AZRZTLMSSFSKCR-LBPRGKRZSA-N -1 1 370.417 0.652 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001602769907 1287108760 /nfs/dbraw/zinc/10/87/60/1287108760.db2.gz AZRZTLMSSFSKCR-LBPRGKRZSA-N -1 1 370.417 0.652 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602770025 1287108917 /nfs/dbraw/zinc/10/89/17/1287108917.db2.gz RDCZLDMTXJLSGF-DYEKYZERSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001602770348 1287109220 /nfs/dbraw/zinc/10/92/20/1287109220.db2.gz XCMZYWZTENWIPE-GVXVVHGQSA-N -1 1 358.406 0.555 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001602770348 1287109223 /nfs/dbraw/zinc/10/92/23/1287109223.db2.gz XCMZYWZTENWIPE-GVXVVHGQSA-N -1 1 358.406 0.555 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361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001573290884 946911999 /nfs/dbraw/zinc/91/19/99/946911999.db2.gz SCXRIBSLXAUEAR-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573291025 946914751 /nfs/dbraw/zinc/91/47/51/946914751.db2.gz VZNMRNIEWZIUSE-HDJSIYSDSA-N -1 1 360.381 0.433 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)OCC ZINC001573292988 946945268 /nfs/dbraw/zinc/94/52/68/946945268.db2.gz IJAHHYKGSVFSBD-CYBMUJFWSA-N -1 1 360.422 0.580 20 30 FCEDMM C=C(C)[C@@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)OCC ZINC001573292988 946945276 /nfs/dbraw/zinc/94/52/76/946945276.db2.gz IJAHHYKGSVFSBD-CYBMUJFWSA-N -1 1 360.422 0.580 20 30 FCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573562125 946970999 /nfs/dbraw/zinc/97/09/99/946970999.db2.gz QXFYXZLEMMNJHU-BQBZGAKWSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573562125 946971005 /nfs/dbraw/zinc/97/10/05/946971005.db2.gz QXFYXZLEMMNJHU-BQBZGAKWSA-N -1 1 370.826 0.367 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573565778 947016158 /nfs/dbraw/zinc/01/61/58/947016158.db2.gz VUPKMHHCJFWGSS-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573565778 947016171 /nfs/dbraw/zinc/01/61/71/947016171.db2.gz VUPKMHHCJFWGSS-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573566560 947026381 /nfs/dbraw/zinc/02/63/81/947026381.db2.gz DHKWFSYHQKDOKQ-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573566560 947026385 /nfs/dbraw/zinc/02/63/85/947026385.db2.gz DHKWFSYHQKDOKQ-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573566704 947029584 /nfs/dbraw/zinc/02/95/84/947029584.db2.gz FVXBOYDCAUACRK-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573566704 947029592 /nfs/dbraw/zinc/02/95/92/947029592.db2.gz FVXBOYDCAUACRK-NEPJUHHUSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573566766 947031349 /nfs/dbraw/zinc/03/13/49/947031349.db2.gz GUFNMOFZLKZMKE-KGYLQXTDSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573566766 947031357 /nfs/dbraw/zinc/03/13/57/947031357.db2.gz GUFNMOFZLKZMKE-KGYLQXTDSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573567520 947047135 /nfs/dbraw/zinc/04/71/35/947047135.db2.gz NYMDSSYYAXBOGB-GRYCIOLGSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573567573 947049320 /nfs/dbraw/zinc/04/93/20/947049320.db2.gz OTVYHFSRQPSMQR-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573567573 947049335 /nfs/dbraw/zinc/04/93/35/947049335.db2.gz OTVYHFSRQPSMQR-VXGBXAGGSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573567654 947052494 /nfs/dbraw/zinc/05/24/94/947052494.db2.gz QCWLKSXULPFTPB-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573567654 947052506 /nfs/dbraw/zinc/05/25/06/947052506.db2.gz QCWLKSXULPFTPB-TUAOUCFPSA-N -1 1 353.390 0.386 20 30 FCEDMM C=C1CCC(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573296738 947054401 /nfs/dbraw/zinc/05/44/01/947054401.db2.gz ZDMNHQTVTRVFKJ-CYBMUJFWSA-N -1 1 372.433 0.056 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573570054 947082459 /nfs/dbraw/zinc/08/24/59/947082459.db2.gz JDDKXEAYASAPIA-UTUOFQBUSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573570054 947082472 /nfs/dbraw/zinc/08/24/72/947082472.db2.gz JDDKXEAYASAPIA-UTUOFQBUSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573571021 947096039 /nfs/dbraw/zinc/09/60/39/947096039.db2.gz WXYWJKLPKUVHFG-MZPVMMEZSA-N -1 1 367.417 0.491 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573571042 947099788 /nfs/dbraw/zinc/09/97/88/947099788.db2.gz XFKSICOMCIOBJM-CSMHCCOUSA-N -1 1 364.822 0.926 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573571042 947099800 /nfs/dbraw/zinc/09/98/00/947099800.db2.gz XFKSICOMCIOBJM-CSMHCCOUSA-N -1 1 364.822 0.926 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573571993 947106641 /nfs/dbraw/zinc/10/66/41/947106641.db2.gz CQPOHZSYODYNGI-GLKRBJQHSA-N -1 1 353.390 0.434 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001573300177 947107466 /nfs/dbraw/zinc/10/74/66/947107466.db2.gz ONLWMYGGAFWTQA-SNVBAGLBSA-N -1 1 351.436 0.877 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573572061 947109104 /nfs/dbraw/zinc/10/91/04/947109104.db2.gz DMTQGLVIPKVVMX-ZWNOBZJWSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573572061 947109114 /nfs/dbraw/zinc/10/91/14/947109114.db2.gz DMTQGLVIPKVVMX-ZWNOBZJWSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573572416 947112720 /nfs/dbraw/zinc/11/27/20/947112720.db2.gz HJRPXDPFDJZGSY-LLVKDONJSA-N -1 1 355.406 0.469 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001573573929 947126735 /nfs/dbraw/zinc/12/67/35/947126735.db2.gz PRGRVSDBXTUCGY-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001573573929 947126743 /nfs/dbraw/zinc/12/67/43/947126743.db2.gz PRGRVSDBXTUCGY-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573574639 947131074 /nfs/dbraw/zinc/13/10/74/947131074.db2.gz SIHPFNNPSUCRAB-RSAASHCRSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573574639 947131082 /nfs/dbraw/zinc/13/10/82/947131082.db2.gz SIHPFNNPSUCRAB-RSAASHCRSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573575113 947134662 /nfs/dbraw/zinc/13/46/62/947134662.db2.gz VZKZJDOVXQQVBA-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573575113 947134668 /nfs/dbraw/zinc/13/46/68/947134668.db2.gz VZKZJDOVXQQVBA-ZYHUDNBSSA-N -1 1 355.406 0.903 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573304819 947143643 /nfs/dbraw/zinc/14/36/43/947143643.db2.gz HHPXUQTZYFJNDF-XYYAHUGASA-N -1 1 368.445 0.976 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573304819 947143649 /nfs/dbraw/zinc/14/36/49/947143649.db2.gz HHPXUQTZYFJNDF-XYYAHUGASA-N -1 1 368.445 0.976 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573576277 947149412 /nfs/dbraw/zinc/14/94/12/947149412.db2.gz GHZVZXQYQKDKGT-NKWVEPMBSA-N -1 1 352.811 0.831 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573576277 947149419 /nfs/dbraw/zinc/14/94/19/947149419.db2.gz GHZVZXQYQKDKGT-NKWVEPMBSA-N -1 1 352.811 0.831 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573305578 947156997 /nfs/dbraw/zinc/15/69/97/947156997.db2.gz RXXOOHIJDSCLJP-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573305578 947157001 /nfs/dbraw/zinc/15/70/01/947157001.db2.gz RXXOOHIJDSCLJP-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573576958 947157430 /nfs/dbraw/zinc/15/74/30/947157430.db2.gz KKWLEMZUMYMZRG-GHMZBOCLSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573576958 947157433 /nfs/dbraw/zinc/15/74/33/947157433.db2.gz KKWLEMZUMYMZRG-GHMZBOCLSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573577187 947164184 /nfs/dbraw/zinc/16/41/84/947164184.db2.gz NDXRAJYTSQXLDA-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577187 947164187 /nfs/dbraw/zinc/16/41/87/947164187.db2.gz NDXRAJYTSQXLDA-PHDIDXHHSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573577238 947164210 /nfs/dbraw/zinc/16/42/10/947164210.db2.gz OAASKDCZBXSABY-BDJLRTHQSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573577238 947164211 /nfs/dbraw/zinc/16/42/11/947164211.db2.gz OAASKDCZBXSABY-BDJLRTHQSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573577424 947165758 /nfs/dbraw/zinc/16/57/58/947165758.db2.gz PDRFISGUEUAAEM-RITPCOANSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573577424 947165765 /nfs/dbraw/zinc/16/57/65/947165765.db2.gz PDRFISGUEUAAEM-RITPCOANSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573577915 947176208 /nfs/dbraw/zinc/17/62/08/947176208.db2.gz VKHNMCDXOCVALS-NSHDSACASA-N -1 1 355.406 0.469 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573577953 947177913 /nfs/dbraw/zinc/17/79/13/947177913.db2.gz WETQBIPLFLSORP-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573577953 947177920 /nfs/dbraw/zinc/17/79/20/947177920.db2.gz WETQBIPLFLSORP-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573578185 947184151 /nfs/dbraw/zinc/18/41/51/947184151.db2.gz ZSNPTLGKJXHEPP-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573578185 947184158 /nfs/dbraw/zinc/18/41/58/947184158.db2.gz ZSNPTLGKJXHEPP-NWDGAFQWSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573578187 947185129 /nfs/dbraw/zinc/18/51/29/947185129.db2.gz ZSNPTLGKJXHEPP-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573578187 947185139 /nfs/dbraw/zinc/18/51/39/947185139.db2.gz ZSNPTLGKJXHEPP-VXGBXAGGSA-N -1 1 369.433 0.928 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573309149 947191743 /nfs/dbraw/zinc/19/17/43/947191743.db2.gz DJALKGWZLBJWAY-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573309149 947191747 /nfs/dbraw/zinc/19/17/47/947191747.db2.gz DJALKGWZLBJWAY-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573583851 947209859 /nfs/dbraw/zinc/20/98/59/947209859.db2.gz PSEFBLITOOKIHC-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@@H](C#N)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573583851 947209865 /nfs/dbraw/zinc/20/98/65/947209865.db2.gz PSEFBLITOOKIHC-NSHDSACASA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573309866 947210048 /nfs/dbraw/zinc/21/00/48/947210048.db2.gz PDKNCDUQGQCJPK-RHPZDQPFSA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001573309866 947210061 /nfs/dbraw/zinc/21/00/61/947210061.db2.gz PDKNCDUQGQCJPK-RHPZDQPFSA-N -1 1 370.417 0.210 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573584157 947214393 /nfs/dbraw/zinc/21/43/93/947214393.db2.gz QSBBYIRZUHPHFD-GHMZBOCLSA-N -1 1 361.431 0.405 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573310095 947218278 /nfs/dbraw/zinc/21/82/78/947218278.db2.gz SZPIPZRUNKAFKR-HNNXBMFYSA-N -1 1 365.463 0.901 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573310748 947227534 /nfs/dbraw/zinc/22/75/34/947227534.db2.gz ZITWPBBMPZIQHC-GTNSWQLSSA-N -1 1 372.433 0.315 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573310748 947227546 /nfs/dbraw/zinc/22/75/46/947227546.db2.gz ZITWPBBMPZIQHC-GTNSWQLSSA-N -1 1 372.433 0.315 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001573325486 947358806 /nfs/dbraw/zinc/35/88/06/947358806.db2.gz CMAOOBMRHZSUOE-GFCCVEGCSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001573325486 947358817 /nfs/dbraw/zinc/35/88/17/947358817.db2.gz CMAOOBMRHZSUOE-GFCCVEGCSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CCCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335057 947470072 /nfs/dbraw/zinc/47/00/72/947470072.db2.gz VSGHXOLNKLZLJX-QGZVFWFLSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335057 947470076 /nfs/dbraw/zinc/47/00/76/947470076.db2.gz VSGHXOLNKLZLJX-QGZVFWFLSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573337102 947512916 /nfs/dbraw/zinc/51/29/16/947512916.db2.gz UMCPNSIVHYIFND-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573337102 947512921 /nfs/dbraw/zinc/51/29/21/947512921.db2.gz UMCPNSIVHYIFND-ZDUSSCGKSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573337448 947518594 /nfs/dbraw/zinc/51/85/94/947518594.db2.gz XUIXYSGQHHCPKD-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573337448 947518601 /nfs/dbraw/zinc/51/86/01/947518601.db2.gz XUIXYSGQHHCPKD-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573343374 947557009 /nfs/dbraw/zinc/55/70/09/947557009.db2.gz OBVPHJZCMDJIMR-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573343374 947557015 /nfs/dbraw/zinc/55/70/15/947557015.db2.gz OBVPHJZCMDJIMR-STQMWFEESA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573343836 947564312 /nfs/dbraw/zinc/56/43/12/947564312.db2.gz TUFWPGOYUPPVOJ-NWDGAFQWSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573344043 947566640 /nfs/dbraw/zinc/56/66/40/947566640.db2.gz XFHZVQQUJMMNRP-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573344043 947566647 /nfs/dbraw/zinc/56/66/47/947566647.db2.gz XFHZVQQUJMMNRP-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573351723 947618524 /nfs/dbraw/zinc/61/85/24/947618524.db2.gz POSCTTGFZGEAFX-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573351723 947618535 /nfs/dbraw/zinc/61/85/35/947618535.db2.gz POSCTTGFZGEAFX-YPMHNXCESA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573351827 947621681 /nfs/dbraw/zinc/62/16/81/947621681.db2.gz VUACHNZTVWPMSZ-XQQFMLRXSA-N -1 1 372.433 0.367 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573351962 947622525 /nfs/dbraw/zinc/62/25/25/947622525.db2.gz YDSHPNNMCYFSPD-TUUUFIMRSA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573351962 947622533 /nfs/dbraw/zinc/62/25/33/947622533.db2.gz YDSHPNNMCYFSPD-TUUUFIMRSA-N -1 1 370.417 0.555 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573358173 947659539 /nfs/dbraw/zinc/65/95/39/947659539.db2.gz HNDVSJVJATZNIZ-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573358173 947659551 /nfs/dbraw/zinc/65/95/51/947659551.db2.gz HNDVSJVJATZNIZ-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM Cc1ccc(S(=O)(=O)CCCn2c(N)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC000826292797 947849523 /nfs/dbraw/zinc/84/95/23/947849523.db2.gz MKDPFENNWXAKOU-UHFFFAOYSA-N -1 1 372.414 0.690 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000826382965 948180120 /nfs/dbraw/zinc/18/01/20/948180120.db2.gz CUAABFKQCWQBDT-UHFFFAOYSA-N -1 1 364.285 0.941 20 30 FCEDMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574678353 948745835 /nfs/dbraw/zinc/74/58/35/948745835.db2.gz DNPROHWLHRWQRY-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574678353 948745844 /nfs/dbraw/zinc/74/58/44/948745844.db2.gz DNPROHWLHRWQRY-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573792586 949254136 /nfs/dbraw/zinc/25/41/36/949254136.db2.gz BGKNXJWRSDHPQO-CYBMUJFWSA-N -1 1 368.445 0.921 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573793181 949287691 /nfs/dbraw/zinc/28/76/91/949287691.db2.gz NNBOFMCJKCUHRB-LBPRGKRZSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573793181 949287710 /nfs/dbraw/zinc/28/77/10/949287710.db2.gz NNBOFMCJKCUHRB-LBPRGKRZSA-N -1 1 354.418 0.791 20 30 FCEDMM N#Cc1ncc(N[C@H](CO)C[C@@H](O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001570957515 949893381 /nfs/dbraw/zinc/89/33/81/949893381.db2.gz VLBPXYZXXPGIAN-WCQYABFASA-N -1 1 352.358 0.425 20 30 FCEDMM N#Cc1nc(NCC[S@](=O)Cc2ccccc2)cnc1-c1nnn[n-]1 ZINC001570967489 950210017 /nfs/dbraw/zinc/21/00/17/950210017.db2.gz IHGIFJVUHKLQQM-VWLOTQADSA-N -1 1 354.399 0.889 20 30 FCEDMM N#Cc1nc(NCC[S@](=O)Cc2ccccc2)cnc1-c1nn[n-]n1 ZINC001570967489 950210026 /nfs/dbraw/zinc/21/00/26/950210026.db2.gz IHGIFJVUHKLQQM-VWLOTQADSA-N -1 1 354.399 0.889 20 30 FCEDMM CC(C)(C)OC(=O)N1CC2(CCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001573852748 950312113 /nfs/dbraw/zinc/31/21/13/950312113.db2.gz IVRMBAHGUQIKEY-UHFFFAOYSA-N -1 1 369.389 0.728 20 30 FCEDMM CC(C)(C)OC(=O)N1CC2(CCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001573853451 950320463 /nfs/dbraw/zinc/32/04/63/950320463.db2.gz PDOGYZGKUBFMSZ-UHFFFAOYSA-N -1 1 369.389 0.728 20 30 FCEDMM CC(C)(C)OC(=O)N1CC2(CCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001573853451 950320480 /nfs/dbraw/zinc/32/04/80/950320480.db2.gz PDOGYZGKUBFMSZ-UHFFFAOYSA-N -1 1 369.389 0.728 20 30 FCEDMM CS(=O)(=O)Cc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001570975854 950469943 /nfs/dbraw/zinc/46/99/43/950469943.db2.gz WZVZNRMDQQPGGD-UHFFFAOYSA-N -1 1 356.371 0.817 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC001570980464 950542111 /nfs/dbraw/zinc/54/21/11/950542111.db2.gz LENIPOIJZZESTL-LBPRGKRZSA-N -1 1 356.390 0.693 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC001570980464 950542128 /nfs/dbraw/zinc/54/21/28/950542128.db2.gz LENIPOIJZZESTL-LBPRGKRZSA-N -1 1 356.390 0.693 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214860 950682487 /nfs/dbraw/zinc/68/24/87/950682487.db2.gz CZANUDRBXZKRNG-CHWSQXEVSA-N -1 1 368.445 0.777 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cc[nH]n1 ZINC001590648278 950959787 /nfs/dbraw/zinc/95/97/87/950959787.db2.gz DSYFATJMCYLWQL-JTQLQIEISA-N -1 1 352.347 0.017 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008755 951201649 /nfs/dbraw/zinc/20/16/49/951201649.db2.gz FUDMHNZNZAAOAK-GXSJLCMTSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571008755 951201662 /nfs/dbraw/zinc/20/16/62/951201662.db2.gz FUDMHNZNZAAOAK-GXSJLCMTSA-N -1 1 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N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])[nH]1 ZINC001594617626 956252246 /nfs/dbraw/zinc/25/22/46/956252246.db2.gz HFIIGPFWXBFWMK-PSASIEDQSA-N -1 1 358.276 0.623 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1 ZINC001594617991 956257514 /nfs/dbraw/zinc/25/75/14/956257514.db2.gz WNLYSOOXIRVNGM-GXSJLCMTSA-N -1 1 370.287 0.690 20 30 FCEDMM N#Cc1cccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001594626012 956313969 /nfs/dbraw/zinc/31/39/69/956313969.db2.gz QSUJTRFTKNFKBG-ONGXEEELSA-N -1 1 370.287 0.690 20 30 FCEDMM C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001588504424 983547543 /nfs/dbraw/zinc/54/75/43/983547543.db2.gz ASLURMXPYQLPHX-ZDUSSCGKSA-N -1 1 359.382 0.112 20 30 FCEDMM C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC001588524148 983573640 /nfs/dbraw/zinc/57/36/40/983573640.db2.gz ARZRRIJKYZUBAS-HUUCEWRRSA-N -1 1 359.382 0.928 20 30 FCEDMM C=CCN1C(=O)c2ccc(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)cc2C1=O 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ZINC001573941634 1270949339 /nfs/dbraw/zinc/94/93/39/1270949339.db2.gz GPSDCRPOQUTXIQ-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573942495 1270949565 /nfs/dbraw/zinc/94/95/65/1270949565.db2.gz PHOYLQINKCWTNK-MJBXVCDLSA-N -1 1 366.429 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573942495 1270949570 /nfs/dbraw/zinc/94/95/70/1270949570.db2.gz PHOYLQINKCWTNK-MJBXVCDLSA-N -1 1 366.429 0.790 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573941722 1270949599 /nfs/dbraw/zinc/94/95/99/1270949599.db2.gz IMSLNXAWGSXSOU-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573941722 1270949605 /nfs/dbraw/zinc/94/96/05/1270949605.db2.gz IMSLNXAWGSXSOU-ZDUSSCGKSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573946617 1270953805 /nfs/dbraw/zinc/95/38/05/1270953805.db2.gz HAZPNMBHYWTZEB-XYYAHUGASA-N -1 1 352.402 0.115 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573946617 1270953807 /nfs/dbraw/zinc/95/38/07/1270953807.db2.gz HAZPNMBHYWTZEB-XYYAHUGASA-N -1 1 352.402 0.115 20 30 FCEDMM CC(C)OC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001574297474 1271173336 /nfs/dbraw/zinc/17/33/36/1271173336.db2.gz VWUNYOBCXCEZOD-UHFFFAOYSA-N -1 1 357.378 0.950 20 30 FCEDMM CC(C)OC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001574297474 1271173339 /nfs/dbraw/zinc/17/33/39/1271173339.db2.gz VWUNYOBCXCEZOD-UHFFFAOYSA-N -1 1 357.378 0.950 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574551873 1271342502 /nfs/dbraw/zinc/34/25/02/1271342502.db2.gz HKKIKVYWXYVKFY-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM C[C@@H](C[C@H](C)Nc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574551873 1271342512 /nfs/dbraw/zinc/34/25/12/1271342512.db2.gz HKKIKVYWXYVKFY-UWVGGRQHSA-N -1 1 366.389 0.865 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580653360 1278638045 /nfs/dbraw/zinc/63/80/45/1278638045.db2.gz XLBUBBVRNCCNPF-SNVBAGLBSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001580653360 1278638066 /nfs/dbraw/zinc/63/80/66/1278638066.db2.gz XLBUBBVRNCCNPF-SNVBAGLBSA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580661669 1278662796 /nfs/dbraw/zinc/66/27/96/1278662796.db2.gz DGACZLYXRFSPIX-CMPLNLGQSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580661669 1278662809 /nfs/dbraw/zinc/66/28/09/1278662809.db2.gz DGACZLYXRFSPIX-CMPLNLGQSA-N -1 1 369.433 0.846 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001580673256 1278691311 /nfs/dbraw/zinc/69/13/11/1278691311.db2.gz FNVFWGJDMLCOHZ-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001580673256 1278691326 /nfs/dbraw/zinc/69/13/26/1278691326.db2.gz FNVFWGJDMLCOHZ-UHFFFAOYSA-N -1 1 364.373 0.127 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684113 1278709704 /nfs/dbraw/zinc/70/97/04/1278709704.db2.gz BLUXACHDCMJTGY-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580684113 1278709713 /nfs/dbraw/zinc/70/97/13/1278709713.db2.gz BLUXACHDCMJTGY-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575827104 1272491868 /nfs/dbraw/zinc/49/18/68/1272491868.db2.gz NYDQFBZGHWPXCQ-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575827104 1272491875 /nfs/dbraw/zinc/49/18/75/1272491875.db2.gz NYDQFBZGHWPXCQ-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685605 1278711462 /nfs/dbraw/zinc/71/14/62/1278711462.db2.gz UPRUDILACLKDGF-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685605 1278711466 /nfs/dbraw/zinc/71/14/66/1278711466.db2.gz UPRUDILACLKDGF-ZJUUUORDSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC001580718547 1278790523 /nfs/dbraw/zinc/79/05/23/1278790523.db2.gz SDTBEPYQAGFDBL-JOYOIKCWSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC001580718547 1278790528 /nfs/dbraw/zinc/79/05/28/1278790528.db2.gz SDTBEPYQAGFDBL-JOYOIKCWSA-N -1 1 355.406 0.774 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580738703 1278837212 /nfs/dbraw/zinc/83/72/12/1278837212.db2.gz AGOVFFDTEMKLOE-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580738703 1278837215 /nfs/dbraw/zinc/83/72/15/1278837215.db2.gz AGOVFFDTEMKLOE-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580750715 1278865428 /nfs/dbraw/zinc/86/54/28/1278865428.db2.gz YZJDDBWLJZPTCA-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580750715 1278865436 /nfs/dbraw/zinc/86/54/36/1278865436.db2.gz YZJDDBWLJZPTCA-VIFPVBQESA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580758413 1278878357 /nfs/dbraw/zinc/87/83/57/1278878357.db2.gz NEPPDKHIBJTXEP-PHIMTYICSA-N -1 1 364.373 0.538 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580758413 1278878370 /nfs/dbraw/zinc/87/83/70/1278878370.db2.gz NEPPDKHIBJTXEP-PHIMTYICSA-N -1 1 364.373 0.538 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)n1 ZINC001580763549 1278887029 /nfs/dbraw/zinc/88/70/29/1278887029.db2.gz CZVQHGQRYMMDCB-VIFPVBQESA-N -1 1 365.361 0.023 20 30 FCEDMM CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccnc(-c2nn[n-]n2)n1 ZINC001578074805 1275378509 /nfs/dbraw/zinc/37/85/09/1275378509.db2.gz HEGOFPPZMAZDHP-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCOC(=O)C1([C@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCOCC1 ZINC001578243419 1275545270 /nfs/dbraw/zinc/54/52/70/1275545270.db2.gz XILXJEYGNUXRCY-JTQLQIEISA-N -1 1 372.389 0.689 20 30 FCEDMM CCOC(=O)C1([C@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCOCC1 ZINC001578243419 1275545274 /nfs/dbraw/zinc/54/52/74/1275545274.db2.gz XILXJEYGNUXRCY-JTQLQIEISA-N -1 1 372.389 0.689 20 30 FCEDMM CCO[C@@H]1C[C@@H](O)C12CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001578335501 1275684069 /nfs/dbraw/zinc/68/40/69/1275684069.db2.gz RNGIKALUKGRUPK-VXGBXAGGSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@@H]1C[C@@H](O)C12CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001578335501 1275684075 /nfs/dbraw/zinc/68/40/75/1275684075.db2.gz RNGIKALUKGRUPK-VXGBXAGGSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@H]1C[C@@H](O)C12CCN(c1cnc(C#N)c(-c3nn[n-]n3)n1)CC2 ZINC001578335502 1275685274 /nfs/dbraw/zinc/68/52/74/1275685274.db2.gz RNPSEJQQDWXUPJ-NEPJUHHUSA-N -1 1 356.390 0.285 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001578579994 1276012201 /nfs/dbraw/zinc/01/22/01/1276012201.db2.gz AXESQPDHGOTXEA-VXGBXAGGSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)n1 ZINC001578579994 1276012203 /nfs/dbraw/zinc/01/22/03/1276012203.db2.gz AXESQPDHGOTXEA-VXGBXAGGSA-N -1 1 369.433 0.711 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578583813 1276015771 /nfs/dbraw/zinc/01/57/71/1276015771.db2.gz HVNTUQVBYOQXFB-WDEREUQCSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)n1 ZINC001578583813 1276015779 /nfs/dbraw/zinc/01/57/79/1276015779.db2.gz HVNTUQVBYOQXFB-WDEREUQCSA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2CC)n1 ZINC001578594304 1276027807 /nfs/dbraw/zinc/02/78/07/1276027807.db2.gz DMQFIBQEGFEZNT-NTZNESFSSA-N -1 1 369.433 0.852 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H](C)C#N)[C@H]2CC)n1 ZINC001578594304 1276027813 /nfs/dbraw/zinc/02/78/13/1276027813.db2.gz DMQFIBQEGFEZNT-NTZNESFSSA-N -1 1 369.433 0.852 20 30 FCEDMM CCc1nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001578668125 1276120821 /nfs/dbraw/zinc/12/08/21/1276120821.db2.gz GHSCTVUBJHCPCH-IJLUTSLNSA-N -1 1 369.433 0.885 20 30 FCEDMM CCc1nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001578668125 1276120822 /nfs/dbraw/zinc/12/08/22/1276120822.db2.gz GHSCTVUBJHCPCH-IJLUTSLNSA-N -1 1 369.433 0.885 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001578676302 1276126267 /nfs/dbraw/zinc/12/62/67/1276126267.db2.gz VKQVYUVLTDFVBD-TXEJJXNPSA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C#CC(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001578676302 1276126270 /nfs/dbraw/zinc/12/62/70/1276126270.db2.gz VKQVYUVLTDFVBD-TXEJJXNPSA-N -1 1 354.418 0.938 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579143987 1276864063 /nfs/dbraw/zinc/86/40/63/1276864063.db2.gz CDKWBHATIARVHR-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579143987 1276864084 /nfs/dbraw/zinc/86/40/84/1276864084.db2.gz CDKWBHATIARVHR-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579147107 1276873536 /nfs/dbraw/zinc/87/35/36/1276873536.db2.gz XFEKPCRJRNEIKT-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1ccc(C#N)[nH]1 ZINC001579147107 1276873555 /nfs/dbraw/zinc/87/35/55/1276873555.db2.gz XFEKPCRJRNEIKT-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001579158102 1276902998 /nfs/dbraw/zinc/90/29/98/1276902998.db2.gz DKTJVTJSIDHCEY-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579158102 1276903004 /nfs/dbraw/zinc/90/30/04/1276903004.db2.gz DKTJVTJSIDHCEY-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579253055 1277050605 /nfs/dbraw/zinc/05/06/05/1277050605.db2.gz FABDTYMTHRNCAG-UHFFFAOYSA-N -1 1 370.398 0.568 20 30 FCEDMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579253055 1277050607 /nfs/dbraw/zinc/05/06/07/1277050607.db2.gz FABDTYMTHRNCAG-UHFFFAOYSA-N -1 1 370.398 0.568 20 30 FCEDMM CN(Cc1ccc([S@@](C)=O)cc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579253322 1277051646 /nfs/dbraw/zinc/05/16/46/1277051646.db2.gz MPAUPCOIUNTLSJ-RUZDIDTESA-N -1 1 354.399 0.902 20 30 FCEDMM CN(Cc1ccc([S@@](C)=O)cc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579253322 1277051652 /nfs/dbraw/zinc/05/16/52/1277051652.db2.gz MPAUPCOIUNTLSJ-RUZDIDTESA-N -1 1 354.399 0.902 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579298194 1277125858 /nfs/dbraw/zinc/12/58/58/1277125858.db2.gz GVGDIVRFDCGUHR-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579298194 1277125860 /nfs/dbraw/zinc/12/58/60/1277125860.db2.gz GVGDIVRFDCGUHR-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CNC(=O)COc1cccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001579398558 1277282613 /nfs/dbraw/zinc/28/26/13/1277282613.db2.gz OFZNXDDSBPJWMA-UHFFFAOYSA-N -1 1 352.314 0.445 20 30 FCEDMM COC(=O)[C@@H](CNc1cnc(C#N)c(-c2nn[n-]n2)n1)Oc1ccccc1 ZINC001579465852 1277360708 /nfs/dbraw/zinc/36/07/08/1277360708.db2.gz NBEDXUPXUVYSKJ-GFCCVEGCSA-N -1 1 366.341 0.561 20 30 FCEDMM COCc1ccc([C@@H]2COCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)o1 ZINC001579831156 1277926535 /nfs/dbraw/zinc/92/65/35/1277926535.db2.gz BRPQTNQHYIHWMA-LBPRGKRZSA-N -1 1 368.357 0.846 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189966 1287325893 /nfs/dbraw/zinc/32/58/93/1287325893.db2.gz SQUTVLFHQROXLU-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189966 1287325898 /nfs/dbraw/zinc/32/58/98/1287325898.db2.gz SQUTVLFHQROXLU-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001603189593 1287326133 /nfs/dbraw/zinc/32/61/33/1287326133.db2.gz POECAFGZWOOENR-STQMWFEESA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001603189593 1287326144 /nfs/dbraw/zinc/32/61/44/1287326144.db2.gz POECAFGZWOOENR-STQMWFEESA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)[C@@H](CNC(=O)CSCC#N)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603214767 1287331953 /nfs/dbraw/zinc/33/19/53/1287331953.db2.gz DDQHXXBBUHYBCX-SNVBAGLBSA-N -1 1 361.435 0.466 20 30 FCEDMM CC(C)[C@@H](CNC(=O)CSCC#N)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603214767 1287331956 /nfs/dbraw/zinc/33/19/56/1287331956.db2.gz DDQHXXBBUHYBCX-SNVBAGLBSA-N -1 1 361.435 0.466 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603219501 1287335105 /nfs/dbraw/zinc/33/51/05/1287335105.db2.gz IPVFOSXYUWWIGT-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603219501 1287335111 /nfs/dbraw/zinc/33/51/11/1287335111.db2.gz IPVFOSXYUWWIGT-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM Cc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1C#N ZINC001581200696 1279499704 /nfs/dbraw/zinc/49/97/04/1279499704.db2.gz UVDFSDAXGOXYAV-UHFFFAOYSA-N -1 1 352.358 0.056 20 30 FCEDMM Cc1cccc(C)c1OC[C@@H](O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581235216 1279520822 /nfs/dbraw/zinc/52/08/22/1279520822.db2.gz UHYUKFSIAISTMW-LBPRGKRZSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1cccc(C)c1OC[C@@H](O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581235216 1279520826 /nfs/dbraw/zinc/52/08/26/1279520826.db2.gz UHYUKFSIAISTMW-LBPRGKRZSA-N -1 1 366.385 0.997 20 30 FCEDMM Cc1ccccc1[C@H]1C(=O)NCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581256568 1279531698 /nfs/dbraw/zinc/53/16/98/1279531698.db2.gz IPXRDIVQHVUYSE-HNNXBMFYSA-N -1 1 361.369 0.514 20 30 FCEDMM Cc1nsc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1-c1nn[n-]n1 ZINC001581673005 1280381468 /nfs/dbraw/zinc/38/14/68/1280381468.db2.gz UOUATOWKKVSQQN-JTQLQIEISA-N -1 1 369.414 0.840 20 30 FCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3c(C#N)c(N)sc3C2)n1 ZINC001581754250 1280459476 /nfs/dbraw/zinc/45/94/76/1280459476.db2.gz MKOUQNPBOJBZEH-UHFFFAOYSA-N -1 1 370.402 0.706 20 30 FCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3c(C#N)c(N)sc3C2)n1 ZINC001581754250 1280459480 /nfs/dbraw/zinc/45/94/80/1280459480.db2.gz MKOUQNPBOJBZEH-UHFFFAOYSA-N -1 1 370.402 0.706 20 30 FCEDMM N#CCSCC(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001581858757 1280610182 /nfs/dbraw/zinc/61/01/82/1280610182.db2.gz UPZHYXMDEFOIPM-UHFFFAOYSA-N -1 1 373.446 0.612 20 30 FCEDMM N#CCSCC(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001581858757 1280610195 /nfs/dbraw/zinc/61/01/95/1280610195.db2.gz UPZHYXMDEFOIPM-UHFFFAOYSA-N -1 1 373.446 0.612 20 30 FCEDMM N#C[C@]12CN(Cc3csc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001581859993 1280610561 /nfs/dbraw/zinc/61/05/61/1280610561.db2.gz GOOQEUNJZDVUCU-GXFFZTMASA-N -1 1 350.429 0.298 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCCN2Cc2ccccn2)nc1-c1nn[nH]n1 ZINC001581860255 1280612968 /nfs/dbraw/zinc/61/29/68/1280612968.db2.gz RSDZRUHLDVCNKS-GFCCVEGCSA-N -1 1 364.373 0.460 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1C[C@@H](O)c1cc(Br)no1 ZINC001581860605 1280613801 /nfs/dbraw/zinc/61/38/01/1280613801.db2.gz JKICLSBYCWCNPO-ZCFIWIBFSA-N -1 1 351.124 0.419 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2csc(Br)n2)nc1-c1nn[nH]n1 ZINC001581860704 1280613993 /nfs/dbraw/zinc/61/39/93/1280613993.db2.gz OYYSDNANWDWEDR-UHFFFAOYSA-N -1 1 366.164 0.933 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc(=O)[nH]c3c2CCCC3)nc1-c1nn[nH]n1 ZINC001581860868 1280614740 /nfs/dbraw/zinc/61/47/40/1280614740.db2.gz XEPQBVXMYSWOJT-UHFFFAOYSA-N -1 1 351.330 0.693 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864347 1280616143 /nfs/dbraw/zinc/61/61/43/1280616143.db2.gz RVCHCPVFJCMLBC-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864347 1280616147 /nfs/dbraw/zinc/61/61/47/1280616147.db2.gz RVCHCPVFJCMLBC-JTQLQIEISA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccn1 ZINC001581866751 1280621542 /nfs/dbraw/zinc/62/15/42/1280621542.db2.gz SWHXPBYWRSITRL-UHFFFAOYSA-N -1 1 359.346 0.751 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)[nH]1 ZINC001581868181 1280625809 /nfs/dbraw/zinc/62/58/09/1280625809.db2.gz LZGFPRZQPNXBKC-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)[nH]1 ZINC001581868181 1280625816 /nfs/dbraw/zinc/62/58/16/1280625816.db2.gz LZGFPRZQPNXBKC-LBPRGKRZSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccnc1-c1nn[n-]n1)C2 ZINC001581874612 1280628993 /nfs/dbraw/zinc/62/89/93/1280628993.db2.gz ZCPALOVXXNKBDY-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001581875920 1280630981 /nfs/dbraw/zinc/63/09/81/1280630981.db2.gz XKFJVZOXKLHOLS-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001581875920 1280630989 /nfs/dbraw/zinc/63/09/89/1280630989.db2.gz XKFJVZOXKLHOLS-UHFFFAOYSA-N -1 1 353.367 0.838 20 30 FCEDMM N#Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)cnc1-c1nnn[n-]1 ZINC001581878360 1280635645 /nfs/dbraw/zinc/63/56/45/1280635645.db2.gz HTAKUVRVACDZIJ-UHFFFAOYSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)cnc1-c1nn[n-]n1 ZINC001581878360 1280635655 /nfs/dbraw/zinc/63/56/55/1280635655.db2.gz HTAKUVRVACDZIJ-UHFFFAOYSA-N -1 1 358.369 0.985 20 30 FCEDMM N#Cc1nc(NCC(=O)N2CCc3ccccc3C2)cnc1-c1nnn[n-]1 ZINC001581880253 1280638763 /nfs/dbraw/zinc/63/87/63/1280638763.db2.gz DTIMOTMLTHFHKJ-UHFFFAOYSA-N -1 1 361.369 0.525 20 30 FCEDMM N#Cc1nc(NCC(=O)N2CCc3ccccc3C2)cnc1-c1nn[n-]n1 ZINC001581880253 1280638767 /nfs/dbraw/zinc/63/87/67/1280638767.db2.gz DTIMOTMLTHFHKJ-UHFFFAOYSA-N -1 1 361.369 0.525 20 30 FCEDMM N#Cc1ncc(N2CCC[C@@H]2C(=O)NCc2ccco2)nc1-c1nn[n-]n1 ZINC001581881923 1280640587 /nfs/dbraw/zinc/64/05/87/1280640587.db2.gz FKJDOLSJOKCPLM-GFCCVEGCSA-N -1 1 365.357 0.407 20 30 FCEDMM N#Cc1ncc(NC[C@@H](n2cccn2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581883335 1280646344 /nfs/dbraw/zinc/64/63/44/1280646344.db2.gz WQPADIFLCJDTCM-MRVPVSSYSA-N -1 1 350.268 0.940 20 30 FCEDMM N#Cc1ncc(N[C@H]2CS(=O)(=O)Cc3ccccc32)nc1-c1nn[n-]n1 ZINC001581883212 1280648363 /nfs/dbraw/zinc/64/83/63/1280648363.db2.gz RNMYAXLMWXKXDT-LBPRGKRZSA-N -1 1 368.382 0.610 20 30 FCEDMM N#Cc1ncn(C[C@H](O)c2cc(Br)no2)c1-c1nn[n-]n1 ZINC001581885964 1280655784 /nfs/dbraw/zinc/65/57/84/1280655784.db2.gz SOZOZHOIJZFFBG-LURJTMIESA-N -1 1 351.124 0.419 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581912567 1280715382 /nfs/dbraw/zinc/71/53/82/1280715382.db2.gz PSKDAPLDJKTQOB-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581912567 1280715385 /nfs/dbraw/zinc/71/53/85/1280715385.db2.gz PSKDAPLDJKTQOB-CHWSQXEVSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603637356 1287452595 /nfs/dbraw/zinc/45/25/95/1287452595.db2.gz AYQVXBACCDPAKY-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603637356 1287452598 /nfs/dbraw/zinc/45/25/98/1287452598.db2.gz AYQVXBACCDPAKY-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001603726424 1287480084 /nfs/dbraw/zinc/48/00/84/1287480084.db2.gz IYZCWINEMAPYTP-VIFPVBQESA-N -1 1 369.364 0.876 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588336130 1282428483 /nfs/dbraw/zinc/42/84/83/1282428483.db2.gz IHIWBIIIQWBPFI-ZDUSSCGKSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CC[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001588337555 1282430259 /nfs/dbraw/zinc/43/02/59/1282430259.db2.gz RXWGOMRLWRZRQZ-JTQLQIEISA-N -1 1 362.371 0.809 20 30 FCEDMM C#CCC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001588337142 1282430278 /nfs/dbraw/zinc/43/02/78/1282430278.db2.gz KBPPFHBTDHAFBV-VIFPVBQESA-N -1 1 355.807 0.573 20 30 FCEDMM C#CCC[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001588337142 1282430281 /nfs/dbraw/zinc/43/02/81/1282430281.db2.gz KBPPFHBTDHAFBV-VIFPVBQESA-N -1 1 355.807 0.573 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338164 1282430616 /nfs/dbraw/zinc/43/06/16/1282430616.db2.gz AFYJKZFBJHZBIM-ZIAGYGMSSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588338663 1282433134 /nfs/dbraw/zinc/43/31/34/1282433134.db2.gz NTJSIGZSPPFHLV-OLZOCXBDSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588339070 1282433269 /nfs/dbraw/zinc/43/32/69/1282433269.db2.gz UXKLDXTWIVSPOR-UHFFFAOYSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCC(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588339070 1282433272 /nfs/dbraw/zinc/43/32/72/1282433272.db2.gz UXKLDXTWIVSPOR-UHFFFAOYSA-N -1 1 354.418 0.854 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001588339241 1282433443 /nfs/dbraw/zinc/43/34/43/1282433443.db2.gz WULDSNSTEHAGMF-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001588339241 1282433449 /nfs/dbraw/zinc/43/34/49/1282433449.db2.gz WULDSNSTEHAGMF-MJBXVCDLSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1OC ZINC001588342931 1282440717 /nfs/dbraw/zinc/44/07/17/1282440717.db2.gz VTMZDWPLBYJNJF-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1OC ZINC001588342931 1282440730 /nfs/dbraw/zinc/44/07/30/1282440730.db2.gz VTMZDWPLBYJNJF-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCN(C(=O)CCOC)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588348312 1282443080 /nfs/dbraw/zinc/44/30/80/1282443080.db2.gz PQWDDZPSSKASMR-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588356469 1282459068 /nfs/dbraw/zinc/45/90/68/1282459068.db2.gz CDAGSVHNBCYGCN-YPMHNXCESA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588356469 1282459080 /nfs/dbraw/zinc/45/90/80/1282459080.db2.gz CDAGSVHNBCYGCN-YPMHNXCESA-N -1 1 358.406 0.248 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588356424 1282459537 /nfs/dbraw/zinc/45/95/37/1282459537.db2.gz XJEYCEBSLHPPFY-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356912 1282462599 /nfs/dbraw/zinc/46/25/99/1282462599.db2.gz HRJDCDPHFJVPDX-FRRDWIJNSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356912 1282462605 /nfs/dbraw/zinc/46/26/05/1282462605.db2.gz HRJDCDPHFJVPDX-FRRDWIJNSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588357061 1282462653 /nfs/dbraw/zinc/46/26/53/1282462653.db2.gz JAMPRNOIPKWSFU-GFCCVEGCSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588357061 1282462660 /nfs/dbraw/zinc/46/26/60/1282462660.db2.gz JAMPRNOIPKWSFU-GFCCVEGCSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cncc(-c2nnn[n-]2)n1 ZINC001588358177 1282469011 /nfs/dbraw/zinc/46/90/11/1282469011.db2.gz UOZKYLNFEKRFMN-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cncc(-c2nn[n-]n2)n1 ZINC001588358177 1282469017 /nfs/dbraw/zinc/46/90/17/1282469017.db2.gz UOZKYLNFEKRFMN-LBPRGKRZSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358315 1282469094 /nfs/dbraw/zinc/46/90/94/1282469094.db2.gz QRHNIKBLJMGEAH-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358315 1282469098 /nfs/dbraw/zinc/46/90/98/1282469098.db2.gz QRHNIKBLJMGEAH-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588359224 1282472684 /nfs/dbraw/zinc/47/26/84/1282472684.db2.gz ZPRGKFJGRIKOET-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588359224 1282472689 /nfs/dbraw/zinc/47/26/89/1282472689.db2.gz ZPRGKFJGRIKOET-WCQYABFASA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001588358950 1282472877 /nfs/dbraw/zinc/47/28/77/1282472877.db2.gz DNURUMDFZHCCHY-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001588358950 1282472891 /nfs/dbraw/zinc/47/28/91/1282472891.db2.gz DNURUMDFZHCCHY-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588359414 1282473971 /nfs/dbraw/zinc/47/39/71/1282473971.db2.gz NTHZXQGOTVDAIW-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588359414 1282473977 /nfs/dbraw/zinc/47/39/77/1282473977.db2.gz NTHZXQGOTVDAIW-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588359488 1282474697 /nfs/dbraw/zinc/47/46/97/1282474697.db2.gz PYYIPGUJRQYJLT-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588359488 1282474700 /nfs/dbraw/zinc/47/47/00/1282474700.db2.gz PYYIPGUJRQYJLT-QGZVFWFLSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001588361322 1282481779 /nfs/dbraw/zinc/48/17/79/1282481779.db2.gz JXVYHHFMEKIQTD-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001588361322 1282481786 /nfs/dbraw/zinc/48/17/86/1282481786.db2.gz JXVYHHFMEKIQTD-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588361144 1282483136 /nfs/dbraw/zinc/48/31/36/1282483136.db2.gz FMNLFVUZQOLTRS-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588361144 1282483141 /nfs/dbraw/zinc/48/31/41/1282483141.db2.gz FMNLFVUZQOLTRS-ZDUSSCGKSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588361318 1282483361 /nfs/dbraw/zinc/48/33/61/1282483361.db2.gz JVYTWACCEBGWEU-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588361527 1282484393 /nfs/dbraw/zinc/48/43/93/1282484393.db2.gz OVWRFMIFVBDEQR-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588361527 1282484400 /nfs/dbraw/zinc/48/44/00/1282484400.db2.gz OVWRFMIFVBDEQR-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588362780 1282489694 /nfs/dbraw/zinc/48/96/94/1282489694.db2.gz SSZICKZSNQMXMW-JOCQHMNTSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588362780 1282489698 /nfs/dbraw/zinc/48/96/98/1282489698.db2.gz SSZICKZSNQMXMW-JOCQHMNTSA-N -1 1 370.417 0.536 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001588364649 1282491013 /nfs/dbraw/zinc/49/10/13/1282491013.db2.gz JZPLHSQZCPFZCW-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001588364649 1282491017 /nfs/dbraw/zinc/49/10/17/1282491017.db2.gz JZPLHSQZCPFZCW-UHFFFAOYSA-N -1 1 360.381 0.600 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001588364434 1282491391 /nfs/dbraw/zinc/49/13/91/1282491391.db2.gz FIGZBQXEFYVYCD-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001588364434 1282491396 /nfs/dbraw/zinc/49/13/96/1282491396.db2.gz FIGZBQXEFYVYCD-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364489 1282492198 /nfs/dbraw/zinc/49/21/98/1282492198.db2.gz HERPAVOSNWMOIK-NWDGAFQWSA-N -1 1 362.397 0.679 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588368209 1282493456 /nfs/dbraw/zinc/49/34/56/1282493456.db2.gz RJADQEZXSNWMEI-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588368209 1282493459 /nfs/dbraw/zinc/49/34/59/1282493459.db2.gz RJADQEZXSNWMEI-GFCCVEGCSA-N -1 1 362.397 0.893 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001588370245 1282493579 /nfs/dbraw/zinc/49/35/79/1282493579.db2.gz VOWXCVMPCLBZMM-CQSZACIVSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001588370245 1282493584 /nfs/dbraw/zinc/49/35/84/1282493584.db2.gz VOWXCVMPCLBZMM-CQSZACIVSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001588369919 1282493940 /nfs/dbraw/zinc/49/39/40/1282493940.db2.gz AYUQNUUVBWECPA-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001588369919 1282493946 /nfs/dbraw/zinc/49/39/46/1282493946.db2.gz AYUQNUUVBWECPA-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001588380810 1282495848 /nfs/dbraw/zinc/49/58/48/1282495848.db2.gz MOFQZXUFMMITEP-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001588380810 1282495850 /nfs/dbraw/zinc/49/58/50/1282495850.db2.gz MOFQZXUFMMITEP-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001588380663 1282496020 /nfs/dbraw/zinc/49/60/20/1282496020.db2.gz KKJFZSZBSMQLHH-ZDUSSCGKSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001588380663 1282496027 /nfs/dbraw/zinc/49/60/27/1282496027.db2.gz KKJFZSZBSMQLHH-ZDUSSCGKSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001588380445 1282496313 /nfs/dbraw/zinc/49/63/13/1282496313.db2.gz FMYPPYQSNRJZGG-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001588380445 1282496321 /nfs/dbraw/zinc/49/63/21/1282496321.db2.gz FMYPPYQSNRJZGG-CYBMUJFWSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381012 1282497991 /nfs/dbraw/zinc/49/79/91/1282497991.db2.gz REKSPZJLHAMWHV-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381012 1282497998 /nfs/dbraw/zinc/49/79/98/1282497998.db2.gz REKSPZJLHAMWHV-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001588381258 1282498045 /nfs/dbraw/zinc/49/80/45/1282498045.db2.gz WHVBSDFKAFPPHW-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001588419607 1282504012 /nfs/dbraw/zinc/50/40/12/1282504012.db2.gz PVNNWKOOHZQMSY-CHWSQXEVSA-N -1 1 358.406 0.333 20 30 FCEDMM C=C(C)CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001588419607 1282504018 /nfs/dbraw/zinc/50/40/18/1282504018.db2.gz PVNNWKOOHZQMSY-CHWSQXEVSA-N -1 1 358.406 0.333 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cncc(-c2nnn[n-]2)n1 ZINC001588443115 1282508731 /nfs/dbraw/zinc/50/87/31/1282508731.db2.gz NFMQUCCZSIFVBL-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cncc(-c2nn[n-]n2)n1 ZINC001588443115 1282508738 /nfs/dbraw/zinc/50/87/38/1282508738.db2.gz NFMQUCCZSIFVBL-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588475217 1282515434 /nfs/dbraw/zinc/51/54/34/1282515434.db2.gz KKGVIUQHQIJUNN-GFCCVEGCSA-N -1 1 372.433 0.320 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nnn[n-]4)nc(CC)n3)C[C@H]21 ZINC001588480776 1282516978 /nfs/dbraw/zinc/51/69/78/1282516978.db2.gz DOSCEACREUYMJI-HBYGRHMLSA-N -1 1 368.445 0.982 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cc(-c4nn[n-]n4)nc(CC)n3)C[C@H]21 ZINC001588480776 1282516988 /nfs/dbraw/zinc/51/69/88/1282516988.db2.gz DOSCEACREUYMJI-HBYGRHMLSA-N -1 1 368.445 0.982 20 30 FCEDMM C=CC(C)(C)C(=O)NCCOCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588477890 1282517133 /nfs/dbraw/zinc/51/71/33/1282517133.db2.gz JUSVRKXJCCUOCE-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCOCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588477890 1282517140 /nfs/dbraw/zinc/51/71/40/1282517140.db2.gz JUSVRKXJCCUOCE-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588488218 1282518838 /nfs/dbraw/zinc/51/88/38/1282518838.db2.gz GADNQSRKYRLPEW-SJCJKPOMSA-N -1 1 374.449 0.515 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588488218 1282518848 /nfs/dbraw/zinc/51/88/48/1282518848.db2.gz GADNQSRKYRLPEW-SJCJKPOMSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001588482231 1282519208 /nfs/dbraw/zinc/51/92/08/1282519208.db2.gz SUEDQQHEGWOHIG-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001588482231 1282519217 /nfs/dbraw/zinc/51/92/17/1282519217.db2.gz SUEDQQHEGWOHIG-LBPRGKRZSA-N -1 1 374.449 0.515 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001588487850 1282520326 /nfs/dbraw/zinc/52/03/26/1282520326.db2.gz VOVIMBVFJURYSC-OLZOCXBDSA-N -1 1 372.433 0.233 20 30 FCEDMM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001588487850 1282520342 /nfs/dbraw/zinc/52/03/42/1282520342.db2.gz VOVIMBVFJURYSC-OLZOCXBDSA-N -1 1 372.433 0.233 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001588495283 1282523281 /nfs/dbraw/zinc/52/32/81/1282523281.db2.gz AXVLQLQINIORML-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001588495283 1282523291 /nfs/dbraw/zinc/52/32/91/1282523291.db2.gz AXVLQLQINIORML-BDJLRTHQSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588496065 1282526643 /nfs/dbraw/zinc/52/66/43/1282526643.db2.gz MAAVQBRHOAGGOP-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588496065 1282526653 /nfs/dbraw/zinc/52/66/53/1282526653.db2.gz MAAVQBRHOAGGOP-PXAZEXFGSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588495479 1282527065 /nfs/dbraw/zinc/52/70/65/1282527065.db2.gz FVCLRIMRHSKCME-QGZVFWFLSA-N -1 1 374.449 0.780 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588495479 1282527072 /nfs/dbraw/zinc/52/70/72/1282527072.db2.gz FVCLRIMRHSKCME-QGZVFWFLSA-N -1 1 374.449 0.780 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588496560 1282527312 /nfs/dbraw/zinc/52/73/12/1282527312.db2.gz SDUQDBJLUNSRIV-ZBEGNZNMSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588496560 1282527319 /nfs/dbraw/zinc/52/73/19/1282527319.db2.gz SDUQDBJLUNSRIV-ZBEGNZNMSA-N -1 1 360.422 0.802 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588499428 1282528687 /nfs/dbraw/zinc/52/86/87/1282528687.db2.gz IIKRWGYGVMFHFQ-KRWDZBQOSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588499428 1282528698 /nfs/dbraw/zinc/52/86/98/1282528698.db2.gz IIKRWGYGVMFHFQ-KRWDZBQOSA-N -1 1 374.449 0.577 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588500217 1282532874 /nfs/dbraw/zinc/53/28/74/1282532874.db2.gz STGXUONARMSAOB-KRWDZBQOSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)CCCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588500217 1282532884 /nfs/dbraw/zinc/53/28/84/1282532884.db2.gz STGXUONARMSAOB-KRWDZBQOSA-N -1 1 374.449 0.807 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588501057 1282534318 /nfs/dbraw/zinc/53/43/18/1282534318.db2.gz ISGQZLRLIDEOGZ-YVEFUNNKSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588501057 1282534327 /nfs/dbraw/zinc/53/43/27/1282534327.db2.gz ISGQZLRLIDEOGZ-YVEFUNNKSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588501125 1282535776 /nfs/dbraw/zinc/53/57/76/1282535776.db2.gz JUGUPUUYBFKGQE-IAGOWNOFSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588501125 1282535789 /nfs/dbraw/zinc/53/57/89/1282535789.db2.gz JUGUPUUYBFKGQE-IAGOWNOFSA-N -1 1 372.433 0.681 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588501932 1282536536 /nfs/dbraw/zinc/53/65/36/1282536536.db2.gz PMZADIMTGJIROG-SJKOYZFVSA-N -1 1 372.433 0.199 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588502193 1282536870 /nfs/dbraw/zinc/53/68/70/1282536870.db2.gz ROWXYRCFAQMUSR-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588502193 1282536879 /nfs/dbraw/zinc/53/68/79/1282536879.db2.gz ROWXYRCFAQMUSR-MRXNPFEDSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588501744 1282538671 /nfs/dbraw/zinc/53/86/71/1282538671.db2.gz OGCINFGVOWPUGV-MGPLVRAMSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588501744 1282538685 /nfs/dbraw/zinc/53/86/85/1282538685.db2.gz OGCINFGVOWPUGV-MGPLVRAMSA-N -1 1 360.422 0.463 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588503512 1282539459 /nfs/dbraw/zinc/53/94/59/1282539459.db2.gz ZKEOQUITACALBJ-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588503512 1282539468 /nfs/dbraw/zinc/53/94/68/1282539468.db2.gz ZKEOQUITACALBJ-SJKOYZFVSA-N -1 1 374.449 0.927 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001588503742 1282542787 /nfs/dbraw/zinc/54/27/87/1282542787.db2.gz DXTJYSIVRSOHHV-MEDUHNTESA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001588503742 1282542795 /nfs/dbraw/zinc/54/27/95/1282542795.db2.gz DXTJYSIVRSOHHV-MEDUHNTESA-N -1 1 360.422 0.537 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001588505386 1282546460 /nfs/dbraw/zinc/54/64/60/1282546460.db2.gz PUYQRWMLLYJAJR-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001588505386 1282546472 /nfs/dbraw/zinc/54/64/72/1282546472.db2.gz PUYQRWMLLYJAJR-PSTGCABASA-N -1 1 372.433 0.823 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588504932 1282546513 /nfs/dbraw/zinc/54/65/13/1282546513.db2.gz MYIIVIKZMRXIQV-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588504932 1282546524 /nfs/dbraw/zinc/54/65/24/1282546524.db2.gz MYIIVIKZMRXIQV-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588505899 1282549384 /nfs/dbraw/zinc/54/93/84/1282549384.db2.gz ZHOVECWGKAIQBM-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588505899 1282549392 /nfs/dbraw/zinc/54/93/92/1282549392.db2.gz ZHOVECWGKAIQBM-YVEFUNNKSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001588526453 1282558650 /nfs/dbraw/zinc/55/86/50/1282558650.db2.gz WRAZJFCPJVFZJV-YMEQNVIZSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001588526453 1282558658 /nfs/dbraw/zinc/55/86/58/1282558658.db2.gz WRAZJFCPJVFZJV-YMEQNVIZSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588525753 1282558674 /nfs/dbraw/zinc/55/86/74/1282558674.db2.gz KFLUVFQWTJSRIC-SECBINFHSA-N -1 1 362.394 0.074 20 30 FCEDMM C=C[C@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588525753 1282558685 /nfs/dbraw/zinc/55/86/85/1282558685.db2.gz KFLUVFQWTJSRIC-SECBINFHSA-N -1 1 362.394 0.074 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588524511 1282558885 /nfs/dbraw/zinc/55/88/85/1282558885.db2.gz RBTALDWAGPWGNO-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588524511 1282558895 /nfs/dbraw/zinc/55/88/95/1282558895.db2.gz RBTALDWAGPWGNO-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588531488 1282562080 /nfs/dbraw/zinc/56/20/80/1282562080.db2.gz CWSUXUXREVDEIC-NWDGAFQWSA-N -1 1 356.434 0.940 20 30 FCEDMM C=CCC1(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001588549196 1282565101 /nfs/dbraw/zinc/56/51/01/1282565101.db2.gz KUVAWEKNNGJNDD-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCC1(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001588549196 1282565113 /nfs/dbraw/zinc/56/51/13/1282565113.db2.gz KUVAWEKNNGJNDD-UHFFFAOYSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCC1(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001588553239 1282565984 /nfs/dbraw/zinc/56/59/84/1282565984.db2.gz KHWHQXATGHSDDI-GFCCVEGCSA-N -1 1 372.433 0.104 20 30 FCEDMM C=CCC1(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001588552739 1282566861 /nfs/dbraw/zinc/56/68/61/1282566861.db2.gz BRIHUPHBCGOZLH-UHFFFAOYSA-N -1 1 373.417 0.772 20 30 FCEDMM C=CCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001588570433 1282568928 /nfs/dbraw/zinc/56/89/28/1282568928.db2.gz MDXXYIQASUSKRJ-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588570433 1282568937 /nfs/dbraw/zinc/56/89/37/1282568937.db2.gz MDXXYIQASUSKRJ-UHFFFAOYSA-N -1 1 358.406 0.700 20 30 FCEDMM C=CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001588587521 1282575303 /nfs/dbraw/zinc/57/53/03/1282575303.db2.gz WZTFKWBKEMYFLK-KRWDZBQOSA-N -1 1 372.433 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ZINC001588608392 1282584723 /nfs/dbraw/zinc/58/47/23/1282584723.db2.gz LNAWWIQSLMREPI-NEPJUHHUSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588609143 1282585266 /nfs/dbraw/zinc/58/52/66/1282585266.db2.gz ULKQMRUSZBGHBI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588609143 1282585271 /nfs/dbraw/zinc/58/52/71/1282585271.db2.gz ULKQMRUSZBGHBI-CHWSQXEVSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588608931 1282585318 /nfs/dbraw/zinc/58/53/18/1282585318.db2.gz SCYIWRVROZTIGK-QWHCGFSZSA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588609441 1282587316 /nfs/dbraw/zinc/58/73/16/1282587316.db2.gz XETIXCGYSBXDGU-STQMWFEESA-N -1 1 372.433 0.675 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588609450 1282587466 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FCEDMM C=CCCOCC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588617350 1282599614 /nfs/dbraw/zinc/59/96/14/1282599614.db2.gz UZRLPBMAOMPQNE-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588617350 1282599629 /nfs/dbraw/zinc/59/96/29/1282599629.db2.gz UZRLPBMAOMPQNE-ZDUSSCGKSA-N -1 1 372.433 0.900 20 30 FCEDMM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588628351 1282602381 /nfs/dbraw/zinc/60/23/81/1282602381.db2.gz VNCPSKSKFSPPGK-UHFFFAOYSA-N -1 1 357.417 0.668 20 30 FCEDMM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588628351 1282602404 /nfs/dbraw/zinc/60/24/04/1282602404.db2.gz VNCPSKSKFSPPGK-UHFFFAOYSA-N -1 1 357.417 0.668 20 30 FCEDMM C=CCN(Cc1ccccc1F)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588653496 1282603959 /nfs/dbraw/zinc/60/39/59/1282603959.db2.gz JFHSIOMCBXQVEG-UHFFFAOYSA-N -1 1 371.380 0.995 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588666231 1282618548 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357.378 0.828 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001589380024 1282853177 /nfs/dbraw/zinc/85/31/77/1282853177.db2.gz JKNNMTIEXDNNHS-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001589380024 1282853184 /nfs/dbraw/zinc/85/31/84/1282853184.db2.gz JKNNMTIEXDNNHS-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385256 1282859746 /nfs/dbraw/zinc/85/97/46/1282859746.db2.gz YCFARMOYFYWKOS-CQSZACIVSA-N -1 1 368.445 0.921 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001589387048 1282862673 /nfs/dbraw/zinc/86/26/73/1282862673.db2.gz GJUNHOKRMYKOHJ-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001589387048 1282862684 /nfs/dbraw/zinc/86/26/84/1282862684.db2.gz GJUNHOKRMYKOHJ-QWHCGFSZSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589387662 1282863099 /nfs/dbraw/zinc/86/30/99/1282863099.db2.gz NUNSCLQDDDOXCX-UHFFFAOYSA-N -1 1 352.402 0.569 20 30 FCEDMM CC(C)C#CC(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589387662 1282863108 /nfs/dbraw/zinc/86/31/08/1282863108.db2.gz NUNSCLQDDDOXCX-UHFFFAOYSA-N -1 1 352.402 0.569 20 30 FCEDMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985215 1283155246 /nfs/dbraw/zinc/15/52/46/1283155246.db2.gz FFTHXUMENHYHJT-GXTWGEPZSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001589985217 1283155624 /nfs/dbraw/zinc/15/56/24/1283155624.db2.gz FFTHXUMENHYHJT-OCCSQVGLSA-N -1 1 366.429 0.531 20 30 FCEDMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001589985506 1283156569 /nfs/dbraw/zinc/15/65/69/1283156569.db2.gz KLMYWASNOASVLA-STQMWFEESA-N -1 1 368.445 0.777 20 30 FCEDMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987144 1283156984 /nfs/dbraw/zinc/15/69/84/1283156984.db2.gz GKZALXAQXCKEGE-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987144 1283156990 /nfs/dbraw/zinc/15/69/90/1283156990.db2.gz GKZALXAQXCKEGE-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM CCOC(=O)c1cnn(CC(=O)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC001604390855 1287630178 /nfs/dbraw/zinc/63/01/78/1287630178.db2.gz PLVCDUKDXICUJQ-UHFFFAOYSA-N -1 1 351.326 0.994 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CSCC#N ZINC001590180483 1283285876 /nfs/dbraw/zinc/28/58/76/1283285876.db2.gz UOJYIEGJBWJITM-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CSCC#N ZINC001590180483 1283285883 /nfs/dbraw/zinc/28/58/83/1283285883.db2.gz UOJYIEGJBWJITM-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)CSCC#N ZINC001590212461 1283342417 /nfs/dbraw/zinc/34/24/17/1283342417.db2.gz QLCPASWQEZHUCZ-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)CSCC#N ZINC001590212461 1283342431 /nfs/dbraw/zinc/34/24/31/1283342431.db2.gz QLCPASWQEZHUCZ-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001590230257 1283360369 /nfs/dbraw/zinc/36/03/69/1283360369.db2.gz JWZGYFMJYZDKHB-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001590230257 1283360383 /nfs/dbraw/zinc/36/03/83/1283360383.db2.gz JWZGYFMJYZDKHB-DGCLKSJQSA-N -1 1 352.402 0.544 20 30 FCEDMM CCc1ccc(CNC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)s1 ZINC001604523191 1287651440 /nfs/dbraw/zinc/65/14/40/1287651440.db2.gz IIUSADKBLHPBRW-UHFFFAOYSA-N -1 1 357.403 0.457 20 30 FCEDMM CCCN(C(=O)C#CC1CC1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001590615707 1283650366 /nfs/dbraw/zinc/65/03/66/1283650366.db2.gz AIGQXLQFQQHEER-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590666710 1283717063 /nfs/dbraw/zinc/71/70/63/1283717063.db2.gz VFLYPQHFUPOEEB-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CCN(C(=O)C#CC1CC1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590666710 1283717070 /nfs/dbraw/zinc/71/70/70/1283717070.db2.gz VFLYPQHFUPOEEB-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CCO[C@H](CNc1cc(C#N)ncn1)CNc1cc(-c2nnn[n-]2)ncn1 ZINC001590785005 1283840624 /nfs/dbraw/zinc/84/06/24/1283840624.db2.gz CFNASQXZRIDUOC-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@H](CNc1cc(C#N)ncn1)CNc1cc(-c2nn[n-]n2)ncn1 ZINC001590785005 1283840635 /nfs/dbraw/zinc/84/06/35/1283840635.db2.gz CFNASQXZRIDUOC-LLVKDONJSA-N -1 1 367.377 0.247 20 30 FCEDMM CCOc1cc(C#N)ccc1OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590825824 1283905153 /nfs/dbraw/zinc/90/51/53/1283905153.db2.gz SRNHCRGBXCLVBE-VIFPVBQESA-N -1 1 354.330 0.895 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590862645 1283935576 /nfs/dbraw/zinc/93/55/76/1283935576.db2.gz RQGVNQYVSPBTHU-QWHCGFSZSA-N -1 1 352.402 0.544 20 30 FCEDMM CCc1nc(NC/C=C\CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590918399 1283965808 /nfs/dbraw/zinc/96/58/08/1283965808.db2.gz CHRRPOYNQJZZEI-ARJAWSKDSA-N -1 1 352.402 0.717 20 30 FCEDMM CCc1nc(NC/C=C\CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590918399 1283965815 /nfs/dbraw/zinc/96/58/15/1283965815.db2.gz CHRRPOYNQJZZEI-ARJAWSKDSA-N -1 1 352.402 0.717 20 30 FCEDMM CCc1nc(NC/C=C/CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590918401 1283966215 /nfs/dbraw/zinc/96/62/15/1283966215.db2.gz CHRRPOYNQJZZEI-ONEGZZNKSA-N -1 1 352.402 0.717 20 30 FCEDMM CCc1nc(NC/C=C/CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590918401 1283966225 /nfs/dbraw/zinc/96/62/25/1283966225.db2.gz CHRRPOYNQJZZEI-ONEGZZNKSA-N -1 1 352.402 0.717 20 30 FCEDMM CCc1nc(NC/C=C\CNC(=O)CSCC#N)cc(-c2nnn[n-]2)n1 ZINC001590918621 1283968257 /nfs/dbraw/zinc/96/82/57/1283968257.db2.gz DVZUBLGYKFYFQE-ARJAWSKDSA-N -1 1 373.446 0.560 20 30 FCEDMM CCc1nc(NC/C=C\CNC(=O)CSCC#N)cc(-c2nn[n-]n2)n1 ZINC001590918621 1283968262 /nfs/dbraw/zinc/96/82/62/1283968262.db2.gz DVZUBLGYKFYFQE-ARJAWSKDSA-N -1 1 373.446 0.560 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001591055675 1284113842 /nfs/dbraw/zinc/11/38/42/1284113842.db2.gz HLLCUSOGDXAUCJ-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001591055675 1284113851 /nfs/dbraw/zinc/11/38/51/1284113851.db2.gz HLLCUSOGDXAUCJ-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM COc1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)ccc1-c1nn[nH]n1 ZINC001591522961 1284710921 /nfs/dbraw/zinc/71/09/21/1284710921.db2.gz NQMGGJHJZHCMHH-UHFFFAOYSA-N -1 1 352.318 0.067 20 30 FCEDMM COc1ccccc1CCNC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N ZINC001591648493 1284778736 /nfs/dbraw/zinc/77/87/36/1284778736.db2.gz OSFJHMRVKLQXQF-UHFFFAOYSA-N -1 1 366.385 0.611 20 30 FCEDMM COc1ccccc1CCNC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001591648493 1284778745 /nfs/dbraw/zinc/77/87/45/1284778745.db2.gz OSFJHMRVKLQXQF-UHFFFAOYSA-N -1 1 366.385 0.611 20 30 FCEDMM CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591675529 1284812501 /nfs/dbraw/zinc/81/25/01/1284812501.db2.gz FMNQXSSTNSVESV-UHFFFAOYSA-N -1 1 372.370 0.258 20 30 FCEDMM CSc1cccc(NC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)c1 ZINC001591715702 1284852620 /nfs/dbraw/zinc/85/26/20/1284852620.db2.gz FXGVLGIZDMNYGX-UHFFFAOYSA-N -1 1 355.387 0.878 20 30 FCEDMM CN(CC(C)(C)C#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001604712556 1287749167 /nfs/dbraw/zinc/74/91/67/1287749167.db2.gz DXHFUPCFDTWVPS-UHFFFAOYSA-N -1 1 373.421 0.765 20 30 FCEDMM CN(CC(C)(C)C#N)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001604712556 1287749177 /nfs/dbraw/zinc/74/91/77/1287749177.db2.gz DXHFUPCFDTWVPS-UHFFFAOYSA-N -1 1 373.421 0.765 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001591886151 1284974483 /nfs/dbraw/zinc/97/44/83/1284974483.db2.gz FEACIICUAVYVBP-LLVKDONJSA-N -1 1 373.446 0.164 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)CSCC#N)C2)n1 ZINC001591886151 1284974493 /nfs/dbraw/zinc/97/44/93/1284974493.db2.gz FEACIICUAVYVBP-LLVKDONJSA-N -1 1 373.446 0.164 20 30 FCEDMM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591938889 1285019652 /nfs/dbraw/zinc/01/96/52/1285019652.db2.gz FODZBRVJOBNWNY-UHFFFAOYSA-N -1 1 366.267 0.624 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604729211 1287759410 /nfs/dbraw/zinc/75/94/10/1287759410.db2.gz CKLFULYKAQCCKU-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@@H]1CCCN1C(=O)C#CC1CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604729211 1287759415 /nfs/dbraw/zinc/75/94/15/1287759415.db2.gz CKLFULYKAQCCKU-ZDUSSCGKSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001604728974 1287759697 /nfs/dbraw/zinc/75/96/97/1287759697.db2.gz IWGIGTJZQARWFR-AWEZNQCLSA-N -1 1 366.429 0.745 20 30 FCEDMM Cc1nc2ccccn2c(=O)c1CCn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001592404545 1285314573 /nfs/dbraw/zinc/31/45/73/1285314573.db2.gz QEZMAWDNISMAFI-UHFFFAOYSA-N -1 1 362.357 0.076 20 30 FCEDMM Cn1cc([C@@H]2C[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CCO2)cn1 ZINC001592568890 1285483996 /nfs/dbraw/zinc/48/39/96/1285483996.db2.gz CDOUWUFOCLKEHL-PWSUYJOCSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CC1CN(S(=O)(=O)c2cccc(Br)c2-c2nnn[n-]2)C1 ZINC001592671623 1285566825 /nfs/dbraw/zinc/56/68/25/1285566825.db2.gz LFDDSMQISRPHOP-UHFFFAOYSA-N -1 1 369.204 0.773 20 30 FCEDMM N#CC1CN(S(=O)(=O)c2cccc(Br)c2-c2nn[n-]n2)C1 ZINC001592671623 1285566836 /nfs/dbraw/zinc/56/68/36/1285566836.db2.gz LFDDSMQISRPHOP-UHFFFAOYSA-N -1 1 369.204 0.773 20 30 FCEDMM N#C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001592673153 1285567734 /nfs/dbraw/zinc/56/77/34/1285567734.db2.gz VFVPUOIOGCZMAZ-SECBINFHSA-N -1 1 363.359 0.699 20 30 FCEDMM N#CCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001592677747 1285573275 /nfs/dbraw/zinc/57/32/75/1285573275.db2.gz GTZRUXHIABKMON-UHFFFAOYSA-N -1 1 365.394 0.226 20 30 FCEDMM N#CCSCC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592679228 1285574489 /nfs/dbraw/zinc/57/44/89/1285574489.db2.gz JHKPRJRDLKWVNQ-UHFFFAOYSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592679228 1285574501 /nfs/dbraw/zinc/57/45/01/1285574501.db2.gz JHKPRJRDLKWVNQ-UHFFFAOYSA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592680109 1285578146 /nfs/dbraw/zinc/57/81/46/1285578146.db2.gz FGKVAUVJCROINT-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#CCSCC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592680109 1285578151 /nfs/dbraw/zinc/57/81/51/1285578151.db2.gz FGKVAUVJCROINT-NSHDSACASA-N -1 1 373.446 0.564 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccccc2Cn2ccnn2)nc1-c1nn[nH]n1 ZINC001592681316 1285578378 /nfs/dbraw/zinc/57/83/78/1285578378.db2.gz ATXMLGZOGYBACX-UHFFFAOYSA-N -1 1 361.329 0.354 20 30 FCEDMM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC001592681328 1285578515 /nfs/dbraw/zinc/57/85/15/1285578515.db2.gz QUMMODIFHNLZOP-DTWKUNHWSA-N -1 1 363.359 0.745 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592680805 1285578591 /nfs/dbraw/zinc/57/85/91/1285578591.db2.gz ZVWJGOWUWKBPRK-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592680805 1285578603 /nfs/dbraw/zinc/57/86/03/1285578603.db2.gz ZVWJGOWUWKBPRK-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001592679665 1285579314 /nfs/dbraw/zinc/57/93/14/1285579314.db2.gz YKKQDIGYSFMFAW-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001592679665 1285579318 /nfs/dbraw/zinc/57/93/18/1285579318.db2.gz YKKQDIGYSFMFAW-SNVBAGLBSA-N -1 1 359.419 0.220 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001592685732 1285583191 /nfs/dbraw/zinc/58/31/91/1285583191.db2.gz GVLQMJPNXSKZBX-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001592685732 1285583212 /nfs/dbraw/zinc/58/32/12/1285583212.db2.gz GVLQMJPNXSKZBX-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCS(=O)(=O)C1CCCCC1 ZINC001592684372 1285584044 /nfs/dbraw/zinc/58/40/44/1285584044.db2.gz YVPTUDAUQBLYQY-UHFFFAOYSA-N -1 1 350.408 0.265 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001592687324 1285584173 /nfs/dbraw/zinc/58/41/73/1285584173.db2.gz MTNFZXMGYPQLLV-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001592687324 1285584186 /nfs/dbraw/zinc/58/41/86/1285584186.db2.gz MTNFZXMGYPQLLV-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001592687785 1285584380 /nfs/dbraw/zinc/58/43/80/1285584380.db2.gz GHWUIUSFAUOAJX-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001592687785 1285584384 /nfs/dbraw/zinc/58/43/84/1285584384.db2.gz GHWUIUSFAUOAJX-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001592696723 1285588545 /nfs/dbraw/zinc/58/85/45/1285588545.db2.gz CWABULWKSQRVHN-UHFFFAOYSA-N -1 1 350.346 0.762 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001592696723 1285588550 /nfs/dbraw/zinc/58/85/50/1285588550.db2.gz CWABULWKSQRVHN-UHFFFAOYSA-N -1 1 350.346 0.762 20 30 FCEDMM N#Cc1cccc(C(=O)OCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)n1 ZINC001592700766 1285588767 /nfs/dbraw/zinc/58/87/67/1285588767.db2.gz UMMCJHQCVALUCA-UHFFFAOYSA-N -1 1 363.297 0.239 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC001592695167 1285588924 /nfs/dbraw/zinc/58/89/24/1285588924.db2.gz JBCUSCDVUMBNOU-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1ccc(N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC001592695167 1285588925 /nfs/dbraw/zinc/58/89/25/1285588925.db2.gz JBCUSCDVUMBNOU-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1cccc([C@@H]2CN(Cn3cccc(-c4nn[n-]n4)c3=O)CCO2)c1 ZINC001592702523 1285591941 /nfs/dbraw/zinc/59/19/41/1285591941.db2.gz YKFIDRRZLCKZNH-INIZCTEOSA-N -1 1 363.381 0.931 20 30 FCEDMM N#Cc1nc(NCc2ccnc(N3CCOCC3)c2)cnc1-c1nnn[n-]1 ZINC001592707655 1285592644 /nfs/dbraw/zinc/59/26/44/1285592644.db2.gz SKYBSUXNYCGBDD-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(NCc2ccnc(N3CCOCC3)c2)cnc1-c1nn[n-]n1 ZINC001592707655 1285592650 /nfs/dbraw/zinc/59/26/50/1285592650.db2.gz SKYBSUXNYCGBDD-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1ncc(N2CCC[C@H](c3nnc4ccccn43)C2)nc1-c1nn[n-]n1 ZINC001592708527 1285592764 /nfs/dbraw/zinc/59/27/64/1285592764.db2.gz XMMXZLXPQWJBKX-NSHDSACASA-N -1 1 373.384 0.955 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CN(c3ccc(F)cc3)C2=O)nc1-c1nn[n-]n1 ZINC001592710702 1285596529 /nfs/dbraw/zinc/59/65/29/1285596529.db2.gz VTXHXWKMWVCJRB-LLVKDONJSA-N -1 1 351.305 0.495 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592766557 1285688589 /nfs/dbraw/zinc/68/85/89/1285688589.db2.gz NUPNCBZQKAHWSC-CYBMUJFWSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592766557 1285688597 /nfs/dbraw/zinc/68/85/97/1285688597.db2.gz NUPNCBZQKAHWSC-CYBMUJFWSA-N -1 1 368.401 0.100 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001592767926 1285689952 /nfs/dbraw/zinc/68/99/52/1285689952.db2.gz RUOUJZAQEWHMCE-AGIUHOORSA-N -1 1 350.386 0.296 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001592768432 1285693337 /nfs/dbraw/zinc/69/33/37/1285693337.db2.gz JSKHGBBCVVRFEF-IHRRRGAJSA-N -1 1 364.413 0.544 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001592768432 1285693344 /nfs/dbraw/zinc/69/33/44/1285693344.db2.gz JSKHGBBCVVRFEF-IHRRRGAJSA-N -1 1 364.413 0.544 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c(C(=O)[O-])c1 ZINC001601112352 1286638205 /nfs/dbraw/zinc/63/82/05/1286638205.db2.gz UNYVEIVABKKQKY-UHFFFAOYSA-N -1 1 361.383 0.943 20 30 FCEDMM N#Cc1cccc(S(=O)(=O)CCN(CC(=O)[O-])C2CCOCC2)c1 ZINC001601121826 1286639344 /nfs/dbraw/zinc/63/93/44/1286639344.db2.gz YXCAOWVINZMSPL-UHFFFAOYSA-N -1 1 352.412 0.898 20 30 FCEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001601124301 1286641465 /nfs/dbraw/zinc/64/14/65/1286641465.db2.gz JJTYSIZYWUVECO-KRWDZBQOSA-N -1 1 360.370 0.828 20 30 FCEDMM C#C[C@H](C)NS(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001602688986 1287056608 /nfs/dbraw/zinc/05/66/08/1287056608.db2.gz AILQBICSGKYNMY-ZETCQYMHSA-N -1 1 356.205 0.929 20 30 FCEDMM C#C[C@H](C)NS(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001602688986 1287056621 /nfs/dbraw/zinc/05/66/21/1287056621.db2.gz AILQBICSGKYNMY-ZETCQYMHSA-N -1 1 356.205 0.929 20 30 FCEDMM C#CCCCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602702040 1287061736 /nfs/dbraw/zinc/06/17/36/1287061736.db2.gz BXINQUQIVDKEMB-CYBMUJFWSA-N -1 1 354.418 0.533 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602703310 1287065210 /nfs/dbraw/zinc/06/52/10/1287065210.db2.gz NPXBAWYCXPRMRR-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602703310 1287065217 /nfs/dbraw/zinc/06/52/17/1287065217.db2.gz NPXBAWYCXPRMRR-LBPRGKRZSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001602703883 1287065960 /nfs/dbraw/zinc/06/59/60/1287065960.db2.gz IFOCMMNDRYCTNZ-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001602703883 1287065965 /nfs/dbraw/zinc/06/59/65/1287065965.db2.gz IFOCMMNDRYCTNZ-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001602703922 1287066696 /nfs/dbraw/zinc/06/66/96/1287066696.db2.gz JJOZDAJFVUJANS-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001602703922 1287066707 /nfs/dbraw/zinc/06/67/07/1287066707.db2.gz JJOZDAJFVUJANS-KGLIPLIRSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCCCC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001602710656 1287067337 /nfs/dbraw/zinc/06/73/37/1287067337.db2.gz YHPYSFKGFAFGMQ-CYBMUJFWSA-N -1 1 356.434 0.921 20 30 FCEDMM C#CCCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001602706247 1287068336 /nfs/dbraw/zinc/06/83/36/1287068336.db2.gz ODQRFHWWVZUTEG-OKILXGFUSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602709380 1287069403 /nfs/dbraw/zinc/06/94/03/1287069403.db2.gz CRKAQHWQUHLUEF-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602714169 1287071282 /nfs/dbraw/zinc/07/12/82/1287071282.db2.gz LSGGROSROHPELA-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602714169 1287071295 /nfs/dbraw/zinc/07/12/95/1287071295.db2.gz LSGGROSROHPELA-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001602716905 1287073329 /nfs/dbraw/zinc/07/33/29/1287073329.db2.gz UKLQXHDAPRJIGO-UHFFFAOYSA-N -1 1 350.360 0.807 20 30 FCEDMM C#CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001602716905 1287073341 /nfs/dbraw/zinc/07/33/41/1287073341.db2.gz UKLQXHDAPRJIGO-UHFFFAOYSA-N -1 1 350.360 0.807 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001602724196 1287082064 /nfs/dbraw/zinc/08/20/64/1287082064.db2.gz BRQFSQHIOYDEDO-PIGZYNQJSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001602724196 1287082074 /nfs/dbraw/zinc/08/20/74/1287082074.db2.gz BRQFSQHIOYDEDO-PIGZYNQJSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602725361 1287083367 /nfs/dbraw/zinc/08/33/67/1287083367.db2.gz JZTUZZTVOKIESS-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602725361 1287083376 /nfs/dbraw/zinc/08/33/76/1287083376.db2.gz JZTUZZTVOKIESS-LBPRGKRZSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602725041 1287084567 /nfs/dbraw/zinc/08/45/67/1287084567.db2.gz IRTQLYITJKEBIM-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602725041 1287084578 /nfs/dbraw/zinc/08/45/78/1287084578.db2.gz IRTQLYITJKEBIM-VXGBXAGGSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602724921 1287084605 /nfs/dbraw/zinc/08/46/05/1287084605.db2.gz HUNOGKGRXXCBME-VXGBXAGGSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602724921 1287084616 /nfs/dbraw/zinc/08/46/16/1287084616.db2.gz HUNOGKGRXXCBME-VXGBXAGGSA-N -1 1 372.433 0.564 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602725674 1287085818 /nfs/dbraw/zinc/08/58/18/1287085818.db2.gz LTWANPJMENBMAD-RYUDHWBXSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602725674 1287085833 /nfs/dbraw/zinc/08/58/33/1287085833.db2.gz LTWANPJMENBMAD-RYUDHWBXSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602726910 1287089719 /nfs/dbraw/zinc/08/97/19/1287089719.db2.gz UIUWDPXSSSGQKM-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602726910 1287089731 /nfs/dbraw/zinc/08/97/31/1287089731.db2.gz UIUWDPXSSSGQKM-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602727796 1287093669 /nfs/dbraw/zinc/09/36/69/1287093669.db2.gz SMMZIJBWQHUYQO-UTUOFQBUSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602727796 1287093680 /nfs/dbraw/zinc/09/36/80/1287093680.db2.gz SMMZIJBWQHUYQO-UTUOFQBUSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001602727747 1287094381 /nfs/dbraw/zinc/09/43/81/1287094381.db2.gz ZVAFKHKURHNMKH-VXGBXAGGSA-N -1 1 372.433 0.060 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001602729531 1287096748 /nfs/dbraw/zinc/09/67/48/1287096748.db2.gz WCSIMOMXIUKDKA-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001602729531 1287096757 /nfs/dbraw/zinc/09/67/57/1287096757.db2.gz WCSIMOMXIUKDKA-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001602735896 1287098661 /nfs/dbraw/zinc/09/86/61/1287098661.db2.gz VMKUDPFAVVGNNY-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001602735896 1287098665 /nfs/dbraw/zinc/09/86/65/1287098665.db2.gz VMKUDPFAVVGNNY-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001602739391 1287101369 /nfs/dbraw/zinc/10/13/69/1287101369.db2.gz HTLKBEDCHOXWFG-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001602739391 1287101376 /nfs/dbraw/zinc/10/13/76/1287101376.db2.gz HTLKBEDCHOXWFG-JOCQHMNTSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001602739980 1287101759 /nfs/dbraw/zinc/10/17/59/1287101759.db2.gz RPGNLDWTEDTIFO-LLVKDONJSA-N -1 1 363.385 0.075 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001602745850 1287102556 /nfs/dbraw/zinc/10/25/56/1287102556.db2.gz VHHJBWYSPBTDIR-NSHDSACASA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001602745850 1287102570 /nfs/dbraw/zinc/10/25/70/1287102570.db2.gz VHHJBWYSPBTDIR-NSHDSACASA-N -1 1 363.385 0.511 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001602742755 1287102863 /nfs/dbraw/zinc/10/28/63/1287102863.db2.gz JYQJVNIGKPLELE-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001602742755 1287102869 /nfs/dbraw/zinc/10/28/69/1287102869.db2.gz JYQJVNIGKPLELE-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001602756847 1287105262 /nfs/dbraw/zinc/10/52/62/1287105262.db2.gz YQDFIFLXKPCDEL-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001602756847 1287105267 /nfs/dbraw/zinc/10/52/67/1287105267.db2.gz YQDFIFLXKPCDEL-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=C(C)CS(=O)(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001602763276 1287107892 /nfs/dbraw/zinc/10/78/92/1287107892.db2.gz GUWSFDPKRNQBRG-UHFFFAOYSA-N -1 1 354.461 0.956 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001602769906 1287109393 /nfs/dbraw/zinc/10/93/93/1287109393.db2.gz AZRZTLMSSFSKCR-GFCCVEGCSA-N -1 1 370.417 0.652 20 30 FCEDMM C=C1CC(C)(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001602769906 1287109397 /nfs/dbraw/zinc/10/93/97/1287109397.db2.gz AZRZTLMSSFSKCR-GFCCVEGCSA-N -1 1 370.417 0.652 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CC1 ZINC001602775271 1287111298 /nfs/dbraw/zinc/11/12/98/1287111298.db2.gz LEPBQCHKCXZICJ-CHWSQXEVSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CC1 ZINC001602775271 1287111301 /nfs/dbraw/zinc/11/13/01/1287111301.db2.gz LEPBQCHKCXZICJ-CHWSQXEVSA-N -1 1 370.417 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602793857 1287118240 /nfs/dbraw/zinc/11/82/40/1287118240.db2.gz FPRYNHKTWFSZFG-SJKOYZFVSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602793857 1287118246 /nfs/dbraw/zinc/11/82/46/1287118246.db2.gz FPRYNHKTWFSZFG-SJKOYZFVSA-N -1 1 372.433 0.634 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602793375 1287118743 /nfs/dbraw/zinc/11/87/43/1287118743.db2.gz AGIMQLAPQLCVFQ-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602793375 1287118747 /nfs/dbraw/zinc/11/87/47/1287118747.db2.gz AGIMQLAPQLCVFQ-BDJLRTHQSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001602793005 1287118857 /nfs/dbraw/zinc/11/88/57/1287118857.db2.gz JTYNIZCFSPLIDH-GRRKEVBASA-N -1 1 370.417 0.210 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001602793005 1287118858 /nfs/dbraw/zinc/11/88/58/1287118858.db2.gz JTYNIZCFSPLIDH-GRRKEVBASA-N -1 1 370.417 0.210 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001602809075 1287122999 /nfs/dbraw/zinc/12/29/99/1287122999.db2.gz QDOHMCMEHOGSDF-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001602809075 1287123004 /nfs/dbraw/zinc/12/30/04/1287123004.db2.gz QDOHMCMEHOGSDF-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCC(=O)N(C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602822582 1287123920 /nfs/dbraw/zinc/12/39/20/1287123920.db2.gz CDOPHFFIJOQWMO-NSHDSACASA-N -1 1 360.422 0.417 20 30 FCEDMM C=CCCC(=O)N(C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602822582 1287123926 /nfs/dbraw/zinc/12/39/26/1287123926.db2.gz CDOPHFFIJOQWMO-NSHDSACASA-N -1 1 360.422 0.417 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CCC1 ZINC001602818206 1287124276 /nfs/dbraw/zinc/12/42/76/1287124276.db2.gz HFOJGBUJNUZIDT-VXGBXAGGSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CCC1 ZINC001602818206 1287124285 /nfs/dbraw/zinc/12/42/85/1287124285.db2.gz HFOJGBUJNUZIDT-VXGBXAGGSA-N -1 1 370.417 0.069 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001602816752 1287125066 /nfs/dbraw/zinc/12/50/66/1287125066.db2.gz UHWNQFMECGVUJF-VIKVFOODSA-N -1 1 366.429 0.976 20 30 FCEDMM C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001602816752 1287125072 /nfs/dbraw/zinc/12/50/72/1287125072.db2.gz UHWNQFMECGVUJF-VIKVFOODSA-N -1 1 366.429 0.976 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001602834451 1287128455 /nfs/dbraw/zinc/12/84/55/1287128455.db2.gz UETLIMCMFYJTCE-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001602834451 1287128462 /nfs/dbraw/zinc/12/84/62/1287128462.db2.gz UETLIMCMFYJTCE-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602831558 1287128782 /nfs/dbraw/zinc/12/87/82/1287128782.db2.gz BNUUZKPSLRUOAH-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCCC(=O)NC[C@@]1(O)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602831558 1287128787 /nfs/dbraw/zinc/12/87/87/1287128787.db2.gz BNUUZKPSLRUOAH-INIZCTEOSA-N -1 1 358.406 0.070 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602840708 1287130196 /nfs/dbraw/zinc/13/01/96/1287130196.db2.gz CTZSJGRYHYVQKA-PNESKVBLSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602840708 1287130202 /nfs/dbraw/zinc/13/02/02/1287130202.db2.gz CTZSJGRYHYVQKA-PNESKVBLSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001602841121 1287130586 /nfs/dbraw/zinc/13/05/86/1287130586.db2.gz NZDIPEQCARNLGW-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001602841121 1287130590 /nfs/dbraw/zinc/13/05/90/1287130590.db2.gz NZDIPEQCARNLGW-LBPRGKRZSA-N -1 1 360.422 0.533 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602841519 1287132622 /nfs/dbraw/zinc/13/26/22/1287132622.db2.gz ZXAITBCCOBLAHH-HIFPTAJRSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602841519 1287132631 /nfs/dbraw/zinc/13/26/31/1287132631.db2.gz ZXAITBCCOBLAHH-HIFPTAJRSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602844173 1287132815 /nfs/dbraw/zinc/13/28/15/1287132815.db2.gz LDBWTQLJXBZSRM-UHFFFAOYSA-N -1 1 372.433 0.959 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602844173 1287132820 /nfs/dbraw/zinc/13/28/20/1287132820.db2.gz LDBWTQLJXBZSRM-UHFFFAOYSA-N -1 1 372.433 0.959 20 30 FCEDMM C=CCCOCC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602843875 1287133052 /nfs/dbraw/zinc/13/30/52/1287133052.db2.gz BBIPVPRVCXHPIT-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602843875 1287133057 /nfs/dbraw/zinc/13/30/57/1287133057.db2.gz BBIPVPRVCXHPIT-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602850915 1287135984 /nfs/dbraw/zinc/13/59/84/1287135984.db2.gz ZTKJZJCCRYCUCS-UHFFFAOYSA-N -1 1 369.378 0.746 20 30 FCEDMM C=CCOCC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602866656 1287140082 /nfs/dbraw/zinc/14/00/82/1287140082.db2.gz HNMVERRCBVSVKW-UHFFFAOYSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602866656 1287140086 /nfs/dbraw/zinc/14/00/86/1287140086.db2.gz HNMVERRCBVSVKW-UHFFFAOYSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602867954 1287141460 /nfs/dbraw/zinc/14/14/60/1287141460.db2.gz FLVBMSBKUMQUGZ-JSGCOSHPSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602867954 1287141465 /nfs/dbraw/zinc/14/14/65/1287141465.db2.gz FLVBMSBKUMQUGZ-JSGCOSHPSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001602868224 1287141879 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C=CCOCCCC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001602871242 1287144347 /nfs/dbraw/zinc/14/43/47/1287144347.db2.gz NQRLJNDPRRWQRO-ZDUSSCGKSA-N -1 1 372.433 0.464 20 30 FCEDMM C=CCn1cc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001602882717 1287147153 /nfs/dbraw/zinc/14/71/53/1287147153.db2.gz SCRLRTCSRTXXPZ-UHFFFAOYSA-N -1 1 366.389 0.002 20 30 FCEDMM C=CCn1cc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nn1 ZINC001602882717 1287147158 /nfs/dbraw/zinc/14/71/58/1287147158.db2.gz SCRLRTCSRTXXPZ-UHFFFAOYSA-N -1 1 366.389 0.002 20 30 FCEDMM C=CCn1c(Cn2cnc(-c3nn[n-]n3)n2)nnc1N1CCC[C@H](C)CC1 ZINC001602880231 1287148130 /nfs/dbraw/zinc/14/81/30/1287148130.db2.gz SGUUVLAEFAGQNW-LBPRGKRZSA-N -1 1 369.437 0.910 20 30 FCEDMM CC#CCCCC(=O)NC[C@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001602891272 1287149480 /nfs/dbraw/zinc/14/94/80/1287149480.db2.gz BENAZFOLSILANT-LLVKDONJSA-N -1 1 363.447 0.714 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001602981323 1287171381 /nfs/dbraw/zinc/17/13/81/1287171381.db2.gz DGXQITARNFLFJK-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001602981323 1287171384 /nfs/dbraw/zinc/17/13/84/1287171384.db2.gz DGXQITARNFLFJK-LBPRGKRZSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001602982239 1287173228 /nfs/dbraw/zinc/17/32/28/1287173228.db2.gz SIEZNBZCXJVEAL-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001602982239 1287173232 /nfs/dbraw/zinc/17/32/32/1287173232.db2.gz SIEZNBZCXJVEAL-VXGBXAGGSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001602981480 1287173302 /nfs/dbraw/zinc/17/33/02/1287173302.db2.gz FOLOXCSPWNNJHI-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001602981480 1287173305 /nfs/dbraw/zinc/17/33/05/1287173305.db2.gz 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CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001603051436 1287197915 /nfs/dbraw/zinc/19/79/15/1287197915.db2.gz KXWANSRKAMBISA-OLZOCXBDSA-N -1 1 368.445 0.825 20 30 FCEDMM CC(C)(C)C#CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603051798 1287198255 /nfs/dbraw/zinc/19/82/55/1287198255.db2.gz XKVRSJPROTZOOJ-QWHCGFSZSA-N -1 1 368.445 0.825 20 30 FCEDMM COc1ccc2c(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)cc(=O)oc2c1 ZINC001605307923 1287923808 /nfs/dbraw/zinc/92/38/08/1287923808.db2.gz QNIJBMYSWPXCBN-UHFFFAOYSA-N -1 1 364.325 0.680 20 30 FCEDMM CS(=O)(=O)c1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)s1 ZINC001605358070 1287936842 /nfs/dbraw/zinc/93/68/42/1287936842.db2.gz VXGNLQLCIJDGGS-UHFFFAOYSA-N -1 1 362.400 0.605 20 30 FCEDMM CS(=O)(=O)c1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)s1 ZINC001605358070 1287936844 /nfs/dbraw/zinc/93/68/44/1287936844.db2.gz VXGNLQLCIJDGGS-UHFFFAOYSA-N -1 1 362.400 0.605 20 30 FCEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@H](C#N)C1 ZINC001605457432 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1 370.408 0.734 20 30 FCEDMM COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-])C1 ZINC001172614440 850711426 /nfs/dbraw/zinc/71/14/26/850711426.db2.gz YEHYJGPAJLMWFA-IJLUTSLNSA-N -1 1 370.408 0.734 20 30 FCEDMM CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)N([O-])C(=N)c1nonc1N ZINC001180734324 851059837 /nfs/dbraw/zinc/05/98/37/851059837.db2.gz MAKGCXRKOFVWIV-SNVBAGLBSA-N -1 1 358.380 0.505 20 30 FCEDMM Cc1nc([C@@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c2cnn(C)c2)no1 ZINC001190725245 851953744 /nfs/dbraw/zinc/95/37/44/851953744.db2.gz RGVVXLZVJIBXCT-CABZTGNLSA-N -1 1 353.408 0.127 20 30 FCEDMM N=C(c1nonc1N)N([O-])C(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193132606 852370334 /nfs/dbraw/zinc/37/03/34/852370334.db2.gz UIFAFDCECKVBJD-UHFFFAOYSA-N -1 1 351.344 0.445 20 30 FCEDMM COC(=O)[C@@]1([N-]S(=O)(=O)[C@@H](C)C#N)CCN(Cc2ccccc2)C1 ZINC001193170126 852379102 /nfs/dbraw/zinc/37/91/02/852379102.db2.gz FCQJGDVNWMAVCO-XJKSGUPXSA-N -1 1 351.428 0.636 20 30 FCEDMM N#CC1(NC(=O)[C@@H]2CC23CN(C(=O)c2c[nH]c(=S)[n-]c2=O)C3)CCC1 ZINC001278525138 862359034 /nfs/dbraw/zinc/35/90/34/862359034.db2.gz VKCSVPMOIBEGQG-JTQLQIEISA-N -1 1 359.411 0.495 20 30 FCEDMM C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1nc[nH]c(=O)c1Br ZINC001226723220 857122411 /nfs/dbraw/zinc/12/24/11/857122411.db2.gz VRUVNZFSAGGSHV-ZETCQYMHSA-N -1 1 369.193 0.783 20 30 FCEDMM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1[n-]c(=O)nc2c1COC2 ZINC001227689939 857170677 /nfs/dbraw/zinc/17/06/77/857170677.db2.gz JMSIGHPQGPQMOE-JTQLQIEISA-N -1 1 350.327 0.808 20 30 FCEDMM [NH3+]CCC[N@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(COC2)CC1 ZINC001257904396 858162770 /nfs/dbraw/zinc/16/27/70/858162770.db2.gz FIACPCOICWJJET-LBPRGKRZSA-N -1 1 354.409 0.962 20 30 FCEDMM [NH3+]CCC[N@@H+](C[C@H]([S-])OP(=O)([O-])[O-])C1CCC2(COC2)CC1 ZINC001257904396 858162777 /nfs/dbraw/zinc/16/27/77/858162777.db2.gz FIACPCOICWJJET-LBPRGKRZSA-N -1 1 354.409 0.962 20 30 FCEDMM CCOC(=O)c1nnc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC001260046225 858327054 /nfs/dbraw/zinc/32/70/54/858327054.db2.gz CKYBUYAYIOGPCA-UHFFFAOYSA-N -1 1 350.356 0.738 20 30 FCEDMM CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1 ZINC001321234461 868407786 /nfs/dbraw/zinc/40/77/86/868407786.db2.gz XNHLMXKUDIXBIY-HIFRSBDPSA-N -1 1 369.443 0.407 20 30 FCEDMM C#CCCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001602675716 971252613 /nfs/dbraw/zinc/25/26/13/971252613.db2.gz KVDFRPXQARFVPU-ZJUUUORDSA-N -1 1 370.349 0.326 20 30 FCEDMM C#C[C@@H]1COCCN1C(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001573281425 946677365 /nfs/dbraw/zinc/67/73/65/946677365.db2.gz YRUQJKWYPXFFEJ-CYBMUJFWSA-N -1 1 371.401 0.240 20 30 FCEDMM C#CCCCCC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573282791 946696835 /nfs/dbraw/zinc/69/68/35/946696835.db2.gz AYOIXCOLDYKMST-CHWSQXEVSA-N -1 1 356.434 0.967 20 30 FCEDMM C#CCN(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001573283517 946717620 /nfs/dbraw/zinc/71/76/20/946717620.db2.gz SQFZVDGWIILCNB-UHFFFAOYSA-N -1 1 371.401 0.748 20 30 FCEDMM C#CCN(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001573283517 946717630 /nfs/dbraw/zinc/71/76/30/946717630.db2.gz SQFZVDGWIILCNB-UHFFFAOYSA-N -1 1 371.401 0.748 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573283823 946726881 /nfs/dbraw/zinc/72/68/81/946726881.db2.gz WCJCHFZRJITLCC-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573283823 946726889 /nfs/dbraw/zinc/72/68/89/946726889.db2.gz WCJCHFZRJITLCC-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573286501 946810049 /nfs/dbraw/zinc/81/00/49/946810049.db2.gz CRAAJFYDRSUKRF-UHFFFAOYSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573286501 946810061 /nfs/dbraw/zinc/81/00/61/946810061.db2.gz CRAAJFYDRSUKRF-UHFFFAOYSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)NCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573287742 946847240 /nfs/dbraw/zinc/84/72/40/946847240.db2.gz FEYRRQCPKLKUIN-UHFFFAOYSA-N -1 1 369.838 0.935 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573288044 946854668 /nfs/dbraw/zinc/85/46/68/946854668.db2.gz RWAXTSDXLUEXSJ-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573288044 946854683 /nfs/dbraw/zinc/85/46/83/946854683.db2.gz RWAXTSDXLUEXSJ-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573288523 946871335 /nfs/dbraw/zinc/87/13/35/946871335.db2.gz VDQMTDFTJOQKGZ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573288523 946871345 /nfs/dbraw/zinc/87/13/45/946871345.db2.gz VDQMTDFTJOQKGZ-OLZOCXBDSA-N -1 1 370.417 0.346 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)nc1 ZINC001573290761 946911003 /nfs/dbraw/zinc/91/10/03/946911003.db2.gz OVOXETPRPUOULL-LLVKDONJSA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)nc1 ZINC001573290761 946911012 /nfs/dbraw/zinc/91/10/12/946911012.db2.gz OVOXETPRPUOULL-LLVKDONJSA-N -1 1 363.385 0.572 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573290829 946912141 /nfs/dbraw/zinc/91/21/41/946912141.db2.gz QOLJXQFNTUFRAU-UHFFFAOYSA-N -1 1 374.408 0.529 20 30 FCEDMM C#Cc1ccccc1CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573290829 946912147 /nfs/dbraw/zinc/91/21/47/946912147.db2.gz QOLJXQFNTUFRAU-UHFFFAOYSA-N -1 1 374.408 0.529 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573291391 946918078 /nfs/dbraw/zinc/91/80/78/946918078.db2.gz ZRTZUDNADDWQBZ-UHFFFAOYSA-N -1 1 362.397 0.717 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573291391 946918084 /nfs/dbraw/zinc/91/80/84/946918084.db2.gz ZRTZUDNADDWQBZ-UHFFFAOYSA-N -1 1 362.397 0.717 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573291686 946922767 /nfs/dbraw/zinc/92/27/67/946922767.db2.gz ICOYAMDHESVPDG-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573291686 946922771 /nfs/dbraw/zinc/92/27/71/946922771.db2.gz ICOYAMDHESVPDG-BETUJISGSA-N -1 1 361.369 0.406 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573294730 946998065 /nfs/dbraw/zinc/99/80/65/946998065.db2.gz KAWUNXGVXBLOAA-HUBLWGQQSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573294730 946998074 /nfs/dbraw/zinc/99/80/74/946998074.db2.gz KAWUNXGVXBLOAA-HUBLWGQQSA-N -1 1 372.433 0.579 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573566537 947028192 /nfs/dbraw/zinc/02/81/92/947028192.db2.gz DGYSDIZPUYICQG-GFCCVEGCSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573567192 947037436 /nfs/dbraw/zinc/03/74/36/947037436.db2.gz JSVIDEBXGFZZOE-SJKOYZFVSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573567192 947037451 /nfs/dbraw/zinc/03/74/51/947037451.db2.gz JSVIDEBXGFZZOE-SJKOYZFVSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573567171 947039576 /nfs/dbraw/zinc/03/95/76/947039576.db2.gz JFPOJCIYAQXGFC-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573567171 947039592 /nfs/dbraw/zinc/03/95/92/947039592.db2.gz JFPOJCIYAQXGFC-SJCJKPOMSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573567466 947045371 /nfs/dbraw/zinc/04/53/71/947045371.db2.gz NNHHQBSIWQXQSQ-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567466 947045382 /nfs/dbraw/zinc/04/53/82/947045382.db2.gz NNHHQBSIWQXQSQ-PXAZEXFGSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573567470 947045865 /nfs/dbraw/zinc/04/58/65/947045865.db2.gz NNHHQBSIWQXQSQ-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567470 947045870 /nfs/dbraw/zinc/04/58/70/947045870.db2.gz NNHHQBSIWQXQSQ-YVEFUNNKSA-N -1 1 367.417 0.635 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573296359 947046349 /nfs/dbraw/zinc/04/63/49/947046349.db2.gz NQCBLBIPGBTXSR-GFCCVEGCSA-N -1 1 354.418 0.956 20 30 FCEDMM C=C1CC(C)(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573296359 947046363 /nfs/dbraw/zinc/04/63/63/947046363.db2.gz NQCBLBIPGBTXSR-GFCCVEGCSA-N -1 1 354.418 0.956 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573567953 947059293 /nfs/dbraw/zinc/05/92/93/947059293.db2.gz VKINPIFERYLSBK-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573567953 947059308 /nfs/dbraw/zinc/05/93/08/947059308.db2.gz VKINPIFERYLSBK-NWDGAFQWSA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573568078 947065686 /nfs/dbraw/zinc/06/56/86/947065686.db2.gz XGRLFADREFUQHV-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573568078 947065700 /nfs/dbraw/zinc/06/57/00/947065700.db2.gz XGRLFADREFUQHV-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573569722 947075267 /nfs/dbraw/zinc/07/52/67/947075267.db2.gz FBIJAZWIGUBDEM-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573569722 947075275 /nfs/dbraw/zinc/07/52/75/947075275.db2.gz FBIJAZWIGUBDEM-IJLUTSLNSA-N -1 1 355.406 0.713 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573570837 947095404 /nfs/dbraw/zinc/09/54/04/947095404.db2.gz UZRDIUYLIHSPOK-ZETCQYMHSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573570837 947095417 /nfs/dbraw/zinc/09/54/17/947095417.db2.gz UZRDIUYLIHSPOK-ZETCQYMHSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573571043 947099191 /nfs/dbraw/zinc/09/91/91/947099191.db2.gz XFKSICOMCIOBJM-FXQIFTODSA-N -1 1 364.822 0.926 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573571043 947099203 /nfs/dbraw/zinc/09/92/03/947099203.db2.gz XFKSICOMCIOBJM-FXQIFTODSA-N -1 1 364.822 0.926 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573572025 947106400 /nfs/dbraw/zinc/10/64/00/947106400.db2.gz CZECNRNUESRLGL-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573572025 947106405 /nfs/dbraw/zinc/10/64/05/947106405.db2.gz CZECNRNUESRLGL-YEJSDXFRSA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573573804 947127138 /nfs/dbraw/zinc/12/71/38/947127138.db2.gz PNIOKFPJQRQJOZ-JQWIXIFHSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573573804 947127144 /nfs/dbraw/zinc/12/71/44/947127144.db2.gz PNIOKFPJQRQJOZ-JQWIXIFHSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573577106 947161531 /nfs/dbraw/zinc/16/15/31/947161531.db2.gz MEKVJXHRCWKODB-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573577106 947161537 /nfs/dbraw/zinc/16/15/37/947161537.db2.gz MEKVJXHRCWKODB-LLVKDONJSA-N -1 1 355.406 0.539 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573309181 947192092 /nfs/dbraw/zinc/19/20/92/947192092.db2.gz DLWVRFKYXWGNEE-HZPDHXFCSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573309181 947192099 /nfs/dbraw/zinc/19/20/99/947192099.db2.gz DLWVRFKYXWGNEE-HZPDHXFCSA-N -1 1 358.406 0.069 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573582733 947197003 /nfs/dbraw/zinc/19/70/03/947197003.db2.gz GOHDIWYWVCPEJC-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573582733 947197006 /nfs/dbraw/zinc/19/70/06/947197006.db2.gz GOHDIWYWVCPEJC-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573309422 947198394 /nfs/dbraw/zinc/19/83/94/947198394.db2.gz ISVOSJJAJXLFEJ-CQSZACIVSA-N -1 1 351.436 0.511 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573309468 947200177 /nfs/dbraw/zinc/20/01/77/947200177.db2.gz JFXCWZZZTJIUJM-SUMWQHHRSA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573309468 947200187 /nfs/dbraw/zinc/20/01/87/947200187.db2.gz JFXCWZZZTJIUJM-SUMWQHHRSA-N -1 1 372.433 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573310198 947218032 /nfs/dbraw/zinc/21/80/32/947218032.db2.gz UUBDVOIHJBOLQX-KRWDZBQOSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573310198 947218044 /nfs/dbraw/zinc/21/80/44/947218044.db2.gz UUBDVOIHJBOLQX-KRWDZBQOSA-N -1 1 372.433 0.411 20 30 FCEDMM CCOC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000825560669 947219807 /nfs/dbraw/zinc/21/98/07/947219807.db2.gz VNMOTBQZUOHZIH-UHFFFAOYSA-N -1 1 366.341 0.750 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573310335 947221522 /nfs/dbraw/zinc/22/15/22/947221522.db2.gz WOFGBMDPMLJKHV-INIZCTEOSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573310335 947221531 /nfs/dbraw/zinc/22/15/31/947221531.db2.gz WOFGBMDPMLJKHV-INIZCTEOSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001573310336 947222378 /nfs/dbraw/zinc/22/23/78/947222378.db2.gz WOFGBMDPMLJKHV-MRXNPFEDSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001573310336 947222384 /nfs/dbraw/zinc/22/23/84/947222384.db2.gz WOFGBMDPMLJKHV-MRXNPFEDSA-N -1 1 372.433 0.825 20 30 FCEDMM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573310385 947223425 /nfs/dbraw/zinc/22/34/25/947223425.db2.gz XHCUYJAJJQICSU-MEDUHNTESA-N -1 1 360.422 0.224 20 30 FCEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001573584557 947227794 /nfs/dbraw/zinc/22/77/94/947227794.db2.gz YCARWWKRTAGHIO-IJLUTSLNSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@H](C#N)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001573584557 947227806 /nfs/dbraw/zinc/22/78/06/947227806.db2.gz YCARWWKRTAGHIO-IJLUTSLNSA-N -1 1 355.406 0.395 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573316334 947271667 /nfs/dbraw/zinc/27/16/67/947271667.db2.gz VRQRCUWODZGIAZ-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573316334 947271678 /nfs/dbraw/zinc/27/16/78/947271678.db2.gz VRQRCUWODZGIAZ-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573329041 947416499 /nfs/dbraw/zinc/41/64/99/947416499.db2.gz GSTYUDWQZWYGJO-CHWSQXEVSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CCCC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573329043 947418362 /nfs/dbraw/zinc/41/83/62/947418362.db2.gz GSTYUDWQZWYGJO-QWHCGFSZSA-N -1 1 356.434 0.941 20 30 FCEDMM C=CCCC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nnn[n-]1)CCO2 ZINC001573330389 947433284 /nfs/dbraw/zinc/43/32/84/947433284.db2.gz WVUZIRXCEJQLQJ-QGZVFWFLSA-N -1 1 370.417 0.431 20 30 FCEDMM C=CCCC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[n-]n1)CCO2 ZINC001573330389 947433289 /nfs/dbraw/zinc/43/32/89/947433289.db2.gz WVUZIRXCEJQLQJ-QGZVFWFLSA-N -1 1 370.417 0.431 20 30 FCEDMM C=CCCCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573334101 947446628 /nfs/dbraw/zinc/44/66/28/947446628.db2.gz JQSNHKXXLJARFD-XYYAHUGASA-N -1 1 354.418 0.811 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573335736 947487179 /nfs/dbraw/zinc/48/71/79/947487179.db2.gz CTJHZKZTHJCJLF-YRGRVCCFSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573335736 947487186 /nfs/dbraw/zinc/48/71/86/947487186.db2.gz CTJHZKZTHJCJLF-YRGRVCCFSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573335749 947487841 /nfs/dbraw/zinc/48/78/41/947487841.db2.gz CXSPXVLJKNBHNF-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573335749 947487845 /nfs/dbraw/zinc/48/78/45/947487845.db2.gz CXSPXVLJKNBHNF-CYBMUJFWSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCOCC(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573335953 947495486 /nfs/dbraw/zinc/49/54/86/947495486.db2.gz GJPTXLSQPGAVOL-UHFFFAOYSA-N -1 1 372.433 0.865 20 30 FCEDMM C=CCCOCC(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573335953 947495493 /nfs/dbraw/zinc/49/54/93/947495493.db2.gz GJPTXLSQPGAVOL-UHFFFAOYSA-N -1 1 372.433 0.865 20 30 FCEDMM C=CCOCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573342791 947546781 /nfs/dbraw/zinc/54/67/81/947546781.db2.gz DNIIJTSNYZEPFM-ZETCQYMHSA-N -1 1 373.826 0.068 20 30 FCEDMM C=CCOCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573342791 947546793 /nfs/dbraw/zinc/54/67/93/947546793.db2.gz DNIIJTSNYZEPFM-ZETCQYMHSA-N -1 1 373.826 0.068 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573343438 947557897 /nfs/dbraw/zinc/55/78/97/947557897.db2.gz PHCNAPYNYKSTLN-NWDGAFQWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573343438 947557905 /nfs/dbraw/zinc/55/79/05/947557905.db2.gz PHCNAPYNYKSTLN-NWDGAFQWSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573344180 947568338 /nfs/dbraw/zinc/56/83/38/947568338.db2.gz YBJNRMGZLVBDSC-MWLCHTKSSA-N -1 1 363.447 0.775 20 30 FCEDMM COc1cccc(CN(C)C(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC000826216100 947634356 /nfs/dbraw/zinc/63/43/56/947634356.db2.gz KQBLIFZUVBLGDO-UHFFFAOYSA-N -1 1 352.358 0.602 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001573359036 947676307 /nfs/dbraw/zinc/67/63/07/947676307.db2.gz UWPLYKDFQGTANB-ZIAGYGMSSA-N -1 1 370.417 0.170 20 30 FCEDMM CC#CCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001573359036 947676315 /nfs/dbraw/zinc/67/63/15/947676315.db2.gz UWPLYKDFQGTANB-ZIAGYGMSSA-N -1 1 370.417 0.170 20 30 FCEDMM CC#CCCCC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573359299 947684186 /nfs/dbraw/zinc/68/41/86/947684186.db2.gz YQRNNOSDPCSRFL-ZDUSSCGKSA-N -1 1 354.418 0.579 20 30 FCEDMM CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)[C@@H]2C1 ZINC001573429699 948172683 /nfs/dbraw/zinc/17/26/83/948172683.db2.gz KVNRPJNTZDVVPP-QJPTWQEYSA-N -1 1 353.390 0.587 20 30 FCEDMM CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)[C@@H]2C1 ZINC001573429699 948172689 /nfs/dbraw/zinc/17/26/89/948172689.db2.gz KVNRPJNTZDVVPP-QJPTWQEYSA-N -1 1 353.390 0.587 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1nc(N)nc(Nc2ccccc2)n1 ZINC000826383161 948181970 /nfs/dbraw/zinc/18/19/70/948181970.db2.gz NIJIVBVEAHAAHJ-UHFFFAOYSA-N -1 1 360.345 0.494 20 30 FCEDMM N#Cc1ncn(CC(=O)NCCOc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826388297 948194686 /nfs/dbraw/zinc/19/46/86/948194686.db2.gz QUACWJQVBJXOIR-UHFFFAOYSA-N -1 1 372.776 0.783 20 30 FCEDMM C[C@@H](N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001575249268 949094133 /nfs/dbraw/zinc/09/41/33/949094133.db2.gz YQESOKJNNWYHCK-MRVPVSSYSA-N -1 1 353.312 0.601 20 30 FCEDMM C[C@H](c1ccccc1F)[C@H](O)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001575515674 949193390 /nfs/dbraw/zinc/19/33/90/949193390.db2.gz KFIYQFIFPQZVIJ-KRTXAFLBSA-N -1 1 356.321 0.704 20 30 FCEDMM CC(C)(C)OC(=O)[C@@H]1COCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001573851425 950291198 /nfs/dbraw/zinc/29/11/98/950291198.db2.gz XZSCWTGEQUZGSQ-JTQLQIEISA-N -1 1 358.362 0.075 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CO1 ZINC001573857708 950413588 /nfs/dbraw/zinc/41/35/88/950413588.db2.gz XKJLKDCZKYEMQX-QMMMGPOBSA-N -1 1 359.350 0.491 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CO1 ZINC001573857708 950413602 /nfs/dbraw/zinc/41/36/02/950413602.db2.gz XKJLKDCZKYEMQX-QMMMGPOBSA-N -1 1 359.350 0.491 20 30 FCEDMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNc1cnc(C#N)c(-c3nn[n-]n3)n1)O2 ZINC001570975298 950438609 /nfs/dbraw/zinc/43/86/09/950438609.db2.gz CLYAQSCSHNOXPC-ZAQLIGFBSA-N -1 1 356.390 0.913 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)nc1-c1nn[nH]n1 ZINC001570977191 950495299 /nfs/dbraw/zinc/49/52/99/950495299.db2.gz LLSIGTJEYIDQHZ-CAHLUQPWSA-N -1 1 356.268 0.900 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N(CC(=O)[O-])CC1CC1)c1cc[nH]n1 ZINC001590648264 950958353 /nfs/dbraw/zinc/95/83/53/950958353.db2.gz DEEOOJPFAFLPLJ-UHFFFAOYSA-N -1 1 352.347 0.017 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cc[nH]n1 ZINC001590648606 950971842 /nfs/dbraw/zinc/97/18/42/950971842.db2.gz WUAAXCQYEICCCV-MNOVXSKESA-N -1 1 366.374 0.263 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575017517 951000515 /nfs/dbraw/zinc/00/05/15/951000515.db2.gz HCHBKYPYKSDKOG-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575017517 951000533 /nfs/dbraw/zinc/00/05/33/951000533.db2.gz HCHBKYPYKSDKOG-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM N#Cc1nc(NCc2cccc(N3CCOCC3)c2)cnc1-c1nnn[n-]1 ZINC001571006382 951177024 /nfs/dbraw/zinc/17/70/24/951177024.db2.gz DUBAXTUAEDOHTQ-UHFFFAOYSA-N -1 1 363.385 0.977 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C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000848961932 671309189 /nfs/dbraw/zinc/30/91/89/671309189.db2.gz VEXFBJYWZRQWIB-UHFFFAOYSA-N -1 1 365.864 0.762 20 30 FCEDMM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000848962092 671309454 /nfs/dbraw/zinc/30/94/54/671309454.db2.gz YTFKPANOBIZEEN-UHFFFAOYSA-N -1 1 359.473 0.725 20 30 FCEDMM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)c(C#N)cn1 ZINC000848964743 671310820 /nfs/dbraw/zinc/31/08/20/671310820.db2.gz CUIONJDAMOHHAU-LBPRGKRZSA-N -1 1 370.456 0.335 20 30 FCEDMM C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765875 673144493 /nfs/dbraw/zinc/14/44/93/673144493.db2.gz QYORFPJGGAKLOT-TVQRCGJNSA-N -1 1 350.341 0.530 20 30 FCEDMM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000885508360 673524023 /nfs/dbraw/zinc/52/40/23/673524023.db2.gz GOCPULIOEKCECQ-JTQLQIEISA-N -1 1 350.366 0.815 20 30 FCEDMM N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)sc1Cl ZINC001040995455 675486440 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LRJFWQNBAIBFQF-DZGCQCFKSA-N -1 1 354.414 0.268 20 30 FCEDMM CN1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)CC1 ZINC000896234582 1190010355 /nfs/dbraw/zinc/01/03/55/1190010355.db2.gz VANHMYWWWKMROB-UHFFFAOYSA-N -1 1 357.414 0.389 20 30 FCEDMM C=CCNC(=O)[C@H](C)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC001217675800 1224120717 /nfs/dbraw/zinc/12/07/17/1224120717.db2.gz YGDGNWZFUPLSMH-KCQAQPDRSA-N -1 1 360.414 0.003 20 30 FCEDMM N#CC1(C(=O)N2CC3(CN(C(=O)c4ncccc4[O-])C3)C2)CCOCC1 ZINC001272275971 1196825513 /nfs/dbraw/zinc/82/55/13/1196825513.db2.gz OAIXYTVWDBHLBK-UHFFFAOYSA-N -1 1 356.382 0.392 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001089228723 1197045209 /nfs/dbraw/zinc/04/52/09/1197045209.db2.gz MDAFZKKTMKFAEU-ZNMIVQPWSA-N -1 1 363.462 0.512 20 30 FCEDMM C=CCN1C[C@@]2(CCN(C(=O)c3[n-][nH]c4cc(=O)ccc3-4)C2)OCC1=O ZINC001272450697 1197085109 /nfs/dbraw/zinc/08/51/09/1197085109.db2.gz WTSXOTDQFKUEMU-GOSISDBHSA-N -1 1 356.382 0.898 20 30 FCEDMM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001085862828 1198030796 /nfs/dbraw/zinc/03/07/96/1198030796.db2.gz KAVOPQDDHFCHHL-DZKIICNBSA-N -1 1 363.462 0.512 20 30 FCEDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)Cc1cccc(OCC#N)c1 ZINC000810668130 1202950368 /nfs/dbraw/zinc/95/03/68/1202950368.db2.gz LPCKALLZTGTGSP-UHFFFAOYSA-N -1 1 367.365 0.957 20 30 FCEDMM Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CCNC[C@H]3C#N)cc12 ZINC001184357188 1206468607 /nfs/dbraw/zinc/46/86/07/1206468607.db2.gz UNTLVAUYEVFXPM-CQSZACIVSA-N -1 1 370.409 0.563 20 30 FCEDMM CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)N([O-])C(=N)c1nonc1N ZINC001185496609 1206481346 /nfs/dbraw/zinc/48/13/46/1206481346.db2.gz YCFBOHRAPPQJSM-MRVPVSSYSA-N -1 1 368.350 0.164 20 30 FCEDMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N([O-])C(=N)c2nonc2N)c1 ZINC001191299473 1207774571 /nfs/dbraw/zinc/77/45/71/1207774571.db2.gz PGDXWVAQNAVYNO-UHFFFAOYSA-N -1 1 361.318 0.426 20 30 FCEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CN[C@H](N)[C@H]4NCN[C@@H]43)c2)c1 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/nfs/dbraw/zinc/32/24/30/1216322430.db2.gz XQUAOVHDOGMTQV-MFKMUULPSA-N -1 1 364.369 0.081 20 30 FCEDMM C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001097220519 1218725780 /nfs/dbraw/zinc/72/57/80/1218725780.db2.gz SRNJSAHURIKETA-MCIONIFRSA-N -1 1 356.430 0.631 20 30 FCEDMM Cn1cnc([C@@H]2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)C[C@H]2NCC#N)c1 ZINC001070544102 1219461257 /nfs/dbraw/zinc/46/12/57/1219461257.db2.gz GGTIVRMXZPQJGB-DZGCQCFKSA-N -1 1 367.413 0.514 20 30 FCEDMM N#CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001070910544 1219562639 /nfs/dbraw/zinc/56/26/39/1219562639.db2.gz WDIFUDFDWKVGKG-SCRDCRAPSA-N -1 1 357.370 0.030 20 30 FCEDMM N#Cc1cccc(-c2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)on2)c1 ZINC001150802727 1222910367 /nfs/dbraw/zinc/91/03/67/1222910367.db2.gz GLUPNLRNUFBZTE-CYBMUJFWSA-N -1 1 351.326 0.940 20 30 FCEDMM CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001206892720 1223379234 /nfs/dbraw/zinc/37/92/34/1223379234.db2.gz FBFFQCJAODPLNE-ZIAGYGMSSA-N -1 1 359.430 0.599 20 30 FCEDMM CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941601364 1246711304 /nfs/dbraw/zinc/71/13/04/1246711304.db2.gz UOYOJUPVZIUZMB-TZMCWYRMSA-N -1 1 355.354 0.256 20 30 FCEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(CC(=O)N(C)C)nn1 ZINC001516674182 1265566554 /nfs/dbraw/zinc/56/65/54/1265566554.db2.gz AIXAGVMGBPTJRY-NSHDSACASA-N -1 1 370.369 0.336 20 30 FCEDMM C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001078402584 1255405930 /nfs/dbraw/zinc/40/59/30/1255405930.db2.gz RTCMELITONKGPN-MJBXVCDLSA-N -1 1 365.434 0.199 20 30 FCEDMM C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001082851570 1257104714 /nfs/dbraw/zinc/10/47/14/1257104714.db2.gz MYSXIAQHYLGHOY-VXGBXAGGSA-N -1 1 358.402 0.720 20 30 FCEDMM COc1ccc(CN2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)cc1C#N ZINC001083423442 1257454778 /nfs/dbraw/zinc/45/47/78/1257454778.db2.gz WDTJEKURAWMTET-ZBFHGGJFSA-N -1 1 368.393 0.643 20 30 FCEDMM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3Cc2ccc(C#N)cc2[O-])c1 ZINC001279499960 1260880448 /nfs/dbraw/zinc/88/04/48/1260880448.db2.gz RWLPRQYSCFZOOK-GASCZTMLSA-N -1 1 373.438 0.645 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001580303953 1278111659 /nfs/dbraw/zinc/11/16/59/1278111659.db2.gz UJRSQHPVYIWTKE-GFCCVEGCSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001580303953 1278111663 /nfs/dbraw/zinc/11/16/63/1278111663.db2.gz UJRSQHPVYIWTKE-GFCCVEGCSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(=O)NCCc1ccccc1 ZINC001580308046 1278113952 /nfs/dbraw/zinc/11/39/52/1278113952.db2.gz DCTZAXFJRYYEBG-LLVKDONJSA-N -1 1 363.385 0.688 20 30 FCEDMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001580350379 1278150754 /nfs/dbraw/zinc/15/07/54/1278150754.db2.gz IEVUJWWCOLIUNO-BXKDBHETSA-N -1 1 364.373 0.111 20 30 FCEDMM N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)CC2=O)cc1 ZINC001296798630 1262837066 /nfs/dbraw/zinc/83/70/66/1262837066.db2.gz ZXAODAMXSVIBEZ-ZIAGYGMSSA-N -1 1 365.397 0.830 20 30 FCEDMM N#Cc1cn(C2CN(C(=O)c3c[nH]c4ccccc4c3=O)C2)c(=O)[n-]c1=O ZINC001305590747 1263168526 /nfs/dbraw/zinc/16/85/26/1263168526.db2.gz RWPBNWUEVVVVIO-UHFFFAOYSA-N -1 1 363.333 0.359 20 30 FCEDMM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1nn[n-]n1 ZINC001320399053 1263792133 /nfs/dbraw/zinc/79/21/33/1263792133.db2.gz MLSGKFOZZUWISI-DGCLKSJQSA-N -1 1 353.386 0.686 20 30 FCEDMM C[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](C)N1CC(F)(F)F ZINC001580446421 1278307266 /nfs/dbraw/zinc/30/72/66/1278307266.db2.gz DDNDPQMPQVUDSJ-DTORHVGOSA-N -1 1 367.339 0.990 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573307742 1270743519 /nfs/dbraw/zinc/74/35/19/1270743519.db2.gz VLCCNJCDQCXOCB-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573307742 1270743523 /nfs/dbraw/zinc/74/35/23/1270743523.db2.gz VLCCNJCDQCXOCB-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580632402 1278591097 /nfs/dbraw/zinc/59/10/97/1278591097.db2.gz OBDIUDBURMBCMF-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580632402 1278591099 /nfs/dbraw/zinc/59/10/99/1278591099.db2.gz OBDIUDBURMBCMF-SNVBAGLBSA-N -1 1 366.389 0.420 20 30 FCEDMM C[C@@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001574803753 1271542915 /nfs/dbraw/zinc/54/29/15/1271542915.db2.gz OIZCWBRVOBUSFV-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811642 1271553671 /nfs/dbraw/zinc/55/36/71/1271553671.db2.gz VJLWJKOLEAIZBL-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811642 1271553680 /nfs/dbraw/zinc/55/36/80/1271553680.db2.gz VJLWJKOLEAIZBL-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)n1 ZINC001580663959 1278666100 /nfs/dbraw/zinc/66/61/00/1278666100.db2.gz SPRLFWGHAJTXKY-UHTWSYAYSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)n1 ZINC001580663959 1278666111 /nfs/dbraw/zinc/66/61/11/1278666111.db2.gz SPRLFWGHAJTXKY-UHTWSYAYSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580663688 1278666274 /nfs/dbraw/zinc/66/62/74/1278666274.db2.gz PEVWLQHRTWWCSE-DIFFPNOSSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580663688 1278666286 /nfs/dbraw/zinc/66/62/86/1278666286.db2.gz PEVWLQHRTWWCSE-DIFFPNOSSA-N -1 1 369.433 0.848 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580677316 1278698453 /nfs/dbraw/zinc/69/84/53/1278698453.db2.gz MZPZTINZYVFANK-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580677316 1278698461 /nfs/dbraw/zinc/69/84/61/1278698461.db2.gz MZPZTINZYVFANK-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576296747 1273110313 /nfs/dbraw/zinc/11/03/13/1273110313.db2.gz IPBULWJQDNPQFA-CABZTGNLSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576296747 1273110318 /nfs/dbraw/zinc/11/03/18/1273110318.db2.gz IPBULWJQDNPQFA-CABZTGNLSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576313482 1273129299 /nfs/dbraw/zinc/12/92/99/1273129299.db2.gz PLHOQARZUMXPRB-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576313482 1273129302 /nfs/dbraw/zinc/12/93/02/1273129302.db2.gz PLHOQARZUMXPRB-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001580729055 1278818748 /nfs/dbraw/zinc/81/87/48/1278818748.db2.gz GOXMVAPOXIQDFT-JTQLQIEISA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)n1 ZINC001580729055 1278818761 /nfs/dbraw/zinc/81/87/61/1278818761.db2.gz GOXMVAPOXIQDFT-JTQLQIEISA-N -1 1 371.405 0.202 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580740683 1278842768 /nfs/dbraw/zinc/84/27/68/1278842768.db2.gz IJTZHLOYGJSAGS-ZYHUDNBSSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580740683 1278842786 /nfs/dbraw/zinc/84/27/86/1278842786.db2.gz IJTZHLOYGJSAGS-ZYHUDNBSSA-N -1 1 355.406 0.775 20 30 FCEDMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577123225 1274177796 /nfs/dbraw/zinc/17/77/96/1274177796.db2.gz XUHYJLZUWMUNDW-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001577123225 1274177797 /nfs/dbraw/zinc/17/77/97/1274177797.db2.gz XUHYJLZUWMUNDW-NSHDSACASA-N -1 1 355.406 0.999 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580758620 1278878179 /nfs/dbraw/zinc/87/81/79/1278878179.db2.gz ARXVOICKVHWQDH-YUSALJHKSA-N -1 1 355.406 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)n1 ZINC001580758620 1278878187 /nfs/dbraw/zinc/87/81/87/1278878187.db2.gz ARXVOICKVHWQDH-YUSALJHKSA-N -1 1 355.406 0.964 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001577906143 1275114149 /nfs/dbraw/zinc/11/41/49/1275114149.db2.gz NQWNSDIHEVSAMC-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001577906143 1275114155 /nfs/dbraw/zinc/11/41/55/1275114155.db2.gz NQWNSDIHEVSAMC-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001578152542 1275452989 /nfs/dbraw/zinc/45/29/89/1275452989.db2.gz XZPUQCNUWAPOGC-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001578152542 1275452991 /nfs/dbraw/zinc/45/29/91/1275452991.db2.gz XZPUQCNUWAPOGC-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCOC(=O)[C@]1(C(C)C)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001578242883 1275544474 /nfs/dbraw/zinc/54/44/74/1275544474.db2.gz QRVASEQUVNOHKL-MRXNPFEDSA-N -1 1 356.390 0.944 20 30 FCEDMM CCOC(=O)[C@]1(C(C)C)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001578242883 1275544478 /nfs/dbraw/zinc/54/44/78/1275544478.db2.gz QRVASEQUVNOHKL-MRXNPFEDSA-N -1 1 356.390 0.944 20 30 FCEDMM CCOC(=O)c1c(C)ccnc1Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001578252247 1275553821 /nfs/dbraw/zinc/55/38/21/1275553821.db2.gz QLLSOTKLILYRJR-UHFFFAOYSA-N -1 1 353.346 0.446 20 30 FCEDMM CCO[C@@H]1C[C@H](O)C12CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001578335499 1275684523 /nfs/dbraw/zinc/68/45/23/1275684523.db2.gz RNGIKALUKGRUPK-NWDGAFQWSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@@H]1C[C@H](O)C12CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001578335499 1275684533 /nfs/dbraw/zinc/68/45/33/1275684533.db2.gz RNGIKALUKGRUPK-NWDGAFQWSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001578380738 1275758437 /nfs/dbraw/zinc/75/84/37/1275758437.db2.gz ZVTYVPYRCKURKP-QJPTWQEYSA-N -1 1 371.405 0.092 20 30 FCEDMM CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001578380738 1275758442 /nfs/dbraw/zinc/75/84/42/1275758442.db2.gz ZVTYVPYRCKURKP-QJPTWQEYSA-N -1 1 371.405 0.092 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578566520 1275998148 /nfs/dbraw/zinc/99/81/48/1275998148.db2.gz SXKRICRJGHBJME-MNOVXSKESA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001578566520 1275998152 /nfs/dbraw/zinc/99/81/52/1275998152.db2.gz SXKRICRJGHBJME-MNOVXSKESA-N -1 1 355.406 0.416 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578567962 1275999378 /nfs/dbraw/zinc/99/93/78/1275999378.db2.gz NKLDHVOZUWIBCK-RYUDHWBXSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578567962 1275999394 /nfs/dbraw/zinc/99/93/94/1275999394.db2.gz NKLDHVOZUWIBCK-RYUDHWBXSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001578576276 1276010502 /nfs/dbraw/zinc/01/05/02/1276010502.db2.gz AYUVHPLAZUWVJD-CMPLNLGQSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)n1 ZINC001578576276 1276010511 /nfs/dbraw/zinc/01/05/11/1276010511.db2.gz AYUVHPLAZUWVJD-CMPLNLGQSA-N -1 1 369.433 0.710 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588511 1276021680 /nfs/dbraw/zinc/02/16/80/1276021680.db2.gz IRGLZFPJVNODLD-RYUDHWBXSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001578588511 1276021687 /nfs/dbraw/zinc/02/16/87/1276021687.db2.gz IRGLZFPJVNODLD-RYUDHWBXSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)n1 ZINC001578629407 1276075423 /nfs/dbraw/zinc/07/54/23/1276075423.db2.gz XZLWAKZPMORLCL-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)n1 ZINC001578629407 1276075429 /nfs/dbraw/zinc/07/54/29/1276075429.db2.gz XZLWAKZPMORLCL-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579116981 1276788541 /nfs/dbraw/zinc/78/85/41/1276788541.db2.gz QYPHQXBDMVJLQA-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1cc(C#N)c[nH]1 ZINC001579116981 1276788553 /nfs/dbraw/zinc/78/85/53/1276788553.db2.gz QYPHQXBDMVJLQA-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579289418 1277114424 /nfs/dbraw/zinc/11/44/24/1277114424.db2.gz GXKGQOMMBFJQRJ-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579289418 1277114427 /nfs/dbraw/zinc/11/44/27/1277114427.db2.gz GXKGQOMMBFJQRJ-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)c1cc(C)cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001579476448 1277381094 /nfs/dbraw/zinc/38/10/94/1277381094.db2.gz LJCDSYPTUGPOKC-UHFFFAOYSA-N -1 1 352.314 0.809 20 30 FCEDMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001579867834 1277944306 /nfs/dbraw/zinc/94/43/06/1277944306.db2.gz MGIVLUFMHSLTNO-SZEHBUNVSA-N -1 1 362.419 0.111 20 30 FCEDMM COc1ccc2c(c1)OCCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001580050250 1277999068 /nfs/dbraw/zinc/99/90/68/1277999068.db2.gz NKVCFPSEDOROHY-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM COc1ccc2c(c1)OCCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001580050250 1277999071 /nfs/dbraw/zinc/99/90/71/1277999071.db2.gz NKVCFPSEDOROHY-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM COc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CCO2 ZINC001580050701 1277999216 /nfs/dbraw/zinc/99/92/16/1277999216.db2.gz ZFDWFWDVECCXBI-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM COc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CCO2 ZINC001580050701 1277999220 /nfs/dbraw/zinc/99/92/20/1277999220.db2.gz ZFDWFWDVECCXBI-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603189611 1287326467 /nfs/dbraw/zinc/32/64/67/1287326467.db2.gz QAUOOYRRFZFTQP-UHFFFAOYSA-N -1 1 368.445 0.779 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CSCC#N ZINC001603477136 1287384519 /nfs/dbraw/zinc/38/45/19/1287384519.db2.gz ZBGWPOSOASXGEX-SNVBAGLBSA-N -1 1 361.435 0.610 20 30 FCEDMM C[C@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CSCC#N ZINC001603477136 1287384520 /nfs/dbraw/zinc/38/45/20/1287384520.db2.gz ZBGWPOSOASXGEX-SNVBAGLBSA-N -1 1 361.435 0.610 20 30 FCEDMM Cc1noc(C)c1CN1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001581632814 1280293546 /nfs/dbraw/zinc/29/35/46/1280293546.db2.gz XBUOVKHBEZWGGQ-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM Cc1noc(C)c1CN1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001581632814 1280293555 /nfs/dbraw/zinc/29/35/55/1280293555.db2.gz XBUOVKHBEZWGGQ-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603536759 1287413718 /nfs/dbraw/zinc/41/37/18/1287413718.db2.gz XGEPXBYPGKZKJF-SECBINFHSA-N -1 1 359.394 0.878 20 30 FCEDMM C[C@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603536759 1287413724 /nfs/dbraw/zinc/41/37/24/1287413724.db2.gz XGEPXBYPGKZKJF-SECBINFHSA-N -1 1 359.394 0.878 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001603541237 1287415835 /nfs/dbraw/zinc/41/58/35/1287415835.db2.gz NXONONMHOOUYBF-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001603541237 1287415844 /nfs/dbraw/zinc/41/58/44/1287415844.db2.gz NXONONMHOOUYBF-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1-c1nn[n-]n1 ZINC001581672246 1280380799 /nfs/dbraw/zinc/38/07/99/1280380799.db2.gz IIZUXYRAGHHEDH-SNVBAGLBSA-N -1 1 369.414 0.840 20 30 FCEDMM Cn1nc(Cl)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1Cl ZINC001581824134 1280570656 /nfs/dbraw/zinc/57/06/56/1280570656.db2.gz CUOOYUYLXQKYJA-UHFFFAOYSA-N -1 1 353.133 0.754 20 30 FCEDMM Cn1nccc1[C@H](O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001581837611 1280590726 /nfs/dbraw/zinc/59/07/26/1280590726.db2.gz RKOZIZFKKSBMPR-OAHLLOKOSA-N -1 1 366.389 0.212 20 30 FCEDMM N#CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001581857956 1280607519 /nfs/dbraw/zinc/60/75/19/1280607519.db2.gz LOJZXMQFNFCQLS-UHFFFAOYSA-N -1 1 350.342 0.370 20 30 FCEDMM N#CCc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001581859807 1280610112 /nfs/dbraw/zinc/61/01/12/1280610112.db2.gz WOUHJFCUGMLYJS-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#CCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001581859807 1280610122 /nfs/dbraw/zinc/61/01/22/1280610122.db2.gz WOUHJFCUGMLYJS-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2COC[C@@H]2c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860310 1280613620 /nfs/dbraw/zinc/61/36/20/1280613620.db2.gz UUGSIOKUZYHXJM-MNOVXSKESA-N -1 1 350.342 0.830 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001581864188 1280616587 /nfs/dbraw/zinc/61/65/87/1280616587.db2.gz KNHDWWOTUYYJEJ-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c[nH]1 ZINC001581864188 1280616596 /nfs/dbraw/zinc/61/65/96/1280616596.db2.gz KNHDWWOTUYYJEJ-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864905 1280617986 /nfs/dbraw/zinc/61/79/86/1280617986.db2.gz VAYZKBJRUXNILA-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864905 1280617995 /nfs/dbraw/zinc/61/79/95/1280617995.db2.gz VAYZKBJRUXNILA-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581865224 1280618650 /nfs/dbraw/zinc/61/86/50/1280618650.db2.gz GBQKHPWJWSHOCH-JTQLQIEISA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581867559 1280622452 /nfs/dbraw/zinc/62/24/52/1280622452.db2.gz NFTHVUUZZFHLCV-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581867559 1280622457 /nfs/dbraw/zinc/62/24/57/1280622457.db2.gz NFTHVUUZZFHLCV-NSHDSACASA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)[nH]1 ZINC001581867407 1280622905 /nfs/dbraw/zinc/62/29/05/1280622905.db2.gz HAZSWDREKGKOIK-UHFFFAOYSA-N -1 1 364.373 0.043 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001581868011 1280624777 /nfs/dbraw/zinc/62/47/77/1280624777.db2.gz DHNVIKSJFVSADT-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001581868011 1280624782 /nfs/dbraw/zinc/62/47/82/1280624782.db2.gz DHNVIKSJFVSADT-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001581871935 1280627925 /nfs/dbraw/zinc/62/79/25/1280627925.db2.gz BDYNEGFBDVYHNJ-UHFFFAOYSA-N -1 1 356.733 0.587 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603600795 1287435639 /nfs/dbraw/zinc/43/56/39/1287435639.db2.gz BAHJPQSRUSSLFI-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603600795 1287435645 /nfs/dbraw/zinc/43/56/45/1287435645.db2.gz BAHJPQSRUSSLFI-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM N#Cc1nc(NCC[C@]2(O)C(=O)Nc3ccccc32)cnc1-c1nnn[n-]1 ZINC001581880786 1280641350 /nfs/dbraw/zinc/64/13/50/1280641350.db2.gz VOEHRXUOPJLZPM-MRXNPFEDSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1nc(NCC[C@]2(O)C(=O)Nc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581880786 1280641354 /nfs/dbraw/zinc/64/13/54/1280641354.db2.gz VOEHRXUOPJLZPM-MRXNPFEDSA-N -1 1 363.341 0.170 20 30 FCEDMM N#Cc1ncc(N2CCC(c3nncn3C3CC3)CC2)nc1-c1nn[n-]n1 ZINC001581882426 1280643694 /nfs/dbraw/zinc/64/36/94/1280643694.db2.gz YFSXDAJSOQFSHK-UHFFFAOYSA-N -1 1 363.389 0.839 20 30 FCEDMM N#Cc1ncc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882776 1280643729 /nfs/dbraw/zinc/64/37/29/1280643729.db2.gz HBVSAYVEXUWPBI-FZMZJTMJSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1ncc(N2CCC(C(=O)N3CCCC3)CC2)nc1-c1nn[n-]n1 ZINC001581882329 1280643825 /nfs/dbraw/zinc/64/38/25/1280643825.db2.gz UJVNHHZQTACCCY-UHFFFAOYSA-N -1 1 353.390 0.367 20 30 FCEDMM N#Cc1ncc(NC[C@@H](O)COc2ccc(F)c(F)c2)nc1-c1nn[n-]n1 ZINC001581882892 1280644779 /nfs/dbraw/zinc/64/47/79/1280644779.db2.gz KVTOTGIRXHDGGK-MRVPVSSYSA-N -1 1 374.311 0.658 20 30 FCEDMM N#Cc1ncc(N2CCn3c(Br)cnc3C2)nc1-c1nn[n-]n1 ZINC001581882786 1280645466 /nfs/dbraw/zinc/64/54/66/1280645466.db2.gz HILCOAAIPCRENG-UHFFFAOYSA-N -1 1 373.178 0.508 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)nc1-c1nn[n-]n1 ZINC001581883398 1280648318 /nfs/dbraw/zinc/64/83/18/1280648318.db2.gz YKLSFYWUYMWMFI-JQWIXIFHSA-N -1 1 368.357 0.450 20 30 FCEDMM N#Cc1ncn(CCNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001581885961 1280652481 /nfs/dbraw/zinc/65/24/81/1280652481.db2.gz SMJGWEJMSZHCLA-UHFFFAOYSA-N -1 1 365.770 0.261 20 30 FCEDMM O=C(C#CC1CC1)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001581912359 1280713534 /nfs/dbraw/zinc/71/35/34/1280713534.db2.gz HBXMAIPVXDBNJG-UHFFFAOYSA-N -1 1 352.402 0.911 20 30 FCEDMM O=C(C#CC1CC1)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001581912359 1280713541 /nfs/dbraw/zinc/71/35/41/1280713541.db2.gz HBXMAIPVXDBNJG-UHFFFAOYSA-N -1 1 352.402 0.911 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001581956436 1280787905 /nfs/dbraw/zinc/78/79/05/1280787905.db2.gz XJHLFSZNRKCDIU-HNNXBMFYSA-N -1 1 374.408 0.793 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001581956436 1280787909 /nfs/dbraw/zinc/78/79/09/1280787909.db2.gz XJHLFSZNRKCDIU-HNNXBMFYSA-N -1 1 374.408 0.793 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687987 1287470849 /nfs/dbraw/zinc/47/08/49/1287470849.db2.gz SFWPCCVWXIDARO-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687987 1287470850 /nfs/dbraw/zinc/47/08/50/1287470850.db2.gz SFWPCCVWXIDARO-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001603851985 1287518638 /nfs/dbraw/zinc/51/86/38/1287518638.db2.gz IOJZYYPNLBRXAL-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001603851985 1287518643 /nfs/dbraw/zinc/51/86/43/1287518643.db2.gz IOJZYYPNLBRXAL-QWRGUYRKSA-N -1 1 373.446 0.387 20 30 FCEDMM C#C[C@H](CC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001588326065 1282418288 /nfs/dbraw/zinc/41/82/88/1282418288.db2.gz DBEWLTNNVAYZCX-NWDGAFQWSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@H](CC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001588326065 1282418290 /nfs/dbraw/zinc/41/82/90/1282418290.db2.gz DBEWLTNNVAYZCX-NWDGAFQWSA-N -1 1 355.406 0.289 20 30 FCEDMM C#C[C@H](C)N(C)c1nnc(-c2ccnc3c(-c4nnn[n-]4)cnn32)n1CC ZINC001588326062 1282418638 /nfs/dbraw/zinc/41/86/38/1282418638.db2.gz CZRYLQWVZVXCMK-JTQLQIEISA-N -1 1 363.389 0.646 20 30 FCEDMM C#C[C@H](C)N(C)c1nnc(-c2ccnc3c(-c4nn[n-]n4)cnn32)n1CC ZINC001588326062 1282418644 /nfs/dbraw/zinc/41/86/44/1282418644.db2.gz CZRYLQWVZVXCMK-JTQLQIEISA-N -1 1 363.389 0.646 20 30 FCEDMM C#CCC1(C(=O)N(C)CCNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001588335136 1282426804 /nfs/dbraw/zinc/42/68/04/1282426804.db2.gz ZGIIQRQZHHXMOB-UHFFFAOYSA-N -1 1 368.445 0.923 20 30 FCEDMM C#CCC1(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCOCC1 ZINC001588334750 1282427860 /nfs/dbraw/zinc/42/78/60/1282427860.db2.gz JNLWWUXEYPBATG-UHFFFAOYSA-N -1 1 374.426 0.992 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588336369 1282429161 /nfs/dbraw/zinc/42/91/61/1282429161.db2.gz NRELCNBONGCADA-ZDUSSCGKSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588336369 1282429164 /nfs/dbraw/zinc/42/91/64/1282429164.db2.gz NRELCNBONGCADA-ZDUSSCGKSA-N -1 1 354.418 0.745 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338512 1282430241 /nfs/dbraw/zinc/43/02/41/1282430241.db2.gz DIHNBFPZWXIESA-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338512 1282430245 /nfs/dbraw/zinc/43/02/45/1282430245.db2.gz DIHNBFPZWXIESA-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001588338160 1282430344 /nfs/dbraw/zinc/43/03/44/1282430344.db2.gz AEXWKKZMLNBSQH-SFHVURJKSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001588338160 1282430350 /nfs/dbraw/zinc/43/03/50/1282430350.db2.gz AEXWKKZMLNBSQH-SFHVURJKSA-N -1 1 366.429 0.889 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588338834 1282432916 /nfs/dbraw/zinc/43/29/16/1282432916.db2.gz HPFZTTPRVXYWJW-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588338834 1282432920 /nfs/dbraw/zinc/43/29/20/1282432920.db2.gz HPFZTTPRVXYWJW-CYBMUJFWSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588340397 1282434726 /nfs/dbraw/zinc/43/47/26/1282434726.db2.gz OGWCPNQTSVPLJJ-MRVPVSSYSA-N -1 1 369.838 0.669 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001588340236 1282434982 /nfs/dbraw/zinc/43/49/82/1282434982.db2.gz JKNOMVXSGPPVNY-ZDUSSCGKSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001588340236 1282434986 /nfs/dbraw/zinc/43/49/86/1282434986.db2.gz JKNOMVXSGPPVNY-ZDUSSCGKSA-N -1 1 370.417 0.090 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001588342661 1282439080 /nfs/dbraw/zinc/43/90/80/1282439080.db2.gz PFEYRXZIRJLMCC-CHWSQXEVSA-N -1 1 354.418 0.791 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588345135 1282439606 /nfs/dbraw/zinc/43/96/06/1282439606.db2.gz RIGBTZJTKIOWNQ-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588345135 1282439610 /nfs/dbraw/zinc/43/96/10/1282439610.db2.gz RIGBTZJTKIOWNQ-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCN(CC#N)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001588350437 1282444269 /nfs/dbraw/zinc/44/42/69/1282444269.db2.gz WHUHSGGJKQUJOM-UHFFFAOYSA-N -1 1 361.369 0.450 20 30 FCEDMM C#CCN(CC#N)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001588350437 1282444273 /nfs/dbraw/zinc/44/42/73/1282444273.db2.gz WHUHSGGJKQUJOM-UHFFFAOYSA-N -1 1 361.369 0.450 20 30 FCEDMM C#CCN(CC)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1CCCOCC ZINC001588350671 1282444557 /nfs/dbraw/zinc/44/45/57/1282444557.db2.gz KRVOFONFIAQBTE-UHFFFAOYSA-N -1 1 370.421 0.734 20 30 FCEDMM C#CCN(C)c1nnc(-c2c[nH]nc2-c2nn[n-]n2)n1C[C@@H]1CCCCO1 ZINC001588349980 1282444743 /nfs/dbraw/zinc/44/47/43/1282444743.db2.gz WUNARCGYTMZLJK-NSHDSACASA-N -1 1 368.405 0.487 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588354996 1282450660 /nfs/dbraw/zinc/45/06/60/1282450660.db2.gz BPSIAINULNRJPH-QWHCGFSZSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588354996 1282450665 /nfs/dbraw/zinc/45/06/65/1282450665.db2.gz BPSIAINULNRJPH-QWHCGFSZSA-N -1 1 370.417 0.041 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588354916 1282451343 /nfs/dbraw/zinc/45/13/43/1282451343.db2.gz AAZWHPKFJCTPNN-UNXYVOJBSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588354916 1282451347 /nfs/dbraw/zinc/45/13/47/1282451347.db2.gz AAZWHPKFJCTPNN-UNXYVOJBSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588355184 1282454090 /nfs/dbraw/zinc/45/40/90/1282454090.db2.gz FXCVTAMMCVJNJL-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588355184 1282454095 /nfs/dbraw/zinc/45/40/95/1282454095.db2.gz FXCVTAMMCVJNJL-CHWSQXEVSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588355754 1282454804 /nfs/dbraw/zinc/45/48/04/1282454804.db2.gz MFZQJTQUAOASDT-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588355754 1282454811 /nfs/dbraw/zinc/45/48/11/1282454811.db2.gz MFZQJTQUAOASDT-GFCCVEGCSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588355865 1282457798 /nfs/dbraw/zinc/45/77/98/1282457798.db2.gz OKWGEQMSWGNMIH-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588355865 1282457801 /nfs/dbraw/zinc/45/78/01/1282457801.db2.gz OKWGEQMSWGNMIH-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001588356814 1282461114 /nfs/dbraw/zinc/46/11/14/1282461114.db2.gz GKGRPAUZIFCCSI-MVIFTORASA-N -1 1 361.431 0.754 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588356686 1282461345 /nfs/dbraw/zinc/46/13/45/1282461345.db2.gz DTRZPJSDBNMSFZ-MRVPVSSYSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588357283 1282465820 /nfs/dbraw/zinc/46/58/20/1282465820.db2.gz KLEZVTFJFXQVQR-JQWIXIFHSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588357283 1282465822 /nfs/dbraw/zinc/46/58/22/1282465822.db2.gz KLEZVTFJFXQVQR-JQWIXIFHSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358471 1282471100 /nfs/dbraw/zinc/47/11/00/1282471100.db2.gz XPEXJMRCUKULBU-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358471 1282471102 /nfs/dbraw/zinc/47/11/02/1282471102.db2.gz XPEXJMRCUKULBU-STQMWFEESA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588358637 1282471421 /nfs/dbraw/zinc/47/14/21/1282471421.db2.gz ULVOEDTXSCQUGQ-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588358637 1282471426 /nfs/dbraw/zinc/47/14/26/1282471426.db2.gz ULVOEDTXSCQUGQ-CHWSQXEVSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588361076 1282480058 /nfs/dbraw/zinc/48/00/58/1282480058.db2.gz CXTSBTUFZIYBKN-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588361076 1282480068 /nfs/dbraw/zinc/48/00/68/1282480068.db2.gz CXTSBTUFZIYBKN-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588361309 1282481823 /nfs/dbraw/zinc/48/18/23/1282481823.db2.gz JUGLAJMLMXRRFU-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588361309 1282481832 /nfs/dbraw/zinc/48/18/32/1282481832.db2.gz JUGLAJMLMXRRFU-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588361176 1282482211 /nfs/dbraw/zinc/48/22/11/1282482211.db2.gz GMIKVMBXLRVKHE-UHFFFAOYSA-N -1 1 369.838 0.935 20 30 FCEDMM C#CCOCCC(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588361176 1282482215 /nfs/dbraw/zinc/48/22/15/1282482215.db2.gz GMIKVMBXLRVKHE-UHFFFAOYSA-N -1 1 369.838 0.935 20 30 FCEDMM C#CCOCCC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361403 1282482400 /nfs/dbraw/zinc/48/24/00/1282482400.db2.gz LRFLKTGXMZWXAO-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361403 1282482405 /nfs/dbraw/zinc/48/24/05/1282482405.db2.gz LRFLKTGXMZWXAO-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588361847 1282483883 /nfs/dbraw/zinc/48/38/83/1282483883.db2.gz UAOAMXFOKBYSGG-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1CC ZINC001588362408 1282486850 /nfs/dbraw/zinc/48/68/50/1282486850.db2.gz DZZAGFBZFLBMRY-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1CC ZINC001588362408 1282486862 /nfs/dbraw/zinc/48/68/62/1282486862.db2.gz DZZAGFBZFLBMRY-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588362296 1282487188 /nfs/dbraw/zinc/48/71/88/1282487188.db2.gz ZFAGCVBHZCJNIF-UHFFFAOYSA-N -1 1 355.811 0.545 20 30 FCEDMM C#CCOCCC(=O)NCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588362296 1282487193 /nfs/dbraw/zinc/48/71/93/1282487193.db2.gz ZFAGCVBHZCJNIF-UHFFFAOYSA-N -1 1 355.811 0.545 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588362897 1282488376 /nfs/dbraw/zinc/48/83/76/1282488376.db2.gz XXEGRZMENXKQNI-LLVKDONJSA-N -1 1 358.406 0.176 20 30 FCEDMM C#CCOCCC(=O)N[C@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588362897 1282488386 /nfs/dbraw/zinc/48/83/86/1282488386.db2.gz XXEGRZMENXKQNI-LLVKDONJSA-N -1 1 358.406 0.176 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588362913 1282489630 /nfs/dbraw/zinc/48/96/30/1282489630.db2.gz YRCHSUZVBVOHPO-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588362913 1282489632 /nfs/dbraw/zinc/48/96/32/1282489632.db2.gz YRCHSUZVBVOHPO-QWHCGFSZSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588362702 1282489820 /nfs/dbraw/zinc/48/98/20/1282489820.db2.gz QZJOOWDPCNMFAK-BETUJISGSA-N -1 1 370.417 0.312 20 30 FCEDMM C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588362702 1282489827 /nfs/dbraw/zinc/48/98/27/1282489827.db2.gz QZJOOWDPCNMFAK-BETUJISGSA-N -1 1 370.417 0.312 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001588365084 1282490699 /nfs/dbraw/zinc/49/06/99/1282490699.db2.gz RNCHIFGTZWZJMM-GFCCVEGCSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001588365084 1282490705 /nfs/dbraw/zinc/49/07/05/1282490705.db2.gz RNCHIFGTZWZJMM-GFCCVEGCSA-N -1 1 361.369 0.360 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001588364505 1282491408 /nfs/dbraw/zinc/49/14/08/1282491408.db2.gz HNDQAMWGLUSLCI-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001588364505 1282491414 /nfs/dbraw/zinc/49/14/14/1282491414.db2.gz HNDQAMWGLUSLCI-GHMZBOCLSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001588380866 1282496945 /nfs/dbraw/zinc/49/69/45/1282496945.db2.gz OJBMWECPRWWJSI-ZDUSSCGKSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001588380866 1282496951 /nfs/dbraw/zinc/49/69/51/1282496951.db2.gz OJBMWECPRWWJSI-ZDUSSCGKSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001588381073 1282498329 /nfs/dbraw/zinc/49/83/29/1282498329.db2.gz SLYWYGQTYZRARE-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NC[C@H](CC)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001588381073 1282498335 /nfs/dbraw/zinc/49/83/35/1282498335.db2.gz SLYWYGQTYZRARE-ZDUSSCGKSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)OCC ZINC001588403079 1282499988 /nfs/dbraw/zinc/49/99/88/1282499988.db2.gz UHCMXSCJAUKSSG-AWEZNQCLSA-N -1 1 374.449 0.889 20 30 FCEDMM C=C(C)[C@H](CC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)OCC ZINC001588403079 1282499994 /nfs/dbraw/zinc/49/99/94/1282499994.db2.gz UHCMXSCJAUKSSG-AWEZNQCLSA-N -1 1 374.449 0.889 20 30 FCEDMM C=C(C)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(=O)OCC ZINC001588409030 1282503478 /nfs/dbraw/zinc/50/34/78/1282503478.db2.gz ABVGWMLOTUULKZ-SNVBAGLBSA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588411599 1282503498 /nfs/dbraw/zinc/50/34/98/1282503498.db2.gz FHUQPMRDFPXLCG-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=C(C)CCC(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588411599 1282503509 /nfs/dbraw/zinc/50/35/09/1282503509.db2.gz FHUQPMRDFPXLCG-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001588443585 1282508657 /nfs/dbraw/zinc/50/86/57/1282508657.db2.gz UZICNJJAZPLDQO-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001588443585 1282508669 /nfs/dbraw/zinc/50/86/69/1282508669.db2.gz UZICNJJAZPLDQO-WFASDCNBSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588443441 1282509636 /nfs/dbraw/zinc/50/96/36/1282509636.db2.gz RCUQYWRKFFQXAK-HUBLWGQQSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588443441 1282509645 /nfs/dbraw/zinc/50/96/45/1282509645.db2.gz RCUQYWRKFFQXAK-HUBLWGQQSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588461329 1282512374 /nfs/dbraw/zinc/51/23/74/1282512374.db2.gz NJABYWZVHSMSSQ-ZDUSSCGKSA-N -1 1 372.433 0.601 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588461329 1282512382 /nfs/dbraw/zinc/51/23/82/1282512382.db2.gz NJABYWZVHSMSSQ-ZDUSSCGKSA-N -1 1 372.433 0.601 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588474263 1282512945 /nfs/dbraw/zinc/51/29/45/1282512945.db2.gz AOPMJQLCJTZPBW-GFCCVEGCSA-N -1 1 372.433 0.817 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588474263 1282512955 /nfs/dbraw/zinc/51/29/55/1282512955.db2.gz AOPMJQLCJTZPBW-GFCCVEGCSA-N -1 1 372.433 0.817 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588469253 1282512969 /nfs/dbraw/zinc/51/29/69/1282512969.db2.gz ZMPQMIXJYFPPAB-NSHDSACASA-N -1 1 360.422 0.124 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588469253 1282512977 /nfs/dbraw/zinc/51/29/77/1282512977.db2.gz ZMPQMIXJYFPPAB-NSHDSACASA-N -1 1 360.422 0.124 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588467775 1282513567 /nfs/dbraw/zinc/51/35/67/1282513567.db2.gz DEGVVBQKYANWDT-UHFFFAOYSA-N -1 1 360.422 0.756 20 30 FCEDMM C=CC(C)(C)C(=O)N(C)CCOCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588467775 1282513577 /nfs/dbraw/zinc/51/35/77/1282513577.db2.gz DEGVVBQKYANWDT-UHFFFAOYSA-N -1 1 360.422 0.756 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588474274 1282513729 /nfs/dbraw/zinc/51/37/29/1282513729.db2.gz AOPMJQLCJTZPBW-LBPRGKRZSA-N -1 1 372.433 0.817 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588474274 1282513736 /nfs/dbraw/zinc/51/37/36/1282513736.db2.gz AOPMJQLCJTZPBW-LBPRGKRZSA-N -1 1 372.433 0.817 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588475531 1282515576 /nfs/dbraw/zinc/51/55/76/1282515576.db2.gz MMWOGHMONDSVKU-DGCLKSJQSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588475531 1282515588 /nfs/dbraw/zinc/51/55/88/1282515588.db2.gz MMWOGHMONDSVKU-DGCLKSJQSA-N -1 1 372.433 0.897 20 30 FCEDMM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001588475051 1282516341 /nfs/dbraw/zinc/51/63/41/1282516341.db2.gz LTELGBKJSLQWEZ-UHFFFAOYSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001588475051 1282516356 /nfs/dbraw/zinc/51/63/56/1282516356.db2.gz LTELGBKJSLQWEZ-UHFFFAOYSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588475084 1282516719 /nfs/dbraw/zinc/51/67/19/1282516719.db2.gz MHGWXOVTASGOFC-JTQLQIEISA-N -1 1 360.422 0.320 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588475084 1282516723 /nfs/dbraw/zinc/51/67/23/1282516723.db2.gz MHGWXOVTASGOFC-JTQLQIEISA-N -1 1 360.422 0.320 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001588495264 1282524240 /nfs/dbraw/zinc/52/42/40/1282524240.db2.gz APYAIVPHGQVTNS-NFMUPSJXSA-N -1 1 354.418 0.810 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001588495264 1282524248 /nfs/dbraw/zinc/52/42/48/1282524248.db2.gz APYAIVPHGQVTNS-NFMUPSJXSA-N -1 1 354.418 0.810 20 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C=C[C@](C)(O)CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588498571 1282528077 /nfs/dbraw/zinc/52/80/77/1282528077.db2.gz BQVNWOUEHYIYNF-ZBEGNZNMSA-N -1 1 358.406 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588500230 1282532338 /nfs/dbraw/zinc/53/23/38/1282532338.db2.gz SZXPSYSIVPSZTG-BZNIZROVSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588500230 1282532344 /nfs/dbraw/zinc/53/23/44/1282532344.db2.gz SZXPSYSIVPSZTG-BZNIZROVSA-N -1 1 358.406 0.305 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588500870 1282533522 /nfs/dbraw/zinc/53/35/22/1282533522.db2.gz FUBKKRHZFBUYLE-MEDUHNTESA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H](CC)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588500870 1282533529 /nfs/dbraw/zinc/53/35/29/1282533529.db2.gz FUBKKRHZFBUYLE-MEDUHNTESA-N -1 1 360.422 0.599 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)CC(C)C ZINC001588501091 1282534352 /nfs/dbraw/zinc/53/43/52/1282534352.db2.gz JJEXVOYUKNIKAN-SJCJKPOMSA-N -1 1 374.449 0.349 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588501678 1282536821 /nfs/dbraw/zinc/53/68/21/1282536821.db2.gz NYEUEADGZUUBRV-JKDFXYPNSA-N -1 1 370.417 0.021 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588501819 1282537155 /nfs/dbraw/zinc/53/71/55/1282537155.db2.gz ONDFGYHYFWBUQU-SJCJKPOMSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588501819 1282537162 /nfs/dbraw/zinc/53/71/62/1282537162.db2.gz ONDFGYHYFWBUQU-SJCJKPOMSA-N -1 1 372.433 0.459 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588501305 1282538266 /nfs/dbraw/zinc/53/82/66/1282538266.db2.gz MAXRFHRZPOWGJM-GTNSWQLSSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588501305 1282538279 /nfs/dbraw/zinc/53/82/79/1282538279.db2.gz MAXRFHRZPOWGJM-GTNSWQLSSA-N -1 1 372.433 0.241 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588502530 1282541432 /nfs/dbraw/zinc/54/14/32/1282541432.db2.gz SXSUPTOTSAHBTH-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588502530 1282541444 /nfs/dbraw/zinc/54/14/44/1282541444.db2.gz SXSUPTOTSAHBTH-YVEFUNNKSA-N -1 1 372.433 0.411 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588503358 1282541555 /nfs/dbraw/zinc/54/15/55/1282541555.db2.gz XVBKDOZUMYECLU-DIFFPNOSSA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588503358 1282541563 /nfs/dbraw/zinc/54/15/63/1282541563.db2.gz XVBKDOZUMYECLU-DIFFPNOSSA-N -1 1 374.449 0.487 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588503720 1282544192 /nfs/dbraw/zinc/54/41/92/1282544192.db2.gz DSDJRGUIPURYHH-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588503720 1282544200 /nfs/dbraw/zinc/54/42/00/1282544200.db2.gz DSDJRGUIPURYHH-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588505897 1282548094 /nfs/dbraw/zinc/54/80/94/1282548094.db2.gz ZHOVECWGKAIQBM-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588505897 1282548103 /nfs/dbraw/zinc/54/81/03/1282548103.db2.gz ZHOVECWGKAIQBM-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588507940 1282550029 /nfs/dbraw/zinc/55/00/29/1282550029.db2.gz MUMZJQUTPSHLEU-JKDFXYPNSA-N -1 1 372.433 0.457 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1OC ZINC001588522491 1282555052 /nfs/dbraw/zinc/55/50/52/1282555052.db2.gz ABPKPFXNXJNVGT-IACUBPJLSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1OC ZINC001588522491 1282555061 /nfs/dbraw/zinc/55/50/61/1282555061.db2.gz ABPKPFXNXJNVGT-IACUBPJLSA-N -1 1 372.433 0.579 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588525094 1282558217 /nfs/dbraw/zinc/55/82/17/1282558217.db2.gz VKWKBURIBBAZAD-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588525094 1282558225 /nfs/dbraw/zinc/55/82/25/1282558225.db2.gz VKWKBURIBBAZAD-PXAZEXFGSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588532722 1282562579 /nfs/dbraw/zinc/56/25/79/1282562579.db2.gz CWMQHZFSMCNDDY-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588532722 1282562584 /nfs/dbraw/zinc/56/25/84/1282562584.db2.gz CWMQHZFSMCNDDY-QGZVFWFLSA-N -1 1 372.433 0.316 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001588552484 1282565782 /nfs/dbraw/zinc/56/57/82/1282565782.db2.gz XYVXDCQMPCIBLJ-LBPRGKRZSA-N -1 1 356.434 0.989 20 30 FCEDMM C=CCC1(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CCOCC1 ZINC001588552208 1282566141 /nfs/dbraw/zinc/56/61/41/1282566141.db2.gz RXCNJNSNZKMPGG-GFCCVEGCSA-N -1 1 372.433 0.368 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCC1 ZINC001588556088 1282567394 /nfs/dbraw/zinc/56/73/94/1282567394.db2.gz CMVONYMNHZDDNW-ITGUQSILSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CCC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCC1 ZINC001588556088 1282567403 /nfs/dbraw/zinc/56/74/03/1282567403.db2.gz CMVONYMNHZDDNW-ITGUQSILSA-N -1 1 366.429 0.954 20 30 FCEDMM C=CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588572072 1282569043 /nfs/dbraw/zinc/56/90/43/1282569043.db2.gz XRTRMFWFVDNOAW-AAEUAGOBSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588572072 1282569054 /nfs/dbraw/zinc/56/90/54/1282569054.db2.gz XRTRMFWFVDNOAW-AAEUAGOBSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588582254 1282575217 /nfs/dbraw/zinc/57/52/17/1282575217.db2.gz IIOHKMGIXOBRAX-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588582254 1282575226 /nfs/dbraw/zinc/57/52/26/1282575226.db2.gz IIOHKMGIXOBRAX-GFCCVEGCSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588582257 1282576119 /nfs/dbraw/zinc/57/61/19/1282576119.db2.gz IIOHKMGIXOBRAX-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588582257 1282576127 /nfs/dbraw/zinc/57/61/27/1282576127.db2.gz IIOHKMGIXOBRAX-LBPRGKRZSA-N -1 1 360.422 0.269 20 30 FCEDMM C=CCCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588586522 1282576422 /nfs/dbraw/zinc/57/64/22/1282576422.db2.gz JAVHBRWBTMAAHT-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588586522 1282576429 /nfs/dbraw/zinc/57/64/29/1282576429.db2.gz JAVHBRWBTMAAHT-UHFFFAOYSA-N -1 1 372.433 0.461 20 30 FCEDMM C=CCCC[C@@H](C)NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001588593765 1282578244 /nfs/dbraw/zinc/57/82/44/1282578244.db2.gz FTBMHKXLYGQWTA-SNVBAGLBSA-N -1 1 362.394 0.173 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588608223 1282579739 /nfs/dbraw/zinc/57/97/39/1282579739.db2.gz HVICHZLWDWHAGL-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588608223 1282579752 /nfs/dbraw/zinc/57/97/52/1282579752.db2.gz HVICHZLWDWHAGL-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588608213 1282580512 /nfs/dbraw/zinc/58/05/12/1282580512.db2.gz HRDGADSPGWIDEO-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588608213 1282580524 /nfs/dbraw/zinc/58/05/24/1282580524.db2.gz HRDGADSPGWIDEO-SJCJKPOMSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588608334 1282584750 /nfs/dbraw/zinc/58/47/50/1282584750.db2.gz KAPLHLSLJGQELN-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588608334 1282584760 /nfs/dbraw/zinc/58/47/60/1282584760.db2.gz KAPLHLSLJGQELN-QWHCGFSZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001588608787 1282585390 /nfs/dbraw/zinc/58/53/90/1282585390.db2.gz QLGSSNMDVOOGKT-AVGNSLFASA-N -1 1 370.417 0.427 20 30 FCEDMM 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CC(C)C#CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001589384469 1282859632 /nfs/dbraw/zinc/85/96/32/1282859632.db2.gz GZZSBWRILCEFBV-STQMWFEESA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001589387321 1282865258 /nfs/dbraw/zinc/86/52/58/1282865258.db2.gz KRXQUXZKGCZZJB-RDTXWAMCSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001589387321 1282865273 /nfs/dbraw/zinc/86/52/73/1282865273.db2.gz KRXQUXZKGCZZJB-RDTXWAMCSA-N -1 1 366.429 0.934 20 30 FCEDMM CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589397219 1282871094 /nfs/dbraw/zinc/87/10/94/1282871094.db2.gz HELLLCDDNAINDT-JTQLQIEISA-N -1 1 357.378 0.437 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001589394232 1282871259 /nfs/dbraw/zinc/87/12/59/1282871259.db2.gz ZBXVCVHPAVNVGW-UGSOOPFHSA-N -1 1 366.429 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001589394232 1282871265 /nfs/dbraw/zinc/87/12/65/1282871265.db2.gz ZBXVCVHPAVNVGW-UGSOOPFHSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1nccnc1-c1nnn[n-]1 ZINC001589798614 1283013798 /nfs/dbraw/zinc/01/37/98/1283013798.db2.gz JRDWWHLDVLFVDS-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)CSCC#N)Nc1nccnc1-c1nn[n-]n1 ZINC001589798614 1283013808 /nfs/dbraw/zinc/01/38/08/1283013808.db2.gz JRDWWHLDVLFVDS-VHSXEESVSA-N -1 1 361.435 0.609 20 30 FCEDMM C[C@H](Cc1c(F)cccc1F)NC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001589890022 1283111208 /nfs/dbraw/zinc/11/12/08/1283111208.db2.gz MKPNTDKGTHDJRT-SECBINFHSA-N -1 1 372.339 0.960 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590174766 1283277090 /nfs/dbraw/zinc/27/70/90/1283277090.db2.gz GMPZODGPCPLTOZ-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590174766 1283277099 /nfs/dbraw/zinc/27/70/99/1283277099.db2.gz GMPZODGPCPLTOZ-NXEZZACHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CSCC#N ZINC001590175435 1283279482 /nfs/dbraw/zinc/27/94/82/1283279482.db2.gz QITZNHDHRYXNSL-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CSCC#N ZINC001590175435 1283279490 /nfs/dbraw/zinc/27/94/90/1283279490.db2.gz QITZNHDHRYXNSL-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001590255883 1283378888 /nfs/dbraw/zinc/37/88/88/1283378888.db2.gz YKYMIAQXAREPJZ-DGCLKSJQSA-N -1 1 358.406 0.646 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001590264747 1283387948 /nfs/dbraw/zinc/38/79/48/1283387948.db2.gz BHKIHGJUKBPWED-GXTWGEPZSA-N -1 1 366.429 0.389 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590266863 1283393885 /nfs/dbraw/zinc/39/38/85/1283393885.db2.gz XGLHIBINPGOGGX-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590266863 1283393895 /nfs/dbraw/zinc/39/38/95/1283393895.db2.gz XGLHIBINPGOGGX-JSGCOSHPSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590284263 1283410943 /nfs/dbraw/zinc/41/09/43/1283410943.db2.gz QZOLQUFWLRPBFZ-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590284263 1283410946 /nfs/dbraw/zinc/41/09/46/1283410946.db2.gz QZOLQUFWLRPBFZ-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590291254 1283422074 /nfs/dbraw/zinc/42/20/74/1283422074.db2.gz BFUHUFQUUNQAIL-GXSJLCMTSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590291254 1283422080 /nfs/dbraw/zinc/42/20/80/1283422080.db2.gz BFUHUFQUUNQAIL-GXSJLCMTSA-N -1 1 359.419 0.172 20 30 FCEDMM CC[C@@H](CC#N)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001590419121 1283532936 /nfs/dbraw/zinc/53/29/36/1283532936.db2.gz CXBUIYAHMRCNRX-QMMMGPOBSA-N -1 1 351.348 0.745 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001590906539 1283958321 /nfs/dbraw/zinc/95/83/21/1283958321.db2.gz PBFNAVSVOBCKLB-ZDUSSCGKSA-N -1 1 368.445 0.964 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)C#CC(C)C)C2)n1 ZINC001590906539 1283958333 /nfs/dbraw/zinc/95/83/33/1283958333.db2.gz PBFNAVSVOBCKLB-ZDUSSCGKSA-N -1 1 368.445 0.964 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Cl)cc(C#N)c2)c1=O ZINC001590949938 1283998076 /nfs/dbraw/zinc/99/80/76/1283998076.db2.gz QRXPGCKBNPPKLD-UHFFFAOYSA-N -1 1 357.761 0.783 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001590971917 1284031071 /nfs/dbraw/zinc/03/10/71/1284031071.db2.gz JUVOSKNWGIJFHC-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001590971917 1284031078 /nfs/dbraw/zinc/03/10/78/1284031078.db2.gz JUVOSKNWGIJFHC-GFCCVEGCSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)C#CC1CC1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590972166 1284033962 /nfs/dbraw/zinc/03/39/62/1284033962.db2.gz NIBUDHKOMCWOML-UHFFFAOYSA-N -1 1 366.429 0.674 20 30 FCEDMM CN(Cc1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001591146242 1284216573 /nfs/dbraw/zinc/21/65/73/1284216573.db2.gz PSCQFYGYIGJXLW-UHFFFAOYSA-N -1 1 352.362 0.171 20 30 FCEDMM CN(Cc1cnn(-c2ccccc2)n1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591152296 1284223201 /nfs/dbraw/zinc/22/32/01/1284223201.db2.gz ROEKTFXLRCCAMF-UHFFFAOYSA-N -1 1 359.357 0.745 20 30 FCEDMM CN1C[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c2ccccc2C1=O ZINC001591168314 1284249708 /nfs/dbraw/zinc/24/97/08/1284249708.db2.gz JPGGDIQMOJLMHE-SNVBAGLBSA-N -1 1 363.341 0.269 20 30 FCEDMM COC(=O)CCN(CC#N)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001591265222 1284422900 /nfs/dbraw/zinc/42/29/00/1284422900.db2.gz RRMZQAZHXZQTOM-UHFFFAOYSA-N -1 1 368.350 0.083 20 30 FCEDMM COC12CCC(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)(CC1)C(=O)C2 ZINC001591346522 1284483045 /nfs/dbraw/zinc/48/30/45/1284483045.db2.gz WPKJXYQBUNFZDY-UHFFFAOYSA-N -1 1 356.346 0.318 20 30 FCEDMM COc1cc(OC)c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1OC ZINC001591548920 1284727891 /nfs/dbraw/zinc/72/78/91/1284727891.db2.gz PERCUAQYQCXULZ-UHFFFAOYSA-N -1 1 370.329 0.740 20 30 FCEDMM COc1ccc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)cc1 ZINC001591607888 1284768817 /nfs/dbraw/zinc/76/88/17/1284768817.db2.gz WUJPMXUDZOXRSN-UHFFFAOYSA-N -1 1 363.385 0.864 20 30 FCEDMM COc1ccc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)cc1 ZINC001591607888 1284768826 /nfs/dbraw/zinc/76/88/26/1284768826.db2.gz WUJPMXUDZOXRSN-UHFFFAOYSA-N -1 1 363.385 0.864 20 30 FCEDMM COc1cccc([C@H](OC)C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591637515 1284776461 /nfs/dbraw/zinc/77/64/61/1284776461.db2.gz MWZAQOWTKDORKA-LBPRGKRZSA-N -1 1 354.330 0.796 20 30 FCEDMM COc1ccccc1CN(C)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001591652734 1284782248 /nfs/dbraw/zinc/78/22/48/1284782248.db2.gz DGLNYYVLSVYMIX-UHFFFAOYSA-N -1 1 367.373 0.184 20 30 FCEDMM COc1ncc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC001591662682 1284790959 /nfs/dbraw/zinc/79/09/59/1284790959.db2.gz AUUGQFCAQWAIJG-UHFFFAOYSA-N -1 1 364.321 0.989 20 30 FCEDMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)CSCC#N ZINC001591747799 1284871908 /nfs/dbraw/zinc/87/19/08/1284871908.db2.gz AWOPHJMIJCGKSB-GHMZBOCLSA-N -1 1 373.446 0.102 20 30 FCEDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)CSCC#N ZINC001591747799 1284871912 /nfs/dbraw/zinc/87/19/12/1284871912.db2.gz AWOPHJMIJCGKSB-GHMZBOCLSA-N -1 1 373.446 0.102 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)CSCC#N)C2)n1 ZINC001591886185 1284975532 /nfs/dbraw/zinc/97/55/32/1284975532.db2.gz IQDUHADVVWXUFO-NSHDSACASA-N -1 1 373.446 0.259 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)CSCC#N)C2)n1 ZINC001591886185 1284975542 /nfs/dbraw/zinc/97/55/42/1284975542.db2.gz IQDUHADVVWXUFO-NSHDSACASA-N -1 1 373.446 0.259 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001591889314 1284981222 /nfs/dbraw/zinc/98/12/22/1284981222.db2.gz QIEMUJVJZAARDA-DDTOSNHZSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001591889314 1284981232 /nfs/dbraw/zinc/98/12/32/1284981232.db2.gz QIEMUJVJZAARDA-DDTOSNHZSA-N -1 1 367.417 0.695 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)C#CC(C)C)C2)n1 ZINC001591895159 1284983744 /nfs/dbraw/zinc/98/37/44/1284983744.db2.gz VHXIWZFUQIVRDC-UHFFFAOYSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)C#CC(C)C)C2)n1 ZINC001591895159 1284983749 /nfs/dbraw/zinc/98/37/49/1284983749.db2.gz VHXIWZFUQIVRDC-UHFFFAOYSA-N -1 1 354.418 0.931 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001591894100 1284984399 /nfs/dbraw/zinc/98/43/99/1284984399.db2.gz YZGGTEHWWUGOEU-QMTHXVAHSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001591894100 1284984409 /nfs/dbraw/zinc/98/44/09/1284984409.db2.gz YZGGTEHWWUGOEU-QMTHXVAHSA-N -1 1 352.402 0.637 20 30 FCEDMM CN(CCCNc1nccnc1-c1nnn[n-]1)C(=O)c1ccc(C#N)[nH]1 ZINC001604755706 1287765776 /nfs/dbraw/zinc/76/57/76/1287765776.db2.gz MCOZPWYLSSPJBL-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1nccnc1-c1nn[n-]n1)C(=O)c1ccc(C#N)[nH]1 ZINC001604755706 1287765779 /nfs/dbraw/zinc/76/57/79/1287765779.db2.gz MCOZPWYLSSPJBL-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001592334659 1285244117 /nfs/dbraw/zinc/24/41/17/1285244117.db2.gz DBLRXUJPWDQIEP-GFCCVEGCSA-N -1 1 364.369 0.883 20 30 FCEDMM Cc1ncc(S(=O)(=O)Oc2ccc(F)nc2-c2nn[n-]n2)cc1C#N ZINC001592412025 1285326968 /nfs/dbraw/zinc/32/69/68/1285326968.db2.gz AOWLIYWOFPBZLF-UHFFFAOYSA-N -1 1 361.318 0.744 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3cccnc3-c3nnn[n-]3)CC2)c1C#N ZINC001592443349 1285380028 /nfs/dbraw/zinc/38/00/28/1285380028.db2.gz ZTZLIKIEKHXMPP-UHFFFAOYSA-N -1 1 350.390 0.502 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3cccnc3-c3nn[n-]n3)CC2)c1C#N ZINC001592443349 1285380035 /nfs/dbraw/zinc/38/00/35/1285380035.db2.gz ZTZLIKIEKHXMPP-UHFFFAOYSA-N -1 1 350.390 0.502 20 30 FCEDMM Cc1oc(NC(=O)CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001592509296 1285434136 /nfs/dbraw/zinc/43/41/36/1285434136.db2.gz BXNSNNNCKXVMDC-QWRGUYRKSA-N -1 1 372.433 0.933 20 30 FCEDMM N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592676935 1285569466 /nfs/dbraw/zinc/56/94/66/1285569466.db2.gz KQUNTNNFQWYTQB-UHFFFAOYSA-N -1 1 359.371 0.959 20 30 FCEDMM N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001592676024 1285570330 /nfs/dbraw/zinc/57/03/30/1285570330.db2.gz ZPUOWDHRNZFGFE-CYBMUJFWSA-N -1 1 368.806 0.559 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592679388 1285577278 /nfs/dbraw/zinc/57/72/78/1285577278.db2.gz PDCBFDYUHUIYOT-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592679388 1285577285 /nfs/dbraw/zinc/57/72/85/1285577285.db2.gz PDCBFDYUHUIYOT-MNOVXSKESA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592680459 1285578834 /nfs/dbraw/zinc/57/88/34/1285578834.db2.gz OFNPOVTUBVIKNK-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592680459 1285578840 /nfs/dbraw/zinc/57/88/40/1285578840.db2.gz OFNPOVTUBVIKNK-LLVKDONJSA-N -1 1 373.446 0.706 20 30 FCEDMM N#CCSCC(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592679635 1285579078 /nfs/dbraw/zinc/57/90/78/1285579078.db2.gz XDDFKXXXIYFQPU-UHFFFAOYSA-N -1 1 358.840 0.761 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2cc3cc(F)ccc3[nH]c2=O)nc1-c1nn[nH]n1 ZINC001592682322 1285580950 /nfs/dbraw/zinc/58/09/50/1285580950.db2.gz WJXQVAVEEJLHKB-UHFFFAOYSA-N -1 1 365.288 0.694 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCCS(=O)(=O)c1ccccc1 ZINC001592683849 1285582153 /nfs/dbraw/zinc/58/21/53/1285582153.db2.gz CEOYJBPJWGBWRW-UHFFFAOYSA-N -1 1 358.387 0.381 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC001592684102 1285583911 /nfs/dbraw/zinc/58/39/11/1285583911.db2.gz NQNLVDGZQCFERQ-UHFFFAOYSA-N -1 1 368.748 0.227 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001592687775 1285584156 /nfs/dbraw/zinc/58/41/56/1285584156.db2.gz FLXMIPURBQMKSK-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001592687775 1285584159 /nfs/dbraw/zinc/58/41/59/1285584159.db2.gz FLXMIPURBQMKSK-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C2 ZINC001592697886 1285587978 /nfs/dbraw/zinc/58/79/78/1285587978.db2.gz WRLWTGUMQUUDRR-ZDUSSCGKSA-N -1 1 367.394 0.579 20 30 FCEDMM N#Cc1csc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC001592706214 1285593090 /nfs/dbraw/zinc/59/30/90/1285593090.db2.gz OOCQBCOVUOAVDH-UHFFFAOYSA-N -1 1 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C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602844025 1287132330 /nfs/dbraw/zinc/13/23/30/1287132330.db2.gz GHUWSXIKOIANBV-CHWSQXEVSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001602843915 1287132374 /nfs/dbraw/zinc/13/23/74/1287132374.db2.gz BUKMKUOMRNSJBL-LBPRGKRZSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001602843915 1287132375 /nfs/dbraw/zinc/13/23/75/1287132375.db2.gz BUKMKUOMRNSJBL-LBPRGKRZSA-N -1 1 372.433 0.825 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602843842 1287132380 /nfs/dbraw/zinc/13/23/80/1287132380.db2.gz AHJOCMSXDSWFRK-QWHCGFSZSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602843842 1287132382 /nfs/dbraw/zinc/13/23/82/1287132382.db2.gz AHJOCMSXDSWFRK-QWHCGFSZSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602843944 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0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573286884 946820533 /nfs/dbraw/zinc/82/05/33/946820533.db2.gz JOUYBNLSQQOCBR-CHWSQXEVSA-N -1 1 370.417 0.028 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001573287949 946852845 /nfs/dbraw/zinc/85/28/45/946852845.db2.gz MHVAGRHGZIAEKM-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001573287949 946852850 /nfs/dbraw/zinc/85/28/50/946852850.db2.gz MHVAGRHGZIAEKM-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573288476 946867820 /nfs/dbraw/zinc/86/78/20/946867820.db2.gz USBOXCSBCPJHHR-KRWDZBQOSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573288476 946867829 /nfs/dbraw/zinc/86/78/29/946867829.db2.gz USBOXCSBCPJHHR-KRWDZBQOSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573290303 946903555 /nfs/dbraw/zinc/90/35/55/946903555.db2.gz VOVIBFBEAGQADN-JOCQHMNTSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573290303 946903561 /nfs/dbraw/zinc/90/35/61/946903561.db2.gz VOVIBFBEAGQADN-JOCQHMNTSA-N -1 1 370.417 0.536 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573290726 946910896 /nfs/dbraw/zinc/91/08/96/946910896.db2.gz OHSPTLAXJQHCLP-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573290726 946910902 /nfs/dbraw/zinc/91/09/02/946910902.db2.gz OHSPTLAXJQHCLP-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573291431 946919940 /nfs/dbraw/zinc/91/99/40/946919940.db2.gz CNCDEYKRAHRJAH-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573291431 946919944 /nfs/dbraw/zinc/91/99/44/946919944.db2.gz CNCDEYKRAHRJAH-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)NCCNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001573292248 946930388 /nfs/dbraw/zinc/93/03/88/946930388.db2.gz QTKGFDPLBAXQTM-UHFFFAOYSA-N -1 1 354.399 0.850 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1O ZINC001573292946 946944187 /nfs/dbraw/zinc/94/41/87/946944187.db2.gz HRDNDAJYAKXCFW-VXGBXAGGSA-N -1 1 372.433 0.315 20 30 FCEDMM C[C@H](C#N)C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573560436 946951223 /nfs/dbraw/zinc/95/12/23/946951223.db2.gz CNKJVKRUIDAWDO-SSDOTTSWSA-N -1 1 370.826 0.369 20 30 FCEDMM C[C@@H](C#N)C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573560437 946952361 /nfs/dbraw/zinc/95/23/61/946952361.db2.gz CNKJVKRUIDAWDO-ZETCQYMHSA-N -1 1 370.826 0.369 20 30 FCEDMM CC(C)[C@H](CCN(C)C(=O)[C@H](C)C#N)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573560497 946953535 /nfs/dbraw/zinc/95/35/35/946953535.db2.gz CVRQIANTNROPAN-NEPJUHHUSA-N -1 1 357.422 0.523 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573293352 946955296 /nfs/dbraw/zinc/95/52/96/946955296.db2.gz TUWOISQNQKPHNX-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573293352 946955303 /nfs/dbraw/zinc/95/53/03/946955303.db2.gz TUWOISQNQKPHNX-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC000824937791 946999754 /nfs/dbraw/zinc/99/97/54/946999754.db2.gz RGUUJXGVKMTWPJ-NXEZZACHSA-N -1 1 357.378 0.339 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573565266 947005671 /nfs/dbraw/zinc/00/56/71/947005671.db2.gz PPONEGPQSXQNRG-NSHDSACASA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573565266 947005683 /nfs/dbraw/zinc/00/56/83/947005683.db2.gz PPONEGPQSXQNRG-NSHDSACASA-N -1 1 355.406 0.491 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573565682 947012536 /nfs/dbraw/zinc/01/25/36/947012536.db2.gz UJTJDFLGWJJFDB-QWRGUYRKSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573565682 947012546 /nfs/dbraw/zinc/01/25/46/947012546.db2.gz UJTJDFLGWJJFDB-QWRGUYRKSA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573565702 947012835 /nfs/dbraw/zinc/01/28/35/947012835.db2.gz URBGHYUAINZRPH-GHMZBOCLSA-N -1 1 355.406 0.277 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573565704 947013184 /nfs/dbraw/zinc/01/31/84/947013184.db2.gz URBGHYUAINZRPH-QWRGUYRKSA-N -1 1 355.406 0.277 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573566515 947027202 /nfs/dbraw/zinc/02/72/02/947027202.db2.gz CPHJTBKGQHQWJS-ZBEGNZNMSA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573566515 947027211 /nfs/dbraw/zinc/02/72/11/947027211.db2.gz CPHJTBKGQHQWJS-ZBEGNZNMSA-N -1 1 353.390 0.245 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573295859 947032490 /nfs/dbraw/zinc/03/24/90/947032490.db2.gz VCHISKBFSKIIJJ-XUJVJEKNSA-N -1 1 372.433 0.802 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573295859 947032506 /nfs/dbraw/zinc/03/25/06/947032506.db2.gz VCHISKBFSKIIJJ-XUJVJEKNSA-N -1 1 372.433 0.802 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573567238 947040861 /nfs/dbraw/zinc/04/08/61/947040861.db2.gz KQJANFGNYAKLBS-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573567238 947040869 /nfs/dbraw/zinc/04/08/69/947040869.db2.gz KQJANFGNYAKLBS-RYUDHWBXSA-N -1 1 355.406 0.857 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573567572 947047921 /nfs/dbraw/zinc/04/79/21/947047921.db2.gz OTVYHFSRQPSMQR-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573567572 947047934 /nfs/dbraw/zinc/04/79/34/947047934.db2.gz OTVYHFSRQPSMQR-RYUDHWBXSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573568090 947064118 /nfs/dbraw/zinc/06/41/18/947064118.db2.gz XODRNQFOEGHXPN-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573568090 947064126 /nfs/dbraw/zinc/06/41/26/947064126.db2.gz XODRNQFOEGHXPN-RYUDHWBXSA-N -1 1 355.406 0.999 20 30 FCEDMM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573569590 947073043 /nfs/dbraw/zinc/07/30/43/947073043.db2.gz BTMUDQUIWLQXOW-PEBVRCNWSA-N -1 1 367.417 0.279 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573570422 947089500 /nfs/dbraw/zinc/08/95/00/947089500.db2.gz OHWPDSQFWUXYBN-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573570422 947089522 /nfs/dbraw/zinc/08/95/22/947089522.db2.gz OHWPDSQFWUXYBN-USBNGQNGSA-N -1 1 353.390 0.101 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573570832 947095221 /nfs/dbraw/zinc/09/52/21/947095221.db2.gz UXLGQGUFLJYDPL-SSDOTTSWSA-N -1 1 352.811 0.785 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573571918 947105225 /nfs/dbraw/zinc/10/52/25/947105225.db2.gz BLFYTQFWEKKKGW-JQWIXIFHSA-N -1 1 355.406 0.903 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573571918 947105231 /nfs/dbraw/zinc/10/52/31/947105231.db2.gz BLFYTQFWEKKKGW-JQWIXIFHSA-N -1 1 355.406 0.903 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573300762 947119635 /nfs/dbraw/zinc/11/96/35/947119635.db2.gz UHOCGEFVRHLPPF-MFKMUULPSA-N -1 1 373.421 0.044 20 30 FCEDMM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573300762 947119641 /nfs/dbraw/zinc/11/96/41/947119641.db2.gz UHOCGEFVRHLPPF-MFKMUULPSA-N -1 1 373.421 0.044 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573573123 947119893 /nfs/dbraw/zinc/11/98/93/947119893.db2.gz MQKYHQGKRQMIPN-WCQYABFASA-N -1 1 369.433 0.715 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573573930 947125640 /nfs/dbraw/zinc/12/56/40/947125640.db2.gz PTRMSNSCQBQPOU-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573573930 947125652 /nfs/dbraw/zinc/12/56/52/947125652.db2.gz PTRMSNSCQBQPOU-WAAKLRNESA-N -1 1 353.390 0.432 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573574325 947128051 /nfs/dbraw/zinc/12/80/51/947128051.db2.gz RDJOOEXVEVSSOR-GDLVEWKHSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573574325 947128058 /nfs/dbraw/zinc/12/80/58/947128058.db2.gz RDJOOEXVEVSSOR-GDLVEWKHSA-N -1 1 353.390 0.434 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573575510 947138922 /nfs/dbraw/zinc/13/89/22/947138922.db2.gz ABPFMUWGNOMLCM-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573575510 947138929 /nfs/dbraw/zinc/13/89/29/947138929.db2.gz ABPFMUWGNOMLCM-NTSWFWBYSA-N -1 1 356.799 0.025 20 30 FCEDMM C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1 ZINC001602704298 971334646 /nfs/dbraw/zinc/33/46/46/971334646.db2.gz BZEJTDHZCYEWDK-CMPLNLGQSA-N -1 1 369.299 0.799 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573576028 947147436 /nfs/dbraw/zinc/14/74/36/947147436.db2.gz CTPKMZZETNVRMQ-CMPLNLGQSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573576028 947147444 /nfs/dbraw/zinc/14/74/44/947147444.db2.gz CTPKMZZETNVRMQ-CMPLNLGQSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573576031 947148324 /nfs/dbraw/zinc/14/83/24/947148324.db2.gz CTPKMZZETNVRMQ-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573576031 947148331 /nfs/dbraw/zinc/14/83/31/947148331.db2.gz CTPKMZZETNVRMQ-ZYHUDNBSSA-N -1 1 355.406 0.537 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573577189 947164405 /nfs/dbraw/zinc/16/44/05/947164405.db2.gz NDXRAJYTSQXLDA-WDSKDSINSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573577189 947164408 /nfs/dbraw/zinc/16/44/08/947164408.db2.gz NDXRAJYTSQXLDA-WDSKDSINSA-N -1 1 356.799 0.025 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573578186 947184785 /nfs/dbraw/zinc/18/47/85/947184785.db2.gz ZSNPTLGKJXHEPP-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573578186 947184789 /nfs/dbraw/zinc/18/47/89/947184789.db2.gz ZSNPTLGKJXHEPP-RYUDHWBXSA-N -1 1 369.433 0.928 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573581961 947187076 /nfs/dbraw/zinc/18/70/76/947187076.db2.gz AYUMCSKSBLRDJA-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573581961 947187081 /nfs/dbraw/zinc/18/70/81/947187081.db2.gz AYUMCSKSBLRDJA-FVCCEPFGSA-N -1 1 367.417 0.680 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001573309593 947202861 /nfs/dbraw/zinc/20/28/61/947202861.db2.gz LJRQEYZHLKMPBU-APPDUMDISA-N -1 1 372.433 0.559 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001573309593 947202875 /nfs/dbraw/zinc/20/28/75/947202875.db2.gz LJRQEYZHLKMPBU-APPDUMDISA-N -1 1 372.433 0.559 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001573310391 947222774 /nfs/dbraw/zinc/22/27/74/947222774.db2.gz XIBFSCSKFOOCGC-INIZCTEOSA-N -1 1 372.433 0.825 20 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/nfs/dbraw/zinc/88/44/82/949884482.db2.gz SIPOJYSFKBABIL-WCQYABFASA-N -1 1 352.358 0.425 20 30 FCEDMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001573831486 950002307 /nfs/dbraw/zinc/00/23/07/950002307.db2.gz ZUYGFWRJFLXCST-JTQLQIEISA-N -1 1 371.405 0.827 20 30 FCEDMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C#CC1CC1 ZINC001574155785 950210469 /nfs/dbraw/zinc/21/04/69/950210469.db2.gz ROTSTYTWSZRWIJ-CYBMUJFWSA-N -1 1 354.418 0.435 20 30 FCEDMM CC(C)(C)OC(=O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001573851222 950286641 /nfs/dbraw/zinc/28/66/41/950286641.db2.gz VBXBOWPQRIMGGZ-JTQLQIEISA-N -1 1 358.362 0.075 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001570971346 950320248 /nfs/dbraw/zinc/32/02/48/950320248.db2.gz MRJIZKSEMOCBEY-MNOVXSKESA-N -1 1 355.406 0.855 20 30 FCEDMM C[C@H](C#N)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001570971346 950320263 /nfs/dbraw/zinc/32/02/63/950320263.db2.gz MRJIZKSEMOCBEY-MNOVXSKESA-N -1 1 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Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CCCNC(=O)[C@@H](C)C#N)n1 ZINC001580668142 1278679347 /nfs/dbraw/zinc/67/93/47/1278679347.db2.gz MAZSUAPWZRQXEH-AAEUAGOBSA-N -1 1 369.433 0.990 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580677382 1278698478 /nfs/dbraw/zinc/69/84/78/1278698478.db2.gz UABGIVLFAOMNGV-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001580677382 1278698484 /nfs/dbraw/zinc/69/84/84/1278698484.db2.gz UABGIVLFAOMNGV-NSHDSACASA-N -1 1 364.373 0.174 20 30 FCEDMM CC1(C)CN=C(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)S1 ZINC001575735158 1272401976 /nfs/dbraw/zinc/40/19/76/1272401976.db2.gz BAJLXLRBIQGWRD-UHFFFAOYSA-N -1 1 370.446 0.532 20 30 FCEDMM C[C@@]1([C@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)COC(=O)N1 ZINC001575753249 1272416169 /nfs/dbraw/zinc/41/61/69/1272416169.db2.gz ZVGJSXXGNCARMG-VFZGTOFNSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@@]1(C2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)COC(=O)N1 ZINC001575753012 1272416807 /nfs/dbraw/zinc/41/68/07/1272416807.db2.gz VSLWOWZHHQWSMN-HNNXBMFYSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575834466 1272499733 /nfs/dbraw/zinc/49/97/33/1272499733.db2.gz BBFBEORBWQPXBH-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575834466 1272499737 /nfs/dbraw/zinc/49/97/37/1272499737.db2.gz BBFBEORBWQPXBH-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575835607 1272500618 /nfs/dbraw/zinc/50/06/18/1272500618.db2.gz ICICYNZRGZEVNC-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575835607 1272500632 /nfs/dbraw/zinc/50/06/32/1272500632.db2.gz ICICYNZRGZEVNC-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061276 1272803917 /nfs/dbraw/zinc/80/39/17/1272803917.db2.gz SJCKAMGKAUUNRJ-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576061276 1272803934 /nfs/dbraw/zinc/80/39/34/1272803934.db2.gz SJCKAMGKAUUNRJ-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069493 1272830113 /nfs/dbraw/zinc/83/01/13/1272830113.db2.gz PIGJALCDNKWCIH-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001576069493 1272830121 /nfs/dbraw/zinc/83/01/21/1272830121.db2.gz PIGJALCDNKWCIH-KOLCDFICSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576286484 1273099484 /nfs/dbraw/zinc/09/94/84/1273099484.db2.gz CZGDGICMIMXLFB-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576286484 1273099491 /nfs/dbraw/zinc/09/94/91/1273099491.db2.gz CZGDGICMIMXLFB-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576297603 1273111039 /nfs/dbraw/zinc/11/10/39/1273111039.db2.gz PDBKTJFANDANDT-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576297603 1273111043 /nfs/dbraw/zinc/11/10/43/1273111043.db2.gz PDBKTJFANDANDT-TVQRCGJNSA-N -1 1 364.373 0.429 20 30 FCEDMM CCC(C#N)(CC)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001576484546 1273330402 /nfs/dbraw/zinc/33/04/02/1273330402.db2.gz KVKUUSSUDNUXKE-UHFFFAOYSA-N -1 1 359.394 0.695 20 30 FCEDMM CCC(C#N)(CC)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001576484546 1273330414 /nfs/dbraw/zinc/33/04/14/1273330414.db2.gz KVKUUSSUDNUXKE-UHFFFAOYSA-N -1 1 359.394 0.695 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580727986 1278818296 /nfs/dbraw/zinc/81/82/96/1278818296.db2.gz DYDGDTQCYLXYNS-HWPZZCPQSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001580727986 1278818300 /nfs/dbraw/zinc/81/83/00/1278818300.db2.gz DYDGDTQCYLXYNS-HWPZZCPQSA-N -1 1 355.406 0.775 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576885067 1273873679 /nfs/dbraw/zinc/87/36/79/1273873679.db2.gz BMECFJILZHVRKB-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576885067 1273873686 /nfs/dbraw/zinc/87/36/86/1273873686.db2.gz BMECFJILZHVRKB-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576886080 1273877434 /nfs/dbraw/zinc/87/74/34/1273877434.db2.gz NQUDDQMQNSBVLE-JTQLQIEISA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576886080 1273877440 /nfs/dbraw/zinc/87/74/40/1273877440.db2.gz NQUDDQMQNSBVLE-JTQLQIEISA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580740681 1278843128 /nfs/dbraw/zinc/84/31/28/1278843128.db2.gz IJTZHLOYGJSAGS-JQWIXIFHSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580740681 1278843142 /nfs/dbraw/zinc/84/31/42/1278843142.db2.gz IJTZHLOYGJSAGS-JQWIXIFHSA-N -1 1 355.406 0.775 20 30 FCEDMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H](CC)CN1C(C)=O ZINC001577178243 1274228613 /nfs/dbraw/zinc/22/86/13/1274228613.db2.gz TUHLOTGTZFBTQF-VXGBXAGGSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H](CC)CN1C(C)=O ZINC001577178243 1274228619 /nfs/dbraw/zinc/22/86/19/1274228619.db2.gz TUHLOTGTZFBTQF-VXGBXAGGSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H](CC)CN1C(C)=O ZINC001577178242 1274229229 /nfs/dbraw/zinc/22/92/29/1274229229.db2.gz TUHLOTGTZFBTQF-RYUDHWBXSA-N -1 1 355.406 0.754 20 30 FCEDMM CC[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H](CC)CN1C(C)=O ZINC001577178242 1274229234 /nfs/dbraw/zinc/22/92/34/1274229234.db2.gz TUHLOTGTZFBTQF-RYUDHWBXSA-N -1 1 355.406 0.754 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577523206 1274469400 /nfs/dbraw/zinc/46/94/00/1274469400.db2.gz OOYUZXFZHLITFN-DGCLKSJQSA-N -1 1 369.433 0.942 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577523206 1274469404 /nfs/dbraw/zinc/46/94/04/1274469404.db2.gz OOYUZXFZHLITFN-DGCLKSJQSA-N -1 1 369.433 0.942 20 30 FCEDMM CCN(c1ccc(-c2nnn[n-]2)nn1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578190393 1275480088 /nfs/dbraw/zinc/48/00/88/1275480088.db2.gz IGYKUIPHQQUKJK-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1ccc(-c2nn[n-]n2)nn1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578190393 1275480090 /nfs/dbraw/zinc/48/00/90/1275480090.db2.gz IGYKUIPHQQUKJK-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cnc(-c2nnn[n-]2)cn1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578198526 1275489432 /nfs/dbraw/zinc/48/94/32/1275489432.db2.gz DYCSNCDIJIBMRU-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cnc(-c2nn[n-]n2)cn1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578198526 1275489436 /nfs/dbraw/zinc/48/94/36/1275489436.db2.gz DYCSNCDIJIBMRU-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001578578026 1276011591 /nfs/dbraw/zinc/01/15/91/1276011591.db2.gz FOSRQJWSDCAKLF-NSHDSACASA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001578578026 1276011599 /nfs/dbraw/zinc/01/15/99/1276011599.db2.gz FOSRQJWSDCAKLF-NSHDSACASA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001578588678 1276020308 /nfs/dbraw/zinc/02/03/08/1276020308.db2.gz JMYUIECEKFRSPF-WDEREUQCSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001578588678 1276020313 /nfs/dbraw/zinc/02/03/13/1276020313.db2.gz JMYUIECEKFRSPF-WDEREUQCSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588512 1276020600 /nfs/dbraw/zinc/02/06/00/1276020600.db2.gz IRGLZFPJVNODLD-VXGBXAGGSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001578588512 1276020605 /nfs/dbraw/zinc/02/06/05/1276020605.db2.gz IRGLZFPJVNODLD-VXGBXAGGSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001578598272 1276030523 /nfs/dbraw/zinc/03/05/23/1276030523.db2.gz QHRHPRWSMQSAHR-GMXVVIOVSA-N -1 1 367.417 0.416 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001578598272 1276030527 /nfs/dbraw/zinc/03/05/27/1276030527.db2.gz QHRHPRWSMQSAHR-GMXVVIOVSA-N -1 1 367.417 0.416 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001578911438 1276451104 /nfs/dbraw/zinc/45/11/04/1276451104.db2.gz CONWEMOKCSJBJA-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001578911438 1276451107 /nfs/dbraw/zinc/45/11/07/1276451107.db2.gz CONWEMOKCSJBJA-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579111808 1276773455 /nfs/dbraw/zinc/77/34/55/1276773455.db2.gz AHJUYCGXJSXSIT-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)c1cc(C#N)c[nH]1 ZINC001579111808 1276773463 /nfs/dbraw/zinc/77/34/63/1276773463.db2.gz AHJUYCGXJSXSIT-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCNc1ccc(-c2nnn[n-]2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579127765 1276810382 /nfs/dbraw/zinc/81/03/82/1276810382.db2.gz BCGNDZBNTHNMHY-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCCNc1ccc(-c2nn[n-]n2)nn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579127765 1276810394 /nfs/dbraw/zinc/81/03/94/1276810394.db2.gz BCGNDZBNTHNMHY-UHFFFAOYSA-N -1 1 352.362 0.431 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579152414 1276891310 /nfs/dbraw/zinc/89/13/10/1276891310.db2.gz ORYDXZNSBDNVNQ-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)c1c[nH]c(C#N)c1 ZINC001579152414 1276891324 /nfs/dbraw/zinc/89/13/24/1276891324.db2.gz ORYDXZNSBDNVNQ-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(Cc1ccc([S@](C)=O)cc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579253485 1277051155 /nfs/dbraw/zinc/05/11/55/1277051155.db2.gz PYWFYTFAEUJLRL-VWLOTQADSA-N -1 1 354.399 0.902 20 30 FCEDMM COC(=O)[C@@H](CC1CCOCC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579433578 1277300406 /nfs/dbraw/zinc/30/04/06/1277300406.db2.gz JZGGIGMQFKBRKV-SNVBAGLBSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)CCN(C[C@H]1CCCO1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579448017 1277336354 /nfs/dbraw/zinc/33/63/54/1277336354.db2.gz UXRPIUAKVQVXDO-SNVBAGLBSA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)CCN(C[C@H]1CCCO1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579448017 1277336364 /nfs/dbraw/zinc/33/63/64/1277336364.db2.gz UXRPIUAKVQVXDO-SNVBAGLBSA-N -1 1 358.362 0.077 20 30 FCEDMM COC(=O)Cc1ccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579452339 1277342571 /nfs/dbraw/zinc/34/25/71/1277342571.db2.gz UYIAZAHXRODVOE-UHFFFAOYSA-N -1 1 350.342 0.856 20 30 FCEDMM COC(=O)c1ccc(CN(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001579481894 1277391214 /nfs/dbraw/zinc/39/12/14/1277391214.db2.gz FXYPPNAUGISXBQ-UHFFFAOYSA-N -1 1 350.342 0.951 20 30 FCEDMM COC(=O)c1ccccc1CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579487373 1277397121 /nfs/dbraw/zinc/39/71/21/1277397121.db2.gz GFYVKEAJRUDRRW-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM COCCN(CCC(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579792524 1277914565 /nfs/dbraw/zinc/91/45/65/1277914565.db2.gz LUQMURNXZMPZHT-UHFFFAOYSA-N -1 1 374.405 0.713 20 30 FCEDMM COCCN(CCC(=O)OC(C)(C)C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579792524 1277914571 /nfs/dbraw/zinc/91/45/71/1277914571.db2.gz LUQMURNXZMPZHT-UHFFFAOYSA-N -1 1 374.405 0.713 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001603189703 1287326319 /nfs/dbraw/zinc/32/63/19/1287326319.db2.gz QRXCMDRLQWCLBG-SFHVURJKSA-N -1 1 366.429 0.745 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001603189703 1287326327 /nfs/dbraw/zinc/32/63/27/1287326327.db2.gz QRXCMDRLQWCLBG-SFHVURJKSA-N -1 1 366.429 0.745 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001603189623 1287326883 /nfs/dbraw/zinc/32/68/83/1287326883.db2.gz QOIBGKJISTWFDY-KGLIPLIRSA-N -1 1 366.429 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001603189623 1287326885 /nfs/dbraw/zinc/32/68/85/1287326885.db2.gz QOIBGKJISTWFDY-KGLIPLIRSA-N -1 1 366.429 0.743 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001603476938 1287384783 /nfs/dbraw/zinc/38/47/83/1287384783.db2.gz ITJODRIZCAPJNM-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001603476938 1287384784 /nfs/dbraw/zinc/38/47/84/1287384784.db2.gz ITJODRIZCAPJNM-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM Cn1cc([C@H]2CN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2(C)C)cn1 ZINC001581767161 1280483552 /nfs/dbraw/zinc/48/35/52/1280483552.db2.gz NOMWJWGACQDJGP-LLVKDONJSA-N -1 1 350.390 0.892 20 30 FCEDMM Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581823186 1280570802 /nfs/dbraw/zinc/57/08/02/1280570802.db2.gz KKGWLELZOZEJCU-UHFFFAOYSA-N -1 1 352.240 0.466 20 30 FCEDMM N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001581858486 1280610535 /nfs/dbraw/zinc/61/05/35/1280610535.db2.gz IJUQFCAXZNGMTD-PHIMTYICSA-N -1 1 371.430 0.093 20 30 FCEDMM N#CCSCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001581858486 1280610541 /nfs/dbraw/zinc/61/05/41/1280610541.db2.gz IJUQFCAXZNGMTD-PHIMTYICSA-N -1 1 371.430 0.093 20 30 FCEDMM N#CCSc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)cc1=O ZINC001581858792 1280611519 /nfs/dbraw/zinc/61/15/19/1280611519.db2.gz WFJRVIQOGYSECY-UHFFFAOYSA-N -1 1 368.382 0.678 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2COC[C@H]2c2ccccc2)nc1-c1nn[nH]n1 ZINC001581860312 1280613185 /nfs/dbraw/zinc/61/31/85/1280613185.db2.gz UUGSIOKUZYHXJM-WDEREUQCSA-N -1 1 350.342 0.830 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)nc1-c1nn[nH]n1 ZINC001581860643 1280613682 /nfs/dbraw/zinc/61/36/82/1280613682.db2.gz LPAXJPXFIACPOK-SNVBAGLBSA-N -1 1 363.341 0.665 20 30 FCEDMM N#Cc1c2c(cnc1NC(=O)Cc1ccc(-c3nnn[n-]3)nc1)CCOC2 ZINC001581860978 1280613861 /nfs/dbraw/zinc/61/38/61/1280613861.db2.gz CCNBNYJGJUKPKD-UHFFFAOYSA-N -1 1 362.353 0.782 20 30 FCEDMM N#Cc1c2c(cnc1NC(=O)Cc1ccc(-c3nn[n-]n3)nc1)CCOC2 ZINC001581860978 1280613869 /nfs/dbraw/zinc/61/38/69/1280613869.db2.gz CCNBNYJGJUKPKD-UHFFFAOYSA-N -1 1 362.353 0.782 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2COc3cc(F)ccc3C2)nc1-c1nn[nH]n1 ZINC001581860135 1280614759 /nfs/dbraw/zinc/61/47/59/1280614759.db2.gz LQYPCTSACKBPLK-MRVPVSSYSA-N -1 1 354.305 0.790 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@]2([C@@H]3CCCCO3)CCCO2)nc1-c1nn[nH]n1 ZINC001581860286 1280614771 /nfs/dbraw/zinc/61/47/71/1280614771.db2.gz TUWZPVNAZOBNDP-BONVTDFDSA-N -1 1 358.362 0.518 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001581863434 1280616845 /nfs/dbraw/zinc/61/68/45/1280616845.db2.gz OFSQXZSBDOLRLH-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001581863434 1280616853 /nfs/dbraw/zinc/61/68/53/1280616853.db2.gz OFSQXZSBDOLRLH-MGCOHNPYSA-N -1 1 350.346 0.229 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581865225 1280618127 /nfs/dbraw/zinc/61/81/27/1280618127.db2.gz GBQKHPWJWSHOCH-SNVBAGLBSA-N -1 1 364.373 0.113 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001581864965 1280618551 /nfs/dbraw/zinc/61/85/51/1280618551.db2.gz XSSLIXBNBRVNCW-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001581864965 1280618561 /nfs/dbraw/zinc/61/85/61/1280618561.db2.gz XSSLIXBNBRVNCW-JGZJWPJOSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864783 1280619337 /nfs/dbraw/zinc/61/93/37/1280619337.db2.gz OBJVTERXUJVEDI-LLVKDONJSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC001581866565 1280621018 /nfs/dbraw/zinc/62/10/18/1280621018.db2.gz JWKCFRYCHPPVLK-UHFFFAOYSA-N -1 1 361.412 0.814 20 30 FCEDMM N#Cc1cc(CS(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC001581866565 1280621021 /nfs/dbraw/zinc/62/10/21/1280621021.db2.gz JWKCFRYCHPPVLK-UHFFFAOYSA-N -1 1 361.412 0.814 20 30 FCEDMM N#Cc1cc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)c[nH]1 ZINC001581866099 1280621651 /nfs/dbraw/zinc/62/16/51/1280621651.db2.gz SCPZRFJWIQLWKB-UHFFFAOYSA-N -1 1 364.373 0.043 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001581867565 1280622928 /nfs/dbraw/zinc/62/29/28/1280622928.db2.gz NJNAVYZQOFXXAM-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001581867565 1280622929 /nfs/dbraw/zinc/62/29/29/1280622929.db2.gz NJNAVYZQOFXXAM-HOMQSWHASA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001581867625 1280622997 /nfs/dbraw/zinc/62/29/97/1280622997.db2.gz PCVSDCWOCCQYDN-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001581867625 1280623003 /nfs/dbraw/zinc/62/30/03/1280623003.db2.gz PCVSDCWOCCQYDN-OWOJBTEDSA-N -1 1 350.346 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001581867504 1280623118 /nfs/dbraw/zinc/62/31/18/1280623118.db2.gz KVENNRVGBMDISL-UHFFFAOYSA-N -1 1 367.394 0.846 20 30 FCEDMM N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581872310 1280626368 /nfs/dbraw/zinc/62/63/68/1280626368.db2.gz VHZGARQSRJEEKZ-UHFFFAOYSA-N -1 1 373.373 0.892 20 30 FCEDMM N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581872310 1280626379 /nfs/dbraw/zinc/62/63/79/1280626379.db2.gz VHZGARQSRJEEKZ-UHFFFAOYSA-N -1 1 373.373 0.892 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001581873992 1280628756 /nfs/dbraw/zinc/62/87/56/1280628756.db2.gz ZMAAIQPREMWTIE-UHFFFAOYSA-N -1 1 370.402 0.501 20 30 FCEDMM N#Cc1ccc(NCCNC(=O)NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001581873992 1280628765 /nfs/dbraw/zinc/62/87/65/1280628765.db2.gz ZMAAIQPREMWTIE-UHFFFAOYSA-N -1 1 370.402 0.501 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCc3c2cnn3CCO)cnc1-c1nnn[n-]1 ZINC001581880290 1280638730 /nfs/dbraw/zinc/63/87/30/1280638730.db2.gz FWQCQGFZLWMSKF-JTQLQIEISA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCc3c2cnn3CCO)cnc1-c1nn[n-]n1 ZINC001581880290 1280638740 /nfs/dbraw/zinc/63/87/40/1280638740.db2.gz FWQCQGFZLWMSKF-JTQLQIEISA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cnc1-c1nnn[n-]1 ZINC001581880697 1280640225 /nfs/dbraw/zinc/64/02/25/1280640225.db2.gz SGLLWOPXVXZONL-QMTHXVAHSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cnc1-c1nn[n-]n1 ZINC001581880697 1280640233 /nfs/dbraw/zinc/64/02/33/1280640233.db2.gz SGLLWOPXVXZONL-QMTHXVAHSA-N -1 1 356.390 0.508 20 30 FCEDMM N#Cc1nc(N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cnc1-c1nnn[n-]1 ZINC001581880550 1280642061 /nfs/dbraw/zinc/64/20/61/1280642061.db2.gz NUTNBZXNAZAICG-JTQLQIEISA-N -1 1 369.776 0.690 20 30 FCEDMM N#Cc1nc(N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cnc1-c1nn[n-]n1 ZINC001581880550 1280642069 /nfs/dbraw/zinc/64/20/69/1280642069.db2.gz NUTNBZXNAZAICG-JTQLQIEISA-N -1 1 369.776 0.690 20 30 FCEDMM N#Cc1ncc(N2CCCN(CC(F)(F)F)CC2)nc1-c1nn[n-]n1 ZINC001581882339 1280644810 /nfs/dbraw/zinc/64/48/10/1280644810.db2.gz UQGZCCXCEPNKNN-UHFFFAOYSA-N -1 1 353.312 0.603 20 30 FCEDMM N#Cc1ncc(N2CCn3nc(C(F)(F)F)cc3C2)nc1-c1nn[n-]n1 ZINC001581882503 1280645197 /nfs/dbraw/zinc/64/51/97/1280645197.db2.gz BIRFTBAXRJPAPJ-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001581883232 1280647953 /nfs/dbraw/zinc/64/79/53/1280647953.db2.gz SGEWKEQEHWASBU-VIFPVBQESA-N -1 1 360.403 0.440 20 30 FCEDMM N#Cc1ncc(NCCS(=O)(=O)c2ccccc2)nc1-c1nn[n-]n1 ZINC001581884409 1280649915 /nfs/dbraw/zinc/64/99/15/1280649915.db2.gz YKSUCRYUZPWZIU-UHFFFAOYSA-N -1 1 356.371 0.414 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001581912542 1280714060 /nfs/dbraw/zinc/71/40/60/1280714060.db2.gz PKPYENOZGLCGKP-KDOFPFPSSA-N -1 1 364.413 0.688 20 30 FCEDMM O=C(C#CC1CC1)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001581912542 1280714069 /nfs/dbraw/zinc/71/40/69/1280714069.db2.gz PKPYENOZGLCGKP-KDOFPFPSSA-N -1 1 364.413 0.688 20 30 FCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687984 1287470441 /nfs/dbraw/zinc/47/04/41/1287470441.db2.gz SFWPCCVWXIDARO-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687984 1287470445 /nfs/dbraw/zinc/47/04/45/1287470445.db2.gz SFWPCCVWXIDARO-AAEUAGOBSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001603815342 1287507237 /nfs/dbraw/zinc/50/72/37/1287507237.db2.gz TWMICNGCCJPDCO-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001603815342 1287507243 /nfs/dbraw/zinc/50/72/43/1287507243.db2.gz TWMICNGCCJPDCO-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C#CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC001588330920 1282422857 /nfs/dbraw/zinc/42/28/57/1282422857.db2.gz LWRGYWARDZBCAJ-UHFFFAOYSA-N -1 1 370.417 0.629 20 30 FCEDMM C#CC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC001588330920 1282422863 /nfs/dbraw/zinc/42/28/63/1282422863.db2.gz LWRGYWARDZBCAJ-UHFFFAOYSA-N -1 1 370.417 0.629 20 30 FCEDMM C#CC[C@@H](COC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588333739 1282425410 /nfs/dbraw/zinc/42/54/10/1282425410.db2.gz CSCHBIKDJIPZSI-VIFPVBQESA-N -1 1 366.359 0.092 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338315 1282430368 /nfs/dbraw/zinc/43/03/68/1282430368.db2.gz JOJWBOVCTYJQBK-CHWSQXEVSA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588338364 1282430651 /nfs/dbraw/zinc/43/06/51/1282430651.db2.gz KFKIRDSVOAYHSZ-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588338364 1282430659 /nfs/dbraw/zinc/43/06/59/1282430659.db2.gz KFKIRDSVOAYHSZ-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588338319 1282431291 /nfs/dbraw/zinc/43/12/91/1282431291.db2.gz JOJWBOVCTYJQBK-STQMWFEESA-N -1 1 354.418 0.579 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001588339021 1282432370 /nfs/dbraw/zinc/43/23/70/1282432370.db2.gz UEQPRBMLDKDPRU-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001588339021 1282432374 /nfs/dbraw/zinc/43/23/74/1282432374.db2.gz UEQPRBMLDKDPRU-AWEZNQCLSA-N -1 1 366.429 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588338835 1282432531 /nfs/dbraw/zinc/43/25/31/1282432531.db2.gz HPFZTTPRVXYWJW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588338835 1282432536 /nfs/dbraw/zinc/43/25/36/1282432536.db2.gz HPFZTTPRVXYWJW-ZDUSSCGKSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588339006 1282432546 /nfs/dbraw/zinc/43/25/46/1282432546.db2.gz STGDCWYXVIEOSF-GFCCVEGCSA-N -1 1 356.434 0.964 20 30 FCEDMM C#CCCCC(=O)NC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588339006 1282432550 /nfs/dbraw/zinc/43/25/50/1282432550.db2.gz STGDCWYXVIEOSF-GFCCVEGCSA-N -1 1 356.434 0.964 20 30 FCEDMM C#CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588339519 1282434221 /nfs/dbraw/zinc/43/42/21/1282434221.db2.gz NSQCLDWKPOMFPF-ZIAGYGMSSA-N -1 1 368.445 0.779 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588340201 1282435047 /nfs/dbraw/zinc/43/50/47/1282435047.db2.gz IMRUASQSKRXXLE-CYBMUJFWSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588341327 1282436038 /nfs/dbraw/zinc/43/60/38/1282436038.db2.gz DNGNQWUQFVKCTK-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588341327 1282436044 /nfs/dbraw/zinc/43/60/44/1282436044.db2.gz DNGNQWUQFVKCTK-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001588342879 1282437887 /nfs/dbraw/zinc/43/78/87/1282437887.db2.gz UOOWWLUZWQKWCS-CYBMUJFWSA-N -1 1 356.434 0.825 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588342067 1282438571 /nfs/dbraw/zinc/43/85/71/1282438571.db2.gz DWPVKGSGHLJGFQ-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588342067 1282438574 /nfs/dbraw/zinc/43/85/74/1282438574.db2.gz DWPVKGSGHLJGFQ-ZDUSSCGKSA-N -1 1 354.418 0.793 20 30 FCEDMM C#CCN(C(=O)C(C)C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588347330 1282442488 /nfs/dbraw/zinc/44/24/88/1282442488.db2.gz NUESOKDZADJLDI-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C#CCN(C(=O)C(C)C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588347330 1282442492 /nfs/dbraw/zinc/44/24/92/1282442492.db2.gz NUESOKDZADJLDI-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355385 1282453681 /nfs/dbraw/zinc/45/36/81/1282453681.db2.gz HLMFZVLPSVBOFJ-YPMHNXCESA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355385 1282453684 /nfs/dbraw/zinc/45/36/84/1282453684.db2.gz HLMFZVLPSVBOFJ-YPMHNXCESA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588356133 1282457758 /nfs/dbraw/zinc/45/77/58/1282457758.db2.gz TZBDTTLXLLBAAN-QWHCGFSZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588356133 1282457761 /nfs/dbraw/zinc/45/77/61/1282457761.db2.gz TZBDTTLXLLBAAN-QWHCGFSZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588357172 1282463185 /nfs/dbraw/zinc/46/31/85/1282463185.db2.gz IVYVOMDYTVBMCW-GFCCVEGCSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588357172 1282463188 /nfs/dbraw/zinc/46/31/88/1282463188.db2.gz IVYVOMDYTVBMCW-GFCCVEGCSA-N -1 1 372.433 0.592 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588357348 1282465179 /nfs/dbraw/zinc/46/51/79/1282465179.db2.gz LRNLWDWIXNIRIP-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588357348 1282465183 /nfs/dbraw/zinc/46/51/83/1282465183.db2.gz LRNLWDWIXNIRIP-GFCCVEGCSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001588357195 1282465309 /nfs/dbraw/zinc/46/53/09/1282465309.db2.gz IZCUGCXLDHCBPU-RISCZKNCSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001588357195 1282465315 /nfs/dbraw/zinc/46/53/15/1282465315.db2.gz IZCUGCXLDHCBPU-RISCZKNCSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588358318 1282468761 /nfs/dbraw/zinc/46/87/61/1282468761.db2.gz QRHNIKBLJMGEAH-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588358318 1282468766 /nfs/dbraw/zinc/46/87/66/1282468766.db2.gz QRHNIKBLJMGEAH-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358149 1282468846 /nfs/dbraw/zinc/46/88/46/1282468846.db2.gz TYSCXZQYNXKBAY-WDEREUQCSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358149 1282468853 /nfs/dbraw/zinc/46/88/53/1282468853.db2.gz TYSCXZQYNXKBAY-WDEREUQCSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C\CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358551 1282470021 /nfs/dbraw/zinc/47/00/21/1282470021.db2.gz ZCHIJZKFMPVCLS-DGMVEKRQSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C\CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358551 1282470029 /nfs/dbraw/zinc/47/00/29/1282470029.db2.gz ZCHIJZKFMPVCLS-DGMVEKRQSA-N -1 1 370.417 0.342 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001588358992 1282472003 /nfs/dbraw/zinc/47/20/03/1282472003.db2.gz FQDMWJMPTAURAM-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001588358992 1282472010 /nfs/dbraw/zinc/47/20/10/1282472010.db2.gz FQDMWJMPTAURAM-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588358871 1282472348 /nfs/dbraw/zinc/47/23/48/1282472348.db2.gz VZQZKSQSCSUYDO-LBPRGKRZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588358871 1282472351 /nfs/dbraw/zinc/47/23/51/1282472351.db2.gz VZQZKSQSCSUYDO-LBPRGKRZSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001588359226 1282472476 /nfs/dbraw/zinc/47/24/76/1282472476.db2.gz ZPRGKFJGRIKOET-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001588359226 1282472482 /nfs/dbraw/zinc/47/24/82/1282472482.db2.gz ZPRGKFJGRIKOET-YPMHNXCESA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001588358949 1282473022 /nfs/dbraw/zinc/47/30/22/1282473022.db2.gz DNURUMDFZHCCHY-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001588358949 1282473025 /nfs/dbraw/zinc/47/30/25/1282473025.db2.gz DNURUMDFZHCCHY-RYUDHWBXSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588359263 1282475384 /nfs/dbraw/zinc/47/53/84/1282475384.db2.gz JJDXLXXVFFYTAG-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588359263 1282475388 /nfs/dbraw/zinc/47/53/88/1282475388.db2.gz JJDXLXXVFFYTAG-GFCCVEGCSA-N -1 1 356.390 0.100 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588360960 1282480832 /nfs/dbraw/zinc/48/08/32/1282480832.db2.gz ZDNPPECBUMSTEK-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588360960 1282480843 /nfs/dbraw/zinc/48/08/43/1282480843.db2.gz ZDNPPECBUMSTEK-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588361310 1282481803 /nfs/dbraw/zinc/48/18/03/1282481803.db2.gz JUGLAJMLMXRRFU-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588361310 1282481811 /nfs/dbraw/zinc/48/18/11/1282481811.db2.gz JUGLAJMLMXRRFU-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361432 1282483111 /nfs/dbraw/zinc/48/31/11/1282483111.db2.gz MTZZIROBHCCBKB-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361432 1282483121 /nfs/dbraw/zinc/48/31/21/1282483121.db2.gz MTZZIROBHCCBKB-CYBMUJFWSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001588361849 1282485514 /nfs/dbraw/zinc/48/55/14/1282485514.db2.gz UAPLLGQLHDKWMO-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588361849 1282485518 /nfs/dbraw/zinc/48/55/18/1282485518.db2.gz UAPLLGQLHDKWMO-OLZOCXBDSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001588361519 1282485670 /nfs/dbraw/zinc/48/56/70/1282485670.db2.gz OVHRZAZZFNPWPX-QWHCGFSZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588362003 1282487220 /nfs/dbraw/zinc/48/72/20/1282487220.db2.gz VQUVEWZJYZTTOL-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588362003 1282487225 /nfs/dbraw/zinc/48/72/25/1282487225.db2.gz VQUVEWZJYZTTOL-LBPRGKRZSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588362010 1282487517 /nfs/dbraw/zinc/48/75/17/1282487517.db2.gz VTIULCKPQAFHQN-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588362010 1282487523 /nfs/dbraw/zinc/48/75/23/1282487523.db2.gz VTIULCKPQAFHQN-CHWSQXEVSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCn1ccc(CN(CC)C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC001588364004 1282489599 /nfs/dbraw/zinc/48/95/99/1282489599.db2.gz NDYHZMZZCJZNRF-UHFFFAOYSA-N -1 1 354.374 0.584 20 30 FCEDMM C#CCn1ccc(CN(CC)C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC001588364004 1282489602 /nfs/dbraw/zinc/48/96/02/1282489602.db2.gz NDYHZMZZCJZNRF-UHFFFAOYSA-N -1 1 354.374 0.584 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001588364508 1282490885 /nfs/dbraw/zinc/49/08/85/1282490885.db2.gz HNDQAMWGLUSLCI-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001588364508 1282490889 /nfs/dbraw/zinc/49/08/89/1282490889.db2.gz HNDQAMWGLUSLCI-WDEREUQCSA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001588377338 1282496085 /nfs/dbraw/zinc/49/60/85/1282496085.db2.gz WDBAPFZMUJRARC-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001588377338 1282496095 /nfs/dbraw/zinc/49/60/95/1282496095.db2.gz WDBAPFZMUJRARC-LLVKDONJSA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)c1 ZINC001588381184 1282497406 /nfs/dbraw/zinc/49/74/06/1282497406.db2.gz ULSIKPHGIVTFLJ-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)c1 ZINC001588381184 1282497414 /nfs/dbraw/zinc/49/74/14/1282497414.db2.gz ULSIKPHGIVTFLJ-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)OCC ZINC001588402592 1282499930 /nfs/dbraw/zinc/49/99/30/1282499930.db2.gz IQUSCMYJYTWEOE-CQSZACIVSA-N -1 1 374.449 0.923 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)OCC ZINC001588402592 1282499935 /nfs/dbraw/zinc/49/99/35/1282499935.db2.gz IQUSCMYJYTWEOE-CQSZACIVSA-N -1 1 374.449 0.923 20 30 FCEDMM C=C(C)CCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588411485 1282503606 /nfs/dbraw/zinc/50/36/06/1282503606.db2.gz DGOIOROFRVIZHE-UHFFFAOYSA-N -1 1 372.433 0.200 20 30 FCEDMM C=C(C)CCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588418306 1282504190 /nfs/dbraw/zinc/50/41/90/1282504190.db2.gz 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CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CC1 ZINC001589394817 1282870953 /nfs/dbraw/zinc/87/09/53/1282870953.db2.gz AOUXOSXHUYTFEY-UHFFFAOYSA-N -1 1 357.378 0.295 20 30 FCEDMM C[C@@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001589787673 1283002453 /nfs/dbraw/zinc/00/24/53/1283002453.db2.gz ORMNKNHUZFPZRQ-QMMMGPOBSA-N -1 1 351.348 0.698 20 30 FCEDMM C[C@@H](CC#N)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001589787673 1283002462 /nfs/dbraw/zinc/00/24/62/1283002462.db2.gz ORMNKNHUZFPZRQ-QMMMGPOBSA-N -1 1 351.348 0.698 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589818970 1283055540 /nfs/dbraw/zinc/05/55/40/1283055540.db2.gz RKQJPZPOTQRGAV-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589818970 1283055547 /nfs/dbraw/zinc/05/55/47/1283055547.db2.gz RKQJPZPOTQRGAV-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589911758 1283118336 /nfs/dbraw/zinc/11/83/36/1283118336.db2.gz DSRISZXWQKQCOL-OCCSQVGLSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987145 1283157269 /nfs/dbraw/zinc/15/72/69/1283157269.db2.gz GKZALXAQXCKEGE-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001589987145 1283157274 /nfs/dbraw/zinc/15/72/74/1283157274.db2.gz GKZALXAQXCKEGE-YPMHNXCESA-N -1 1 352.402 0.719 20 30 FCEDMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108418 1283220426 /nfs/dbraw/zinc/22/04/26/1283220426.db2.gz ZBGNDCFTOHLANL-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001590108418 1283220430 /nfs/dbraw/zinc/22/04/30/1283220430.db2.gz ZBGNDCFTOHLANL-AWEZNQCLSA-N -1 1 366.429 0.791 20 30 FCEDMM CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1nc(-c3nn[nH]n3)c(C#N)[n-]1)OC2=O ZINC001590121197 1283228015 /nfs/dbraw/zinc/22/80/15/1283228015.db2.gz MABFROBTNNFQLI-LSDHHAIUSA-N -1 1 356.346 0.522 20 30 FCEDMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135598 1283236069 /nfs/dbraw/zinc/23/60/69/1283236069.db2.gz VPLWHXBLAUOJOC-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135598 1283236077 /nfs/dbraw/zinc/23/60/77/1283236077.db2.gz VPLWHXBLAUOJOC-QGZVFWFLSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135123 1283236424 /nfs/dbraw/zinc/23/64/24/1283236424.db2.gz HVKGGQDVNWBPMA-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)C#CC2CC2)C1 ZINC001590135123 1283236430 /nfs/dbraw/zinc/23/64/30/1283236430.db2.gz HVKGGQDVNWBPMA-KRWDZBQOSA-N -1 1 352.402 0.721 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590174769 1283276930 /nfs/dbraw/zinc/27/69/30/1283276930.db2.gz GMPZODGPCPLTOZ-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590174769 1283276941 /nfs/dbraw/zinc/27/69/41/1283276941.db2.gz GMPZODGPCPLTOZ-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590196858 1283307176 /nfs/dbraw/zinc/30/71/76/1283307176.db2.gz MBUXHWRQMQLSDM-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590196858 1283307191 /nfs/dbraw/zinc/30/71/91/1283307191.db2.gz MBUXHWRQMQLSDM-AAEUAGOBSA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210705 1283340288 /nfs/dbraw/zinc/34/02/88/1283340288.db2.gz OMFOJFHIGFQUJX-AAEUAGOBSA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210705 1283340302 /nfs/dbraw/zinc/34/03/02/1283340302.db2.gz OMFOJFHIGFQUJX-AAEUAGOBSA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nnn[n-]1 ZINC001590230258 1283362993 /nfs/dbraw/zinc/36/29/93/1283362993.db2.gz JWZGYFMJYZDKHB-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)CN1c1nccnc1-c1nn[n-]n1 ZINC001590230258 1283363004 /nfs/dbraw/zinc/36/30/04/1283363004.db2.gz JWZGYFMJYZDKHB-WCQYABFASA-N -1 1 352.402 0.544 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590292109 1283423243 /nfs/dbraw/zinc/42/32/43/1283423243.db2.gz IVYVPNHVNRMLML-ZJUUUORDSA-N -1 1 359.419 0.172 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590292109 1283423247 /nfs/dbraw/zinc/42/32/47/1283423247.db2.gz IVYVPNHVNRMLML-ZJUUUORDSA-N -1 1 359.419 0.172 20 30 FCEDMM CCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590537970 1283598282 /nfs/dbraw/zinc/59/82/82/1283598282.db2.gz ISRAMONURZDVKR-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590537970 1283598289 /nfs/dbraw/zinc/59/82/89/1283598289.db2.gz ISRAMONURZDVKR-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001604546900 1287654793 /nfs/dbraw/zinc/65/47/93/1287654793.db2.gz BCQGTPZRAOBECO-YPMHNXCESA-N -1 1 366.429 0.716 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H]2C)n1 ZINC001604546900 1287654798 /nfs/dbraw/zinc/65/47/98/1287654798.db2.gz BCQGTPZRAOBECO-YPMHNXCESA-N -1 1 366.429 0.716 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590668924 1283716912 /nfs/dbraw/zinc/71/69/12/1283716912.db2.gz HATVVJAXHMTHPD-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590668924 1283716921 /nfs/dbraw/zinc/71/69/21/1283716921.db2.gz HATVVJAXHMTHPD-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)C#CC(C)(C)C)CC2)n1 ZINC001590907561 1283958587 /nfs/dbraw/zinc/95/85/87/1283958587.db2.gz PRNICEJRPTXITF-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)C#CC(C)(C)C)CC2)n1 ZINC001590907561 1283958591 /nfs/dbraw/zinc/95/85/91/1283958591.db2.gz PRNICEJRPTXITF-UHFFFAOYSA-N -1 1 368.445 0.917 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591057173 1284117836 /nfs/dbraw/zinc/11/78/36/1284117836.db2.gz YTMYITKDODVFQP-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(C[C@H]1CCCN1C(=O)C#CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591057173 1284117843 /nfs/dbraw/zinc/11/78/43/1284117843.db2.gz YTMYITKDODVFQP-CYBMUJFWSA-N -1 1 352.402 0.497 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591058464 1284120140 /nfs/dbraw/zinc/12/01/40/1284120140.db2.gz RAHZGGSGIVKIPD-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(CC1CCN(C(=O)C#CC2CC2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591058464 1284120144 /nfs/dbraw/zinc/12/01/44/1284120144.db2.gz RAHZGGSGIVKIPD-UHFFFAOYSA-N -1 1 366.429 0.745 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591125580 1284198333 /nfs/dbraw/zinc/19/83/33/1284198333.db2.gz WIESYKFUALTXNY-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@H]1CCCCN1C(=O)C#CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591125580 1284198338 /nfs/dbraw/zinc/19/83/38/1284198338.db2.gz WIESYKFUALTXNY-CQSZACIVSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001591124070 1284199111 /nfs/dbraw/zinc/19/91/11/1284199111.db2.gz WIESYKFUALTXNY-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CN(C[C@@H]1CCCCN1C(=O)C#CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001591124070 1284199116 /nfs/dbraw/zinc/19/91/16/1284199116.db2.gz WIESYKFUALTXNY-AWEZNQCLSA-N -1 1 366.429 0.887 20 30 FCEDMM CNS(=O)(=O)c1cccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001591220814 1284361395 /nfs/dbraw/zinc/36/13/95/1284361395.db2.gz JHWGYTXTHVPSQU-UHFFFAOYSA-N -1 1 371.386 0.049 20 30 FCEDMM CNS(=O)(=O)c1cccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001591220814 1284361405 /nfs/dbraw/zinc/36/14/05/1284361405.db2.gz JHWGYTXTHVPSQU-UHFFFAOYSA-N -1 1 371.386 0.049 20 30 FCEDMM COC(=O)CCN(CC#N)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591264208 1284421512 /nfs/dbraw/zinc/42/15/12/1284421512.db2.gz BQPXYJVNSYVXSR-UHFFFAOYSA-N -1 1 356.389 0.006 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C#N)cc2F)c1 ZINC001591286187 1284444107 /nfs/dbraw/zinc/44/41/07/1284444107.db2.gz ZJHZFYSVQKBMLD-UHFFFAOYSA-N -1 1 354.301 0.874 20 30 FCEDMM COc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc2c1OCCO2 ZINC001591517815 1284709036 /nfs/dbraw/zinc/70/90/36/1284709036.db2.gz IHSWZRHVRMQSRL-UHFFFAOYSA-N -1 1 368.313 0.494 20 30 FCEDMM COc1cccc([C@@H](OC)C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591637514 1284776188 /nfs/dbraw/zinc/77/61/88/1284776188.db2.gz MWZAQOWTKDORKA-GFCCVEGCSA-N -1 1 354.330 0.796 20 30 FCEDMM COc1ccccc1S(=O)(=O)CCCn1cnc(C#N)c1-c1nn[n-]n1 ZINC001591654490 1284783664 /nfs/dbraw/zinc/78/36/64/1284783664.db2.gz OIXNGYIMFADMGR-UHFFFAOYSA-N -1 1 373.398 0.807 20 30 FCEDMM COc1cncc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)c1 ZINC001591659287 1284788245 /nfs/dbraw/zinc/78/82/45/1284788245.db2.gz RHNLEUYKNJHTGR-UHFFFAOYSA-N -1 1 364.373 0.259 20 30 FCEDMM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001591756026 1284886199 /nfs/dbraw/zinc/88/61/99/1284886199.db2.gz JFVANWUYLUNRDG-KOLCDFICSA-N -1 1 364.373 0.254 20 30 FCEDMM C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001591777547 1284897607 /nfs/dbraw/zinc/89/76/07/1284897607.db2.gz RFULJJLTWCMGPA-ACJLOTCBSA-N -1 1 364.413 0.355 20 30 FCEDMM Cc1c(-c2nn[n-]n2)c(=O)n(Cc2cncc(C#N)c2)c(=O)n1C1CC1 ZINC001591794938 1284908983 /nfs/dbraw/zinc/90/89/83/1284908983.db2.gz ILCFRURTQDYCQG-UHFFFAOYSA-N -1 1 350.342 0.148 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)[C@@H]2C)n1 ZINC001591888738 1284980155 /nfs/dbraw/zinc/98/01/55/1284980155.db2.gz IAXCYFCJNHGBID-GXTWGEPZSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)C#CC3CC3)[C@@H]2C)n1 ZINC001591888738 1284980161 /nfs/dbraw/zinc/98/01/61/1284980161.db2.gz IAXCYFCJNHGBID-GXTWGEPZSA-N -1 1 366.429 0.852 20 30 FCEDMM Cc1cc(C)n(N=Cc2ccc(S(N)(=O)=O)cc2)c(=O)c1-c1nn[n-]n1 ZINC001591956791 1285025830 /nfs/dbraw/zinc/02/58/30/1285025830.db2.gz KMULFGHMCGBUHX-UHFFFAOYSA-N -1 1 373.398 0.175 20 30 FCEDMM Cc1nsc(NCCCOCCNC(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001592492843 1285423268 /nfs/dbraw/zinc/42/32/68/1285423268.db2.gz OAJVFQMGLOFANH-SECBINFHSA-N -1 1 364.435 0.726 20 30 FCEDMM Cn1ncc(C#N)c1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001592598030 1285530413 /nfs/dbraw/zinc/53/04/13/1285530413.db2.gz YLYOVAPIFYAOGJ-UHFFFAOYSA-N -1 1 366.389 0.664 20 30 FCEDMM N#CCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC001592672037 1285566812 /nfs/dbraw/zinc/56/68/12/1285566812.db2.gz VQDBCPHZHUAYLX-UHFFFAOYSA-N -1 1 354.330 0.677 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592680500 1285579677 /nfs/dbraw/zinc/57/96/77/1285579677.db2.gz PYPXDAOVESOPQH-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592680500 1285579687 /nfs/dbraw/zinc/57/96/87/1285579687.db2.gz PYPXDAOVESOPQH-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc1-c1nn[nH]n1 ZINC001592682838 1285580628 /nfs/dbraw/zinc/58/06/28/1285580628.db2.gz FWOLUOMWHDJPQO-MRVPVSSYSA-N -1 1 367.304 0.665 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1nc2c(s1)CCCC2 ZINC001592683977 1285580739 /nfs/dbraw/zinc/58/07/39/1285580739.db2.gz KAGUYLJNRGDHLS-UHFFFAOYSA-N -1 1 355.387 0.909 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cc2ccc(-n3ccnc3)cc2)nc1-c1nn[nH]n1 ZINC001592682941 1285581737 /nfs/dbraw/zinc/58/17/37/1285581737.db2.gz IHJYLUIZBBCUTK-UHFFFAOYSA-N -1 1 360.341 0.828 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccc3n[nH]c(=S)n3c2)nc1-c1nn[nH]n1 ZINC001592682167 1285581769 /nfs/dbraw/zinc/58/17/69/1285581769.db2.gz RKHGRPGUMRMZCD-UHFFFAOYSA-N -1 1 353.331 0.045 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001592684328 1285584438 /nfs/dbraw/zinc/58/44/38/1285584438.db2.gz XKOHQYKCPFPZJM-UHFFFAOYSA-N -1 1 366.341 0.735 20 30 FCEDMM N#Cc1ccc(N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)nc1 ZINC001592696228 1285588945 /nfs/dbraw/zinc/58/89/45/1285588945.db2.gz QLOWTBWKKFXWAN-LBPRGKRZSA-N -1 1 373.384 0.876 20 30 FCEDMM N#Cc1ccc(N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)nc1 ZINC001592696228 1285588953 /nfs/dbraw/zinc/58/89/53/1285588953.db2.gz QLOWTBWKKFXWAN-LBPRGKRZSA-N -1 1 373.384 0.876 20 30 FCEDMM N#Cc1nc(N2CCN(Cc3cccc(O)c3)CC2)cnc1-c1nnn[n-]1 ZINC001592706325 1285592816 /nfs/dbraw/zinc/59/28/16/1285592816.db2.gz OEYODUJJFGBKLQ-UHFFFAOYSA-N -1 1 363.385 0.556 20 30 FCEDMM N#Cc1nc(N2CCN(Cc3cccc(O)c3)CC2)cnc1-c1nn[n-]n1 ZINC001592706325 1285592824 /nfs/dbraw/zinc/59/28/24/1285592824.db2.gz OEYODUJJFGBKLQ-UHFFFAOYSA-N -1 1 363.385 0.556 20 30 FCEDMM N#Cc1ncn(CC(=O)NCCc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC001592709725 1285595127 /nfs/dbraw/zinc/59/51/27/1285595127.db2.gz MQLIKGUQHLZCSX-UHFFFAOYSA-N -1 1 358.312 0.572 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001592766932 1285688236 /nfs/dbraw/zinc/68/82/36/1285688236.db2.gz WJBVCFJKUGSCSD-CQSZACIVSA-N -1 1 366.429 0.675 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001592766145 1285688942 /nfs/dbraw/zinc/68/89/42/1285688942.db2.gz DPKKLQVYQGVKSO-ZIAGYGMSSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001592766145 1285688946 /nfs/dbraw/zinc/68/89/46/1285688946.db2.gz DPKKLQVYQGVKSO-ZIAGYGMSSA-N -1 1 364.413 0.640 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001592767334 1285691224 /nfs/dbraw/zinc/69/12/24/1285691224.db2.gz AXUKLOPGGFSYDD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001592767334 1285691230 /nfs/dbraw/zinc/69/12/30/1285691230.db2.gz AXUKLOPGGFSYDD-CYBMUJFWSA-N -1 1 352.402 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592769333 1285694673 /nfs/dbraw/zinc/69/46/73/1285694673.db2.gz UFQXNURBPOIZDM-OLZOCXBDSA-N -1 1 352.402 0.331 20 30 FCEDMM COC(=O)c1cccc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1C#N ZINC001609306066 1289079950 /nfs/dbraw/zinc/07/99/50/1289079950.db2.gz QZWSUPJAVUEZQB-UHFFFAOYSA-N -1 1 365.353 0.747 20 30 FCEDMM N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601131627 1286642062 /nfs/dbraw/zinc/64/20/62/1286642062.db2.gz JFHBQELRALNSGI-DZGCQCFKSA-N -1 1 355.354 0.514 20 30 FCEDMM C=CC[C@@H](NC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccncc1 ZINC001609320595 1289091213 /nfs/dbraw/zinc/09/12/13/1289091213.db2.gz SQADHKAIBQVJGM-OAHLLOKOSA-N -1 1 374.441 0.822 20 30 FCEDMM COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609321414 1289093548 /nfs/dbraw/zinc/09/35/48/1289093548.db2.gz ZIRCUNOZVGHKTK-ZDUSSCGKSA-N -1 1 354.367 0.603 20 30 FCEDMM C#CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC 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MRWRMWAIIFRCOW-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001602724193 1287079890 /nfs/dbraw/zinc/07/98/90/1287079890.db2.gz BRQFSQHIOYDEDO-DIFFPNOSSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001602724193 1287079901 /nfs/dbraw/zinc/07/99/01/1287079901.db2.gz BRQFSQHIOYDEDO-DIFFPNOSSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001602725035 1287082810 /nfs/dbraw/zinc/08/28/10/1287082810.db2.gz IRTQLYITJKEBIM-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001602725035 1287082822 /nfs/dbraw/zinc/08/28/22/1287082822.db2.gz IRTQLYITJKEBIM-NEPJUHHUSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)CC(C)C ZINC001602725652 1287083204 /nfs/dbraw/zinc/08/32/04/1287083204.db2.gz LPYMAHROLXFRSA-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)CC(C)C ZINC001602725652 1287083211 /nfs/dbraw/zinc/08/32/11/1287083211.db2.gz LPYMAHROLXFRSA-OLZOCXBDSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001602725386 1287083687 /nfs/dbraw/zinc/08/36/87/1287083687.db2.gz KDOCTOGEOCZVBZ-NSHDSACASA-N -1 1 361.431 0.319 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001602726796 1287089553 /nfs/dbraw/zinc/08/95/53/1287089553.db2.gz TVOSOCNZTZNKSR-AAEUAGOBSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001602726796 1287089561 /nfs/dbraw/zinc/08/95/61/1287089561.db2.gz TVOSOCNZTZNKSR-AAEUAGOBSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001602726872 1287090222 /nfs/dbraw/zinc/09/02/22/1287090222.db2.gz UEJLTVSGJWSSPV-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001602726872 1287090232 /nfs/dbraw/zinc/09/02/32/1287090232.db2.gz UEJLTVSGJWSSPV-LBPRGKRZSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001602727618 1287093552 /nfs/dbraw/zinc/09/35/52/1287093552.db2.gz QSSYZBOGNRXTQD-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001602727618 1287093561 /nfs/dbraw/zinc/09/35/61/1287093561.db2.gz QSSYZBOGNRXTQD-NEPJUHHUSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCOCCC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602727787 1287094458 /nfs/dbraw/zinc/09/44/58/1287094458.db2.gz SEJSVPOFAIFZLA-UHFFFAOYSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCOCCC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602727787 1287094469 /nfs/dbraw/zinc/09/44/69/1287094469.db2.gz SEJSVPOFAIFZLA-UHFFFAOYSA-N -1 1 370.417 0.347 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001602727790 1287095251 /nfs/dbraw/zinc/09/52/51/1287095251.db2.gz SHHSAMJVPSEVBF-JHJVBQTASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001602727790 1287095259 /nfs/dbraw/zinc/09/52/59/1287095259.db2.gz SHHSAMJVPSEVBF-JHJVBQTASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nnn[n-]2)cn1 ZINC001602729481 1287096874 /nfs/dbraw/zinc/09/68/74/1287096874.db2.gz UFPBKGRHLPWZIY-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#CCOCCC(=O)NC[C@@H](C)N(CC)c1cnc(-c2nn[n-]n2)cn1 ZINC001602729481 1287096879 /nfs/dbraw/zinc/09/68/79/1287096879.db2.gz UFPBKGRHLPWZIY-GFCCVEGCSA-N -1 1 358.406 0.028 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001602735982 1287100057 /nfs/dbraw/zinc/10/00/57/1287100057.db2.gz ZSCNNJSLAUWZGA-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCCNc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001602735982 1287100065 /nfs/dbraw/zinc/10/00/65/1287100065.db2.gz ZSCNNJSLAUWZGA-UHFFFAOYSA-N -1 1 363.385 0.607 20 30 FCEDMM C#Cc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(Cl)c1 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WBYNQIQCPMSTHN-WCQYABFASA-N -1 1 360.422 0.945 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)OCC ZINC001602753323 1287104891 /nfs/dbraw/zinc/10/48/91/1287104891.db2.gz OBTSRPDNKAIGDX-DGCLKSJQSA-N -1 1 360.422 0.945 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)OCC ZINC001602753323 1287104898 /nfs/dbraw/zinc/10/48/98/1287104898.db2.gz OBTSRPDNKAIGDX-DGCLKSJQSA-N -1 1 360.422 0.945 20 30 FCEDMM C=C(C)CCC(=O)NCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602760122 1287107716 /nfs/dbraw/zinc/10/77/16/1287107716.db2.gz ZXQLHXCFQTVCDS-UHFFFAOYSA-N -1 1 371.449 0.251 20 30 FCEDMM C=C1CCC(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001602776262 1287111088 /nfs/dbraw/zinc/11/10/88/1287111088.db2.gz XXEFLYUHKOVMRO-LBPRGKRZSA-N -1 1 356.434 0.989 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1cnc(-c2nnn[n-]2)cn1 ZINC001602783358 1287112217 /nfs/dbraw/zinc/11/22/17/1287112217.db2.gz JGFBEWSXMKUILS-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NCCN(CCOC)c1cnc(-c2nn[n-]n2)cn1 ZINC001602783358 1287112220 /nfs/dbraw/zinc/11/22/20/1287112220.db2.gz JGFBEWSXMKUILS-UHFFFAOYSA-N -1 1 360.422 0.438 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001602783364 1287112879 /nfs/dbraw/zinc/11/28/79/1287112879.db2.gz JGWPOHBQNAIWDC-KRWDZBQOSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001602781166 1287113431 /nfs/dbraw/zinc/11/34/31/1287113431.db2.gz XDCSEOUDLIBVAR-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001602781166 1287113440 /nfs/dbraw/zinc/11/34/40/1287113440.db2.gz XDCSEOUDLIBVAR-QGZVFWFLSA-N -1 1 372.433 0.634 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001602784515 1287114958 /nfs/dbraw/zinc/11/49/58/1287114958.db2.gz UQGZKTXWZTWCHW-SECBINFHSA-N -1 1 351.436 0.733 20 30 FCEDMM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001602793684 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C=CCC1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001602817996 1287124957 /nfs/dbraw/zinc/12/49/57/1287124957.db2.gz XFOYTXJIIWFVCV-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001602824415 1287127258 /nfs/dbraw/zinc/12/72/58/1287127258.db2.gz MCMYEMUDBWGXCH-YVEFUNNKSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001602824415 1287127261 /nfs/dbraw/zinc/12/72/61/1287127261.db2.gz MCMYEMUDBWGXCH-YVEFUNNKSA-N -1 1 354.418 0.908 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602840955 1287130282 /nfs/dbraw/zinc/13/02/82/1287130282.db2.gz JGGHPKJMJCXDFW-RWMBFGLXSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602840955 1287130285 /nfs/dbraw/zinc/13/02/85/1287130285.db2.gz JGGHPKJMJCXDFW-RWMBFGLXSA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602844083 1287132046 /nfs/dbraw/zinc/13/20/46/1287132046.db2.gz IAYOEIUMPKTTLW-UHFFFAOYSA-N -1 1 370.417 0.502 20 30 FCEDMM C=CCCOCC(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602844083 1287132047 /nfs/dbraw/zinc/13/20/47/1287132047.db2.gz IAYOEIUMPKTTLW-UHFFFAOYSA-N -1 1 370.417 0.502 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001602843945 1287132522 /nfs/dbraw/zinc/13/25/22/1287132522.db2.gz CXKRPWQZWKNOSY-ZDUSSCGKSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001602843945 1287132527 /nfs/dbraw/zinc/13/25/27/1287132527.db2.gz CXKRPWQZWKNOSY-ZDUSSCGKSA-N -1 1 372.433 0.534 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001602844894 1287134401 /nfs/dbraw/zinc/13/44/01/1287134401.db2.gz UGHVMHCUGBVXSV-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001602844894 1287134404 /nfs/dbraw/zinc/13/44/04/1287134404.db2.gz UGHVMHCUGBVXSV-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCOCC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602868121 1287141579 /nfs/dbraw/zinc/14/15/79/1287141579.db2.gz HWWTVVDLMKDROX-UHFFFAOYSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602868121 1287141583 /nfs/dbraw/zinc/14/15/83/1287141583.db2.gz HWWTVVDLMKDROX-UHFFFAOYSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001602867235 1287142804 /nfs/dbraw/zinc/14/28/04/1287142804.db2.gz ZVXRJNVLRCKXRU-ZDUSSCGKSA-N -1 1 372.433 0.452 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001602867235 1287142806 /nfs/dbraw/zinc/14/28/06/1287142806.db2.gz ZVXRJNVLRCKXRU-ZDUSSCGKSA-N -1 1 372.433 0.452 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001602869946 1287143419 /nfs/dbraw/zinc/14/34/19/1287143419.db2.gz GFEMPLYVAQGDJB-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCOCCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001602869946 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/nfs/dbraw/zinc/57/97/13/1263579713.db2.gz IPULOBHZJMNTGR-GXTWGEPZSA-N -1 1 367.369 0.024 20 30 FCEDMM N#CC1(c2ccccn2)CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001321203641 1263920246 /nfs/dbraw/zinc/92/02/46/1263920246.db2.gz DYOQHDOQAKNNFQ-UHFFFAOYSA-N -1 1 353.382 0.406 20 30 FCEDMM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001580471333 1278356991 /nfs/dbraw/zinc/35/69/91/1278356991.db2.gz QRBOEZZDNHORFB-UHFFFAOYSA-N -1 1 353.346 0.750 20 30 FCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCSC2(CCOCC2)C1 ZINC001339571433 1268272520 /nfs/dbraw/zinc/27/25/20/1268272520.db2.gz ZTIGFPPPQUFNEC-UHFFFAOYSA-N -1 1 362.463 0.670 20 30 FCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCSC2(CCOCC2)C1 ZINC001339571433 1268272525 /nfs/dbraw/zinc/27/25/25/1268272525.db2.gz ZTIGFPPPQUFNEC-UHFFFAOYSA-N -1 1 362.463 0.670 20 30 FCEDMM C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1[n-]c(=O)n(C)c(=O)c1C#N ZINC001339590188 1268275666 /nfs/dbraw/zinc/27/56/66/1268275666.db2.gz UAEZLORQWVOAGC-AWEZNQCLSA-N -1 1 368.441 0.568 20 30 FCEDMM CC(C)C#CC(=O)N(C)CCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573942023 1270949357 /nfs/dbraw/zinc/94/93/57/1270949357.db2.gz LFDMMDGORHRNFS-UHFFFAOYSA-N -1 1 372.433 0.227 20 30 FCEDMM CC(C)C#CC(=O)N(C)CCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573942023 1270949361 /nfs/dbraw/zinc/94/93/61/1270949361.db2.gz LFDMMDGORHRNFS-UHFFFAOYSA-N -1 1 372.433 0.227 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580637268 1278600781 /nfs/dbraw/zinc/60/07/81/1278600781.db2.gz ONVXTCQOQNTPNU-NSHDSACASA-N -1 1 369.433 0.800 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC001580637268 1278600787 /nfs/dbraw/zinc/60/07/87/1278600787.db2.gz ONVXTCQOQNTPNU-NSHDSACASA-N -1 1 369.433 0.800 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574049375 1271033108 /nfs/dbraw/zinc/03/31/08/1271033108.db2.gz MDFPXXINAMFQJJ-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574049375 1271033111 /nfs/dbraw/zinc/03/31/11/1271033111.db2.gz MDFPXXINAMFQJJ-LBPRGKRZSA-N -1 1 366.389 0.723 20 30 FCEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574545813 1271332675 /nfs/dbraw/zinc/33/26/75/1271332675.db2.gz NKAFRLKVCGJJLR-ZJUUUORDSA-N -1 1 366.389 0.287 20 30 FCEDMM C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574629231 1271427619 /nfs/dbraw/zinc/42/76/19/1271427619.db2.gz PMGQHMXMEBQGRD-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574629231 1271427624 /nfs/dbraw/zinc/42/76/24/1271427624.db2.gz PMGQHMXMEBQGRD-SECBINFHSA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575329862 1271941689 /nfs/dbraw/zinc/94/16/89/1271941689.db2.gz FSEXYNZNBREHCH-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC001575329862 1271941696 /nfs/dbraw/zinc/94/16/96/1271941696.db2.gz FSEXYNZNBREHCH-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684093 1278708678 /nfs/dbraw/zinc/70/86/78/1278708678.db2.gz BFYAVTYKFLXTGW-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)n1 ZINC001580684093 1278708682 /nfs/dbraw/zinc/70/86/82/1278708682.db2.gz BFYAVTYKFLXTGW-UWVGGRQHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580690915 1278729361 /nfs/dbraw/zinc/72/93/61/1278729361.db2.gz ZHZUKRVMUYPAPE-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580690915 1278729370 /nfs/dbraw/zinc/72/93/70/1278729370.db2.gz ZHZUKRVMUYPAPE-SECBINFHSA-N -1 1 366.389 0.785 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068057 1272822400 /nfs/dbraw/zinc/82/24/00/1272822400.db2.gz DZWZTYYYORFULC-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576068057 1272822413 /nfs/dbraw/zinc/82/24/13/1272822413.db2.gz DZWZTYYYORFULC-SKDRFNHKSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576264395 1273054933 /nfs/dbraw/zinc/05/49/33/1273054933.db2.gz QBFUJWQIZXOOSL-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576264395 1273054942 /nfs/dbraw/zinc/05/49/42/1273054942.db2.gz QBFUJWQIZXOOSL-GHMZBOCLSA-N -1 1 373.446 0.562 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)[C@H](C)C#N)C3)C2)n1 ZINC001580707461 1278767236 /nfs/dbraw/zinc/76/72/36/1278767236.db2.gz DLBBXYLBGJQLDB-JHVJFKRDSA-N -1 1 367.417 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)[C@H](C)C#N)C3)C2)n1 ZINC001580707461 1278767243 /nfs/dbraw/zinc/76/72/43/1278767243.db2.gz DLBBXYLBGJQLDB-JHVJFKRDSA-N -1 1 367.417 0.964 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576867834 1273841150 /nfs/dbraw/zinc/84/11/50/1273841150.db2.gz PHIIMJOUTYULRD-LLVKDONJSA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576867834 1273841155 /nfs/dbraw/zinc/84/11/55/1273841155.db2.gz PHIIMJOUTYULRD-LLVKDONJSA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580744793 1278855748 /nfs/dbraw/zinc/85/57/48/1278855748.db2.gz OOWRVYBLVYBNMQ-UHFFFAOYSA-N -1 1 352.362 0.349 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580744793 1278855758 /nfs/dbraw/zinc/85/57/58/1278855758.db2.gz OOWRVYBLVYBNMQ-UHFFFAOYSA-N -1 1 352.362 0.349 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001580752810 1278862082 /nfs/dbraw/zinc/86/20/82/1278862082.db2.gz HKWUWBCPZFTPJR-JOCQHMNTSA-N -1 1 352.402 0.685 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)C#CC3CC3)C2)n1 ZINC001580752810 1278862096 /nfs/dbraw/zinc/86/20/96/1278862096.db2.gz HKWUWBCPZFTPJR-JOCQHMNTSA-N -1 1 352.402 0.685 20 30 FCEDMM CCN(C[C@H](C)C#N)C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001577874520 1275067753 /nfs/dbraw/zinc/06/77/53/1275067753.db2.gz WPOLKFKXINGWCY-LLVKDONJSA-N -1 1 355.402 0.525 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001577906365 1275114923 /nfs/dbraw/zinc/11/49/23/1275114923.db2.gz XOCSTPAPSCNKKH-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@H](C)C#N)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001577906365 1275114927 /nfs/dbraw/zinc/11/49/27/1275114927.db2.gz XOCSTPAPSCNKKH-GFCCVEGCSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nnn[n-]2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001578152199 1275452590 /nfs/dbraw/zinc/45/25/90/1275452590.db2.gz QPLUGCYUOHSUES-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCN(CCNc1nc(C)cc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001578152199 1275452595 /nfs/dbraw/zinc/45/25/95/1275452595.db2.gz QPLUGCYUOHSUES-UHFFFAOYSA-N -1 1 366.389 0.739 20 30 FCEDMM CCO[C@H]1C[C@@H](O)C12CCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)CC2 ZINC001578335498 1275684866 /nfs/dbraw/zinc/68/48/66/1275684866.db2.gz RNGIKALUKGRUPK-NEPJUHHUSA-N -1 1 356.390 0.285 20 30 FCEDMM CCO[C@H]1C[C@@H](O)C12CCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)CC2 ZINC001578335498 1275684876 /nfs/dbraw/zinc/68/48/76/1275684876.db2.gz RNGIKALUKGRUPK-NEPJUHHUSA-N -1 1 356.390 0.285 20 30 FCEDMM CCOc1ccc(N(CCC#N)C(=O)Cn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001578398207 1275774401 /nfs/dbraw/zinc/77/44/01/1275774401.db2.gz UEMCNYMKQIHTDK-UHFFFAOYSA-N -1 1 367.373 0.804 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001578596984 1276027843 /nfs/dbraw/zinc/02/78/43/1276027843.db2.gz HXYOMRAPLOSXFA-QJPTWQEYSA-N -1 1 369.433 0.567 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001578596984 1276027847 /nfs/dbraw/zinc/02/78/47/1276027847.db2.gz HXYOMRAPLOSXFA-QJPTWQEYSA-N -1 1 369.433 0.567 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578628685 1276074581 /nfs/dbraw/zinc/07/45/81/1276074581.db2.gz QHUZURCGAXPLOW-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578628685 1276074582 /nfs/dbraw/zinc/07/45/82/1276074582.db2.gz QHUZURCGAXPLOW-SECBINFHSA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC2(CNC(=O)[C@@H](C)C#N)CCC2)cc(-c2nnn[n-]2)n1 ZINC001578636401 1276085712 /nfs/dbraw/zinc/08/57/12/1276085712.db2.gz AHZBSWKQAYQYLB-JTQLQIEISA-N -1 1 355.406 0.830 20 30 FCEDMM CCc1nc(NC2(CNC(=O)[C@@H](C)C#N)CCC2)cc(-c2nn[n-]n2)n1 ZINC001578636401 1276085724 /nfs/dbraw/zinc/08/57/24/1276085724.db2.gz AHZBSWKQAYQYLB-JTQLQIEISA-N -1 1 355.406 0.830 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001578921630 1276465073 /nfs/dbraw/zinc/46/50/73/1276465073.db2.gz VJBAKRCYJJUMHS-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001578921630 1276465078 /nfs/dbraw/zinc/46/50/78/1276465078.db2.gz VJBAKRCYJJUMHS-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CC(=O)Nc1cc(F)cc(F)c1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579010863 1276585944 /nfs/dbraw/zinc/58/59/44/1276585944.db2.gz NTWHGLGPWIRJCV-UHFFFAOYSA-N -1 1 371.311 0.881 20 30 FCEDMM CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579092811 1276735294 /nfs/dbraw/zinc/73/52/94/1276735294.db2.gz JFIWDQWJBWJLJQ-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579092811 1276735304 /nfs/dbraw/zinc/73/53/04/1276735304.db2.gz JFIWDQWJBWJLJQ-JTQLQIEISA-N -1 1 371.405 0.974 20 30 FCEDMM CN(C[C@H]1COc2ccccc2O1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579104170 1276765241 /nfs/dbraw/zinc/76/52/41/1276765241.db2.gz BRQVWJFCFXSPHD-JTQLQIEISA-N -1 1 350.342 0.805 20 30 FCEDMM CN(C[C@H]1COc2ccccc2O1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579104170 1276765252 /nfs/dbraw/zinc/76/52/52/1276765252.db2.gz BRQVWJFCFXSPHD-JTQLQIEISA-N -1 1 350.342 0.805 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1nccnc1-c1nnn[n-]1 ZINC001579124675 1276803868 /nfs/dbraw/zinc/80/38/68/1276803868.db2.gz QKEKFQDVRSPZOH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1cc(C#N)c[nH]1)c1nccnc1-c1nn[n-]n1 ZINC001579124675 1276803886 /nfs/dbraw/zinc/80/38/86/1276803886.db2.gz QKEKFQDVRSPZOH-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001579131221 1276824538 /nfs/dbraw/zinc/82/45/38/1276824538.db2.gz ZXZGXKBRQPIIOP-VHSXEESVSA-N -1 1 358.410 0.438 20 30 FCEDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001579131221 1276824557 /nfs/dbraw/zinc/82/45/57/1276824557.db2.gz ZXZGXKBRQPIIOP-VHSXEESVSA-N -1 1 358.410 0.438 20 30 FCEDMM CN(CCc1cccc(C#N)c1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001579231396 1277038909 /nfs/dbraw/zinc/03/89/09/1277038909.db2.gz CDPABDPZBLHPMX-UHFFFAOYSA-N -1 1 369.410 0.997 20 30 FCEDMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579253336 1277051088 /nfs/dbraw/zinc/05/10/88/1277051088.db2.gz NFIMKUCCBXWZIW-UHFFFAOYSA-N -1 1 370.398 0.568 20 30 FCEDMM COC(=O)CCN(Cc1ccncc1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579448006 1277336699 /nfs/dbraw/zinc/33/66/99/1277336699.db2.gz UPRSFNDOABIGFN-UHFFFAOYSA-N -1 1 365.357 0.493 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)n(C)c1C ZINC001579478537 1277384923 /nfs/dbraw/zinc/38/49/23/1277384923.db2.gz LQEDMSXDUSMNEB-UHFFFAOYSA-N -1 1 353.346 0.574 20 30 FCEDMM COC(=O)c1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)n(C)c1C ZINC001579478537 1277384934 /nfs/dbraw/zinc/38/49/34/1277384934.db2.gz LQEDMSXDUSMNEB-UHFFFAOYSA-N -1 1 353.346 0.574 20 30 FCEDMM COC(=O)c1cc(F)cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001579479254 1277387512 /nfs/dbraw/zinc/38/75/12/1277387512.db2.gz GGAIZPWBDRIUBC-UHFFFAOYSA-N -1 1 356.277 0.639 20 30 FCEDMM CS(=O)(=O)C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001580158658 1278022433 /nfs/dbraw/zinc/02/24/33/1278022433.db2.gz MVOQTJWXGIAFGM-GFCCVEGCSA-N -1 1 370.398 0.726 20 30 FCEDMM Cc1cc(C(F)(F)F)nc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)n1 ZINC001580889661 1279097924 /nfs/dbraw/zinc/09/79/24/1279097924.db2.gz SCUFQRJTUCJSSW-UHFFFAOYSA-N -1 1 364.251 0.831 20 30 FCEDMM CC(C)C#CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001603190303 1287326688 /nfs/dbraw/zinc/32/66/88/1287326688.db2.gz XSVPKWAZNFJJDH-UHFFFAOYSA-N -1 1 368.445 0.969 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001603189555 1287326916 /nfs/dbraw/zinc/32/69/16/1287326916.db2.gz OQIOCDFCLXTVHC-UHFFFAOYSA-N -1 1 354.418 0.531 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001603190317 1287327130 /nfs/dbraw/zinc/32/71/30/1287327130.db2.gz XVSDQGONMVUABE-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001603190317 1287327131 /nfs/dbraw/zinc/32/71/31/1287327131.db2.gz XVSDQGONMVUABE-ZDUSSCGKSA-N -1 1 354.418 0.791 20 30 FCEDMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ncc1C#N ZINC001580970495 1279171194 /nfs/dbraw/zinc/17/11/94/1279171194.db2.gz DKXFAAQYGBKYLH-LBPRGKRZSA-N -1 1 362.401 0.947 20 30 FCEDMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ncc1C#N ZINC001580970495 1279171201 /nfs/dbraw/zinc/17/12/01/1279171201.db2.gz DKXFAAQYGBKYLH-LBPRGKRZSA-N -1 1 362.401 0.947 20 30 FCEDMM Cc1cccc(C#N)c1S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581219863 1279512973 /nfs/dbraw/zinc/51/29/73/1279512973.db2.gz RNVHYOLOIWDPSY-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1cccc(C#N)c1S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581219863 1279512982 /nfs/dbraw/zinc/51/29/82/1279512982.db2.gz RNVHYOLOIWDPSY-UHFFFAOYSA-N -1 1 361.412 0.982 20 30 FCEDMM Cc1cccnc1NC(=O)CCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581266175 1279544927 /nfs/dbraw/zinc/54/49/27/1279544927.db2.gz HPNMZZKTPAWRGW-UHFFFAOYSA-N -1 1 350.346 0.673 20 30 FCEDMM Cc1cccnc1NC(=O)CCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581266175 1279544940 /nfs/dbraw/zinc/54/49/40/1279544940.db2.gz HPNMZZKTPAWRGW-UHFFFAOYSA-N -1 1 350.346 0.673 20 30 FCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nnn[n-]1 ZINC001581593677 1280193085 /nfs/dbraw/zinc/19/30/85/1280193085.db2.gz NWVHYKAEZAUASI-UHFFFAOYSA-N -1 1 352.358 0.992 20 30 FCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nn[n-]n1 ZINC001581593677 1280193088 /nfs/dbraw/zinc/19/30/88/1280193088.db2.gz NWVHYKAEZAUASI-UHFFFAOYSA-N -1 1 352.358 0.992 20 30 FCEDMM Cc1nsc(N2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001581684081 1280390000 /nfs/dbraw/zinc/39/00/00/1280390000.db2.gz KGUFRFSUMUPBDJ-IEBDPFPHSA-N -1 1 358.431 0.686 20 30 FCEDMM Cn1ccnc1[C@@H](O)C1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001581798124 1280522346 /nfs/dbraw/zinc/52/23/46/1280522346.db2.gz ZRWDINHCJLUHBP-AWEZNQCLSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1nc(-c2ccncc2)cc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581821143 1280567319 /nfs/dbraw/zinc/56/73/19/1280567319.db2.gz BKUXUFQEUCZFCU-UHFFFAOYSA-N -1 1 361.329 0.509 20 30 FCEDMM N#CCc1cccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001581859717 1280610313 /nfs/dbraw/zinc/61/03/13/1280610313.db2.gz RPKXWJMJFJRKQU-UHFFFAOYSA-N -1 1 366.341 0.224 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@@H](O)c1cc(Br)no1 ZINC001581860586 1280612561 /nfs/dbraw/zinc/61/25/61/1280612561.db2.gz IHPJKVBEXWAXRG-RXMQYKEDSA-N -1 1 366.139 0.001 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C2([C@H]3CCCCO3)CCOCC2)nc1-c1nn[nH]n1 ZINC001581860294 1280612697 /nfs/dbraw/zinc/61/26/97/1280612697.db2.gz UCUFCNPOILKVNJ-LLVKDONJSA-N -1 1 372.389 0.766 20 30 FCEDMM N#Cc1[n-]c(NC(=O)Cn2cc(C=O)c3ccccc32)nc1-c1nn[nH]n1 ZINC001581860706 1280612871 /nfs/dbraw/zinc/61/28/71/1280612871.db2.gz PANZARJLYJMPNK-UHFFFAOYSA-N -1 1 361.325 0.867 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2COc3cc(F)ccc3C2)nc1-c1nn[nH]n1 ZINC001581860136 1280613063 /nfs/dbraw/zinc/61/30/63/1280613063.db2.gz LQYPCTSACKBPLK-QMMMGPOBSA-N -1 1 354.305 0.790 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCO[C@H](c3ccccc3)O2)nc1-c1nn[nH]n1 ZINC001581860217 1280614130 /nfs/dbraw/zinc/61/41/30/1280614130.db2.gz PONGJNBLEDGOSF-ABAIWWIYSA-N -1 1 366.341 0.904 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)nc1-c1nn[nH]n1 ZINC001581860801 1280614617 /nfs/dbraw/zinc/61/46/17/1280614617.db2.gz UBZOYDIOFQNEAY-KOLCDFICSA-N -1 1 369.389 0.581 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864348 1280615442 /nfs/dbraw/zinc/61/54/42/1280615442.db2.gz RVCHCPVFJCMLBC-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864348 1280615455 /nfs/dbraw/zinc/61/54/55/1280615455.db2.gz RVCHCPVFJCMLBC-SNVBAGLBSA-N -1 1 364.373 0.431 20 30 FCEDMM N#Cc1cc(C(F)(F)F)cc(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001581864945 1280617684 /nfs/dbraw/zinc/61/76/84/1280617684.db2.gz WVJITGYLQPGNIP-UHFFFAOYSA-N -1 1 350.268 0.856 20 30 FCEDMM N#Cc1cc(CS(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)cs1 ZINC001581866744 1280619903 /nfs/dbraw/zinc/61/99/03/1280619903.db2.gz SHQZXNIXEFTVPP-UHFFFAOYSA-N -1 1 367.441 0.876 20 30 FCEDMM N#Cc1cc(CS(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)cs1 ZINC001581866744 1280619908 /nfs/dbraw/zinc/61/99/08/1280619908.db2.gz SHQZXNIXEFTVPP-UHFFFAOYSA-N -1 1 367.441 0.876 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)c[nH]1 ZINC001581865456 1280620600 /nfs/dbraw/zinc/62/06/00/1280620600.db2.gz JYQLJNNHBRLWPU-CYBMUJFWSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)c[nH]1 ZINC001581865456 1280620604 /nfs/dbraw/zinc/62/06/04/1280620604.db2.gz JYQLJNNHBRLWPU-CYBMUJFWSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]1 ZINC001581868225 1280625731 /nfs/dbraw/zinc/62/57/31/1280625731.db2.gz MYWQMPMEUDZPGY-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)[nH]1 ZINC001581868225 1280625737 /nfs/dbraw/zinc/62/57/37/1280625737.db2.gz MYWQMPMEUDZPGY-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(OC2CN(C(=O)Cc3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC001581873761 1280630709 /nfs/dbraw/zinc/63/07/09/1280630709.db2.gz OQWUUUKATVQIBB-UHFFFAOYSA-N -1 1 361.365 0.966 20 30 FCEDMM N#Cc1ccc(OC2CN(C(=O)Cc3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC001581873761 1280630718 /nfs/dbraw/zinc/63/07/18/1280630718.db2.gz OQWUUUKATVQIBB-UHFFFAOYSA-N -1 1 361.365 0.966 20 30 FCEDMM N#Cc1nc(N2CC[C@](O)(c3ccc(F)cc3)C2)cnc1-c1nnn[n-]1 ZINC001581878214 1280633880 /nfs/dbraw/zinc/63/38/80/1280633880.db2.gz BIWLQHWALMSMDU-MRXNPFEDSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1nc(N2CC[C@](O)(c3ccc(F)cc3)C2)cnc1-c1nn[n-]n1 ZINC001581878214 1280633887 /nfs/dbraw/zinc/63/38/87/1280633887.db2.gz BIWLQHWALMSMDU-MRXNPFEDSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1nc(N2CCO[C@H](COc3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001581879684 1280637327 /nfs/dbraw/zinc/63/73/27/1280637327.db2.gz UEWKIXGHYUVGPW-ZDUSSCGKSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1nc(N2CCO[C@H](COc3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001581879684 1280637338 /nfs/dbraw/zinc/63/73/38/1280637338.db2.gz UEWKIXGHYUVGPW-ZDUSSCGKSA-N -1 1 364.369 0.813 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001581879822 1280637961 /nfs/dbraw/zinc/63/79/61/1280637961.db2.gz ZFGIHXVBGIJVTP-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001581879822 1280637974 /nfs/dbraw/zinc/63/79/74/1280637974.db2.gz ZFGIHXVBGIJVTP-UHFFFAOYSA-N -1 1 367.417 0.757 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(C(=O)N3CCCC3)C2)cnc1-c1nnn[n-]1 ZINC001581880427 1280638387 /nfs/dbraw/zinc/63/83/87/1280638387.db2.gz JDQLAWOMEWDHPS-NSHDSACASA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1nc(N[C@H]2CCCN(C(=O)N3CCCC3)C2)cnc1-c1nn[n-]n1 ZINC001581880427 1280638393 /nfs/dbraw/zinc/63/83/93/1280638393.db2.gz JDQLAWOMEWDHPS-NSHDSACASA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](N3CCCC3=O)CC2)cnc1-c1nnn[n-]1 ZINC001581879388 1280638867 /nfs/dbraw/zinc/63/88/67/1280638867.db2.gz INYIFPFAFNMJSU-NSHDSACASA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](N3CCCC3=O)CC2)cnc1-c1nn[n-]n1 ZINC001581879388 1280638875 /nfs/dbraw/zinc/63/88/75/1280638875.db2.gz INYIFPFAFNMJSU-NSHDSACASA-N -1 1 353.390 0.510 20 30 FCEDMM N#Cc1nc(N[C@H]2CC(=O)N(c3ccccc3F)C2)cnc1-c1nnn[n-]1 ZINC001581880506 1280639357 /nfs/dbraw/zinc/63/93/57/1280639357.db2.gz MKRASXJUFWUWOH-VIFPVBQESA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@H]2CC(=O)N(c3ccccc3F)C2)cnc1-c1nn[n-]n1 ZINC001581880506 1280639371 /nfs/dbraw/zinc/63/93/71/1280639371.db2.gz MKRASXJUFWUWOH-VIFPVBQESA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cnc1-c1nnn[n-]1 ZINC001581880977 1280640981 /nfs/dbraw/zinc/64/09/81/1280640981.db2.gz CJRXXBWXSIUVOF-OTYXRUKQSA-N -1 1 351.330 0.571 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cnc1-c1nn[n-]n1 ZINC001581880977 1280640987 /nfs/dbraw/zinc/64/09/87/1280640987.db2.gz CJRXXBWXSIUVOF-OTYXRUKQSA-N -1 1 351.330 0.571 20 30 FCEDMM N#Cc1ncc(N2CC[C@](O)(c3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001581882114 1280642555 /nfs/dbraw/zinc/64/25/55/1280642555.db2.gz LPMPLKMOHREUAB-MRXNPFEDSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1ncc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882777 1280643936 /nfs/dbraw/zinc/64/39/36/1280643936.db2.gz HBVSAYVEXUWPBI-RISCZKNCSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1ncc(NC[C@H](N2CCOCC2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581882520 1280645354 /nfs/dbraw/zinc/64/53/54/1280645354.db2.gz BTRHBWGIKABTHW-VIFPVBQESA-N -1 1 369.311 0.203 20 30 FCEDMM N#Cc1ncc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc1-c1nn[n-]n1 ZINC001581883145 1280646964 /nfs/dbraw/zinc/64/69/64/1280646964.db2.gz PGNJREXGUHAZPE-WDEREUQCSA-N -1 1 361.369 0.314 20 30 FCEDMM N#Cc1ncc(N2CCn3c(cnc3C(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581883248 1280647317 /nfs/dbraw/zinc/64/73/17/1280647317.db2.gz SQQHCRGKZSVTBI-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1ncc(N2CCNC(=O)[C@H]2CC2CCCCC2)nc1-c1nn[n-]n1 ZINC001581883180 1280647928 /nfs/dbraw/zinc/64/79/28/1280647928.db2.gz QTCUSDJAVUVXCP-CYBMUJFWSA-N -1 1 367.417 0.804 20 30 FCEDMM N#Cc1ncc(NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)nc1-c1nn[n-]n1 ZINC001581883893 1280649763 /nfs/dbraw/zinc/64/97/63/1280649763.db2.gz AVHIUFBBCZQLLD-PBINXNQUSA-N -1 1 360.403 0.296 20 30 FCEDMM N#Cc1ncc(NC[C@]2(N3CCOCC3)CCSC2)nc1-c1nn[n-]n1 ZINC001581884019 1280650360 /nfs/dbraw/zinc/65/03/60/1280650360.db2.gz HFXYERYTNVCKST-OAHLLOKOSA-N -1 1 373.446 0.148 20 30 FCEDMM N#Cc1ncc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)nc1-c1nn[n-]n1 ZINC001581884152 1280650458 /nfs/dbraw/zinc/65/04/58/1280650458.db2.gz MXBRBVVBEVXTLC-YGRLFVJLSA-N -1 1 356.390 0.508 20 30 FCEDMM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001603610676 1287442509 /nfs/dbraw/zinc/44/25/09/1287442509.db2.gz DBJIYBWZANZRAK-MRVPVSSYSA-N -1 1 357.378 0.485 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001603643932 1287455278 /nfs/dbraw/zinc/45/52/78/1287455278.db2.gz WRUOMGHJNFCOQW-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001603643932 1287455284 /nfs/dbraw/zinc/45/52/84/1287455284.db2.gz WRUOMGHJNFCOQW-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687990 1287470697 /nfs/dbraw/zinc/47/06/97/1287470697.db2.gz SFWPCCVWXIDARO-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001603687990 1287470700 /nfs/dbraw/zinc/47/07/00/1287470700.db2.gz SFWPCCVWXIDARO-WCQYABFASA-N -1 1 352.402 0.719 20 30 FCEDMM CC(C)[C@@H](CNC(=O)N1CCC(C#N)(C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001603721860 1287479239 /nfs/dbraw/zinc/47/92/39/1287479239.db2.gz FTRFWBHXDAIKRJ-OAHLLOKOSA-N -1 1 365.478 0.658 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001603851984 1287518934 /nfs/dbraw/zinc/51/89/34/1287518934.db2.gz IOJZYYPNLBRXAL-MNOVXSKESA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1c1cnc(-c2nn[n-]n2)cn1 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ZINC001588361587 1282484465 /nfs/dbraw/zinc/48/44/65/1282484465.db2.gz PVYHOOLHXOUMRO-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588361687 1282484508 /nfs/dbraw/zinc/48/45/08/1282484508.db2.gz QXEBDJOZCOOQOK-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588361687 1282484517 /nfs/dbraw/zinc/48/45/17/1282484517.db2.gz QXEBDJOZCOOQOK-UHFFFAOYSA-N -1 1 356.390 0.003 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588362822 1282489644 /nfs/dbraw/zinc/48/96/44/1282489644.db2.gz WKCZAIIMSQOIIE-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#CCOCCC(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588362822 1282489647 /nfs/dbraw/zinc/48/96/47/1282489647.db2.gz WKCZAIIMSQOIIE-QMMMGPOBSA-N -1 1 369.838 0.933 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364500 1282490773 /nfs/dbraw/zinc/49/07/73/1282490773.db2.gz HMLKAEAZNYOUHH-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364500 1282490777 /nfs/dbraw/zinc/49/07/77/1282490777.db2.gz HMLKAEAZNYOUHH-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)cn1 ZINC001588364515 1282490937 /nfs/dbraw/zinc/49/09/37/1282490937.db2.gz HOWOMPAHXKNZJB-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)cn1 ZINC001588364515 1282490943 /nfs/dbraw/zinc/49/09/43/1282490943.db2.gz HOWOMPAHXKNZJB-LLVKDONJSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001588365273 1282492312 /nfs/dbraw/zinc/49/23/12/1282492312.db2.gz RZVVQVZWOCIBFY-UHFFFAOYSA-N -1 1 363.385 0.241 20 30 FCEDMM C#Cc1ccc(C(=O)NCCNc2snc(C)c2-c2nn[n-]n2)nc1 ZINC001588370243 1282493212 /nfs/dbraw/zinc/49/32/12/1282493212.db2.gz VKNVUYYVHKSMGD-UHFFFAOYSA-N -1 1 354.399 0.850 20 30 FCEDMM C#Cc1ccc(C(=O)NCCNc2cc(-c3nnn[n-]3)nc(CC)n2)nc1 ZINC001588371343 1282493671 /nfs/dbraw/zinc/49/36/71/1282493671.db2.gz DEDKTJGOUONSEB-UHFFFAOYSA-N -1 1 363.385 0.437 20 30 FCEDMM C#Cc1ccc(C(=O)NCCNc2cc(-c3nn[n-]n3)nc(CC)n2)nc1 ZINC001588371343 1282493677 /nfs/dbraw/zinc/49/36/77/1282493677.db2.gz DEDKTJGOUONSEB-UHFFFAOYSA-N -1 1 363.385 0.437 20 30 FCEDMM C#Cc1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC001588367844 1282493702 /nfs/dbraw/zinc/49/37/02/1282493702.db2.gz OCVAVXGAGJVICS-UHFFFAOYSA-N -1 1 365.422 0.919 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001588368732 1282494232 /nfs/dbraw/zinc/49/42/32/1282494232.db2.gz XONONAABJXMIJP-LLVKDONJSA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001588377339 1282495019 /nfs/dbraw/zinc/49/50/19/1282495019.db2.gz WDBAPFZMUJRARC-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1cncc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001588377339 1282495029 /nfs/dbraw/zinc/49/50/29/1282495029.db2.gz WDBAPFZMUJRARC-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588391918 1282497064 /nfs/dbraw/zinc/49/70/64/1282497064.db2.gz RKDDSEDNRDIMKE-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C=C(C)C(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588391918 1282497069 /nfs/dbraw/zinc/49/70/69/1282497069.db2.gz RKDDSEDNRDIMKE-UHFFFAOYSA-N -1 1 360.422 0.492 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001588380934 1282498240 /nfs/dbraw/zinc/49/82/40/1282498240.db2.gz PVVWTDQYZFQBHT-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001588380934 1282498243 /nfs/dbraw/zinc/49/82/43/1282498243.db2.gz PVVWTDQYZFQBHT-MNOVXSKESA-N -1 1 363.385 0.652 20 30 FCEDMM C=C(C)[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)OCC ZINC001588403276 1282499547 /nfs/dbraw/zinc/49/95/47/1282499547.db2.gz ZEVULJIEFGSCGT-CYBMUJFWSA-N -1 1 374.449 0.923 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC001588410777 1282501483 /nfs/dbraw/zinc/50/14/83/1282501483.db2.gz VLVUVLRFBHCWCO-LBPRGKRZSA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OCC ZINC001588410777 1282501491 /nfs/dbraw/zinc/50/14/91/1282501491.db2.gz VLVUVLRFBHCWCO-LBPRGKRZSA-N -1 1 366.403 0.438 20 30 FCEDMM C=C(C)CCC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001588410120 1282503173 /nfs/dbraw/zinc/50/31/73/1282503173.db2.gz MEGDYJMBSRRBTC-CHWSQXEVSA-N -1 1 356.434 0.941 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001588417743 1282505772 /nfs/dbraw/zinc/50/57/72/1282505772.db2.gz DPHWMELXJLMFJO-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C(C)CCC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001588417743 1282505781 /nfs/dbraw/zinc/50/57/81/1282505781.db2.gz DPHWMELXJLMFJO-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=C1CC(C)(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001588447982 1282507116 /nfs/dbraw/zinc/50/71/16/1282507116.db2.gz OYXCFWLJCFFAMW-UHFFFAOYSA-N -1 1 358.406 0.246 20 30 FCEDMM C=C1CC(C)(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001588447982 1282507125 /nfs/dbraw/zinc/50/71/25/1282507125.db2.gz OYXCFWLJCFFAMW-UHFFFAOYSA-N -1 1 358.406 0.246 20 30 FCEDMM C=C1CC(C)(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588448447 1282507258 /nfs/dbraw/zinc/50/72/58/1282507258.db2.gz ZCEBIFYCRBMLBM-UHFFFAOYSA-N -1 1 354.418 0.836 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588443453 1282507609 /nfs/dbraw/zinc/50/76/09/1282507609.db2.gz RFRDSYUIKWBRPH-FZMZJTMJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588443453 1282507617 /nfs/dbraw/zinc/50/76/17/1282507617.db2.gz RFRDSYUIKWBRPH-FZMZJTMJSA-N -1 1 358.406 0.190 20 30 FCEDMM C=C1CC(C)(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001588448894 1282508451 /nfs/dbraw/zinc/50/84/51/1282508451.db2.gz HEDGCNFIKWSJAQ-GFCCVEGCSA-N -1 1 354.418 0.695 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588442718 1282509128 /nfs/dbraw/zinc/50/91/28/1282509128.db2.gz JZEXGCOMELHZIW-FNJUNIPDSA-N -1 1 370.417 0.722 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588442718 1282509138 /nfs/dbraw/zinc/50/91/38/1282509138.db2.gz JZEXGCOMELHZIW-FNJUNIPDSA-N -1 1 370.417 0.722 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588476846 1282516164 /nfs/dbraw/zinc/51/61/64/1282516164.db2.gz XXZNOWSYTXXELD-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588476846 1282516170 /nfs/dbraw/zinc/51/61/70/1282516170.db2.gz XXZNOWSYTXXELD-NSHDSACASA-N -1 1 358.406 0.190 20 30 FCEDMM C=CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588477881 1282516269 /nfs/dbraw/zinc/51/62/69/1282516269.db2.gz JHCKBMWWIPFNSR-GHMZBOCLSA-N -1 1 358.406 0.189 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588475783 1282517988 /nfs/dbraw/zinc/51/79/88/1282517988.db2.gz SHXRMKKWXJFZGN-KRWDZBQOSA-N -1 1 372.433 0.235 20 30 FCEDMM C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588475783 1282518003 /nfs/dbraw/zinc/51/80/03/1282518003.db2.gz SHXRMKKWXJFZGN-KRWDZBQOSA-N -1 1 372.433 0.235 20 30 FCEDMM C=CC(C)(C)CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588484582 1282518912 /nfs/dbraw/zinc/51/89/12/1282518912.db2.gz IFGIHYCDPOHFOV-UHFFFAOYSA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001588493666 1282523208 /nfs/dbraw/zinc/52/32/08/1282523208.db2.gz JVPOTZAEKHCZPR-SJCJKPOMSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588493409 1282524368 /nfs/dbraw/zinc/52/43/68/1282524368.db2.gz FFFBMFQXBYUBEL-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588493409 1282524372 /nfs/dbraw/zinc/52/43/72/1282524372.db2.gz FFFBMFQXBYUBEL-IRXDYDNUSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588498481 1282526260 /nfs/dbraw/zinc/52/62/60/1282526260.db2.gz AIABQOMAMIFXAO-SJKOYZFVSA-N -1 1 372.433 0.269 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501148 1282535410 /nfs/dbraw/zinc/53/54/10/1282535410.db2.gz KHVMQXADKRYBEY-BDJLRTHQSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588501151 1282535558 /nfs/dbraw/zinc/53/55/58/1282535558.db2.gz KHVMQXADKRYBEY-ZBEGNZNMSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588501990 1282537072 /nfs/dbraw/zinc/53/70/72/1282537072.db2.gz PUQMXBZXOCXEIS-IAGOWNOFSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588501990 1282537077 /nfs/dbraw/zinc/53/70/77/1282537077.db2.gz PUQMXBZXOCXEIS-IAGOWNOFSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588503217 1282540636 /nfs/dbraw/zinc/54/06/36/1282540636.db2.gz XISVZUVXRQPJON-PSTGCABASA-N -1 1 372.433 0.490 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588503217 1282540644 /nfs/dbraw/zinc/54/06/44/1282540644.db2.gz XISVZUVXRQPJON-PSTGCABASA-N -1 1 372.433 0.490 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001588503610 1282541757 /nfs/dbraw/zinc/54/17/57/1282541757.db2.gz AULOCYVVVXWRRI-INIZCTEOSA-N -1 1 360.422 0.316 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588503817 1282543227 /nfs/dbraw/zinc/54/32/27/1282543227.db2.gz GAUMMVMSQITCAR-YVEFUNNKSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588503817 1282543237 /nfs/dbraw/zinc/54/32/37/1282543237.db2.gz GAUMMVMSQITCAR-YVEFUNNKSA-N -1 1 372.433 0.377 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588505243 1282545376 /nfs/dbraw/zinc/54/53/76/1282545376.db2.gz OCPBECVWNGTWGK-KRWDZBQOSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588505463 1282547062 /nfs/dbraw/zinc/54/70/62/1282547062.db2.gz RKAOQESEQPKNNL-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588505463 1282547069 /nfs/dbraw/zinc/54/70/69/1282547069.db2.gz RKAOQESEQPKNNL-SJCJKPOMSA-N -1 1 372.433 0.316 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588505743 1282547679 /nfs/dbraw/zinc/54/76/79/1282547679.db2.gz WMLVPMPHNMAOEO-KRWDZBQOSA-N -1 1 374.449 0.625 20 30 FCEDMM C=C[C@](C)(O)CC(=O)NCCCN(CC)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588505743 1282547686 /nfs/dbraw/zinc/54/76/86/1282547686.db2.gz WMLVPMPHNMAOEO-KRWDZBQOSA-N -1 1 374.449 0.625 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001588508371 1282550871 /nfs/dbraw/zinc/55/08/71/1282550871.db2.gz PTRKUBZMPVQTKH-GDLVEWKHSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001588508371 1282550878 /nfs/dbraw/zinc/55/08/78/1282550878.db2.gz PTRKUBZMPVQTKH-GDLVEWKHSA-N -1 1 358.406 0.067 20 30 FCEDMM C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1CC ZINC001588507943 1282551828 /nfs/dbraw/zinc/55/18/28/1282551828.db2.gz MUMZJQUTPSHLEU-XWCIJXRUSA-N -1 1 372.433 0.457 20 30 FCEDMM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588522514 1282555316 /nfs/dbraw/zinc/55/53/16/1282555316.db2.gz AUFHSHYLSVFGNO-JHJVBQTASA-N -1 1 356.434 0.988 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588518910 1282556938 /nfs/dbraw/zinc/55/69/38/1282556938.db2.gz OALULSWCUPRJBI-VXGBXAGGSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588518910 1282556947 /nfs/dbraw/zinc/55/69/47/1282556947.db2.gz OALULSWCUPRJBI-VXGBXAGGSA-N -1 1 360.422 0.490 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588524514 1282558702 /nfs/dbraw/zinc/55/87/02/1282558702.db2.gz RBTALDWAGPWGNO-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588524514 1282558713 /nfs/dbraw/zinc/55/87/13/1282558713.db2.gz RBTALDWAGPWGNO-OLZOCXBDSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588532739 1282561007 /nfs/dbraw/zinc/56/10/07/1282561007.db2.gz DMNWYZAWOCGOHV-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588532739 1282561014 /nfs/dbraw/zinc/56/10/14/1282561014.db2.gz DMNWYZAWOCGOHV-GFCCVEGCSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588532665 1282561710 /nfs/dbraw/zinc/56/17/10/1282561710.db2.gz CBKXJQDTMSNIJZ-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588532665 1282561717 /nfs/dbraw/zinc/56/17/17/1282561717.db2.gz CBKXJQDTMSNIJZ-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588542048 1282563721 /nfs/dbraw/zinc/56/37/21/1282563721.db2.gz WCTXCFNNZHLEGF-CYBMUJFWSA-N -1 1 354.418 0.860 20 30 FCEDMM C=CCCC(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588562319 1282566994 /nfs/dbraw/zinc/56/69/94/1282566994.db2.gz MCBCXTGVEFKKNH-JTQLQIEISA-N -1 1 351.436 0.829 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588572073 1282568491 /nfs/dbraw/zinc/56/84/91/1282568491.db2.gz XRTRMFWFVDNOAW-DGCLKSJQSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588572073 1282568501 /nfs/dbraw/zinc/56/85/01/1282568501.db2.gz XRTRMFWFVDNOAW-DGCLKSJQSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588571293 1282569293 /nfs/dbraw/zinc/56/92/93/1282569293.db2.gz IQFFVUNLDADRLW-NWDGAFQWSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588571293 1282569303 /nfs/dbraw/zinc/56/93/03/1282569303.db2.gz IQFFVUNLDADRLW-NWDGAFQWSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588571295 1282569383 /nfs/dbraw/zinc/56/93/83/1282569383.db2.gz IQFFVUNLDADRLW-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588571295 1282569393 /nfs/dbraw/zinc/56/93/93/1282569393.db2.gz IQFFVUNLDADRLW-VXGBXAGGSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588571251 1282569685 /nfs/dbraw/zinc/56/96/85/1282569685.db2.gz IFFUGMSKMJSEBQ-UHFFFAOYSA-N -1 1 372.433 0.379 20 30 FCEDMM C=CCCC(=O)NC1(CO)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588571251 1282569695 /nfs/dbraw/zinc/56/96/95/1282569695.db2.gz IFFUGMSKMJSEBQ-UHFFFAOYSA-N -1 1 372.433 0.379 20 30 FCEDMM C=CCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588570894 1282571181 /nfs/dbraw/zinc/57/11/81/1282571181.db2.gz DTHGGELQDCLVQZ-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588570894 1282571188 /nfs/dbraw/zinc/57/11/88/1282571188.db2.gz DTHGGELQDCLVQZ-GFCCVEGCSA-N -1 1 358.406 0.571 20 30 FCEDMM C=CCCCC(=O)NC[C@@H](CO)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588587335 1282575548 /nfs/dbraw/zinc/57/55/48/1282575548.db2.gz UVKLHJITOKLDHY-JTQLQIEISA-N -1 1 351.436 0.877 20 30 FCEDMM C=CCCCC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588588174 1282577967 /nfs/dbraw/zinc/57/79/67/1282577967.db2.gz FRINFFNEOBRQLB-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCCC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588588174 1282577979 /nfs/dbraw/zinc/57/79/79/1282577979.db2.gz FRINFFNEOBRQLB-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001588590348 1282578217 /nfs/dbraw/zinc/57/82/17/1282578217.db2.gz IWGXUYONLOSCRA-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001588590348 1282578225 /nfs/dbraw/zinc/57/82/25/1282578225.db2.gz IWGXUYONLOSCRA-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001588608191 1282579709 /nfs/dbraw/zinc/57/97/09/1282579709.db2.gz HAARIRNBORZLHL-VXGBXAGGSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001588608191 1282579719 /nfs/dbraw/zinc/57/97/19/1282579719.db2.gz HAARIRNBORZLHL-VXGBXAGGSA-N -1 1 360.422 0.579 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001588611052 1282590399 /nfs/dbraw/zinc/59/03/99/1282590399.db2.gz PUTPVAIWTGJXJX-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001588611052 1282590410 /nfs/dbraw/zinc/59/04/10/1282590410.db2.gz PUTPVAIWTGJXJX-NEPJUHHUSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001588611031 1282590906 /nfs/dbraw/zinc/59/09/06/1282590906.db2.gz POLIGVFWMNLKKF-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001588611031 1282590914 /nfs/dbraw/zinc/59/09/14/1282590914.db2.gz POLIGVFWMNLKKF-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCOCC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588611594 1282591025 /nfs/dbraw/zinc/59/10/25/1282591025.db2.gz UPYHOCDUSYLXKU-LBPRGKRZSA-N -1 1 358.406 0.287 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588615675 1282592735 /nfs/dbraw/zinc/59/27/35/1282592735.db2.gz CFMWFWAVHRBUAZ-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588615675 1282592746 /nfs/dbraw/zinc/59/27/46/1282592746.db2.gz CFMWFWAVHRBUAZ-LBPRGKRZSA-N -1 1 358.406 0.192 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588616228 1282595321 /nfs/dbraw/zinc/59/53/21/1282595321.db2.gz AYNIVRGKNXSDKC-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588616228 1282595331 /nfs/dbraw/zinc/59/53/31/1282595331.db2.gz AYNIVRGKNXSDKC-LBPRGKRZSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588617591 1282599377 /nfs/dbraw/zinc/59/93/77/1282599377.db2.gz WMXZATCIAHEOCH-UHFFFAOYSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588617591 1282599384 /nfs/dbraw/zinc/59/93/84/1282599384.db2.gz WMXZATCIAHEOCH-UHFFFAOYSA-N -1 1 358.406 0.556 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588616854 1282599450 /nfs/dbraw/zinc/59/94/50/1282599450.db2.gz NWJHLUZCIRIMHE-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588616854 1282599458 /nfs/dbraw/zinc/59/94/58/1282599458.db2.gz NWJHLUZCIRIMHE-OLZOCXBDSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCN1CC[C@@H](n2cc(Br)cc(-c3nn[n-]n3)c2=O)C1=O ZINC001588657323 1282607689 /nfs/dbraw/zinc/60/76/89/1282607689.db2.gz JYZMXQBKNCHWKL-SNVBAGLBSA-N -1 1 365.191 0.750 20 30 FCEDMM C=CCNC(=O)CN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001588658653 1282611303 /nfs/dbraw/zinc/61/13/03/1282611303.db2.gz DPNHWBMMUCFIME-UHFFFAOYSA-N -1 1 368.854 0.401 20 30 FCEDMM C=CCNC(=O)CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001588658653 1282611309 /nfs/dbraw/zinc/61/13/09/1282611309.db2.gz DPNHWBMMUCFIME-UHFFFAOYSA-N -1 1 368.854 0.401 20 30 FCEDMM C=CCOCC(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588665311 1282615817 /nfs/dbraw/zinc/61/58/17/1282615817.db2.gz JKZSQTWHESPGKI-LBPRGKRZSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588665311 1282615827 /nfs/dbraw/zinc/61/58/27/1282615827.db2.gz JKZSQTWHESPGKI-LBPRGKRZSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588664992 1282617792 /nfs/dbraw/zinc/61/77/92/1282617792.db2.gz BIHNONAWTTVRPH-JTQLQIEISA-N -1 1 353.379 0.971 20 30 FCEDMM C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588664992 1282617806 /nfs/dbraw/zinc/61/78/06/1282617806.db2.gz BIHNONAWTTVRPH-JTQLQIEISA-N -1 1 353.379 0.971 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588666164 1282620218 /nfs/dbraw/zinc/62/02/18/1282620218.db2.gz BGBWFNXSVKKFEC-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588666164 1282620229 /nfs/dbraw/zinc/62/02/29/1282620229.db2.gz BGBWFNXSVKKFEC-RYUDHWBXSA-N -1 1 358.406 0.508 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588671846 1282625799 /nfs/dbraw/zinc/62/57/99/1282625799.db2.gz OGNQPOKDAJRXPC-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588671846 1282625812 /nfs/dbraw/zinc/62/58/12/1282625812.db2.gz OGNQPOKDAJRXPC-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCOCC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588671967 1282629098 /nfs/dbraw/zinc/62/90/98/1282629098.db2.gz QAADPUFUHBPKHA-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588676186 1282633276 /nfs/dbraw/zinc/63/32/76/1282633276.db2.gz QBCMZWNCESQWHJ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588676186 1282633287 /nfs/dbraw/zinc/63/32/87/1282633287.db2.gz QBCMZWNCESQWHJ-LBPRGKRZSA-N -1 1 372.433 0.580 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001588675910 1282635704 /nfs/dbraw/zinc/63/57/04/1282635704.db2.gz LBFFQTUAYILJAZ-QMMMGPOBSA-N -1 1 369.838 0.874 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001588675910 1282635718 /nfs/dbraw/zinc/63/57/18/1282635718.db2.gz LBFFQTUAYILJAZ-QMMMGPOBSA-N -1 1 369.838 0.874 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588680724 1282637197 /nfs/dbraw/zinc/63/71/97/1282637197.db2.gz ASEBQLYMHNRUJA-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588680724 1282637210 /nfs/dbraw/zinc/63/72/10/1282637210.db2.gz ASEBQLYMHNRUJA-ZDUSSCGKSA-N -1 1 372.433 0.961 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588680674 1282638583 /nfs/dbraw/zinc/63/85/83/1282638583.db2.gz ABYHDZGOCKHGEO-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588680674 1282638594 /nfs/dbraw/zinc/63/85/94/1282638594.db2.gz ABYHDZGOCKHGEO-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001588703756 1282651301 /nfs/dbraw/zinc/65/13/01/1282651301.db2.gz FNDVXHYOEVSWDP-JTQLQIEISA-N -1 1 369.389 0.571 20 30 FCEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001588703756 1282651308 /nfs/dbraw/zinc/65/13/08/1282651308.db2.gz FNDVXHYOEVSWDP-JTQLQIEISA-N -1 1 369.389 0.571 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001588701013 1282652013 /nfs/dbraw/zinc/65/20/13/1282652013.db2.gz ZPCJWJQJMCBPNF-PWSUYJOCSA-N -1 1 368.405 0.650 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](OC)C1 ZINC001588698811 1282653923 /nfs/dbraw/zinc/65/39/23/1282653923.db2.gz BEGDTTNWMNLEOA-GFCCVEGCSA-N -1 1 353.390 0.931 20 30 FCEDMM C=CCn1c(-c2ccnc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](OC)C1 ZINC001588698811 1282653933 /nfs/dbraw/zinc/65/39/33/1282653933.db2.gz BEGDTTNWMNLEOA-GFCCVEGCSA-N -1 1 353.390 0.931 20 30 FCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nn1 ZINC001588712708 1282655161 /nfs/dbraw/zinc/65/51/61/1282655161.db2.gz CALMTCYLQFDNGP-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nn1 ZINC001588712708 1282655177 /nfs/dbraw/zinc/65/51/77/1282655177.db2.gz CALMTCYLQFDNGP-JTQLQIEISA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1nnnc1N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588716197 1282658968 /nfs/dbraw/zinc/65/89/68/1282658968.db2.gz ACRVUKJZTOJCPJ-UHFFFAOYSA-N -1 1 359.423 0.131 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588721278 1282665872 /nfs/dbraw/zinc/66/58/72/1282665872.db2.gz FZRWJMHGBJOVAE-XQQFMLRXSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588721278 1282665890 /nfs/dbraw/zinc/66/58/90/1282665890.db2.gz FZRWJMHGBJOVAE-XQQFMLRXSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588721569 1282668446 /nfs/dbraw/zinc/66/84/46/1282668446.db2.gz LBWADQGFPJQTOR-SCRDCRAPSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588721569 1282668461 /nfs/dbraw/zinc/66/84/61/1282668461.db2.gz LBWADQGFPJQTOR-SCRDCRAPSA-N -1 1 370.417 0.285 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588722485 1282669184 /nfs/dbraw/zinc/66/91/84/1282669184.db2.gz XYXPYPCXSBAZSO-BZPMIXESSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588722485 1282669197 /nfs/dbraw/zinc/66/91/97/1282669197.db2.gz XYXPYPCXSBAZSO-BZPMIXESSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588723524 1282670170 /nfs/dbraw/zinc/67/01/70/1282670170.db2.gz OPABIOUSETZBIM-WZRBSPASSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588723524 1282670188 /nfs/dbraw/zinc/67/01/88/1282670188.db2.gz OPABIOUSETZBIM-WZRBSPASSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588722877 1282670438 /nfs/dbraw/zinc/67/04/38/1282670438.db2.gz DGIJAHKFSHKZAI-QDSCNLCFSA-N -1 1 370.417 0.641 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588722877 1282670444 /nfs/dbraw/zinc/67/04/44/1282670444.db2.gz DGIJAHKFSHKZAI-QDSCNLCFSA-N -1 1 370.417 0.641 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588724169 1282670823 /nfs/dbraw/zinc/67/08/23/1282670823.db2.gz WZFHHFDCLAXGTE-XQQFMLRXSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588724169 1282670835 /nfs/dbraw/zinc/67/08/35/1282670835.db2.gz WZFHHFDCLAXGTE-XQQFMLRXSA-N -1 1 370.417 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588723111 1282671113 /nfs/dbraw/zinc/67/11/13/1282671113.db2.gz HGSAUYIKKCLRHV-PWSUYJOCSA-N -1 1 356.390 0.309 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588723111 1282671129 /nfs/dbraw/zinc/67/11/29/1282671129.db2.gz HGSAUYIKKCLRHV-PWSUYJOCSA-N -1 1 356.390 0.309 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001588723306 1282672283 /nfs/dbraw/zinc/67/22/83/1282672283.db2.gz KSGPJBJHPBYXAN-WZRBSPASSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001588723306 1282672296 /nfs/dbraw/zinc/67/22/96/1282672296.db2.gz KSGPJBJHPBYXAN-WZRBSPASSA-N -1 1 358.406 0.412 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588724174 1282672457 /nfs/dbraw/zinc/67/24/57/1282672457.db2.gz WZZYAUBJKLTYEY-NEPJUHHUSA-N -1 1 358.406 0.190 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001588722907 1282673443 /nfs/dbraw/zinc/67/34/43/1282673443.db2.gz DPFCBHBSPNLVJW-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001588722907 1282673456 /nfs/dbraw/zinc/67/34/56/1282673456.db2.gz DPFCBHBSPNLVJW-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588736600 1282677480 /nfs/dbraw/zinc/67/74/80/1282677480.db2.gz BGNYBKZUYXRAJY-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588736600 1282677495 /nfs/dbraw/zinc/67/74/95/1282677495.db2.gz BGNYBKZUYXRAJY-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588737124 1282677880 /nfs/dbraw/zinc/67/78/80/1282677880.db2.gz AWAFZPYTVWSRPA-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588737124 1282677898 /nfs/dbraw/zinc/67/78/98/1282677898.db2.gz AWAFZPYTVWSRPA-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001588737562 1282678293 /nfs/dbraw/zinc/67/82/93/1282678293.db2.gz GILZCIDOXUKOGT-SECBINFHSA-N -1 1 355.807 0.573 20 30 FCEDMM CC#CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001588737562 1282678299 /nfs/dbraw/zinc/67/82/99/1282678299.db2.gz GILZCIDOXUKOGT-SECBINFHSA-N -1 1 355.807 0.573 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588736599 1282678965 /nfs/dbraw/zinc/67/89/65/1282678965.db2.gz BGNYBKZUYXRAJY-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588736599 1282678976 /nfs/dbraw/zinc/67/89/76/1282678976.db2.gz BGNYBKZUYXRAJY-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588743564 1282681369 /nfs/dbraw/zinc/68/13/69/1282681369.db2.gz GDDCZERGWBYEQB-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM CC#CCCCC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588743564 1282681379 /nfs/dbraw/zinc/68/13/79/1282681379.db2.gz GDDCZERGWBYEQB-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C[C@](C#N)(NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001588924489 1282726883 /nfs/dbraw/zinc/72/68/83/1282726883.db2.gz RPNUGQGPVGDBBE-MRXNPFEDSA-N -1 1 372.389 0.108 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001588926760 1282729765 /nfs/dbraw/zinc/72/97/65/1282729765.db2.gz URQQTNADWPBSEY-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001588926760 1282729775 /nfs/dbraw/zinc/72/97/75/1282729775.db2.gz URQQTNADWPBSEY-MEDUHNTESA-N -1 1 353.390 0.245 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588929205 1282731255 /nfs/dbraw/zinc/73/12/55/1282731255.db2.gz PSWXADDUQZDQSL-LLVKDONJSA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@H](C#N)C(=O)NCCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588929205 1282731268 /nfs/dbraw/zinc/73/12/68/1282731268.db2.gz PSWXADDUQZDQSL-LLVKDONJSA-N -1 1 353.390 0.459 20 30 FCEDMM C[C@H](C(=O)OCC(=O)Cc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589027113 1282778275 /nfs/dbraw/zinc/77/82/75/1282778275.db2.gz LUJIUVDFWFYUOC-SNVBAGLBSA-N -1 1 366.341 0.246 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589157464 1282812246 /nfs/dbraw/zinc/81/22/46/1282812246.db2.gz BNYURLCPNYXQNY-VHSXEESVSA-N -1 1 357.378 0.250 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)[C@@H](C#N)C1 ZINC001589158285 1282812801 /nfs/dbraw/zinc/81/28/01/1282812801.db2.gz WMMVENIBALLWMN-GWCFXTLKSA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)[C@@H](C#N)C1 ZINC001589158285 1282812807 /nfs/dbraw/zinc/81/28/07/1282812807.db2.gz WMMVENIBALLWMN-GWCFXTLKSA-N -1 1 356.390 0.855 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589380027 1282855594 /nfs/dbraw/zinc/85/55/94/1282855594.db2.gz JMNHJMYBCBFCGX-UHFFFAOYSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001589380274 1282856242 /nfs/dbraw/zinc/85/62/42/1282856242.db2.gz RHJCQKHZSMOLJW-GFCCVEGCSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001589380274 1282856254 /nfs/dbraw/zinc/85/62/54/1282856254.db2.gz RHJCQKHZSMOLJW-GFCCVEGCSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589380067 1282856603 /nfs/dbraw/zinc/85/66/03/1282856603.db2.gz LDNDCBTXLBAOLS-QGZVFWFLSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589380067 1282856608 /nfs/dbraw/zinc/85/66/08/1282856608.db2.gz LDNDCBTXLBAOLS-QGZVFWFLSA-N -1 1 354.418 0.967 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001589380163 1282857906 /nfs/dbraw/zinc/85/79/06/1282857906.db2.gz OCTHCZUCBXOPNG-ZDUSSCGKSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001589380163 1282857914 /nfs/dbraw/zinc/85/79/14/1282857914.db2.gz OCTHCZUCBXOPNG-ZDUSSCGKSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589384166 1282858467 /nfs/dbraw/zinc/85/84/67/1282858467.db2.gz AYEUFENTXAEWGF-UHFFFAOYSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589384166 1282858485 /nfs/dbraw/zinc/85/84/85/1282858485.db2.gz AYEUFENTXAEWGF-UHFFFAOYSA-N -1 1 370.417 0.082 20 30 FCEDMM CC(C)C#CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001589385255 1282859252 /nfs/dbraw/zinc/85/92/52/1282859252.db2.gz YCFARMOYFYWKOS-AWEZNQCLSA-N -1 1 368.445 0.921 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001589385254 1282861395 /nfs/dbraw/zinc/86/13/95/1282861395.db2.gz YBXUCKFYXRKRCM-TZMCWYRMSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001589385254 1282861401 /nfs/dbraw/zinc/86/14/01/1282861401.db2.gz YBXUCKFYXRKRCM-TZMCWYRMSA-N -1 1 370.417 0.344 20 30 FCEDMM CC(C)C#CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001589387164 1282863355 /nfs/dbraw/zinc/86/33/55/1282863355.db2.gz HGCCSZLVVXZCNO-CYBMUJFWSA-N -1 1 354.418 0.791 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001604306794 1287604390 /nfs/dbraw/zinc/60/43/90/1287604390.db2.gz UJLCKIGCTIBCJR-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001604306794 1287604398 /nfs/dbraw/zinc/60/43/98/1287604398.db2.gz UJLCKIGCTIBCJR-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM C[C@H](CCCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589820788 1283059468 /nfs/dbraw/zinc/05/94/68/1283059468.db2.gz MPZKIHBTTPYCFP-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@H](CCCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589820788 1283059481 /nfs/dbraw/zinc/05/94/81/1283059481.db2.gz MPZKIHBTTPYCFP-SNVBAGLBSA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589913342 1283123047 /nfs/dbraw/zinc/12/30/47/1283123047.db2.gz LSMGZNHYGMDQIN-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589913342 1283123053 /nfs/dbraw/zinc/12/30/53/1283123053.db2.gz LSMGZNHYGMDQIN-TZMCWYRMSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@]1(CNC(=O)C#CC2CC2)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001590129722 1283231727 /nfs/dbraw/zinc/23/17/27/1283231727.db2.gz SAAJFUTWJPQZBR-GOSISDBHSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@]1(CNC(=O)C#CC2CC2)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001590129722 1283231730 /nfs/dbraw/zinc/23/17/30/1283231730.db2.gz SAAJFUTWJPQZBR-GOSISDBHSA-N -1 1 366.429 0.793 20 30 FCEDMM C[C@H]1[C@H](NC(=O)CSCC#N)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590169835 1283264992 /nfs/dbraw/zinc/26/49/92/1283264992.db2.gz DNQXVYRKKLGGGG-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590174768 1283276787 /nfs/dbraw/zinc/27/67/87/1283276787.db2.gz GMPZODGPCPLTOZ-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590174768 1283276794 /nfs/dbraw/zinc/27/67/94/1283276794.db2.gz GMPZODGPCPLTOZ-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CSCC#N ZINC001590174767 1283277462 /nfs/dbraw/zinc/27/74/62/1283277462.db2.gz GMPZODGPCPLTOZ-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CSCC#N ZINC001590174767 1283277466 /nfs/dbraw/zinc/27/74/66/1283277466.db2.gz GMPZODGPCPLTOZ-UWVGGRQHSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001590238818 1283372465 /nfs/dbraw/zinc/37/24/65/1283372465.db2.gz IVERANLODJNBOU-QLJPJBMISA-N -1 1 372.389 0.108 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590298574 1283432852 /nfs/dbraw/zinc/43/28/52/1283432852.db2.gz VZXHFLLWMTUITL-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590298574 1283432864 /nfs/dbraw/zinc/43/28/64/1283432864.db2.gz VZXHFLLWMTUITL-RNCFNFMXSA-N -1 1 364.373 0.429 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001604495730 1287649544 /nfs/dbraw/zinc/64/95/44/1287649544.db2.gz KCXUBULGJVWNFX-WDEREUQCSA-N -1 1 373.446 0.387 20 30 FCEDMM CCCC(=O)NC[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590538086 1283597752 /nfs/dbraw/zinc/59/77/52/1283597752.db2.gz VLZINWDHEFANQC-NSHDSACASA-N -1 1 355.406 0.661 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001604543405 1287653129 /nfs/dbraw/zinc/65/31/29/1287653129.db2.gz KHZHZLXFYLXHOV-RYUDHWBXSA-N -1 1 369.433 0.854 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001604543405 1287653133 /nfs/dbraw/zinc/65/31/33/1287653133.db2.gz KHZHZLXFYLXHOV-RYUDHWBXSA-N -1 1 369.433 0.854 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590668936 1283719275 /nfs/dbraw/zinc/71/92/75/1283719275.db2.gz HYYNHYKKXVCFEM-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CCN(C(=O)CSCC#N)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590668936 1283719288 /nfs/dbraw/zinc/71/92/88/1283719288.db2.gz HYYNHYKKXVCFEM-NSHDSACASA-N -1 1 373.446 0.341 20 30 FCEDMM CCOC(=O)[C@H]1CCCCN1C(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001590758721 1283819630 /nfs/dbraw/zinc/81/96/30/1283819630.db2.gz YJRFTNRKWQBHNH-LLVKDONJSA-N -1 1 372.389 0.188 20 30 FCEDMM CCO[C@@H](CNc1cncc(C#N)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001590785548 1283839595 /nfs/dbraw/zinc/83/95/95/1283839595.db2.gz KWMOHPNSDHWLGN-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM CCO[C@@H](CNc1cncc(C#N)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001590785548 1283839603 /nfs/dbraw/zinc/83/96/03/1283839603.db2.gz KWMOHPNSDHWLGN-NSHDSACASA-N -1 1 367.377 0.247 20 30 FCEDMM CCOCCCN(C[C@H](C)C(=O)OC)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590810241 1283884543 /nfs/dbraw/zinc/88/45/43/1283884543.db2.gz FOXVYIKFJPXQDW-NSHDSACASA-N -1 1 374.405 0.570 20 30 FCEDMM CCOCCCN(C[C@H](C)C(=O)OC)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590810241 1283884552 /nfs/dbraw/zinc/88/45/52/1283884552.db2.gz FOXVYIKFJPXQDW-NSHDSACASA-N -1 1 374.405 0.570 20 30 FCEDMM CCOc1cc(C#N)ccc1OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590825823 1283907240 /nfs/dbraw/zinc/90/72/40/1283907240.db2.gz SRNHCRGBXCLVBE-SECBINFHSA-N -1 1 354.330 0.895 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590862531 1283933804 /nfs/dbraw/zinc/93/38/04/1283933804.db2.gz JUKCKJHCBFHPNB-GXTWGEPZSA-N -1 1 352.402 0.544 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590862531 1283933809 /nfs/dbraw/zinc/93/38/09/1283933809.db2.gz JUKCKJHCBFHPNB-GXTWGEPZSA-N -1 1 352.402 0.544 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590864506 1283934647 /nfs/dbraw/zinc/93/46/47/1283934647.db2.gz NGJNYCJHHHBZIH-CMPLNLGQSA-N -1 1 373.446 0.387 20 30 FCEDMM CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590864506 1283934659 /nfs/dbraw/zinc/93/46/59/1283934659.db2.gz NGJNYCJHHHBZIH-CMPLNLGQSA-N -1 1 373.446 0.387 20 30 FCEDMM CC[C@H](C#N)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001590866184 1283935675 /nfs/dbraw/zinc/93/56/75/1283935675.db2.gz GLHZCPIKLKSTRT-LLVKDONJSA-N -1 1 353.390 0.877 20 30 FCEDMM CC[C@H](C#N)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001590866184 1283935683 /nfs/dbraw/zinc/93/56/83/1283935683.db2.gz GLHZCPIKLKSTRT-LLVKDONJSA-N -1 1 353.390 0.877 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590917082 1283966350 /nfs/dbraw/zinc/96/63/50/1283966350.db2.gz YDCWQWZQZMXRKW-LBPRGKRZSA-N -1 1 352.402 0.645 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590917082 1283966359 /nfs/dbraw/zinc/96/63/59/1283966359.db2.gz YDCWQWZQZMXRKW-LBPRGKRZSA-N -1 1 352.402 0.645 20 30 FCEDMM CCc1nc(NC[C@H](C)CNC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001590915947 1283966470 /nfs/dbraw/zinc/96/64/70/1283966470.db2.gz BFXRNRIQFHEWBO-NSHDSACASA-N -1 1 354.418 0.797 20 30 FCEDMM CCc1nc(NC[C@H](C)CNC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001590915947 1283966477 /nfs/dbraw/zinc/96/64/77/1283966477.db2.gz BFXRNRIQFHEWBO-NSHDSACASA-N -1 1 354.418 0.797 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCC2(C#N)CCOCC2)c1=O ZINC001590949196 1283995735 /nfs/dbraw/zinc/99/57/35/1283995735.db2.gz BPHCOOVCXRGKAW-UHFFFAOYSA-N -1 1 359.390 0.311 20 30 FCEDMM CN(CC(C)(C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591042596 1284102679 /nfs/dbraw/zinc/10/26/79/1284102679.db2.gz MMWGTOIDZRVCFO-UHFFFAOYSA-N -1 1 365.375 0.945 20 30 FCEDMM CN(CC(C)(C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591042596 1284102684 /nfs/dbraw/zinc/10/26/84/1284102684.db2.gz MMWGTOIDZRVCFO-UHFFFAOYSA-N -1 1 365.375 0.945 20 30 FCEDMM CN(CCCCNc1ncncc1-c1nn[n-]n1)c1ncncc1C#N ZINC001591065918 1284127411 /nfs/dbraw/zinc/12/74/11/1284127411.db2.gz YLHMZWFLKQDDJL-UHFFFAOYSA-N -1 1 351.378 0.647 20 30 FCEDMM COC[C@@H](C#N)OC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001591367608 1284506154 /nfs/dbraw/zinc/50/61/54/1284506154.db2.gz ASXYGDRYJXSTKX-LLVKDONJSA-N -1 1 361.362 0.461 20 30 FCEDMM COCCN(CCNC(=O)C#CC(C)(C)C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591424288 1284573669 /nfs/dbraw/zinc/57/36/69/1284573669.db2.gz VSGYWHRTGYJMKP-UHFFFAOYSA-N -1 1 372.433 0.275 20 30 FCEDMM COCCN(CCNC(=O)C#CC(C)(C)C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591424288 1284573680 /nfs/dbraw/zinc/57/36/80/1284573680.db2.gz VSGYWHRTGYJMKP-UHFFFAOYSA-N -1 1 372.433 0.275 20 30 FCEDMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1C#N ZINC001591532087 1284720147 /nfs/dbraw/zinc/72/01/47/1284720147.db2.gz FPIPEKDMMCWJNN-UHFFFAOYSA-N -1 1 353.346 0.802 20 30 FCEDMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1C#N ZINC001591532087 1284720153 /nfs/dbraw/zinc/72/01/53/1284720153.db2.gz FPIPEKDMMCWJNN-UHFFFAOYSA-N -1 1 353.346 0.802 20 30 FCEDMM COc1ccc(N2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC001591607198 1284765640 /nfs/dbraw/zinc/76/56/40/1284765640.db2.gz DGUXCMFHBUWMFV-UHFFFAOYSA-N -1 1 363.385 0.864 20 30 FCEDMM COc1cccc(C(=O)NCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001591632789 1284774048 /nfs/dbraw/zinc/77/40/48/1284774048.db2.gz YFTXOERTSJFRJW-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM COc1cccc(C(=O)NCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001591632789 1284774060 /nfs/dbraw/zinc/77/40/60/1284774060.db2.gz YFTXOERTSJFRJW-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM COc1cncc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)c1 ZINC001591659610 1284788870 /nfs/dbraw/zinc/78/88/70/1284788870.db2.gz YWOIPFHJPMPMDC-UHFFFAOYSA-N -1 1 364.373 0.259 20 30 FCEDMM COc1cncc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)c1 ZINC001591659610 1284788875 /nfs/dbraw/zinc/78/88/75/1284788875.db2.gz YWOIPFHJPMPMDC-UHFFFAOYSA-N -1 1 364.373 0.259 20 30 FCEDMM Cc1cc(C)n(N=C[C@H]2CCN(c3cnn(C)c3)C2)c(=O)c1-c1nn[n-]n1 ZINC001591956060 1285022178 /nfs/dbraw/zinc/02/21/78/1285022178.db2.gz VRDGHBSFNQWRLC-CYBMUJFWSA-N -1 1 367.417 0.739 20 30 FCEDMM Cc1cc(NC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)n(C(C)(C)C)n1 ZINC001592020706 1285073573 /nfs/dbraw/zinc/07/35/73/1285073573.db2.gz XEZJBOJZXUVWGA-UHFFFAOYSA-N -1 1 369.393 0.416 20 30 FCEDMM Cc1ccc(C(=O)C=CC(=O)NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592115431 1285149389 /nfs/dbraw/zinc/14/93/89/1285149389.db2.gz HNTCCDOBFONQNL-VOTSOKGWSA-N -1 1 352.358 0.322 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)c1ccc(NC(N)=O)cc1 ZINC001592335405 1285243745 /nfs/dbraw/zinc/24/37/45/1285243745.db2.gz QXEJPEFSCDZNLK-UHFFFAOYSA-N -1 1 351.330 0.617 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC#N ZINC001592401057 1285311270 /nfs/dbraw/zinc/31/12/70/1285311270.db2.gz WQJUWKIMFIVFMB-VIFPVBQESA-N -1 1 353.390 0.877 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC#N ZINC001592401057 1285311280 /nfs/dbraw/zinc/31/12/80/1285311280.db2.gz WQJUWKIMFIVFMB-VIFPVBQESA-N -1 1 353.390 0.877 20 30 FCEDMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C#N ZINC001592399827 1285311939 /nfs/dbraw/zinc/31/19/39/1285311939.db2.gz VTFYUQXOEGTPPC-VIFPVBQESA-N -1 1 353.390 0.829 20 30 FCEDMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H](C)C#N ZINC001592399827 1285311951 /nfs/dbraw/zinc/31/19/51/1285311951.db2.gz VTFYUQXOEGTPPC-VIFPVBQESA-N -1 1 353.390 0.829 20 30 FCEDMM Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592436334 1285367957 /nfs/dbraw/zinc/36/79/57/1285367957.db2.gz NXXZRCXCEVLDMV-UHFFFAOYSA-N -1 1 366.389 0.866 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001592500577 1285429264 /nfs/dbraw/zinc/42/92/64/1285429264.db2.gz XSARBPZZWFUDNX-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001592500577 1285429269 /nfs/dbraw/zinc/42/92/69/1285429269.db2.gz XSARBPZZWFUDNX-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(NC(=O)CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC001592509294 1285433709 /nfs/dbraw/zinc/43/37/09/1285433709.db2.gz BXNSNNNCKXVMDC-PHIMTYICSA-N -1 1 372.433 0.933 20 30 FCEDMM Cc1onc(CC(=O)NCc2cccc(OCC#N)c2)c1-c1nnn[n-]1 ZINC001592517158 1285444285 /nfs/dbraw/zinc/44/42/85/1285444285.db2.gz KPCUDTGAQYJIGT-UHFFFAOYSA-N -1 1 353.342 0.924 20 30 FCEDMM Cc1onc(CC(=O)NCc2cccc(OCC#N)c2)c1-c1nn[n-]n1 ZINC001592517158 1285444289 /nfs/dbraw/zinc/44/42/89/1285444289.db2.gz KPCUDTGAQYJIGT-UHFFFAOYSA-N -1 1 353.342 0.924 20 30 FCEDMM N#CCSCC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001592678999 1285573739 /nfs/dbraw/zinc/57/37/39/1285573739.db2.gz CBGDDHBYBBMXNI-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001592678999 1285573744 /nfs/dbraw/zinc/57/37/44/1285573744.db2.gz CBGDDHBYBBMXNI-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592679018 1285574192 /nfs/dbraw/zinc/57/41/92/1285574192.db2.gz CSFGMSASEOZPQZ-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592679018 1285574194 /nfs/dbraw/zinc/57/41/94/1285574194.db2.gz CSFGMSASEOZPQZ-GHMZBOCLSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592680532 1285578224 /nfs/dbraw/zinc/57/82/24/1285578224.db2.gz RSLPOLHAGKUSSJ-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592680532 1285578227 /nfs/dbraw/zinc/57/82/27/1285578227.db2.gz RSLPOLHAGKUSSJ-SNVBAGLBSA-N -1 1 359.419 0.316 20 30 FCEDMM N#CCSCC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001592679662 1285579614 /nfs/dbraw/zinc/57/96/14/1285579614.db2.gz YKBTYPMFBXQFTK-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#CCSCC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001592679662 1285579623 /nfs/dbraw/zinc/57/96/23/1285579623.db2.gz YKBTYPMFBXQFTK-JTQLQIEISA-N -1 1 359.419 0.220 20 30 FCEDMM N#C[C@@]12CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681736 1285581280 /nfs/dbraw/zinc/58/12/80/1285581280.db2.gz ZODUVVNUJIEMNJ-KBUNVGBDSA-N -1 1 371.835 0.351 20 30 FCEDMM N#C[C@@]12CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]1CS(=O)(=O)C2 ZINC001592681736 1285581286 /nfs/dbraw/zinc/58/12/86/1285581286.db2.gz ZODUVVNUJIEMNJ-KBUNVGBDSA-N -1 1 371.835 0.351 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)nc1-c1nn[nH]n1 ZINC001592683216 1285581577 /nfs/dbraw/zinc/58/15/77/1285581577.db2.gz OAUALWOZMFWESM-SECBINFHSA-N -1 1 369.389 0.581 20 30 FCEDMM N#Cc1cc(F)ccc1N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592689903 1285586690 /nfs/dbraw/zinc/58/66/90/1285586690.db2.gz XOZBEHBEUKCDLJ-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1ccc(N[C@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)nc1 ZINC001592696207 1285588158 /nfs/dbraw/zinc/58/81/58/1285588158.db2.gz PFGLKXHUOBOBHE-LBPRGKRZSA-N -1 1 373.384 0.876 20 30 FCEDMM N#Cc1cccnc1N1CCN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001592702896 1285592030 /nfs/dbraw/zinc/59/20/30/1285592030.db2.gz IRKUKCMRTBDXAS-UHFFFAOYSA-N -1 1 353.415 0.912 20 30 FCEDMM N#Cc1cccnc1N1CCN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001592702896 1285592043 /nfs/dbraw/zinc/59/20/43/1285592043.db2.gz IRKUKCMRTBDXAS-UHFFFAOYSA-N -1 1 353.415 0.912 20 30 FCEDMM N#Cc1ncc(N2CCC[C@@H](c3nnc4ccccn43)C2)nc1-c1nn[n-]n1 ZINC001592708526 1285593665 /nfs/dbraw/zinc/59/36/65/1285593665.db2.gz XMMXZLXPQWJBKX-LLVKDONJSA-N -1 1 373.384 0.955 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](c3nnc4ccccn43)C2)cnc1-c1nnn[n-]1 ZINC001592704859 1285594121 /nfs/dbraw/zinc/59/41/21/1285594121.db2.gz RWTRTFNVFMDBDJ-NSHDSACASA-N -1 1 373.384 0.955 20 30 FCEDMM N#Cc1nc(N2CCC[C@H](c3nnc4ccccn43)C2)cnc1-c1nn[n-]n1 ZINC001592704859 1285594130 /nfs/dbraw/zinc/59/41/30/1285594130.db2.gz RWTRTFNVFMDBDJ-NSHDSACASA-N -1 1 373.384 0.955 20 30 FCEDMM N#Cc1ncn(CC(=O)c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC001592710264 1285596383 /nfs/dbraw/zinc/59/63/83/1285596383.db2.gz SVMVMWVGBCLHDR-UHFFFAOYSA-N -1 1 362.353 0.945 20 30 FCEDMM O=C(C#CC1CC1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001592766786 1285689026 /nfs/dbraw/zinc/68/90/26/1285689026.db2.gz TVEWTKFYWVRZRK-QWHCGFSZSA-N -1 1 350.386 0.107 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592767289 1285690541 /nfs/dbraw/zinc/69/05/41/1285690541.db2.gz AGVDWZUMAXASCR-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592767289 1285690549 /nfs/dbraw/zinc/69/05/49/1285690549.db2.gz AGVDWZUMAXASCR-OLZOCXBDSA-N -1 1 352.402 0.767 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592767744 1285690571 /nfs/dbraw/zinc/69/05/71/1285690571.db2.gz JELYESCAGQUTJH-CHWSQXEVSA-N -1 1 352.402 0.331 20 30 FCEDMM O=C([O-])C#CC1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 ZINC001593275037 1286058033 /nfs/dbraw/zinc/05/80/33/1286058033.db2.gz CQBRIQCNEFKSQB-UHFFFAOYSA-N -1 1 367.412 0.417 20 30 FCEDMM N#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001601069992 1286626439 /nfs/dbraw/zinc/62/64/39/1286626439.db2.gz VOIXHWZHRMEJHW-UHFFFAOYSA-N -1 1 367.383 0.227 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c(C(=O)[O-])c1 ZINC001601112933 1286638117 /nfs/dbraw/zinc/63/81/17/1286638117.db2.gz VFVPCCGDLVGHOG-QWHCGFSZSA-N -1 1 365.411 0.086 20 30 FCEDMM COc1cc(C#N)cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001609339657 1289109648 /nfs/dbraw/zinc/10/96/48/1289109648.db2.gz CNPFHRJXTJFZHF-UHFFFAOYSA-N -1 1 358.339 0.910 20 30 FCEDMM COc1cc(C#N)cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001609339657 1289109652 /nfs/dbraw/zinc/10/96/52/1289109652.db2.gz CNPFHRJXTJFZHF-UHFFFAOYSA-N -1 1 358.339 0.910 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001602703835 1287065760 /nfs/dbraw/zinc/06/57/60/1287065760.db2.gz GPKGDOBHRIZWLO-BZPMIXESSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001602703835 1287065771 /nfs/dbraw/zinc/06/57/71/1287065771.db2.gz GPKGDOBHRIZWLO-BZPMIXESSA-N -1 1 352.402 0.686 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001602702162 1287066370 /nfs/dbraw/zinc/06/63/70/1287066370.db2.gz BCZRGRDVLLYJAG-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001602702162 1287066375 /nfs/dbraw/zinc/06/63/75/1287066375.db2.gz BCZRGRDVLLYJAG-CYBMUJFWSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001602702725 1287066423 /nfs/dbraw/zinc/06/64/23/1287066423.db2.gz ILSPDVQCBAHAFJ-UHFFFAOYSA-N -1 1 354.418 0.671 20 30 FCEDMM C#CCCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)CC1 ZINC001602702725 1287066434 /nfs/dbraw/zinc/06/64/34/1287066434.db2.gz ILSPDVQCBAHAFJ-UHFFFAOYSA-N -1 1 354.418 0.671 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602706318 1287067598 /nfs/dbraw/zinc/06/75/98/1287067598.db2.gz QJJRGGSQOYHQNZ-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H](CO)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602706318 1287067605 /nfs/dbraw/zinc/06/76/05/1287067605.db2.gz QJJRGGSQOYHQNZ-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCCCCC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001602709554 1287068399 /nfs/dbraw/zinc/06/83/99/1287068399.db2.gz GTSQFMZVBPSIAO-UHFFFAOYSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001602724331 1287080276 /nfs/dbraw/zinc/08/02/76/1287080276.db2.gz CRAKIYVKCRXDLJ-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602724331 1287080284 /nfs/dbraw/zinc/08/02/84/1287080284.db2.gz CRAKIYVKCRXDLJ-PNESKVBLSA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001602724482 1287080462 /nfs/dbraw/zinc/08/04/62/1287080462.db2.gz FZJGWAQXAXLMNU-NEPJUHHUSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001602724482 1287080470 /nfs/dbraw/zinc/08/04/70/1287080470.db2.gz FZJGWAQXAXLMNU-NEPJUHHUSA-N -1 1 370.417 0.344 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001602724195 1287080646 /nfs/dbraw/zinc/08/06/46/1287080646.db2.gz BRQFSQHIOYDEDO-GTNSWQLSSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001602724195 1287080656 /nfs/dbraw/zinc/08/06/56/1287080656.db2.gz BRQFSQHIOYDEDO-GTNSWQLSSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001602727155 1287091654 /nfs/dbraw/zinc/09/16/54/1287091654.db2.gz VPVHTTDKBDXOLK-LLVKDONJSA-N -1 1 363.447 0.930 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001602727364 1287092721 /nfs/dbraw/zinc/09/27/21/1287092721.db2.gz ODIDXAMMCCAPHF-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001602727364 1287092731 /nfs/dbraw/zinc/09/27/31/1287092731.db2.gz ODIDXAMMCCAPHF-CYBMUJFWSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001602727740 1287094559 /nfs/dbraw/zinc/09/45/59/1287094559.db2.gz ZRRZQDJHUIPUCS-LLVKDONJSA-N -1 1 356.390 0.064 20 30 FCEDMM 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C=C[C@@H]1C[C@]1(NC[C@H](O)COCCCC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001252532703 857820881 /nfs/dbraw/zinc/82/08/81/857820881.db2.gz PMMDCQFUCZNBSA-DVOMOZLQSA-N -1 1 360.476 0.307 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[nH]c2=S)c(Cl)c1 ZINC001259115912 858239647 /nfs/dbraw/zinc/23/96/47/858239647.db2.gz HQCZGHYSZDLWFL-QMMMGPOBSA-N -1 1 358.788 0.025 20 30 FCEDMM C=CCOCCNC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC001261583332 858598662 /nfs/dbraw/zinc/59/86/62/858598662.db2.gz UYCHAXQPRAVWEN-GHMZBOCLSA-N -1 1 365.352 0.363 20 30 FCEDMM N#CCCCN1CC[C@]2(CCN(C(=O)c3c[nH]c(=S)[n-]c3=O)C2)C1=O ZINC001273874010 860624316 /nfs/dbraw/zinc/62/43/16/860624316.db2.gz MWHGVPHJOUNWEU-MRXNPFEDSA-N -1 1 361.427 0.839 20 30 FCEDMM C#CCN1C(=O)COCC12CN(C(=O)c1c([O-])ccc(Cl)c1OC)C2 ZINC001274248517 860715976 /nfs/dbraw/zinc/71/59/76/860715976.db2.gz QXAJWCVWFGRKGB-UHFFFAOYSA-N -1 1 364.785 0.741 20 30 FCEDMM C=CCN1C[C@@]2(CCN(C(=O)c3cnc(SC)[n-]c3=O)C2)OCC1=O ZINC001274832004 860846327 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C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001575314011 1271910790 /nfs/dbraw/zinc/91/07/90/1271910790.db2.gz KLPRSWPDWXNHCS-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001575314011 1271910802 /nfs/dbraw/zinc/91/08/02/1271910802.db2.gz KLPRSWPDWXNHCS-BDAKNGLRSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@](O)(CCc1ccccc1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001575470608 1272140785 /nfs/dbraw/zinc/14/07/85/1272140785.db2.gz VXRQDYNERKAVFS-MRXNPFEDSA-N -1 1 352.358 0.784 20 30 FCEDMM C[C@@H](Oc1ccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1)C(N)=O ZINC001575493268 1272168052 /nfs/dbraw/zinc/16/80/52/1272168052.db2.gz JGHLNTKKNWRREA-MRVPVSSYSA-N -1 1 352.314 0.573 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001580677608 1278701330 /nfs/dbraw/zinc/70/13/30/1278701330.db2.gz IYXLDWRMGUXQTK-ZMNCSTGQSA-N -1 1 367.417 0.600 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)n1 ZINC001580677608 1278701340 /nfs/dbraw/zinc/70/13/40/1278701340.db2.gz IYXLDWRMGUXQTK-ZMNCSTGQSA-N -1 1 367.417 0.600 20 30 FCEDMM C[C@]1([C@@H]2CCCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)COC(=O)N1 ZINC001575753248 1272416592 /nfs/dbraw/zinc/41/65/92/1272416592.db2.gz ZVGJSXXGNCARMG-RFAUZJTJSA-N -1 1 355.362 0.243 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575826058 1272488106 /nfs/dbraw/zinc/48/81/06/1272488106.db2.gz MUPPFUCSVZKDDO-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575826058 1272488108 /nfs/dbraw/zinc/48/81/08/1272488108.db2.gz MUPPFUCSVZKDDO-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575827418 1272491260 /nfs/dbraw/zinc/49/12/60/1272491260.db2.gz YCJJOGZONUEQHW-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575827418 1272491265 /nfs/dbraw/zinc/49/12/65/1272491265.db2.gz YCJJOGZONUEQHW-MRXNPFEDSA-N -1 1 364.373 0.255 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580693181 1278732730 /nfs/dbraw/zinc/73/27/30/1278732730.db2.gz YHWJXBWXUAFOAW-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001580693181 1278732736 /nfs/dbraw/zinc/73/27/36/1278732736.db2.gz YHWJXBWXUAFOAW-SNVBAGLBSA-N -1 1 366.389 0.738 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068722 1272827459 /nfs/dbraw/zinc/82/74/59/1272827459.db2.gz KLRHMXBVRVFLBX-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576068722 1272827465 /nfs/dbraw/zinc/82/74/65/1272827465.db2.gz KLRHMXBVRVFLBX-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580695187 1278738217 /nfs/dbraw/zinc/73/82/17/1278738217.db2.gz UJBVQHHEOBEYPS-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001580695187 1278738221 /nfs/dbraw/zinc/73/82/21/1278738221.db2.gz UJBVQHHEOBEYPS-SECBINFHSA-N -1 1 352.362 0.395 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576313488 1273128732 /nfs/dbraw/zinc/12/87/32/1273128732.db2.gz PLHOQARZUMXPRB-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576313488 1273128735 /nfs/dbraw/zinc/12/87/35/1273128735.db2.gz PLHOQARZUMXPRB-ZANVPECISA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCN1CC(F)(F)F ZINC001576363507 1273185555 /nfs/dbraw/zinc/18/55/55/1273185555.db2.gz GDTOMLJNSMYDOC-QMMMGPOBSA-N -1 1 353.312 0.601 20 30 FCEDMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCN1CC(F)(F)F ZINC001576363507 1273185561 /nfs/dbraw/zinc/18/55/61/1273185561.db2.gz GDTOMLJNSMYDOC-QMMMGPOBSA-N -1 1 353.312 0.601 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001580707458 1278766191 /nfs/dbraw/zinc/76/61/91/1278766191.db2.gz DLBBXYLBGJQLDB-AMWJZZMOSA-N -1 1 367.417 0.964 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001580707458 1278766203 /nfs/dbraw/zinc/76/62/03/1278766203.db2.gz DLBBXYLBGJQLDB-AMWJZZMOSA-N -1 1 367.417 0.964 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580713640 1278775420 /nfs/dbraw/zinc/77/54/20/1278775420.db2.gz CAGKHFUWMINCMB-LLVKDONJSA-N -1 1 364.373 0.492 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580713640 1278775433 /nfs/dbraw/zinc/77/54/33/1278775433.db2.gz CAGKHFUWMINCMB-LLVKDONJSA-N -1 1 364.373 0.492 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576862268 1273826609 /nfs/dbraw/zinc/82/66/09/1273826609.db2.gz INSLHUYMSHCBQF-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576862268 1273826614 /nfs/dbraw/zinc/82/66/14/1273826614.db2.gz INSLHUYMSHCBQF-SNVBAGLBSA-N -1 1 352.362 0.477 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001576863091 1273828150 /nfs/dbraw/zinc/82/81/50/1273828150.db2.gz LPBIMSQTUHIMTB-NSHDSACASA-N -1 1 366.389 0.785 20 30 FCEDMM CC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001576863091 1273828158 /nfs/dbraw/zinc/82/81/58/1273828158.db2.gz LPBIMSQTUHIMTB-NSHDSACASA-N -1 1 366.389 0.785 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580734280 1278827305 /nfs/dbraw/zinc/82/73/05/1278827305.db2.gz JOFUOHZVSGNGFY-CMPLNLGQSA-N -1 1 355.406 0.775 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001580734280 1278827318 /nfs/dbraw/zinc/82/73/18/1278827318.db2.gz JOFUOHZVSGNGFY-CMPLNLGQSA-N -1 1 355.406 0.775 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577523208 1274469116 /nfs/dbraw/zinc/46/91/16/1274469116.db2.gz OOYUZXFZHLITFN-YPMHNXCESA-N -1 1 369.433 0.942 20 30 FCEDMM CCCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577523208 1274469120 /nfs/dbraw/zinc/46/91/20/1274469120.db2.gz OOYUZXFZHLITFN-YPMHNXCESA-N -1 1 369.433 0.942 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580754987 1278871214 /nfs/dbraw/zinc/87/12/14/1278871214.db2.gz DARUPODDTXQOKT-ADEWGFFLSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)[C@H](C)C#N)C2)n1 ZINC001580754987 1278871224 /nfs/dbraw/zinc/87/12/24/1278871224.db2.gz DARUPODDTXQOKT-ADEWGFFLSA-N -1 1 355.406 0.822 20 30 FCEDMM CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001577784379 1274881985 /nfs/dbraw/zinc/88/19/85/1274881985.db2.gz XQRPTFUASWOWJJ-ZYHUDNBSSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001577784379 1274881991 /nfs/dbraw/zinc/88/19/91/1274881991.db2.gz XQRPTFUASWOWJJ-ZYHUDNBSSA-N -1 1 355.406 0.552 20 30 FCEDMM CCN(CCNC(=O)CSCC#N)c1snc(C)c1-c1nn[n-]n1 ZINC001578012867 1275280788 /nfs/dbraw/zinc/28/07/88/1275280788.db2.gz ZKQKLQQWEOROPE-UHFFFAOYSA-N -1 1 366.476 0.831 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001578066802 1275367618 /nfs/dbraw/zinc/36/76/18/1275367618.db2.gz IVRHMDSFBNRCCY-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001578066802 1275367623 /nfs/dbraw/zinc/36/76/23/1275367623.db2.gz IVRHMDSFBNRCCY-UHFFFAOYSA-N -1 1 366.389 0.421 20 30 FCEDMM CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578200617 1275491063 /nfs/dbraw/zinc/49/10/63/1275491063.db2.gz DHGQXHDZUUTZQL-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cncc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001578200617 1275491066 /nfs/dbraw/zinc/49/10/66/1275491066.db2.gz DHGQXHDZUUTZQL-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCOC(=O)[C@@]1(C(C)C)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001578243078 1275544435 /nfs/dbraw/zinc/54/44/35/1275544435.db2.gz TXPRZBDNIJIWEN-INIZCTEOSA-N -1 1 356.390 0.944 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578567960 1275998940 /nfs/dbraw/zinc/99/89/40/1275998940.db2.gz NKLDHVOZUWIBCK-NWDGAFQWSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001578567960 1275998941 /nfs/dbraw/zinc/99/89/41/1275998941.db2.gz NKLDHVOZUWIBCK-NWDGAFQWSA-N -1 1 369.433 0.663 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(CCNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001578577538 1276010183 /nfs/dbraw/zinc/01/01/83/1276010183.db2.gz YOGBKGTWAIZBLN-SNVBAGLBSA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(CCNC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001578577538 1276010190 /nfs/dbraw/zinc/01/01/90/1276010190.db2.gz YOGBKGTWAIZBLN-SNVBAGLBSA-N -1 1 355.406 0.464 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578911947 1276452039 /nfs/dbraw/zinc/45/20/39/1276452039.db2.gz QPRPYOXCKWHZPQ-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001578912086 1276453377 /nfs/dbraw/zinc/45/33/77/1276453377.db2.gz XUICXFQKUALVRB-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1cc(C#N)c[nH]1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001578912086 1276453381 /nfs/dbraw/zinc/45/33/81/1276453381.db2.gz XUICXFQKUALVRB-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C[C@H]1COc2ccccc2O1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579107240 1276764619 /nfs/dbraw/zinc/76/46/19/1276764619.db2.gz YYWLAQFPEIGCOR-JTQLQIEISA-N -1 1 350.342 0.805 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579283325 1277099815 /nfs/dbraw/zinc/09/98/15/1277099815.db2.gz AQSFQZYNXVUEGX-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001579283325 1277099820 /nfs/dbraw/zinc/09/98/20/1277099820.db2.gz AQSFQZYNXVUEGX-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579283934 1277104983 /nfs/dbraw/zinc/10/49/83/1277104983.db2.gz MXIFPHCTLAJNCD-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001579283934 1277104997 /nfs/dbraw/zinc/10/49/97/1277104997.db2.gz MXIFPHCTLAJNCD-LLVKDONJSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001579284892 1277106396 /nfs/dbraw/zinc/10/63/96/1277106396.db2.gz NAYHFVUFLJFJBN-QMMMGPOBSA-N -1 1 367.295 0.128 20 30 FCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001579284892 1277106400 /nfs/dbraw/zinc/10/64/00/1277106400.db2.gz NAYHFVUFLJFJBN-QMMMGPOBSA-N -1 1 367.295 0.128 20 30 FCEDMM COC(=O)[C@@H](CC1CCOCC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433436 1277301328 /nfs/dbraw/zinc/30/13/28/1277301328.db2.gz GKUDCGOCWADXJX-SNVBAGLBSA-N -1 1 358.362 0.299 20 30 FCEDMM COC(=O)[C@]1(C(F)(F)F)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001579438710 1277316154 /nfs/dbraw/zinc/31/61/54/1277316154.db2.gz NQFUXXRNGVWCGH-LBPRGKRZSA-N -1 1 368.279 0.460 20 30 FCEDMM CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001603098994 1287309114 /nfs/dbraw/zinc/30/91/14/1287309114.db2.gz QDXYYZRCOKFWAU-VIFPVBQESA-N -1 1 357.378 0.632 20 30 FCEDMM CC(C)(C)OC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001603098994 1287309123 /nfs/dbraw/zinc/30/91/23/1287309123.db2.gz QDXYYZRCOKFWAU-VIFPVBQESA-N -1 1 357.378 0.632 20 30 FCEDMM COCc1ccc([C@H]2COCCN2c2cnc(-c3nnn[n-]3)c(C#N)n2)o1 ZINC001579831647 1277927235 /nfs/dbraw/zinc/92/72/35/1277927235.db2.gz JJDCMUMPIRMSKH-GFCCVEGCSA-N -1 1 368.357 0.846 20 30 FCEDMM COCc1ccc([C@H]2COCCN2c2cnc(-c3nn[n-]n3)c(C#N)n2)o1 ZINC001579831647 1277927239 /nfs/dbraw/zinc/92/72/39/1277927239.db2.gz JJDCMUMPIRMSKH-GFCCVEGCSA-N -1 1 368.357 0.846 20 30 FCEDMM COc1cc(OC)cc([C@@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001579937770 1277970063 /nfs/dbraw/zinc/97/00/63/1277970063.db2.gz WREZKHGZBNETHH-ZDUSSCGKSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1cc(OC)cc([C@@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001579937770 1277970067 /nfs/dbraw/zinc/97/00/67/1277970067.db2.gz WREZKHGZBNETHH-ZDUSSCGKSA-N -1 1 368.357 0.691 20 30 FCEDMM COc1cccc(C[C@H](O)C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001580063609 1278001896 /nfs/dbraw/zinc/00/18/96/1278001896.db2.gz CVJNMNLBASTVFN-NSHDSACASA-N -1 1 354.330 0.012 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001603188664 1287325454 /nfs/dbraw/zinc/32/54/54/1287325454.db2.gz BDDHNZZHGIMFOT-UONOGXRCSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001603188664 1287325459 /nfs/dbraw/zinc/32/54/59/1287325459.db2.gz BDDHNZZHGIMFOT-UONOGXRCSA-N -1 1 366.429 0.886 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001603190061 1287326653 /nfs/dbraw/zinc/32/66/53/1287326653.db2.gz UPIHXWGCPJIZBY-LBPRGKRZSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001603190061 1287326659 /nfs/dbraw/zinc/32/66/59/1287326659.db2.gz UPIHXWGCPJIZBY-LBPRGKRZSA-N -1 1 354.418 0.647 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001603189571 1287327062 /nfs/dbraw/zinc/32/70/62/1287327062.db2.gz PBACXZRFMWDPSB-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001603189571 1287327064 /nfs/dbraw/zinc/32/70/64/1287327064.db2.gz PBACXZRFMWDPSB-ZDUSSCGKSA-N -1 1 354.418 0.743 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001603189600 1287327101 /nfs/dbraw/zinc/32/71/01/1287327101.db2.gz PXOBYAYARNBOAN-KGLIPLIRSA-N -1 1 366.429 0.601 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001603189600 1287327104 /nfs/dbraw/zinc/32/71/04/1287327104.db2.gz PXOBYAYARNBOAN-KGLIPLIRSA-N -1 1 366.429 0.601 20 30 FCEDMM Cc1oc(C#N)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001581729132 1280425909 /nfs/dbraw/zinc/42/59/09/1280425909.db2.gz MZFIXFQXEGKOOK-UHFFFAOYSA-N -1 1 369.345 0.452 20 30 FCEDMM Cc1oc(C#N)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001581729132 1280425911 /nfs/dbraw/zinc/42/59/11/1280425911.db2.gz MZFIXFQXEGKOOK-UHFFFAOYSA-N -1 1 369.345 0.452 20 30 FCEDMM Cn1nccc1[C@@H](O)C1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001581837400 1280590983 /nfs/dbraw/zinc/59/09/83/1280590983.db2.gz GJJRTMOYJXDOTQ-HNNXBMFYSA-N -1 1 366.389 0.212 20 30 FCEDMM Cn1nccc1[C@@H](O)C1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001581837400 1280590990 /nfs/dbraw/zinc/59/09/90/1280590990.db2.gz GJJRTMOYJXDOTQ-HNNXBMFYSA-N -1 1 366.389 0.212 20 30 FCEDMM N#C[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001581857108 1280607841 /nfs/dbraw/zinc/60/78/41/1280607841.db2.gz PVOAMVINERGLJG-GFCCVEGCSA-N -1 1 367.373 0.706 20 30 FCEDMM N#C[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001581857108 1280607848 /nfs/dbraw/zinc/60/78/48/1280607848.db2.gz PVOAMVINERGLJG-GFCCVEGCSA-N -1 1 367.373 0.706 20 30 FCEDMM N#CC1(CC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCCC1 ZINC001581857016 1280608281 /nfs/dbraw/zinc/60/82/81/1280608281.db2.gz MMUKBIQBBSTVQI-UHFFFAOYSA-N -1 1 372.389 0.109 20 30 FCEDMM N#CCc1ccc(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1 ZINC001581859437 1280611696 /nfs/dbraw/zinc/61/16/96/1280611696.db2.gz IAAYFEDQVWNHDM-UHFFFAOYSA-N -1 1 355.383 0.806 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001581864510 1280616419 /nfs/dbraw/zinc/61/64/19/1280616419.db2.gz ZFOTUQMCPCZTLG-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c[nH]1 ZINC001581864510 1280616431 /nfs/dbraw/zinc/61/64/31/1280616431.db2.gz ZFOTUQMCPCZTLG-SNVBAGLBSA-N -1 1 350.346 0.183 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)c1 ZINC001581863535 1280616636 /nfs/dbraw/zinc/61/66/36/1280616636.db2.gz SVYMFIKVHRWJGF-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1c[nH]c(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)c1 ZINC001581863535 1280616641 /nfs/dbraw/zinc/61/66/41/1280616641.db2.gz SVYMFIKVHRWJGF-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001581866046 1280620290 /nfs/dbraw/zinc/62/02/90/1280620290.db2.gz RPVQXYSWRWJWAK-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001581866046 1280620296 /nfs/dbraw/zinc/62/02/96/1280620296.db2.gz RPVQXYSWRWJWAK-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c[nH]1 ZINC001581866389 1280621269 /nfs/dbraw/zinc/62/12/69/1280621269.db2.gz ZXCSXHBGYDZIKX-LBPRGKRZSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC001581871454 1280626592 /nfs/dbraw/zinc/62/65/92/1280626592.db2.gz VLKGVGHPPLWFJQ-CYBMUJFWSA-N -1 1 361.369 0.558 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)C2)nc1 ZINC001581873557 1280628730 /nfs/dbraw/zinc/62/87/30/1280628730.db2.gz GPQWGBKHWYXBPF-LLVKDONJSA-N -1 1 360.341 0.453 20 30 FCEDMM N#Cc1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c1 ZINC001581874853 1280629723 /nfs/dbraw/zinc/62/97/23/1280629723.db2.gz KRZFUVKYKOJDGW-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM N#Cc1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c1 ZINC001581874853 1280629735 /nfs/dbraw/zinc/62/97/35/1280629735.db2.gz KRZFUVKYKOJDGW-UHFFFAOYSA-N -1 1 365.357 0.550 20 30 FCEDMM N#Cc1cncc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001581877674 1280632663 /nfs/dbraw/zinc/63/26/63/1280632663.db2.gz DUVUGDQFZNDPND-UHFFFAOYSA-N -1 1 361.412 0.814 20 30 FCEDMM N#Cc1nc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cnc1-c1nnn[n-]1 ZINC001581878588 1280634314 /nfs/dbraw/zinc/63/43/14/1280634314.db2.gz SIAVDIKOERGXOK-PXAZEXFGSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cnc1-c1nn[n-]n1 ZINC001581878588 1280634317 /nfs/dbraw/zinc/63/43/17/1280634317.db2.gz SIAVDIKOERGXOK-PXAZEXFGSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@H]3CCOC3)CC2)cnc1-c1nnn[n-]1 ZINC001581878191 1280635424 /nfs/dbraw/zinc/63/54/24/1280635424.db2.gz AEIPQHJKBOEKSG-NSHDSACASA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(N2CCC(OC[C@H]3CCOC3)CC2)cnc1-c1nn[n-]n1 ZINC001581878191 1280635428 /nfs/dbraw/zinc/63/54/28/1280635428.db2.gz AEIPQHJKBOEKSG-NSHDSACASA-N -1 1 356.390 0.550 20 30 FCEDMM N#Cc1nc(NC[C@@H](CO)Cc2ccc(F)cc2)cnc1-c1nnn[n-]1 ZINC001581880329 1280636773 /nfs/dbraw/zinc/63/67/73/1280636773.db2.gz HBVISLDDYWZYBY-NSHDSACASA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1nc(NC[C@@H](CO)Cc2ccc(F)cc2)cnc1-c1nn[n-]n1 ZINC001581880329 1280636788 /nfs/dbraw/zinc/63/67/88/1280636788.db2.gz HBVISLDDYWZYBY-NSHDSACASA-N -1 1 354.349 0.931 20 30 FCEDMM N#Cc1nc(N2CCn3nc(C(F)(F)F)cc3C2)cnc1-c1nnn[n-]1 ZINC001581879616 1280638205 /nfs/dbraw/zinc/63/82/05/1280638205.db2.gz QSKPOUDRTRNSJM-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1nc(N2CCn3nc(C(F)(F)F)cc3C2)cnc1-c1nn[n-]n1 ZINC001581879616 1280638214 /nfs/dbraw/zinc/63/82/14/1280638214.db2.gz QSKPOUDRTRNSJM-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCc3c2cnn3CCO)cnc1-c1nnn[n-]1 ZINC001581880291 1280638996 /nfs/dbraw/zinc/63/89/96/1280638996.db2.gz FWQCQGFZLWMSKF-SNVBAGLBSA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCCc3c2cnn3CCO)cnc1-c1nn[n-]n1 ZINC001581880291 1280638998 /nfs/dbraw/zinc/63/89/98/1280638998.db2.gz FWQCQGFZLWMSKF-SNVBAGLBSA-N -1 1 352.362 0.207 20 30 FCEDMM N#Cc1nc(NCc2ncc(Br)cn2)cnc1-c1nnn[n-]1 ZINC001581881231 1280639715 /nfs/dbraw/zinc/63/97/15/1280639715.db2.gz QLXWVFBZVCLUHV-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM N#Cc1nc(NCc2ncc(Br)cn2)cnc1-c1nn[n-]n1 ZINC001581881231 1280639723 /nfs/dbraw/zinc/63/97/23/1280639723.db2.gz QLXWVFBZVCLUHV-UHFFFAOYSA-N -1 1 359.151 0.693 20 30 FCEDMM N#Cc1nc(NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cnc1-c1nnn[n-]1 ZINC001581880675 1280642029 /nfs/dbraw/zinc/64/20/29/1280642029.db2.gz RRLJMKBZCQYREC-PBINXNQUSA-N -1 1 360.403 0.296 20 30 FCEDMM N#Cc1nc(NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cnc1-c1nn[n-]n1 ZINC001581880675 1280642040 /nfs/dbraw/zinc/64/20/40/1280642040.db2.gz RRLJMKBZCQYREC-PBINXNQUSA-N -1 1 360.403 0.296 20 30 FCEDMM N#Cc1ncc(N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)nc1-c1nn[n-]n1 ZINC001581882778 1280642966 /nfs/dbraw/zinc/64/29/66/1280642966.db2.gz HBVSAYVEXUWPBI-SMDDNHRTSA-N -1 1 372.776 0.688 20 30 FCEDMM N#Cc1ncc(N2CCn3c(nnc3C(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001581882599 1280644376 /nfs/dbraw/zinc/64/43/76/1280644376.db2.gz DLCJBKLBKCCRJK-UHFFFAOYSA-N -1 1 363.267 0.159 20 30 FCEDMM N#Cc1ncc(N2CCN(c3ccccc3F)CC2)nc1-c1nn[n-]n1 ZINC001581883271 1280648002 /nfs/dbraw/zinc/64/80/02/1280648002.db2.gz UODGOHSKUFJQIJ-UHFFFAOYSA-N -1 1 351.349 0.994 20 30 FCEDMM N#Cc1ncc(N2CCOC[C@H]2C[C@H](O)c2ccco2)nc1-c1nn[n-]n1 ZINC001581883399 1280648478 /nfs/dbraw/zinc/64/84/78/1280648478.db2.gz YKLSFYWUYMWMFI-PWSUYJOCSA-N -1 1 368.357 0.450 20 30 FCEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC001588330050 1282421831 /nfs/dbraw/zinc/42/18/31/1282421831.db2.gz UCLDYHQHUBCBNX-MNOVXSKESA-N -1 1 360.399 0.600 20 30 FCEDMM C#CCCCC(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588335877 1282428564 /nfs/dbraw/zinc/42/85/64/1282428564.db2.gz BGBJLGQNNRZTTL-CYBMUJFWSA-N -1 1 368.445 0.921 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588336245 1282428670 /nfs/dbraw/zinc/42/86/70/1282428670.db2.gz KVRWZFQVEMIVOX-QWHCGFSZSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588336245 1282428674 /nfs/dbraw/zinc/42/86/74/1282428674.db2.gz KVRWZFQVEMIVOX-QWHCGFSZSA-N -1 1 354.418 0.967 20 30 FCEDMM C#CCCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001588337802 1282430298 /nfs/dbraw/zinc/43/02/98/1282430298.db2.gz CFZPROPIWAHXAD-ACJLOTCBSA-N -1 1 366.429 0.745 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338891 1282432086 /nfs/dbraw/zinc/43/20/86/1282432086.db2.gz QHKUWBOZRQUUKB-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338891 1282432092 /nfs/dbraw/zinc/43/20/92/1282432092.db2.gz QHKUWBOZRQUUKB-STQMWFEESA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001588339240 1282433148 /nfs/dbraw/zinc/43/31/48/1282433148.db2.gz WULDSNSTEHAGMF-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001588339240 1282433154 /nfs/dbraw/zinc/43/31/54/1282433154.db2.gz WULDSNSTEHAGMF-IHRRRGAJSA-N -1 1 366.429 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001588339210 1282433190 /nfs/dbraw/zinc/43/31/90/1282433190.db2.gz WHKNVMBEUSDIIM-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001588339210 1282433197 /nfs/dbraw/zinc/43/31/97/1282433197.db2.gz WHKNVMBEUSDIIM-CHWSQXEVSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCCC(=O)NC[C@H](O)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588343012 1282439911 /nfs/dbraw/zinc/43/99/11/1282439911.db2.gz WXHIDZRADIJKSE-NSHDSACASA-N -1 1 363.447 0.714 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001588345119 1282440322 /nfs/dbraw/zinc/44/03/22/1282440322.db2.gz QWIKHERRMIQWSS-NHAGDIPZSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001588345119 1282440328 /nfs/dbraw/zinc/44/03/28/1282440328.db2.gz QWIKHERRMIQWSS-NHAGDIPZSA-N -1 1 366.429 0.791 20 30 FCEDMM C#CCCCCC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588343495 1282440610 /nfs/dbraw/zinc/44/06/10/1282440610.db2.gz MKEMJUUHGWXOHO-KRWDZBQOSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001588343162 1282441011 /nfs/dbraw/zinc/44/10/11/1282441011.db2.gz GSLPPRLAKCIIAI-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001588343162 1282441016 /nfs/dbraw/zinc/44/10/16/1282441016.db2.gz GSLPPRLAKCIIAI-DZGCQCFKSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588347229 1282441780 /nfs/dbraw/zinc/44/17/80/1282441780.db2.gz KIDDFIIHKKPJPR-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C(=O)[C@H](F)CC)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588347229 1282441788 /nfs/dbraw/zinc/44/17/88/1282441788.db2.gz KIDDFIIHKKPJPR-CYBMUJFWSA-N -1 1 372.408 0.835 20 30 FCEDMM C#CCN(C)c1cnc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cn1 ZINC001588349265 1282442783 /nfs/dbraw/zinc/44/27/83/1282442783.db2.gz KEFJJMDOYJCYBU-UHFFFAOYSA-N -1 1 360.341 0.838 20 30 FCEDMM C#CCN(C)c1cnc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cn1 ZINC001588349265 1282442787 /nfs/dbraw/zinc/44/27/87/1282442787.db2.gz KEFJJMDOYJCYBU-UHFFFAOYSA-N -1 1 360.341 0.838 20 30 FCEDMM C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588350429 1282444908 /nfs/dbraw/zinc/44/49/08/1282444908.db2.gz VVPNAOJMUADUHD-UHFFFAOYSA-N -1 1 367.387 0.425 20 30 FCEDMM C#CCN(CC#CC)c1nnc(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)n1CC ZINC001588350391 1282445017 /nfs/dbraw/zinc/44/50/17/1282445017.db2.gz STNHHSKZCVHHJJ-UHFFFAOYSA-N -1 1 363.385 0.709 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001588355104 1282451623 /nfs/dbraw/zinc/45/16/23/1282451623.db2.gz FIXVHPFXIHKRLK-WOPDTQHZSA-N -1 1 373.442 0.459 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001588355096 1282452126 /nfs/dbraw/zinc/45/21/26/1282452126.db2.gz FEYIBBJXHSZCHR-GXFFZTMASA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001588355096 1282452130 /nfs/dbraw/zinc/45/21/30/1282452130.db2.gz FEYIBBJXHSZCHR-GXFFZTMASA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355569 1282454640 /nfs/dbraw/zinc/45/46/40/1282454640.db2.gz JVGRNRQLUYYIKE-JQWIXIFHSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355569 1282454645 /nfs/dbraw/zinc/45/46/45/1282454645.db2.gz JVGRNRQLUYYIKE-JQWIXIFHSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355568 1282455245 /nfs/dbraw/zinc/45/52/45/1282455245.db2.gz JVGRNRQLUYYIKE-CMPLNLGQSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@H](C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355568 1282455249 /nfs/dbraw/zinc/45/52/49/1282455249.db2.gz JVGRNRQLUYYIKE-CMPLNLGQSA-N -1 1 358.406 0.168 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588356646 1282461021 /nfs/dbraw/zinc/46/10/21/1282461021.db2.gz YXVZYJDXCURMQA-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588356646 1282461028 /nfs/dbraw/zinc/46/10/28/1282461028.db2.gz YXVZYJDXCURMQA-OLZOCXBDSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588356549 1282461143 /nfs/dbraw/zinc/46/11/43/1282461143.db2.gz DIIJGDCCIYNDIV-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588356549 1282461146 /nfs/dbraw/zinc/46/11/46/1282461146.db2.gz DIIJGDCCIYNDIV-OLZOCXBDSA-N -1 1 370.417 0.028 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001588356815 1282461302 /nfs/dbraw/zinc/46/13/02/1282461302.db2.gz GKGRPAUZIFCCSI-QRGHLMKCSA-N -1 1 361.431 0.754 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001588357041 1282462454 /nfs/dbraw/zinc/46/24/54/1282462454.db2.gz IWQIOXLUSBTKIC-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001588357041 1282462459 /nfs/dbraw/zinc/46/24/59/1282462459.db2.gz IWQIOXLUSBTKIC-CHWSQXEVSA-N -1 1 372.433 0.638 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356913 1282463259 /nfs/dbraw/zinc/46/32/59/1282463259.db2.gz HRJDCDPHFJVPDX-RWMBFGLXSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356913 1282463263 /nfs/dbraw/zinc/46/32/63/1282463263.db2.gz HRJDCDPHFJVPDX-RWMBFGLXSA-N -1 1 370.417 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001588357510 1282464863 /nfs/dbraw/zinc/46/48/63/1282464863.db2.gz MWPGGWLUTGDGEV-JHJVBQTASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001588357510 1282464868 /nfs/dbraw/zinc/46/48/68/1282464868.db2.gz MWPGGWLUTGDGEV-JHJVBQTASA-N -1 1 370.417 0.534 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588357284 1282465648 /nfs/dbraw/zinc/46/56/48/1282465648.db2.gz KLEZVTFJFXQVQR-PWSUYJOCSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588357284 1282465653 /nfs/dbraw/zinc/46/56/53/1282465653.db2.gz KLEZVTFJFXQVQR-PWSUYJOCSA-N -1 1 358.406 0.310 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588357799 1282467018 /nfs/dbraw/zinc/46/70/18/1282467018.db2.gz NGKYIOSVLTYBQP-UNXYVOJBSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588357799 1282467021 /nfs/dbraw/zinc/46/70/21/1282467021.db2.gz NGKYIOSVLTYBQP-UNXYVOJBSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C\CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588358002 1282467512 /nfs/dbraw/zinc/46/75/12/1282467512.db2.gz RUYSIKMSTRMRGR-FJOGCWAESA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC/C=C\CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588358002 1282467519 /nfs/dbraw/zinc/46/75/19/1282467519.db2.gz RUYSIKMSTRMRGR-FJOGCWAESA-N -1 1 356.390 0.088 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588358148 1282468363 /nfs/dbraw/zinc/46/83/63/1282468363.db2.gz TYSCXZQYNXKBAY-QWRGUYRKSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588358148 1282468373 /nfs/dbraw/zinc/46/83/73/1282468373.db2.gz TYSCXZQYNXKBAY-QWRGUYRKSA-N -1 1 358.406 0.174 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001588359463 1282474899 /nfs/dbraw/zinc/47/48/99/1282474899.db2.gz OXQLGQSAESLMMQ-UHFFFAOYSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001588359463 1282474903 /nfs/dbraw/zinc/47/49/03/1282474903.db2.gz OXQLGQSAESLMMQ-UHFFFAOYSA-N -1 1 370.417 0.408 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588360653 1282478201 /nfs/dbraw/zinc/47/82/01/1282478201.db2.gz UDKJTVZAUPZJFS-STQMWFEESA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588360653 1282478209 /nfs/dbraw/zinc/47/82/09/1282478209.db2.gz UDKJTVZAUPZJFS-STQMWFEESA-N -1 1 370.417 0.203 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001588360497 1282478853 /nfs/dbraw/zinc/47/88/53/1282478853.db2.gz RCSZGQVXKLVGOQ-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001588360497 1282478858 /nfs/dbraw/zinc/47/88/58/1282478858.db2.gz RCSZGQVXKLVGOQ-ZDUSSCGKSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001588360485 1282478989 /nfs/dbraw/zinc/47/89/89/1282478989.db2.gz QWGCQPZJVWOUFR-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001588360485 1282478995 /nfs/dbraw/zinc/47/89/95/1282478995.db2.gz QWGCQPZJVWOUFR-UHFFFAOYSA-N -1 1 370.417 0.490 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361129 1282482099 /nfs/dbraw/zinc/48/20/99/1282482099.db2.gz FBOIMXXZTUEPTL-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361129 1282482108 /nfs/dbraw/zinc/48/21/08/1282482108.db2.gz FBOIMXXZTUEPTL-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)NCCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588361142 1282483000 /nfs/dbraw/zinc/48/30/00/1282483000.db2.gz FMGOLZSEQUFAST-UHFFFAOYSA-N -1 1 363.447 0.614 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001588361582 1282484217 /nfs/dbraw/zinc/48/42/17/1282484217.db2.gz PVYHOOLHXOUMRO-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001588361582 1282484220 /nfs/dbraw/zinc/48/42/20/1282484220.db2.gz PVYHOOLHXOUMRO-CHWSQXEVSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588361556 1282484436 /nfs/dbraw/zinc/48/44/36/1282484436.db2.gz PGHRZCVTXOZKTR-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588361556 1282484439 /nfs/dbraw/zinc/48/44/39/1282484439.db2.gz PGHRZCVTXOZKTR-OLZOCXBDSA-N -1 1 370.417 0.536 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001588361615 1282484532 /nfs/dbraw/zinc/48/45/32/1282484532.db2.gz QROOTQYTWDKYLZ-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001588361615 1282484533 /nfs/dbraw/zinc/48/45/33/1282484533.db2.gz QROOTQYTWDKYLZ-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588361693 1282484980 /nfs/dbraw/zinc/48/49/80/1282484980.db2.gz RBTHPQSIYXNPFP-NSHDSACASA-N -1 1 363.447 0.978 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001588361454 1282485713 /nfs/dbraw/zinc/48/57/13/1282485713.db2.gz NIJHOMOMIMYUHX-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001588361454 1282485717 /nfs/dbraw/zinc/48/57/17/1282485717.db2.gz NIJHOMOMIMYUHX-OLZOCXBDSA-N -1 1 370.417 0.393 20 30 FCEDMM C#CCOCCC(=O)NCCN(CC)c1snc(C)c1-c1nn[n-]n1 ZINC001588362299 1282487299 /nfs/dbraw/zinc/48/72/99/1282487299.db2.gz ZIDREGLHTPYGOO-UHFFFAOYSA-N -1 1 363.447 0.614 20 30 FCEDMM C#CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC001588363678 1282489401 /nfs/dbraw/zinc/48/94/01/1282489401.db2.gz UTUHPSKWYUACKK-SECBINFHSA-N -1 1 360.761 0.554 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001588364490 1282492084 /nfs/dbraw/zinc/49/20/84/1282492084.db2.gz HERPAVOSNWMOIK-RYUDHWBXSA-N -1 1 362.397 0.679 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001588380682 1282495563 /nfs/dbraw/zinc/49/55/63/1282495563.db2.gz KWXTUAONVPLVSJ-NSHDSACASA-N -1 1 363.385 0.288 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001588380682 1282495571 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C=CCCCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001588590423 1282579394 /nfs/dbraw/zinc/57/93/94/1282579394.db2.gz MFTZNTKHXHIQHH-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001588590423 1282579400 /nfs/dbraw/zinc/57/94/00/1282579400.db2.gz MFTZNTKHXHIQHH-LBPRGKRZSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588608517 1282583248 /nfs/dbraw/zinc/58/32/48/1282583248.db2.gz NPTQYTLEMJERJR-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCO[C@H](C)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588608517 1282583258 /nfs/dbraw/zinc/58/32/58/1282583258.db2.gz NPTQYTLEMJERJR-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588608729 1282584953 /nfs/dbraw/zinc/58/49/53/1282584953.db2.gz PMGDIYKWUJPFOS-UPJWGTAASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588608729 1282584961 /nfs/dbraw/zinc/58/49/61/1282584961.db2.gz PMGDIYKWUJPFOS-UPJWGTAASA-N -1 1 372.433 0.945 20 30 FCEDMM C=CCCOCC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588610378 1282587596 /nfs/dbraw/zinc/58/75/96/1282587596.db2.gz CSQVKMOLQMOMPW-UHFFFAOYSA-N -1 1 372.433 0.322 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588610771 1282589521 /nfs/dbraw/zinc/58/95/21/1282589521.db2.gz MLLNZQHTKFVMIU-UHFFFAOYSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588610771 1282589531 /nfs/dbraw/zinc/58/95/31/1282589531.db2.gz MLLNZQHTKFVMIU-UHFFFAOYSA-N -1 1 358.406 0.651 20 30 FCEDMM C=CCCOCC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001588611731 1282590330 /nfs/dbraw/zinc/59/03/30/1282590330.db2.gz WDJDVRHHCOCMIU-UHFFFAOYSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001588611731 1282590339 /nfs/dbraw/zinc/59/03/39/1282590339.db2.gz WDJDVRHHCOCMIU-UHFFFAOYSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588611812 1282592637 /nfs/dbraw/zinc/59/26/37/1282592637.db2.gz XMQPIOAIDSTSHD-OLZOCXBDSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588611812 1282592646 /nfs/dbraw/zinc/59/26/46/1282592646.db2.gz XMQPIOAIDSTSHD-OLZOCXBDSA-N -1 1 372.433 0.756 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001588611821 1282593906 /nfs/dbraw/zinc/59/39/06/1282593906.db2.gz XWJVCRSABNURJC-CYBMUJFWSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCCOCC(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001588611821 1282593918 /nfs/dbraw/zinc/59/39/18/1282593918.db2.gz XWJVCRSABNURJC-CYBMUJFWSA-N -1 1 372.433 0.818 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588616514 1282595903 /nfs/dbraw/zinc/59/59/03/1282595903.db2.gz ICXRHFGRJDEYOJ-LLVKDONJSA-N -1 1 363.447 0.919 20 30 FCEDMM C=CCCOCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588617289 1282598364 /nfs/dbraw/zinc/59/83/64/1282598364.db2.gz SYYPOPDQDJOQEL-RYUDHWBXSA-N -1 1 360.422 0.863 20 30 FCEDMM C=CCCOCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588617289 1282598371 /nfs/dbraw/zinc/59/83/71/1282598371.db2.gz SYYPOPDQDJOQEL-RYUDHWBXSA-N -1 1 360.422 0.863 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001588617307 1282598495 /nfs/dbraw/zinc/59/84/95/1282598495.db2.gz UEKKLMARHRRRRO-CYBMUJFWSA-N -1 1 372.433 0.725 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588616660 1282598999 /nfs/dbraw/zinc/59/89/99/1282598999.db2.gz LDZURASPVUUUOI-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588616660 1282599005 /nfs/dbraw/zinc/59/90/05/1282599005.db2.gz LDZURASPVUUUOI-QWHCGFSZSA-N -1 1 372.433 0.723 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001588617678 1282599671 /nfs/dbraw/zinc/59/96/71/1282599671.db2.gz XPJCSRCWWCCTRT-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001588617678 1282599684 /nfs/dbraw/zinc/59/96/84/1282599684.db2.gz XPJCSRCWWCCTRT-GFCCVEGCSA-N -1 1 358.406 0.652 20 30 FCEDMM C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001588626846 1282600877 /nfs/dbraw/zinc/60/08/77/1282600877.db2.gz SKTDIRRDCSGEDZ-UHFFFAOYSA-N -1 1 371.405 0.860 20 30 FCEDMM C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001588626846 1282600885 /nfs/dbraw/zinc/60/08/85/1282600885.db2.gz SKTDIRRDCSGEDZ-UHFFFAOYSA-N -1 1 371.405 0.860 20 30 FCEDMM C=CCOCC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588665142 1282614931 /nfs/dbraw/zinc/61/49/31/1282614931.db2.gz GJBUNQUDCXJTGF-NSHDSACASA-N -1 1 363.447 0.871 20 30 FCEDMM C=CCO[C@H]1CCN(c2nnc(-c3c[nH]c(=O)c(-c4nn[n-]n4)c3)n2C)C1 ZINC001588666095 1282620868 /nfs/dbraw/zinc/62/08/68/1282620868.db2.gz ZMQOLASXOJQQAF-NSHDSACASA-N -1 1 369.389 0.544 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H](CC)C1 ZINC001588666936 1282623205 /nfs/dbraw/zinc/62/32/05/1282623205.db2.gz OJCWGBHUFOCEDT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H](CC)C1 ZINC001588666936 1282623214 /nfs/dbraw/zinc/62/32/14/1282623214.db2.gz OJCWGBHUFOCEDT-OLZOCXBDSA-N -1 1 372.433 0.898 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588667384 1282624926 /nfs/dbraw/zinc/62/49/26/1282624926.db2.gz XRUIXQYBKOQXLT-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588667384 1282624938 /nfs/dbraw/zinc/62/49/38/1282624938.db2.gz XRUIXQYBKOQXLT-LBPRGKRZSA-N -1 1 358.406 0.510 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588672682 1282626519 /nfs/dbraw/zinc/62/65/19/1282626519.db2.gz YMGHDFWXHPOJOP-QWRGUYRKSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@@H](C)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588672682 1282626528 /nfs/dbraw/zinc/62/65/28/1282626528.db2.gz YMGHDFWXHPOJOP-QWRGUYRKSA-N -1 1 360.422 0.727 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588674553 1282630293 /nfs/dbraw/zinc/63/02/93/1282630293.db2.gz PRMGQGTTYMCWEG-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588674553 1282630305 /nfs/dbraw/zinc/63/03/05/1282630305.db2.gz PRMGQGTTYMCWEG-NEPJUHHUSA-N -1 1 358.406 0.333 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001588680780 1282637027 /nfs/dbraw/zinc/63/70/27/1282637027.db2.gz CWXUZEAFVYWAON-STQMWFEESA-N -1 1 372.433 0.463 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001588681649 1282639433 /nfs/dbraw/zinc/63/94/33/1282639433.db2.gz PEHXYRFFNZTIEY-STQMWFEESA-N -1 1 370.417 0.429 20 30 FCEDMM C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001588681649 1282639455 /nfs/dbraw/zinc/63/94/55/1282639455.db2.gz PEHXYRFFNZTIEY-STQMWFEESA-N -1 1 370.417 0.429 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588681361 1282639867 /nfs/dbraw/zinc/63/98/67/1282639867.db2.gz AGPZDYNRYTVYHZ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588681361 1282639881 /nfs/dbraw/zinc/63/98/81/1282639881.db2.gz AGPZDYNRYTVYHZ-GFCCVEGCSA-N -1 1 358.406 0.334 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001588682121 1282641071 /nfs/dbraw/zinc/64/10/71/1282641071.db2.gz WPICTIMITIGMCH-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCCCC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001588682121 1282641079 /nfs/dbraw/zinc/64/10/79/1282641079.db2.gz WPICTIMITIGMCH-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCOCCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588682639 1282643253 /nfs/dbraw/zinc/64/32/53/1282643253.db2.gz ONKQXXMTBZWUQE-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCCCC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588682639 1282643269 /nfs/dbraw/zinc/64/32/69/1282643269.db2.gz ONKQXXMTBZWUQE-ZDUSSCGKSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOc1cccnc1C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588688897 1282647522 /nfs/dbraw/zinc/64/75/22/1282647522.db2.gz UFQDPRUKUVJTQT-UHFFFAOYSA-N -1 1 367.373 0.458 20 30 FCEDMM C=CCOc1cccnc1C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588688897 1282647541 /nfs/dbraw/zinc/64/75/41/1282647541.db2.gz UFQDPRUKUVJTQT-UHFFFAOYSA-N -1 1 367.373 0.458 20 30 FCEDMM C=CCn1c(-c2c[nH]c(=O)c(-c3nn[n-]n3)c2)nnc1N1CCCOCC1 ZINC001588694716 1282648483 /nfs/dbraw/zinc/64/84/83/1282648483.db2.gz LEMDTAJXXZTOGB-UHFFFAOYSA-N -1 1 369.389 0.639 20 30 FCEDMM C=CCS(=O)(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588689035 1282649169 /nfs/dbraw/zinc/64/91/69/1282649169.db2.gz VKGLMGHOTCTNQQ-UHFFFAOYSA-N -1 1 356.795 0.246 20 30 FCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N1CC[C@H](COC)C1 ZINC001588700791 1282651522 /nfs/dbraw/zinc/65/15/22/1282651522.db2.gz XTXHJFKEQLMHKH-JTQLQIEISA-N -1 1 356.394 0.507 20 30 FCEDMM C=CCn1c(CC)nnc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588703060 1282653144 /nfs/dbraw/zinc/65/31/44/1282653144.db2.gz IBVKUAYWTVTHKM-UHFFFAOYSA-N -1 1 366.433 0.928 20 30 FCEDMM C=CCn1c(CC)nnc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588703060 1282653160 /nfs/dbraw/zinc/65/31/60/1282653160.db2.gz IBVKUAYWTVTHKM-UHFFFAOYSA-N -1 1 366.433 0.928 20 30 FCEDMM C=CCn1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)nn1 ZINC001588712593 1282657531 /nfs/dbraw/zinc/65/75/31/1282657531.db2.gz ACKUAZKIOIGKRR-SNVBAGLBSA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)nn1 ZINC001588712593 1282657545 /nfs/dbraw/zinc/65/75/45/1282657545.db2.gz ACKUAZKIOIGKRR-SNVBAGLBSA-N -1 1 369.393 0.055 20 30 FCEDMM C=CCn1cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)nn1 ZINC001588713778 1282659434 /nfs/dbraw/zinc/65/94/34/1282659434.db2.gz SZKTXNGPMHFBEQ-UHFFFAOYSA-N -1 1 372.345 0.650 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588721141 1282662895 /nfs/dbraw/zinc/66/28/95/1282662895.db2.gz DASLZCBRYZSJAO-OCCSQVGLSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588721141 1282662913 /nfs/dbraw/zinc/66/29/13/1282662913.db2.gz DASLZCBRYZSJAO-OCCSQVGLSA-N -1 1 370.417 0.651 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588722554 1282668208 /nfs/dbraw/zinc/66/82/08/1282668208.db2.gz ZPHSNOTWVBUUAY-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588722554 1282668222 /nfs/dbraw/zinc/66/82/22/1282668222.db2.gz ZPHSNOTWVBUUAY-YZVRNYIASA-N -1 1 370.417 0.555 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588722478 1282669856 /nfs/dbraw/zinc/66/98/56/1282669856.db2.gz XUHZTRZFAOJLQB-ZUCKAHLUSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588722478 1282669870 /nfs/dbraw/zinc/66/98/70/1282669870.db2.gz XUHZTRZFAOJLQB-ZUCKAHLUSA-N -1 1 370.417 0.333 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588725973 1282675667 /nfs/dbraw/zinc/67/56/67/1282675667.db2.gz PTTIIBUGJZZZHS-KXNHARMFSA-N -1 1 356.390 0.307 20 30 FCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588725973 1282675674 /nfs/dbraw/zinc/67/56/74/1282675674.db2.gz PTTIIBUGJZZZHS-KXNHARMFSA-N -1 1 356.390 0.307 20 30 FCEDMM CC#CCCCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588738575 1282677529 /nfs/dbraw/zinc/67/75/29/1282677529.db2.gz YIRJYLYOUOWQCH-ZDUSSCGKSA-N -1 1 354.418 0.887 20 30 FCEDMM CC#CCCCC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588736921 1282680888 /nfs/dbraw/zinc/68/08/88/1282680888.db2.gz GHSIGALJCFJVPK-CYBMUJFWSA-N -1 1 354.418 0.675 20 30 FCEDMM CC#CCCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001588740251 1282684068 /nfs/dbraw/zinc/68/40/68/1282684068.db2.gz KEZDSCSRRJJRAK-UHFFFAOYSA-N -1 1 354.418 0.723 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001588744073 1282686189 /nfs/dbraw/zinc/68/61/89/1282686189.db2.gz QDEUIOXEBBCKDA-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC#CCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001588744073 1282686201 /nfs/dbraw/zinc/68/62/01/1282686201.db2.gz QDEUIOXEBBCKDA-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM CC(=O)Nc1ccccc1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588883494 1282723565 /nfs/dbraw/zinc/72/35/65/1282723565.db2.gz DMMJZTAWYCSMSO-UHFFFAOYSA-N -1 1 351.330 0.601 20 30 FCEDMM C[C@@H](C(=O)OCC(=O)Nc1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001589028692 1282777149 /nfs/dbraw/zinc/77/71/49/1282777149.db2.gz XVQQCSYRAAQWQG-VIFPVBQESA-N -1 1 367.329 0.073 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001589067824 1282792395 /nfs/dbraw/zinc/79/23/95/1282792395.db2.gz 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CC(C)C#CC(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001589380268 1282857719 /nfs/dbraw/zinc/85/77/19/1282857719.db2.gz RDGJNSVMGRWDSZ-CYBMUJFWSA-N -1 1 354.418 0.965 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001589380252 1282858552 /nfs/dbraw/zinc/85/85/52/1282858552.db2.gz QTTBBWHCYNUYGQ-STQMWFEESA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001589380252 1282858563 /nfs/dbraw/zinc/85/85/63/1282858563.db2.gz QTTBBWHCYNUYGQ-STQMWFEESA-N -1 1 354.418 0.823 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001589387307 1282864312 /nfs/dbraw/zinc/86/43/12/1282864312.db2.gz KLFBPXARKMKHNV-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001589387307 1282864326 /nfs/dbraw/zinc/86/43/26/1282864326.db2.gz KLFBPXARKMKHNV-OLZOCXBDSA-N -1 1 354.418 0.790 20 30 FCEDMM CC(C)C#CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 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C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CSCC#N ZINC001590175437 1283280348 /nfs/dbraw/zinc/28/03/48/1283280348.db2.gz QITZNHDHRYXNSL-ZJUUUORDSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)CSCC#N ZINC001590208244 1283330222 /nfs/dbraw/zinc/33/02/22/1283330222.db2.gz CZWHMBYJMWYBNO-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)CSCC#N ZINC001590208244 1283330235 /nfs/dbraw/zinc/33/02/35/1283330235.db2.gz CZWHMBYJMWYBNO-VHSXEESVSA-N -1 1 359.419 0.315 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001590284282 1283411374 /nfs/dbraw/zinc/41/13/74/1283411374.db2.gz QZSRQNXWYLWJGU-DGCLKSJQSA-N -1 1 354.418 0.965 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590284282 1283411380 /nfs/dbraw/zinc/41/13/80/1283411380.db2.gz QZSRQNXWYLWJGU-DGCLKSJQSA-N -1 1 354.418 0.965 20 30 FCEDMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 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BXQIPJAICFKLSO-LBPRGKRZSA-N -1 1 354.418 0.743 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001590984537 1284038794 /nfs/dbraw/zinc/03/87/94/1284038794.db2.gz SINAPTFILLYMEM-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(C(=O)CSCC#N)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001590984537 1284038802 /nfs/dbraw/zinc/03/88/02/1284038802.db2.gz SINAPTFILLYMEM-UHFFFAOYSA-N -1 1 373.446 0.341 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001591161579 1284236405 /nfs/dbraw/zinc/23/64/05/1284236405.db2.gz KUOQJEGBFJWSNU-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001591161579 1284236409 /nfs/dbraw/zinc/23/64/09/1284236409.db2.gz KUOQJEGBFJWSNU-LBPRGKRZSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c1C ZINC001591284611 1284442798 /nfs/dbraw/zinc/44/27/98/1284442798.db2.gz QHQAJDYSAFHTBF-UHFFFAOYSA-N -1 1 368.357 0.858 20 30 FCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C#N)ccc2F)c1 ZINC001591285890 1284444553 /nfs/dbraw/zinc/44/45/53/1284444553.db2.gz RKFNORVOTSXGEA-UHFFFAOYSA-N -1 1 354.301 0.874 20 30 FCEDMM COc1ccc(C(=O)NCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001591572293 1284745560 /nfs/dbraw/zinc/74/55/60/1284745560.db2.gz FXTDKNQOOSPSMI-UHFFFAOYSA-N -1 1 365.357 0.379 20 30 FCEDMM COc1ccccc1-c1nnc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)o1 ZINC001591649742 1284782064 /nfs/dbraw/zinc/78/20/64/1284782064.db2.gz WDICKGLUVMSFEA-UHFFFAOYSA-N -1 1 364.329 0.624 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001591748652 1284873811 /nfs/dbraw/zinc/87/38/11/1284873811.db2.gz XEAUJKZRMWTMAD-DGCLKSJQSA-N -1 1 354.418 0.647 20 30 FCEDMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001591748652 1284873824 /nfs/dbraw/zinc/87/38/24/1284873824.db2.gz XEAUJKZRMWTMAD-DGCLKSJQSA-N -1 1 354.418 0.647 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591766574 1284891827 /nfs/dbraw/zinc/89/18/27/1284891827.db2.gz ZETDNPYUZNYTIE-LBPRGKRZSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@H](NC(=O)C#CC1CC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591766574 1284891840 /nfs/dbraw/zinc/89/18/40/1284891840.db2.gz ZETDNPYUZNYTIE-LBPRGKRZSA-N -1 1 366.429 0.791 20 30 FCEDMM C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001591777325 1284897888 /nfs/dbraw/zinc/89/78/88/1284897888.db2.gz JFARZKHNYFMPJJ-ACJLOTCBSA-N -1 1 364.413 0.355 20 30 FCEDMM C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001591777325 1284897902 /nfs/dbraw/zinc/89/79/02/1284897902.db2.gz JFARZKHNYFMPJJ-ACJLOTCBSA-N -1 1 364.413 0.355 20 30 FCEDMM Cc1c(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)nnn1-c1ccccc1 ZINC001591811628 1284924178 /nfs/dbraw/zinc/92/41/78/1284924178.db2.gz LJOYCLFBEXMAIH-UHFFFAOYSA-N -1 1 361.329 0.603 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001591883283 1284972186 /nfs/dbraw/zinc/97/21/86/1284972186.db2.gz HQQFZQYSEDPTCE-CQSZACIVSA-N -1 1 368.445 0.909 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001591883283 1284972190 /nfs/dbraw/zinc/97/21/90/1284972190.db2.gz HQQFZQYSEDPTCE-CQSZACIVSA-N -1 1 368.445 0.909 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)CSCC#N)C2)n1 ZINC001591886152 1284975865 /nfs/dbraw/zinc/97/58/65/1284975865.db2.gz FEACIICUAVYVBP-NSHDSACASA-N -1 1 373.446 0.164 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)CSCC#N)C2)n1 ZINC001591886152 1284975873 /nfs/dbraw/zinc/97/58/73/1284975873.db2.gz FEACIICUAVYVBP-NSHDSACASA-N -1 1 373.446 0.164 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001591888076 1284977347 /nfs/dbraw/zinc/97/73/47/1284977347.db2.gz MZPZTINZYVFANK-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001591888076 1284977358 /nfs/dbraw/zinc/97/73/58/1284977358.db2.gz MZPZTINZYVFANK-LLVKDONJSA-N -1 1 364.373 0.174 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001591894103 1284982834 /nfs/dbraw/zinc/98/28/34/1284982834.db2.gz YZGGTEHWWUGOEU-YGRLFVJLSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001591894103 1284982842 /nfs/dbraw/zinc/98/28/42/1284982842.db2.gz YZGGTEHWWUGOEU-YGRLFVJLSA-N -1 1 352.402 0.637 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCCN(CCO)C(=O)C#CC(C)(C)C)n1 ZINC001591899025 1284987550 /nfs/dbraw/zinc/98/75/50/1284987550.db2.gz XTMVCJVLSCYGDQ-UHFFFAOYSA-N -1 1 372.433 0.247 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCCN(CCO)C(=O)C#CC(C)(C)C)n1 ZINC001591899025 1284987560 /nfs/dbraw/zinc/98/75/60/1284987560.db2.gz XTMVCJVLSCYGDQ-UHFFFAOYSA-N -1 1 372.433 0.247 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CC(C)(C#N)C3)CC2)o1 ZINC001592335919 1285245305 /nfs/dbraw/zinc/24/53/05/1285245305.db2.gz NCSMZOXOSKYYHW-UHFFFAOYSA-N -1 1 356.390 0.752 20 30 FCEDMM Cc1nsc(N2CCN(c3cnc(C#N)cn3)CC2)c1-c1nn[n-]n1 ZINC001592476558 1285417518 /nfs/dbraw/zinc/41/75/18/1285417518.db2.gz USZSSPJHSWCKAA-UHFFFAOYSA-N -1 1 354.403 0.620 20 30 FCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC001592498969 1285425622 /nfs/dbraw/zinc/42/56/22/1285425622.db2.gz FKTARRPZHHMXMH-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC001592498969 1285425631 /nfs/dbraw/zinc/42/56/31/1285425631.db2.gz FKTARRPZHHMXMH-UHFFFAOYSA-N -1 1 364.369 0.997 20 30 FCEDMM Cn1cc([C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CCO2)cn1 ZINC001592568849 1285483040 /nfs/dbraw/zinc/48/30/40/1285483040.db2.gz AXQFBNFGWLOLFD-ZYHUDNBSSA-N -1 1 352.362 0.594 20 30 FCEDMM Cn1cc([C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CCO2)cn1 ZINC001592568849 1285483046 /nfs/dbraw/zinc/48/30/46/1285483046.db2.gz AXQFBNFGWLOLFD-ZYHUDNBSSA-N -1 1 352.362 0.594 20 30 FCEDMM N#CC(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)o2)c(=O)n1C1CCC1 ZINC001592662740 1285560606 /nfs/dbraw/zinc/56/06/06/1285560606.db2.gz VSSRKWXHNTXOFC-UHFFFAOYSA-N -1 1 365.378 0.435 20 30 FCEDMM N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[n-]n3)o2)c(=O)n1C1CCC1 ZINC001592662740 1285560612 /nfs/dbraw/zinc/56/06/12/1285560612.db2.gz VSSRKWXHNTXOFC-UHFFFAOYSA-N -1 1 365.378 0.435 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CCC1 ZINC001592669829 1285565222 /nfs/dbraw/zinc/56/52/22/1285565222.db2.gz OAEKQVCLBGADHH-UHFFFAOYSA-N -1 1 363.359 0.747 20 30 FCEDMM N#CC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CCC1 ZINC001592669829 1285565227 /nfs/dbraw/zinc/56/52/27/1285565227.db2.gz OAEKQVCLBGADHH-UHFFFAOYSA-N -1 1 363.359 0.747 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592679021 1285573904 /nfs/dbraw/zinc/57/39/04/1285573904.db2.gz CSFGMSASEOZPQZ-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592679021 1285573912 /nfs/dbraw/zinc/57/39/12/1285573912.db2.gz CSFGMSASEOZPQZ-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001592679082 1285575282 /nfs/dbraw/zinc/57/52/82/1285575282.db2.gz FIIGLBKZPDAEFU-UHFFFAOYSA-N -1 1 359.419 0.364 20 30 FCEDMM N#CCSCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001592679082 1285575286 /nfs/dbraw/zinc/57/52/86/1285575286.db2.gz FIIGLBKZPDAEFU-UHFFFAOYSA-N -1 1 359.419 0.364 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592679594 1285575852 /nfs/dbraw/zinc/57/58/52/1285575852.db2.gz VPUAITBVJCCQBJ-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592679594 1285575858 /nfs/dbraw/zinc/57/58/58/1285575858.db2.gz VPUAITBVJCCQBJ-LLVKDONJSA-N -1 1 373.446 0.389 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001592679611 1285576653 /nfs/dbraw/zinc/57/66/53/1285576653.db2.gz WBBCFGOSVKJPBQ-MXWKQRLJSA-N -1 1 371.430 0.139 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001592679611 1285576660 /nfs/dbraw/zinc/57/66/60/1285576660.db2.gz WBBCFGOSVKJPBQ-MXWKQRLJSA-N -1 1 371.430 0.139 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679567 1285577104 /nfs/dbraw/zinc/57/71/04/1285577104.db2.gz UZBNQPWDXKXIPJ-QWRGUYRKSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679567 1285577110 /nfs/dbraw/zinc/57/71/10/1285577110.db2.gz UZBNQPWDXKXIPJ-QWRGUYRKSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592679529 1285577601 /nfs/dbraw/zinc/57/76/01/1285577601.db2.gz SUYZTFRWTZCULV-WDEREUQCSA-N -1 1 373.446 0.032 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)nc1-c1nn[nH]n1 ZINC001592683336 1285581622 /nfs/dbraw/zinc/58/16/22/1285581622.db2.gz PSVUQLKTOMIWHN-BYPYZUCNSA-N -1 1 365.568 0.521 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1nc2ccccc2s1 ZINC001592682300 1285581862 /nfs/dbraw/zinc/58/18/62/1285581862.db2.gz WAYROPSDNMTWOR-UHFFFAOYSA-N -1 1 366.370 0.765 20 30 FCEDMM N#Cc1ccc(C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)cc1[O-] ZINC001592690636 1285585892 /nfs/dbraw/zinc/58/58/92/1285585892.db2.gz OESUMBZILHPONE-UHFFFAOYSA-N -1 1 350.342 0.681 20 30 FCEDMM N#Cc1ccc([C@H]2CN(Cn3cccc(-c4nn[n-]n4)c3=O)CCO2)cc1 ZINC001592692195 1285586754 /nfs/dbraw/zinc/58/67/54/1285586754.db2.gz SPQLADGVYAIPSU-MRXNPFEDSA-N -1 1 363.381 0.931 20 30 FCEDMM N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)CC(=O)N2 ZINC001592698062 1285587820 /nfs/dbraw/zinc/58/78/20/1285587820.db2.gz GQFTWHHIMKNJSW-UHFFFAOYSA-N -1 1 360.337 0.661 20 30 FCEDMM N#Cc1ccc2c(c1)N(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)CC(=O)N2 ZINC001592698062 1285587829 /nfs/dbraw/zinc/58/78/29/1285587829.db2.gz GQFTWHHIMKNJSW-UHFFFAOYSA-N -1 1 360.337 0.661 20 30 FCEDMM N#Cc1ccc(N2CCN(Cn3cccc(-c4nn[n-]n4)c3=O)CC2)nc1 ZINC001592695039 1285589548 /nfs/dbraw/zinc/58/95/48/1285589548.db2.gz GQKQLULAIGNIEN-UHFFFAOYSA-N -1 1 363.385 0.075 20 30 FCEDMM N#Cc1ncc(N(Cc2cccc(C(N)=O)c2)C2CC2)nc1-c1nn[n-]n1 ZINC001592708290 1285592678 /nfs/dbraw/zinc/59/26/78/1285592678.db2.gz GXJRJBBFRJTZIZ-UHFFFAOYSA-N -1 1 361.369 0.796 20 30 FCEDMM N#Cc1csc(CN2CCN(Cc3nc(-c4nnn[n-]4)cs3)CC2)n1 ZINC001592706470 1285593584 /nfs/dbraw/zinc/59/35/84/1285593584.db2.gz UEDFWSJTRYRJKU-UHFFFAOYSA-N -1 1 373.471 0.969 20 30 FCEDMM N#Cc1csc(CN2CCN(Cc3nc(-c4nn[n-]n4)cs3)CC2)n1 ZINC001592706470 1285593589 /nfs/dbraw/zinc/59/35/89/1285593589.db2.gz UEDFWSJTRYRJKU-UHFFFAOYSA-N -1 1 373.471 0.969 20 30 FCEDMM O=C(C#CC1CC1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001592766135 1285688058 /nfs/dbraw/zinc/68/80/58/1285688058.db2.gz DIBCAIWATNPTTP-ZDUSSCGKSA-N -1 1 352.402 0.285 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001592768493 1285692261 /nfs/dbraw/zinc/69/22/61/1285692261.db2.gz LUNGXXFWTAVHSW-CQSZACIVSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001592768493 1285692271 /nfs/dbraw/zinc/69/22/71/1285692271.db2.gz LUNGXXFWTAVHSW-CQSZACIVSA-N -1 1 364.413 0.545 20 30 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C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573584264 947216028 /nfs/dbraw/zinc/21/60/28/947216028.db2.gz SHHLSDSLCALJBO-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573584264 947216047 /nfs/dbraw/zinc/21/60/47/947216047.db2.gz SHHLSDSLCALJBO-QJPTWQEYSA-N -1 1 355.406 0.395 20 30 FCEDMM CCOC(=O)c1cnn(CC(=O)N[C@@](C)(C#N)C(C)C)c1-c1nn[n-]n1 ZINC000825564805 947221225 /nfs/dbraw/zinc/22/12/25/947221225.db2.gz GEVCDUPNHVSDMZ-HNNXBMFYSA-N -1 1 360.378 0.294 20 30 FCEDMM C=C[C@](C)(O)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573310845 947228923 /nfs/dbraw/zinc/22/89/23/947228923.db2.gz ZYNRKDBNEXTWNV-INIZCTEOSA-N -1 1 362.459 0.900 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573584716 947232231 /nfs/dbraw/zinc/23/22/31/947232231.db2.gz CHJLVZJVYVJMAA-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573584716 947232244 /nfs/dbraw/zinc/23/22/44/947232244.db2.gz CHJLVZJVYVJMAA-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573585045 947243157 /nfs/dbraw/zinc/24/31/57/947243157.db2.gz JJGYSEDDFIWXDY-AVGNSLFASA-N -1 1 369.433 0.573 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573586039 947273025 /nfs/dbraw/zinc/27/30/25/947273025.db2.gz XWHBXIQBKCYDGM-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573586039 947273039 /nfs/dbraw/zinc/27/30/39/947273039.db2.gz XWHBXIQBKCYDGM-RVMXOQNASA-N -1 1 367.417 0.680 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001573319191 947324804 /nfs/dbraw/zinc/32/48/04/947324804.db2.gz LJJQKRXGMABAPP-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCC(C)(C)C(=O)NC[C@H](O)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001573319191 947324817 /nfs/dbraw/zinc/32/48/17/947324817.db2.gz LJJQKRXGMABAPP-LLVKDONJSA-N -1 1 374.449 0.710 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573327604 947394609 /nfs/dbraw/zinc/39/46/09/947394609.db2.gz HRLVYOPDSNZZJW-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573327604 947394618 /nfs/dbraw/zinc/39/46/18/947394618.db2.gz HRLVYOPDSNZZJW-GFCCVEGCSA-N -1 1 358.406 0.253 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573336554 947505468 /nfs/dbraw/zinc/50/54/68/947505468.db2.gz OWEPJUQFJCNRFG-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCOCC(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573336554 947505473 /nfs/dbraw/zinc/50/54/73/947505473.db2.gz OWEPJUQFJCNRFG-ZDUSSCGKSA-N -1 1 372.433 0.677 20 30 FCEDMM C=CCCO[C@H](C)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573337302 947513042 /nfs/dbraw/zinc/51/30/42/947513042.db2.gz VIQGRJDHASVDPJ-PNESKVBLSA-N -1 1 372.433 0.367 20 30 FCEDMM C=CCOCC(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573343956 947564169 /nfs/dbraw/zinc/56/41/69/947564169.db2.gz VCLITEBISRGAPA-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573343956 947564177 /nfs/dbraw/zinc/56/41/77/947564177.db2.gz VCLITEBISRGAPA-UHFFFAOYSA-N -1 1 372.433 0.582 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573343986 947565866 /nfs/dbraw/zinc/56/58/66/947565866.db2.gz VQYLNLUFLIAGKZ-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573343986 947565876 /nfs/dbraw/zinc/56/58/76/947565876.db2.gz VQYLNLUFLIAGKZ-XQQFMLRXSA-N -1 1 370.417 0.333 20 30 FCEDMM C[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573614464 947585579 /nfs/dbraw/zinc/58/55/79/947585579.db2.gz MDXHTHDMVUHISD-SNVBAGLBSA-N -1 1 364.373 0.214 20 30 FCEDMM C[C@H](C(=O)Nc1nc(Cl)c(C#N)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756299 948807257 /nfs/dbraw/zinc/80/72/57/948807257.db2.gz YSKOEMQKEYDGNO-SCSAIBSYSA-N -1 1 350.755 0.639 20 30 FCEDMM CC(C)(C)C#CC(=O)NCCOCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573793039 949282274 /nfs/dbraw/zinc/28/22/74/949282274.db2.gz IQJNDYYPHVNIDE-UHFFFAOYSA-N -1 1 372.433 0.641 20 30 FCEDMM CC(C)(C)C#CC(=O)NCCOCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573793039 949282291 /nfs/dbraw/zinc/28/22/91/949282291.db2.gz IQJNDYYPHVNIDE-UHFFFAOYSA-N -1 1 372.433 0.641 20 30 FCEDMM C[C@@H](c1nccs1)N1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001575525592 949351114 /nfs/dbraw/zinc/35/11/14/949351114.db2.gz YQEKQLPRGILDJL-JTQLQIEISA-N -1 1 368.430 0.868 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574983457 950221015 /nfs/dbraw/zinc/22/10/15/950221015.db2.gz OGEFLZRJGSWCMM-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574983457 950221034 /nfs/dbraw/zinc/22/10/34/950221034.db2.gz OGEFLZRJGSWCMM-SECBINFHSA-N -1 1 352.362 0.334 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001570971360 950321297 /nfs/dbraw/zinc/32/12/97/950321297.db2.gz NATBIWBOKAELDO-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001570971360 950321314 /nfs/dbraw/zinc/32/13/14/950321314.db2.gz NATBIWBOKAELDO-NWDGAFQWSA-N -1 1 355.406 0.634 20 30 FCEDMM CC(C)(C)OC(=O)N1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CO1 ZINC001573857350 950402921 /nfs/dbraw/zinc/40/29/21/950402921.db2.gz PVGWAAAVPGZFMB-QMMMGPOBSA-N -1 1 359.350 0.491 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC(C)(C)C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576214863 950681390 /nfs/dbraw/zinc/68/13/90/950681390.db2.gz CZANUDRBXZKRNG-OLZOCXBDSA-N -1 1 368.445 0.777 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])c1cc[nH]n1 ZINC001590648524 950968169 /nfs/dbraw/zinc/96/81/69/950968169.db2.gz RUMVKPJAYHKSHU-IINYFYTJSA-N -1 1 366.374 0.405 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938134 950969607 /nfs/dbraw/zinc/96/96/07/950969607.db2.gz NCGWMMGJANQFHF-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938134 950969611 /nfs/dbraw/zinc/96/96/11/950969611.db2.gz NCGWMMGJANQFHF-ONGXEEELSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938133 950973301 /nfs/dbraw/zinc/97/33/01/950973301.db2.gz NCGWMMGJANQFHF-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575938133 950973320 /nfs/dbraw/zinc/97/33/20/950973320.db2.gz NCGWMMGJANQFHF-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575019195 951035595 /nfs/dbraw/zinc/03/55/95/951035595.db2.gz RZYRNNYFSVTHNP-VIFPVBQESA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571008839 951203377 /nfs/dbraw/zinc/20/33/77/951203377.db2.gz HKIDFWLAVKUQFA-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571008839 951203384 /nfs/dbraw/zinc/20/33/84/951203384.db2.gz HKIDFWLAVKUQFA-NOZJJQNGSA-N -1 1 364.373 0.429 20 30 FCEDMM C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571011837 951240891 /nfs/dbraw/zinc/24/08/91/951240891.db2.gz ABBVTQALCKKPNJ-INIZCTEOSA-N -1 1 364.373 0.255 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571060079 951932778 /nfs/dbraw/zinc/93/27/78/951932778.db2.gz XNCRNECDGNDKQS-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CCN(CC1CCN(C(=O)[C@@H](C)C#N)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571060079 951932782 /nfs/dbraw/zinc/93/27/82/951932782.db2.gz XNCRNECDGNDKQS-LBPRGKRZSA-N -1 1 369.433 0.881 20 30 FCEDMM CC(C)(CNc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1COCC12OCCO2 ZINC001571094761 952279203 /nfs/dbraw/zinc/27/92/03/952279203.db2.gz XMGHMNCGKDAAPF-LLVKDONJSA-N -1 1 372.389 0.356 20 30 FCEDMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575180979 952421014 /nfs/dbraw/zinc/42/10/14/952421014.db2.gz ZBPHICSZADMXQA-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575180979 952421016 /nfs/dbraw/zinc/42/10/16/952421016.db2.gz ZBPHICSZADMXQA-SECBINFHSA-N -1 1 352.362 0.429 20 30 FCEDMM N#Cc1cccc(C2(NCCS(=O)(=O)CC(=O)[O-])CCOCC2)c1 ZINC001594625506 956310835 /nfs/dbraw/zinc/31/08/35/956310835.db2.gz KOFPUDRLRGCMQF-UHFFFAOYSA-N -1 1 352.412 0.653 20 30 FCEDMM C#CCN(CC(=O)[O-])S(=O)(=O)c1c(O)cccc1OC(F)(F)F ZINC001573320111 958474980 /nfs/dbraw/zinc/47/49/80/958474980.db2.gz HKRGAVHUKVLARU-UHFFFAOYSA-N -1 1 353.274 0.999 20 30 FCEDMM Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594248168 959600263 /nfs/dbraw/zinc/60/02/63/959600263.db2.gz 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ZINC001574627767 1271425669 /nfs/dbraw/zinc/42/56/69/1271425669.db2.gz BQCHDNUQOUZVBP-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574636050 1271434201 /nfs/dbraw/zinc/43/42/01/1271434201.db2.gz MWOSEENBSQDZME-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574636050 1271434202 /nfs/dbraw/zinc/43/42/02/1271434202.db2.gz MWOSEENBSQDZME-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574664364 1271467654 /nfs/dbraw/zinc/46/76/54/1271467654.db2.gz BADMIXVGDFJZJP-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM C[C@@H](CCNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574664364 1271467659 /nfs/dbraw/zinc/46/76/59/1271467659.db2.gz BADMIXVGDFJZJP-VIFPVBQESA-N -1 1 352.362 0.477 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580653357 1278640132 /nfs/dbraw/zinc/64/01/32/1278640132.db2.gz XLBUBBVRNCCNPF-JTQLQIEISA-N -1 1 355.406 0.457 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001580653357 1278640148 /nfs/dbraw/zinc/64/01/48/1278640148.db2.gz XLBUBBVRNCCNPF-JTQLQIEISA-N -1 1 355.406 0.457 20 30 FCEDMM C[C@H](CN(C)c1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574802951 1271540479 /nfs/dbraw/zinc/54/04/79/1271540479.db2.gz HGHLCYPFMNDAHY-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811641 1271553984 /nfs/dbraw/zinc/55/39/84/1271553984.db2.gz VJLWJKOLEAIZBL-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@H](CN(C)c1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574811641 1271553990 /nfs/dbraw/zinc/55/39/90/1271553990.db2.gz VJLWJKOLEAIZBL-SECBINFHSA-N -1 1 352.362 0.111 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575314013 1271910496 /nfs/dbraw/zinc/91/04/96/1271910496.db2.gz KLPRSWPDWXNHCS-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575314013 1271910503 /nfs/dbraw/zinc/91/05/03/1271910503.db2.gz KLPRSWPDWXNHCS-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575319401 1271920925 /nfs/dbraw/zinc/92/09/25/1271920925.db2.gz LJHNQKDQVYQNIH-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575319401 1271920938 /nfs/dbraw/zinc/92/09/38/1271920938.db2.gz LJHNQKDQVYQNIH-IUCAKERBSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575330397 1271944597 /nfs/dbraw/zinc/94/45/97/1271944597.db2.gz LAVFKSSPEJLYRG-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575330397 1271944606 /nfs/dbraw/zinc/94/46/06/1271944606.db2.gz LAVFKSSPEJLYRG-DTWKUNHWSA-N -1 1 352.362 0.475 20 30 FCEDMM C[C@H](Oc1ccc(Oc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1)C(N)=O ZINC001575493269 1272168817 /nfs/dbraw/zinc/16/88/17/1272168817.db2.gz JGHLNTKKNWRREA-QMMMGPOBSA-N -1 1 352.314 0.573 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685602 1278711449 /nfs/dbraw/zinc/71/14/49/1278711449.db2.gz UPRUDILACLKDGF-NXEZZACHSA-N -1 1 366.389 0.784 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001580685602 1278711453 /nfs/dbraw/zinc/71/14/53/1278711453.db2.gz UPRUDILACLKDGF-NXEZZACHSA-N -1 1 366.389 0.784 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041759 1272761230 /nfs/dbraw/zinc/76/12/30/1272761230.db2.gz SKHQOLQNELZBFB-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001576041759 1272761240 /nfs/dbraw/zinc/76/12/40/1272761240.db2.gz SKHQOLQNELZBFB-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059490 1272798051 /nfs/dbraw/zinc/79/80/51/1272798051.db2.gz ONRLWDUFQLXZPT-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001576059490 1272798054 /nfs/dbraw/zinc/79/80/54/1272798054.db2.gz ONRLWDUFQLXZPT-JOYOIKCWSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576264400 1273056755 /nfs/dbraw/zinc/05/67/55/1273056755.db2.gz QBFUJWQIZXOOSL-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576264400 1273056763 /nfs/dbraw/zinc/05/67/63/1273056763.db2.gz QBFUJWQIZXOOSL-QWRGUYRKSA-N -1 1 373.446 0.562 20 30 FCEDMM CC(C)[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001576358769 1273182861 /nfs/dbraw/zinc/18/28/61/1273182861.db2.gz BJCCAYYZCSQQCX-GBIKHYSHSA-N -1 1 373.421 0.534 20 30 FCEDMM C[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCN1CC(F)(F)F ZINC001576365115 1273187233 /nfs/dbraw/zinc/18/72/33/1273187233.db2.gz OEAPHTICUZNZLA-MRVPVSSYSA-N -1 1 353.312 0.601 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C#N)c1 ZINC001576364995 1273187491 /nfs/dbraw/zinc/18/74/91/1273187491.db2.gz MXKHHVVYXYNSAA-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C#N)c1 ZINC001576364995 1273187494 /nfs/dbraw/zinc/18/74/94/1273187494.db2.gz MXKHHVVYXYNSAA-JTQLQIEISA-N -1 1 365.357 0.472 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580713643 1278777186 /nfs/dbraw/zinc/77/71/86/1278777186.db2.gz CAGKHFUWMINCMB-NSHDSACASA-N -1 1 364.373 0.492 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001580713643 1278777197 /nfs/dbraw/zinc/77/71/97/1278777197.db2.gz CAGKHFUWMINCMB-NSHDSACASA-N -1 1 364.373 0.492 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@](C)(NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001580715347 1278781029 /nfs/dbraw/zinc/78/10/29/1278781029.db2.gz BFWVENLLLORRLD-JDNHERCYSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@](C)(NC(=O)[C@H](C)C#N)C2CC2)n1 ZINC001580715347 1278781040 /nfs/dbraw/zinc/78/10/40/1278781040.db2.gz BFWVENLLLORRLD-JDNHERCYSA-N -1 1 355.406 0.822 20 30 FCEDMM Cc1cc(=O)[nH]c(N2CC[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)n1 ZINC001580763548 1278888388 /nfs/dbraw/zinc/88/83/88/1278888388.db2.gz CZVQHGQRYMMDCB-SECBINFHSA-N -1 1 365.361 0.023 20 30 FCEDMM CCN(Cc1c(CO)cnc(C)c1O)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578170811 1275467596 /nfs/dbraw/zinc/46/75/96/1275467596.db2.gz AWRLTHVPKWTPBJ-UHFFFAOYSA-N -1 1 367.373 0.456 20 30 FCEDMM CCN(Cc1c(CO)cnc(C)c1O)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578170811 1275467599 /nfs/dbraw/zinc/46/75/99/1275467599.db2.gz AWRLTHVPKWTPBJ-UHFFFAOYSA-N -1 1 367.373 0.456 20 30 FCEDMM CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001578194773 1275483585 /nfs/dbraw/zinc/48/35/85/1275483585.db2.gz NJFNXCPHZPPMEJ-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cncc(-c2nnn[n-]2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578201158 1275492350 /nfs/dbraw/zinc/49/23/50/1275492350.db2.gz WGNXRNJSJGEPDB-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCN(c1cncc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001578201158 1275492354 /nfs/dbraw/zinc/49/23/54/1275492354.db2.gz WGNXRNJSJGEPDB-SNVBAGLBSA-N -1 1 366.389 0.501 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)n1 ZINC001578583180 1276015834 /nfs/dbraw/zinc/01/58/34/1276015834.db2.gz DZUJTUYSQBXHGH-NSHDSACASA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)n1 ZINC001578583180 1276015840 /nfs/dbraw/zinc/01/58/40/1276015840.db2.gz DZUJTUYSQBXHGH-NSHDSACASA-N -1 1 369.433 0.806 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001578590850 1276023496 /nfs/dbraw/zinc/02/34/96/1276023496.db2.gz JMYUIECEKFRSPF-MNOVXSKESA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001578590850 1276023500 /nfs/dbraw/zinc/02/35/00/1276023500.db2.gz JMYUIECEKFRSPF-MNOVXSKESA-N -1 1 355.406 0.464 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc(-c2nnn[n-]2)n1 ZINC001578628686 1276076255 /nfs/dbraw/zinc/07/62/55/1276076255.db2.gz QHUZURCGAXPLOW-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)cc(-c2nn[n-]n2)n1 ZINC001578628686 1276076263 /nfs/dbraw/zinc/07/62/63/1276076263.db2.gz QHUZURCGAXPLOW-VIFPVBQESA-N -1 1 366.389 0.649 20 30 FCEDMM CCc1nc(NC2CC(CNC(=O)[C@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578637558 1276087277 /nfs/dbraw/zinc/08/72/77/1276087277.db2.gz DWXBBAATPYDXPH-KPPDAEKUSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NC2CC(CNC(=O)[C@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578637558 1276087279 /nfs/dbraw/zinc/08/72/79/1276087279.db2.gz DWXBBAATPYDXPH-KPPDAEKUSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NCC2CC(NC(=O)[C@@H](C)C#N)C2)cc(-c2nnn[n-]2)n1 ZINC001578653579 1276103594 /nfs/dbraw/zinc/10/35/94/1276103594.db2.gz VMKGPMCXZBCIOO-WHXUTIOJSA-N -1 1 355.406 0.685 20 30 FCEDMM CCc1nc(NCC2CC(NC(=O)[C@@H](C)C#N)C2)cc(-c2nn[n-]n2)n1 ZINC001578653579 1276103596 /nfs/dbraw/zinc/10/35/96/1276103596.db2.gz VMKGPMCXZBCIOO-WHXUTIOJSA-N -1 1 355.406 0.685 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)[C@H](C#N)c2ccccc2)c1=O ZINC001578735799 1276212896 /nfs/dbraw/zinc/21/28/96/1276212896.db2.gz CFHRWNTXXJKKIC-GFCCVEGCSA-N -1 1 365.353 0.086 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001578902276 1276441301 /nfs/dbraw/zinc/44/13/01/1276441301.db2.gz ZMDSBJJBYHLJKX-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001578902276 1276441306 /nfs/dbraw/zinc/44/13/06/1276441306.db2.gz ZMDSBJJBYHLJKX-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578902287 1276442188 /nfs/dbraw/zinc/44/21/88/1276442188.db2.gz ZQEDSZOIEMJAJX-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1c[nH]c(C#N)c1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578902287 1276442189 /nfs/dbraw/zinc/44/21/89/1276442189.db2.gz ZQEDSZOIEMJAJX-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001578921120 1276463140 /nfs/dbraw/zinc/46/31/40/1276463140.db2.gz CPVHMQDRAISRGZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001578921120 1276463141 /nfs/dbraw/zinc/46/31/41/1276463141.db2.gz CPVHMQDRAISRGZ-UHFFFAOYSA-N -1 1 364.373 0.572 20 30 FCEDMM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001578921835 1276465144 /nfs/dbraw/zinc/46/51/44/1276465144.db2.gz YVOKQOVVQKYXDS-NSHDSACASA-N -1 1 364.373 0.207 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116345 1276785654 /nfs/dbraw/zinc/78/56/54/1276785654.db2.gz HGAXXBJZXYMSJF-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001579116345 1276785657 /nfs/dbraw/zinc/78/56/57/1276785657.db2.gz HGAXXBJZXYMSJF-UHFFFAOYSA-N -1 1 366.389 0.455 20 30 FCEDMM CN(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001579158717 1276904802 /nfs/dbraw/zinc/90/48/02/1276904802.db2.gz LTIZYBUZXSUKJV-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579158717 1276904813 /nfs/dbraw/zinc/90/48/13/1276904813.db2.gz LTIZYBUZXSUKJV-UHFFFAOYSA-N -1 1 352.362 0.065 20 30 FCEDMM CN(CCc1ccc2c(c1)OCO2)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579230168 1277039395 /nfs/dbraw/zinc/03/93/95/1277039395.db2.gz XUAXJEKHHVROOK-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM CN(CCc1ccc2c(c1)OCO2)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579230168 1277039400 /nfs/dbraw/zinc/03/94/00/1277039400.db2.gz XUAXJEKHHVROOK-UHFFFAOYSA-N -1 1 350.342 0.936 20 30 FCEDMM COC(=O)CN(CCC(F)(F)F)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579449074 1277339176 /nfs/dbraw/zinc/33/91/76/1277339176.db2.gz IACCQSPPDQWZBA-UHFFFAOYSA-N -1 1 356.268 0.460 20 30 FCEDMM COC(=O)c1ccc(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001579480673 1277389136 /nfs/dbraw/zinc/38/91/36/1277389136.db2.gz FPEAVPIUVMUHDG-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM COC(=O)c1ccc(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001579480673 1277389145 /nfs/dbraw/zinc/38/91/45/1277389145.db2.gz FPEAVPIUVMUHDG-UHFFFAOYSA-N -1 1 350.342 0.970 20 30 FCEDMM COc1ccc(OC)c([C@@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001580048124 1277999031 /nfs/dbraw/zinc/99/90/31/1277999031.db2.gz FHDAHGFDRDJRHR-LBPRGKRZSA-N -1 1 368.357 0.691 20 30 FCEDMM CC(C)C#CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001603190084 1287326905 /nfs/dbraw/zinc/32/69/05/1287326905.db2.gz VNJCXJKBVAAKHW-UONOGXRCSA-N -1 1 368.445 0.635 20 30 FCEDMM Cc1cc(N2CCC(Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)n[nH]1 ZINC001580961914 1279167514 /nfs/dbraw/zinc/16/75/14/1279167514.db2.gz YBHNSZQLWQPOOR-UHFFFAOYSA-N -1 1 351.378 0.641 20 30 FCEDMM Cc1cc(N2CCC(Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)n[nH]1 ZINC001580961914 1279167517 /nfs/dbraw/zinc/16/75/17/1279167517.db2.gz YBHNSZQLWQPOOR-UHFFFAOYSA-N -1 1 351.378 0.641 20 30 FCEDMM CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC001603258597 1287340888 /nfs/dbraw/zinc/34/08/88/1287340888.db2.gz NFEOSLHRZPOIBQ-UHFFFAOYSA-N -1 1 362.361 0.643 20 30 FCEDMM Cc1ccc(N2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)CC2=O)cc1 ZINC001581208010 1279506083 /nfs/dbraw/zinc/50/60/83/1279506083.db2.gz GPNPNKHEZPFBDJ-UHFFFAOYSA-N -1 1 361.369 0.690 20 30 FCEDMM Cc1ccc(N2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)CC2=O)cc1 ZINC001581208010 1279506094 /nfs/dbraw/zinc/50/60/94/1279506094.db2.gz GPNPNKHEZPFBDJ-UHFFFAOYSA-N -1 1 361.369 0.690 20 30 FCEDMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603536760 1287412977 /nfs/dbraw/zinc/41/29/77/1287412977.db2.gz XGEPXBYPGKZKJF-VIFPVBQESA-N -1 1 359.394 0.878 20 30 FCEDMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603536760 1287412982 /nfs/dbraw/zinc/41/29/82/1287412982.db2.gz XGEPXBYPGKZKJF-VIFPVBQESA-N -1 1 359.394 0.878 20 30 FCEDMM Cc1nsc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001581706181 1280407867 /nfs/dbraw/zinc/40/78/67/1280407867.db2.gz FYINLAUZYIESNW-VXNVDRBHSA-N -1 1 350.408 0.023 20 30 FCEDMM Cn1c(=O)[nH]c(NCc2ccc(OCC#N)cc2)c(-c2nn[n-]n2)c1=O ZINC001581747304 1280450998 /nfs/dbraw/zinc/45/09/98/1280450998.db2.gz HZDUVPLFFBSRIE-UHFFFAOYSA-N -1 1 354.330 0.180 20 30 FCEDMM Cn1nc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1Br ZINC001581821764 1280567539 /nfs/dbraw/zinc/56/75/39/1280567539.db2.gz LLJVCSRGZTXHBY-UHFFFAOYSA-N -1 1 363.139 0.210 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001581858758 1280610698 /nfs/dbraw/zinc/61/06/98/1280610698.db2.gz UQZIIOLHBQAARG-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#CCSCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001581858758 1280610709 /nfs/dbraw/zinc/61/07/09/1280610709.db2.gz UQZIIOLHBQAARG-UHFFFAOYSA-N -1 1 373.446 0.754 20 30 FCEDMM N#Cc1[n-]c(NC(=O)C[C@H](n2ccnc2)C(F)(F)F)nc1-c1nn[nH]n1 ZINC001581860085 1280611090 /nfs/dbraw/zinc/61/10/90/1280611090.db2.gz KEARUQUHLIMLLF-ZETCQYMHSA-N -1 1 366.267 0.790 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@H]2CCCN(CC(F)F)C2)nc1-c1nn[nH]n1 ZINC001581860240 1280612365 /nfs/dbraw/zinc/61/23/65/1280612365.db2.gz QPORCGCXPQUPED-ZETCQYMHSA-N -1 1 351.321 0.377 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ncsc1Br ZINC001581860452 1280614423 /nfs/dbraw/zinc/61/44/23/1280614423.db2.gz AKOYVEGOXQQRPE-UHFFFAOYSA-N -1 1 352.181 0.784 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCO[C@@H](c3ccccc3)O2)nc1-c1nn[nH]n1 ZINC001581860220 1280614642 /nfs/dbraw/zinc/61/46/42/1280614642.db2.gz PONGJNBLEDGOSF-XHDPSFHLSA-N -1 1 366.341 0.904 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)c[nH]1 ZINC001581864836 1280618810 /nfs/dbraw/zinc/61/88/10/1280618810.db2.gz QPWKHKJGPDDXIQ-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)c[nH]1 ZINC001581864836 1280618812 /nfs/dbraw/zinc/61/88/12/1280618812.db2.gz QPWKHKJGPDDXIQ-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c[nH]1 ZINC001581865953 1280620558 /nfs/dbraw/zinc/62/05/58/1280620558.db2.gz PWFYNZFPHHHSFP-ZDUSSCGKSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c[nH]1 ZINC001581865953 1280620564 /nfs/dbraw/zinc/62/05/64/1280620564.db2.gz PWFYNZFPHHHSFP-ZDUSSCGKSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581866543 1280621664 /nfs/dbraw/zinc/62/16/64/1280621664.db2.gz IRRDXZQDZULRGS-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1cc(F)ccc1S(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581866543 1280621670 /nfs/dbraw/zinc/62/16/70/1280621670.db2.gz IRRDXZQDZULRGS-UHFFFAOYSA-N -1 1 365.375 0.812 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001581867583 1280622005 /nfs/dbraw/zinc/62/20/05/1280622005.db2.gz NXLQQGZILJAGKO-UHFFFAOYSA-N -1 1 362.353 0.180 20 30 FCEDMM N#Cc1ccc(C(=O)NCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001581867583 1280622015 /nfs/dbraw/zinc/62/20/15/1280622015.db2.gz NXLQQGZILJAGKO-UHFFFAOYSA-N -1 1 362.353 0.180 20 30 FCEDMM N#Cc1ccc(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)[nH]1 ZINC001581867573 1280622319 /nfs/dbraw/zinc/62/23/19/1280622319.db2.gz NRYMJUQHDIYGDZ-UHFFFAOYSA-N -1 1 364.373 0.255 20 30 FCEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001581868033 1280625055 /nfs/dbraw/zinc/62/50/55/1280625055.db2.gz FIFSLFFFVUGAOD-UHFFFAOYSA-N -1 1 364.373 0.209 20 30 FCEDMM N#Cc1ccc(Cn2c(=O)[nH]cc(-c3nn[n-]n3)c2=O)c(OC(F)F)c1 ZINC001581872223 1280626965 /nfs/dbraw/zinc/62/69/65/1280626965.db2.gz QBXAIRMIQOCZLP-UHFFFAOYSA-N -1 1 361.268 0.650 20 30 FCEDMM N#Cc1ccc(CS(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001581872065 1280627829 /nfs/dbraw/zinc/62/78/29/1280627829.db2.gz IYDXKMANROEBJA-UHFFFAOYSA-N -1 1 355.383 0.753 20 30 FCEDMM N#Cc1ccc(CS(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001581872065 1280627837 /nfs/dbraw/zinc/62/78/37/1280627837.db2.gz IYDXKMANROEBJA-UHFFFAOYSA-N -1 1 355.383 0.753 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cnc1-c1nnn[n-]1 ZINC001581878591 1280633984 /nfs/dbraw/zinc/63/39/84/1280633984.db2.gz SIAVDIKOERGXOK-YVEFUNNKSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cnc1-c1nn[n-]n1 ZINC001581878591 1280633997 /nfs/dbraw/zinc/63/39/97/1280633997.db2.gz SIAVDIKOERGXOK-YVEFUNNKSA-N -1 1 366.360 0.833 20 30 FCEDMM N#Cc1nc(N2CCS(=O)(=O)c3ccccc3C2)cnc1-c1nnn[n-]1 ZINC001581879239 1280637123 /nfs/dbraw/zinc/63/71/23/1280637123.db2.gz CQQIRTSOPURFRA-UHFFFAOYSA-N -1 1 368.382 0.322 20 30 FCEDMM N#Cc1nc(N2CCS(=O)(=O)c3ccccc3C2)cnc1-c1nn[n-]n1 ZINC001581879239 1280637125 /nfs/dbraw/zinc/63/71/25/1280637125.db2.gz CQQIRTSOPURFRA-UHFFFAOYSA-N -1 1 368.382 0.322 20 30 FCEDMM N#Cc1nc(N2CCn3c(cnc3C(F)(F)F)C2)cnc1-c1nnn[n-]1 ZINC001581879209 1280637854 /nfs/dbraw/zinc/63/78/54/1280637854.db2.gz BEWHMMSZLNEXCA-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1nc(N2CCn3c(cnc3C(F)(F)F)C2)cnc1-c1nn[n-]n1 ZINC001581879209 1280637859 /nfs/dbraw/zinc/63/78/59/1280637859.db2.gz BEWHMMSZLNEXCA-UHFFFAOYSA-N -1 1 362.279 0.764 20 30 FCEDMM N#Cc1nc(NCCS(=O)(=O)Cc2ccccc2)cnc1-c1nnn[n-]1 ZINC001581880504 1280638235 /nfs/dbraw/zinc/63/82/35/1280638235.db2.gz MKAAHAOFNPAKGB-UHFFFAOYSA-N -1 1 370.398 0.555 20 30 FCEDMM N#Cc1nc(NCCS(=O)(=O)Cc2ccccc2)cnc1-c1nn[n-]n1 ZINC001581880504 1280638241 /nfs/dbraw/zinc/63/82/41/1280638241.db2.gz MKAAHAOFNPAKGB-UHFFFAOYSA-N -1 1 370.398 0.555 20 30 FCEDMM N#Cc1nc(NCc2cccnc2N2CCOCC2)cnc1-c1nnn[n-]1 ZINC001581881388 1280639817 /nfs/dbraw/zinc/63/98/17/1280639817.db2.gz ZVPPPYVYKXCGES-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(NCc2cccnc2N2CCOCC2)cnc1-c1nn[n-]n1 ZINC001581881388 1280639824 /nfs/dbraw/zinc/63/98/24/1280639824.db2.gz ZVPPPYVYKXCGES-UHFFFAOYSA-N -1 1 364.373 0.372 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cnc1-c1nnn[n-]1 ZINC001581880520 1280639863 /nfs/dbraw/zinc/63/98/63/1280639863.db2.gz MWGWKDYCNAUSOZ-ZCFIWIBFSA-N -1 1 353.268 0.103 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cnc1-c1nn[n-]n1 ZINC001581880520 1280639866 /nfs/dbraw/zinc/63/98/66/1280639866.db2.gz MWGWKDYCNAUSOZ-ZCFIWIBFSA-N -1 1 353.268 0.103 20 30 FCEDMM N#Cc1ncc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001581882113 1280640357 /nfs/dbraw/zinc/64/03/57/1280640357.db2.gz LPMPLKMOHREUAB-INIZCTEOSA-N -1 1 352.333 0.765 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cnc1-c1nnn[n-]1 ZINC001581880666 1280641313 /nfs/dbraw/zinc/64/13/13/1280641313.db2.gz RITPRNICTPQUPW-LLVKDONJSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1nc(N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cnc1-c1nn[n-]n1 ZINC001581880666 1280641317 /nfs/dbraw/zinc/64/13/17/1280641317.db2.gz RITPRNICTPQUPW-LLVKDONJSA-N -1 1 365.332 0.885 20 30 FCEDMM N#Cc1ncc(NC2CCN(C(=O)c3ccoc3)CC2)nc1-c1nn[n-]n1 ZINC001581882797 1280644677 /nfs/dbraw/zinc/64/46/77/1280644677.db2.gz HQUOBYGPKAGLGX-UHFFFAOYSA-N -1 1 365.357 0.838 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)nc1-c1nn[n-]n1 ZINC001581883350 1280647536 /nfs/dbraw/zinc/64/75/36/1280647536.db2.gz XBAJDXAKEGUTEM-LLVKDONJSA-N -1 1 368.405 0.620 20 30 FCEDMM N#Cc1ncc(N[C@@H]2CS(=O)(=O)Cc3ccccc32)nc1-c1nn[n-]n1 ZINC001581883211 1280648390 /nfs/dbraw/zinc/64/83/90/1280648390.db2.gz RNMYAXLMWXKXDT-GFCCVEGCSA-N -1 1 368.382 0.610 20 30 FCEDMM C[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001603726423 1287480740 /nfs/dbraw/zinc/48/07/40/1287480740.db2.gz IYZCWINEMAPYTP-SECBINFHSA-N -1 1 369.364 0.876 20 30 FCEDMM C[C@@H]1CN(c2cc(C#N)ncn2)CCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603939278 1287540143 /nfs/dbraw/zinc/54/01/43/1287540143.db2.gz KJFPBBAHVBVMLL-LLVKDONJSA-N -1 1 363.389 0.281 20 30 FCEDMM C[C@@H]1CN(c2cc(C#N)ncn2)CCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603939278 1287540146 /nfs/dbraw/zinc/54/01/46/1287540146.db2.gz KJFPBBAHVBVMLL-LLVKDONJSA-N -1 1 363.389 0.281 20 30 FCEDMM N#Cc1cn(CCNC(=O)c2ccc(CN3CCCCC3)o2)c(=O)[n-]c1=O ZINC001633550082 1282254642 /nfs/dbraw/zinc/25/46/42/1282254642.db2.gz KKJLPIBBHZPBFZ-UHFFFAOYSA-N -1 1 371.397 0.829 20 30 FCEDMM Cc1cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC001586805068 1282315466 /nfs/dbraw/zinc/31/54/66/1282315466.db2.gz IWYPPBSQYXGEIN-OAHLLOKOSA-N -1 1 364.369 0.779 20 30 FCEDMM C#C[C@@H](C)N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001588324984 1282417728 /nfs/dbraw/zinc/41/77/28/1282417728.db2.gz BXRCJTNVCWARHO-GFCCVEGCSA-N -1 1 350.386 0.944 20 30 FCEDMM C#C[C@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001588327388 1282420559 /nfs/dbraw/zinc/42/05/59/1282420559.db2.gz IGKSKBXQYNVCNH-SECBINFHSA-N -1 1 356.321 0.307 20 30 FCEDMM C#C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328568 1282421424 /nfs/dbraw/zinc/42/14/24/1282421424.db2.gz KQUGJEIKGLVCTM-NWDGAFQWSA-N -1 1 351.363 0.465 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001588338858 1282432641 /nfs/dbraw/zinc/43/26/41/1282432641.db2.gz PZYDRHATWNAMMR-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001588338858 1282432646 /nfs/dbraw/zinc/43/26/46/1282432646.db2.gz PZYDRHATWNAMMR-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588338587 1282432799 /nfs/dbraw/zinc/43/27/99/1282432799.db2.gz FLNVUFGUCSKTKP-TZMCWYRMSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588338587 1282432803 /nfs/dbraw/zinc/43/28/03/1282432803.db2.gz FLNVUFGUCSKTKP-TZMCWYRMSA-N -1 1 370.417 0.488 20 30 FCEDMM C#CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588338664 1282432818 /nfs/dbraw/zinc/43/28/18/1282432818.db2.gz NTJSIGZSPPFHLV-QWHCGFSZSA-N -1 1 354.418 0.934 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588340005 1282434235 /nfs/dbraw/zinc/43/42/35/1282434235.db2.gz BXTQTCDURCZCQN-ZDUSSCGKSA-N -1 1 368.445 0.965 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588340005 1282434243 /nfs/dbraw/zinc/43/42/43/1282434243.db2.gz BXTQTCDURCZCQN-ZDUSSCGKSA-N -1 1 368.445 0.965 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001588339961 1282434501 /nfs/dbraw/zinc/43/45/01/1282434501.db2.gz ATUKTHRKFXIHNR-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001588339961 1282434508 /nfs/dbraw/zinc/43/45/08/1282434508.db2.gz ATUKTHRKFXIHNR-ZDUSSCGKSA-N -1 1 354.418 0.935 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588339690 1282434542 /nfs/dbraw/zinc/43/45/42/1282434542.db2.gz RNGZBSCLWHHNTR-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588339690 1282434545 /nfs/dbraw/zinc/43/45/45/1282434545.db2.gz RNGZBSCLWHHNTR-UHFFFAOYSA-N -1 1 370.417 0.226 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588339297 1282435083 /nfs/dbraw/zinc/43/50/83/1282435083.db2.gz NKJUMSSSOHONTL-UKRRQHHQSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588339297 1282435085 /nfs/dbraw/zinc/43/50/85/1282435085.db2.gz NKJUMSSSOHONTL-UKRRQHHQSA-N -1 1 366.429 0.887 20 30 FCEDMM C#CCCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001588340458 1282435877 /nfs/dbraw/zinc/43/58/77/1282435877.db2.gz QNWSVKMQGPMYHR-KRWDZBQOSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588341320 1282436065 /nfs/dbraw/zinc/43/60/65/1282436065.db2.gz DKRIOGXHILQUFI-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588341320 1282436070 /nfs/dbraw/zinc/43/60/70/1282436070.db2.gz DKRIOGXHILQUFI-CYBMUJFWSA-N -1 1 354.418 0.887 20 30 FCEDMM C#CCCCCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001588341499 1282437167 /nfs/dbraw/zinc/43/71/67/1282437167.db2.gz JLPSKQUYSLFJRE-QWHCGFSZSA-N -1 1 354.418 0.674 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1OC ZINC001588342369 1282438537 /nfs/dbraw/zinc/43/85/37/1282438537.db2.gz KTMPMZKWEMSKDA-ZIAGYGMSSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCCCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1OC ZINC001588342369 1282438540 /nfs/dbraw/zinc/43/85/40/1282438540.db2.gz KTMPMZKWEMSKDA-ZIAGYGMSSA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001588342547 1282438752 /nfs/dbraw/zinc/43/87/52/1282438752.db2.gz MYSOFLCASKZZFG-CYBMUJFWSA-N -1 1 370.417 0.172 20 30 FCEDMM C#CCCCCC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588343047 1282441080 /nfs/dbraw/zinc/44/10/80/1282441080.db2.gz XFSLWYWPCZKQGG-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCCCCC(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588343047 1282441086 /nfs/dbraw/zinc/44/10/86/1282441086.db2.gz XFSLWYWPCZKQGG-LBPRGKRZSA-N -1 1 358.406 0.048 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588348204 1282442330 /nfs/dbraw/zinc/44/23/30/1282442330.db2.gz LRQQEMDBSWOHSO-TZMCWYRMSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588348204 1282442334 /nfs/dbraw/zinc/44/23/34/1282442334.db2.gz LRQQEMDBSWOHSO-TZMCWYRMSA-N -1 1 366.429 0.743 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001588347728 1282442973 /nfs/dbraw/zinc/44/29/73/1282442973.db2.gz VKBIRJDWUCIMSD-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(C(=O)[C@H](C)C#N)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588347728 1282442982 /nfs/dbraw/zinc/44/29/82/1282442982.db2.gz VKBIRJDWUCIMSD-GFCCVEGCSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588354917 1282451853 /nfs/dbraw/zinc/45/18/53/1282451853.db2.gz AAZWHPKFJCTPNN-VOMCLLRMSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588354917 1282451855 /nfs/dbraw/zinc/45/18/55/1282451855.db2.gz AAZWHPKFJCTPNN-VOMCLLRMSA-N -1 1 356.390 0.096 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588355335 1282453059 /nfs/dbraw/zinc/45/30/59/1282453059.db2.gz GYLKKIPABVPEBM-MNOVXSKESA-N -1 1 361.431 0.683 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588355380 1282453850 /nfs/dbraw/zinc/45/38/50/1282453850.db2.gz HLMFZVLPSVBOFJ-AAEUAGOBSA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H](C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588355380 1282453854 /nfs/dbraw/zinc/45/38/54/1282453854.db2.gz HLMFZVLPSVBOFJ-AAEUAGOBSA-N -1 1 372.433 0.700 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588355693 1282455499 /nfs/dbraw/zinc/45/54/99/1282455499.db2.gz LJTYHMMGHGJGIR-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588355693 1282455501 /nfs/dbraw/zinc/45/55/01/1282455501.db2.gz LJTYHMMGHGJGIR-VXGBXAGGSA-N -1 1 358.406 0.392 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356063 1282457419 /nfs/dbraw/zinc/45/74/19/1282457419.db2.gz SANNYNBHNZJQSQ-WDEREUQCSA-N -1 1 361.431 0.365 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588356391 1282459728 /nfs/dbraw/zinc/45/97/28/1282459728.db2.gz WXDFYYVSXWKITI-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588356391 1282459732 /nfs/dbraw/zinc/45/97/32/1282459732.db2.gz WXDFYYVSXWKITI-NWDGAFQWSA-N -1 1 356.390 0.098 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1ccc(-c2nnn[n-]2)nn1 ZINC001588356758 1282460678 /nfs/dbraw/zinc/46/06/78/1282460678.db2.gz FYVHYXVFJWZUJB-NEPJUHHUSA-N -1 1 358.406 0.026 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)nn1 ZINC001588356758 1282460685 /nfs/dbraw/zinc/46/06/85/1282460685.db2.gz FYVHYXVFJWZUJB-NEPJUHHUSA-N -1 1 358.406 0.026 20 30 FCEDMM C#CCO[C@H](C)C(=O)NCCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588356948 1282463592 /nfs/dbraw/zinc/46/35/92/1282463592.db2.gz IEHFZMAFSZIKSW-LLVKDONJSA-N -1 1 363.447 0.612 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588356863 1282463663 /nfs/dbraw/zinc/46/36/63/1282463663.db2.gz GYLKKIPABVPEBM-GHMZBOCLSA-N -1 1 361.431 0.683 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588357569 1282466529 /nfs/dbraw/zinc/46/65/29/1282466529.db2.gz LPKIKQKMBJCICI-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588357569 1282466533 /nfs/dbraw/zinc/46/65/33/1282466533.db2.gz LPKIKQKMBJCICI-OLZOCXBDSA-N -1 1 370.417 0.122 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588358088 1282468101 /nfs/dbraw/zinc/46/81/01/1282468101.db2.gz PEKSTFDNRMNIPG-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588358088 1282468111 /nfs/dbraw/zinc/46/81/11/1282468111.db2.gz PEKSTFDNRMNIPG-QWHCGFSZSA-N -1 1 370.417 0.346 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001588359986 1282476291 /nfs/dbraw/zinc/47/62/91/1282476291.db2.gz DWKLFXRNCBYSEZ-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001588359986 1282476297 /nfs/dbraw/zinc/47/62/97/1282476297.db2.gz DWKLFXRNCBYSEZ-IJLUTSLNSA-N -1 1 356.390 0.002 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001588359972 1282477017 /nfs/dbraw/zinc/47/70/17/1282477017.db2.gz DMUPTIOYHGFQDJ-UTUOFQBUSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001588359972 1282477025 /nfs/dbraw/zinc/47/70/25/1282477025.db2.gz DMUPTIOYHGFQDJ-UTUOFQBUSA-N -1 1 370.417 0.317 20 30 FCEDMM C#CCOCCC(=O)N(CC)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588360431 1282477784 /nfs/dbraw/zinc/47/77/84/1282477784.db2.gz PLGUKLSAHCASOB-ZDUSSCGKSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001588360821 1282480707 /nfs/dbraw/zinc/48/07/07/1282480707.db2.gz WKXNKYUPODVFPZ-FZMZJTMJSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001588360821 1282480712 /nfs/dbraw/zinc/48/07/12/1282480712.db2.gz WKXNKYUPODVFPZ-FZMZJTMJSA-N -1 1 370.417 0.264 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588361186 1282482079 /nfs/dbraw/zinc/48/20/79/1282482079.db2.gz GTCYSNQYHCSRIH-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588361186 1282482084 /nfs/dbraw/zinc/48/20/84/1282482084.db2.gz GTCYSNQYHCSRIH-UHFFFAOYSA-N -1 1 370.417 0.029 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588361452 1282483323 /nfs/dbraw/zinc/48/33/23/1282483323.db2.gz NIGSWQLZPSSYMJ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588361452 1282483327 /nfs/dbraw/zinc/48/33/27/1282483327.db2.gz NIGSWQLZPSSYMJ-STQMWFEESA-N -1 1 370.417 0.170 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001588364385 1282491591 /nfs/dbraw/zinc/49/15/91/1282491591.db2.gz CMNYZCKHHTXUKY-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001588364385 1282491597 /nfs/dbraw/zinc/49/15/97/1282491597.db2.gz CMNYZCKHHTXUKY-NSHDSACASA-N -1 1 363.385 0.606 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001588368679 1282493520 /nfs/dbraw/zinc/49/35/20/1282493520.db2.gz WNPXZSATHQSFQM-LBPRGKRZSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NC[C@H](CC)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001588368679 1282493525 /nfs/dbraw/zinc/49/35/25/1282493525.db2.gz WNPXZSATHQSFQM-LBPRGKRZSA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)cc1 ZINC001588371364 1282494124 /nfs/dbraw/zinc/49/41/24/1282494124.db2.gz DZZSCAQXHOZDPX-UHFFFAOYSA-N -1 1 374.408 0.825 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001588379381 1282495359 /nfs/dbraw/zinc/49/53/59/1282495359.db2.gz FGYSNPBTCFDFBZ-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001588379381 1282495366 /nfs/dbraw/zinc/49/53/66/1282495366.db2.gz FGYSNPBTCFDFBZ-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C=C(Br)Cn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001588391059 1282498420 /nfs/dbraw/zinc/49/84/20/1282498420.db2.gz CVCZXUWQMMKKEZ-UHFFFAOYSA-N -1 1 353.180 0.742 20 30 FCEDMM C=C(C)C[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(=O)OCC ZINC001588404888 1282501147 /nfs/dbraw/zinc/50/11/47/1282501147.db2.gz LDQAJQLGVGKPCO-NSHDSACASA-N -1 1 360.374 0.903 20 30 FCEDMM C=C(C)CCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 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1282869620 /nfs/dbraw/zinc/86/96/20/1282869620.db2.gz OXKGNXSJVUKRNN-ZDUSSCGKSA-N -1 1 374.470 0.905 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001589389858 1282871453 /nfs/dbraw/zinc/87/14/53/1282871453.db2.gz PVBBKVORIAOHFJ-ZIAGYGMSSA-N -1 1 368.445 0.895 20 30 FCEDMM CC(C)C#CC(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001589389858 1282871466 /nfs/dbraw/zinc/87/14/66/1282871466.db2.gz PVBBKVORIAOHFJ-ZIAGYGMSSA-N -1 1 368.445 0.895 20 30 FCEDMM CCN(c1ccnc(-c2nn[n-]n2)n1)[C@H](C)CNC(=O)CSCC#N ZINC001604331894 1287607589 /nfs/dbraw/zinc/60/75/89/1287607589.db2.gz GYXHABFQTIYABY-SNVBAGLBSA-N -1 1 361.435 0.244 20 30 FCEDMM C[C@@H](CCCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589820787 1283059202 /nfs/dbraw/zinc/05/92/02/1283059202.db2.gz MPZKIHBTTPYCFP-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@H](CCCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001589820787 1283059207 /nfs/dbraw/zinc/05/92/07/1283059207.db2.gz MPZKIHBTTPYCFP-JTQLQIEISA-N -1 1 366.389 0.867 20 30 FCEDMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589880460 1283107014 /nfs/dbraw/zinc/10/70/14/1283107014.db2.gz BBLKUXIKIPRUEU-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C#CC1CC1)C1CC1 ZINC001589880460 1283107016 /nfs/dbraw/zinc/10/70/16/1283107016.db2.gz BBLKUXIKIPRUEU-KRWDZBQOSA-N -1 1 352.402 0.767 20 30 FCEDMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C#CC2CC2)CC1 ZINC001590149544 1283246596 /nfs/dbraw/zinc/24/65/96/1283246596.db2.gz PEQPIWKZVJZURH-UHFFFAOYSA-N -1 1 352.402 0.863 20 30 FCEDMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C#CC2CC2)CC1 ZINC001590149544 1283246599 /nfs/dbraw/zinc/24/65/99/1283246599.db2.gz PEQPIWKZVJZURH-UHFFFAOYSA-N -1 1 352.402 0.863 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175196 1283279361 /nfs/dbraw/zinc/27/93/61/1283279361.db2.gz MPRPXPJFOHXHGV-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001590175196 1283279371 /nfs/dbraw/zinc/27/93/71/1283279371.db2.gz MPRPXPJFOHXHGV-MWLCHTKSSA-N -1 1 364.373 0.572 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210713 1283339068 /nfs/dbraw/zinc/33/90/68/1283339068.db2.gz OMFOJFHIGFQUJX-YPMHNXCESA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C#CC1CC1 ZINC001590210713 1283339080 /nfs/dbraw/zinc/33/90/80/1283339080.db2.gz OMFOJFHIGFQUJX-YPMHNXCESA-N -1 1 352.402 0.862 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001590266867 1283392081 /nfs/dbraw/zinc/39/20/81/1283392081.db2.gz XGLHIBINPGOGGX-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001590266867 1283392089 /nfs/dbraw/zinc/39/20/89/1283392089.db2.gz XGLHIBINPGOGGX-TZMCWYRMSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001590266320 1283392842 /nfs/dbraw/zinc/39/28/42/1283392842.db2.gz QCQPPDBTCQUTCY-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001590266320 1283392848 /nfs/dbraw/zinc/39/28/48/1283392848.db2.gz QCQPPDBTCQUTCY-OCCSQVGLSA-N -1 1 366.429 0.967 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001590284266 1283411760 /nfs/dbraw/zinc/41/17/60/1283411760.db2.gz QZOLQUFWLRPBFZ-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001590284266 1283411764 /nfs/dbraw/zinc/41/17/64/1283411764.db2.gz QZOLQUFWLRPBFZ-DGCLKSJQSA-N -1 1 352.402 0.719 20 30 FCEDMM CCCCCCCNC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001590592281 1283626683 /nfs/dbraw/zinc/62/66/83/1283626683.db2.gz LHBGEKPUOMKENI-UHFFFAOYSA-N -1 1 364.410 0.399 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001604547328 1287655715 /nfs/dbraw/zinc/65/57/15/1287655715.db2.gz NAKALIISJUQFSO-GFCCVEGCSA-N -1 1 352.402 0.327 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C#CC3CC3)C2)n1 ZINC001604547328 1287655716 /nfs/dbraw/zinc/65/57/16/1287655716.db2.gz NAKALIISJUQFSO-GFCCVEGCSA-N -1 1 352.402 0.327 20 30 FCEDMM CCc1nc(N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)cc(-c2nnn[n-]2)n1 ZINC001604557589 1287660894 /nfs/dbraw/zinc/66/08/94/1287660894.db2.gz OUJFONKAGITQIM-GHMZBOCLSA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(N[C@H](C)[C@@H](C)NC(=O)C#CC2CC2)cc(-c2nn[n-]n2)n1 ZINC001604557589 1287660904 /nfs/dbraw/zinc/66/09/04/1287660904.db2.gz OUJFONKAGITQIM-GHMZBOCLSA-N -1 1 354.418 0.938 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N(C)CCNC(=O)CSCC#N)n1 ZINC001590904048 1283953871 /nfs/dbraw/zinc/95/38/71/1283953871.db2.gz KCEMJKIMJAVECJ-UHFFFAOYSA-N -1 1 361.435 0.028 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N(C)CCNC(=O)CSCC#N)n1 ZINC001590904048 1283953881 /nfs/dbraw/zinc/95/38/81/1283953881.db2.gz KCEMJKIMJAVECJ-UHFFFAOYSA-N -1 1 361.435 0.028 20 30 FCEDMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)C#CC(C)C)C2)n1 ZINC001590906538 1283958460 /nfs/dbraw/zinc/95/84/60/1283958460.db2.gz PBFNAVSVOBCKLB-CYBMUJFWSA-N -1 1 368.445 0.964 20 30 FCEDMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)C#CC(C)C)C2)n1 ZINC001590906538 1283958466 /nfs/dbraw/zinc/95/84/66/1283958466.db2.gz PBFNAVSVOBCKLB-CYBMUJFWSA-N -1 1 368.445 0.964 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)CSCC#N)C2)cc(-c2nnn[n-]2)n1 ZINC001590916170 1283964697 /nfs/dbraw/zinc/96/46/97/1283964697.db2.gz IIUDFVGWLGCXSJ-JTQLQIEISA-N -1 1 373.446 0.489 20 30 FCEDMM CCc1nc(N[C@H]2CCN(C(=O)CSCC#N)C2)cc(-c2nn[n-]n2)n1 ZINC001590916170 1283964701 /nfs/dbraw/zinc/96/47/01/1283964701.db2.gz IIUDFVGWLGCXSJ-JTQLQIEISA-N -1 1 373.446 0.489 20 30 FCEDMM CCc1nc(N[C@@H]2CCN(C(=O)CSCC#N)C2)cc(-c2nnn[n-]2)n1 ZINC001590916171 1283965010 /nfs/dbraw/zinc/96/50/10/1283965010.db2.gz IIUDFVGWLGCXSJ-SNVBAGLBSA-N -1 1 373.446 0.489 20 30 FCEDMM CCc1nc(N[C@@H]2CCN(C(=O)CSCC#N)C2)cc(-c2nn[n-]n2)n1 ZINC001590916171 1283965014 /nfs/dbraw/zinc/96/50/14/1283965014.db2.gz IIUDFVGWLGCXSJ-SNVBAGLBSA-N -1 1 373.446 0.489 20 30 FCEDMM CCc1nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)cc(-c2nnn[n-]2)n1 ZINC001590922131 1283972051 /nfs/dbraw/zinc/97/20/51/1283972051.db2.gz CXKSFARIECTZLH-NSHDSACASA-N -1 1 373.421 0.266 20 30 FCEDMM CCc1nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)cc(-c2nn[n-]n2)n1 ZINC001590922131 1283972057 /nfs/dbraw/zinc/97/20/57/1283972057.db2.gz CXKSFARIECTZLH-NSHDSACASA-N -1 1 373.421 0.266 20 30 FCEDMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2ccc(C#N)cc2)c1=O ZINC001590950074 1283998930 /nfs/dbraw/zinc/99/89/30/1283998930.db2.gz PBKXVQHIJAQZDL-UHFFFAOYSA-N -1 1 367.369 0.551 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)CSCC#N)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591059121 1284120038 /nfs/dbraw/zinc/12/00/38/1284120038.db2.gz FORHPURLQLZXQY-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(C[C@H]1CCN(C(=O)CSCC#N)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591059121 1284120045 /nfs/dbraw/zinc/12/00/45/1284120045.db2.gz FORHPURLQLZXQY-LLVKDONJSA-N -1 1 373.446 0.198 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nnn[n-]2)cn1 ZINC001591076900 1284143713 /nfs/dbraw/zinc/14/37/13/1284143713.db2.gz QDDSAENLWVIZNO-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(CCCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nn[n-]n2)cn1 ZINC001591076900 1284143716 /nfs/dbraw/zinc/14/37/16/1284143716.db2.gz QDDSAENLWVIZNO-UHFFFAOYSA-N -1 1 352.362 0.113 20 30 FCEDMM CN(Cc1cnn(-c2ccccc2)n1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591152411 1284222491 /nfs/dbraw/zinc/22/24/91/1284222491.db2.gz WZUMFJIHHAEHQB-UHFFFAOYSA-N -1 1 359.357 0.745 20 30 FCEDMM CN(Cc1cnn(-c2ccccc2)n1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591152411 1284222500 /nfs/dbraw/zinc/22/25/00/1284222500.db2.gz WZUMFJIHHAEHQB-UHFFFAOYSA-N -1 1 359.357 0.745 20 30 FCEDMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001591161578 1284238544 /nfs/dbraw/zinc/23/85/44/1284238544.db2.gz KUOQJEGBFJWSNU-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001591161578 1284238554 /nfs/dbraw/zinc/23/85/54/1284238554.db2.gz KUOQJEGBFJWSNU-GFCCVEGCSA-N -1 1 364.373 0.207 20 30 FCEDMM COC(=O)c1cccn2cc(Cn3c(C)nc(-c4nn[n-]n4)c3C#N)nc12 ZINC001591304173 1284454425 /nfs/dbraw/zinc/45/44/25/1284454425.db2.gz JMWDJZUHTVEYMV-UHFFFAOYSA-N -1 1 363.341 0.726 20 30 FCEDMM COCC[C@@](C)(C#N)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001591397401 1284537165 /nfs/dbraw/zinc/53/71/65/1284537165.db2.gz CNFKZXRKWJAAAY-KRWDZBQOSA-N -1 1 373.417 0.952 20 30 FCEDMM CN(C)C(=O)c1ccc(NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001604670652 1287720074 /nfs/dbraw/zinc/72/00/74/1287720074.db2.gz OXSWYNYBBXWWAL-UHFFFAOYSA-N -1 1 365.357 0.275 20 30 FCEDMM COCCN(C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC001591418849 1284569100 /nfs/dbraw/zinc/56/91/00/1284569100.db2.gz IXLXZNQMQAURMN-NSHDSACASA-N -1 1 367.373 0.570 20 30 FCEDMM CS(=O)(=O)c1ccccc1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591681360 1284824067 /nfs/dbraw/zinc/82/40/67/1284824067.db2.gz FPZVRUDZJILTAN-UHFFFAOYSA-N -1 1 372.370 0.046 20 30 FCEDMM CS(=O)(=O)c1cccc(OCCn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC001591681469 1284824381 /nfs/dbraw/zinc/82/43/81/1284824381.db2.gz NMQTUCAMHRCMLR-UHFFFAOYSA-N -1 1 359.371 0.417 20 30 FCEDMM CSc1[nH]c(=O)c(C(=O)Nc2n[nH]c(C)c2C#N)cc1-c1nn[n-]n1 ZINC001591705959 1284849121 /nfs/dbraw/zinc/84/91/21/1284849121.db2.gz SBUSOLCXSWLHRU-UHFFFAOYSA-N -1 1 357.359 0.845 20 30 FCEDMM Cc1c(Br)c(C)n(NC(=O)[C@H](C)C#N)c(=O)c1-c1nn[n-]n1 ZINC001591799293 1284911905 /nfs/dbraw/zinc/91/19/05/1284911905.db2.gz GYBGCEZSFYEWKV-RXMQYKEDSA-N -1 1 366.179 0.638 20 30 FCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H](C)NC(=O)CSCC#N)n1 ZINC001591895608 1284983788 /nfs/dbraw/zinc/98/37/88/1284983788.db2.gz RGPKAIKZOVEGHW-SECBINFHSA-N -1 1 361.435 0.529 20 30 FCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H](C)NC(=O)CSCC#N)n1 ZINC001591895608 1284983794 /nfs/dbraw/zinc/98/37/94/1284983794.db2.gz RGPKAIKZOVEGHW-SECBINFHSA-N -1 1 361.435 0.529 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC001592334673 1285243564 /nfs/dbraw/zinc/24/35/64/1285243564.db2.gz DHEMAPAVYAFVON-RISCZKNCSA-N -1 1 372.433 0.955 20 30 FCEDMM Cc1nc(CN2CCN(c3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)cs1 ZINC001592361325 1285276886 /nfs/dbraw/zinc/27/68/86/1285276886.db2.gz KFFXZSVXIWUHCW-UHFFFAOYSA-N -1 1 368.430 0.616 20 30 FCEDMM Cc1nsc(N[C@@H](C)CNC(=O)CSCC#N)c1-c1nn[n-]n1 ZINC001592484909 1285419008 /nfs/dbraw/zinc/41/90/08/1285419008.db2.gz XUTOVFGXZXRHAB-ZETCQYMHSA-N -1 1 352.449 0.805 20 30 FCEDMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592567734 1285480596 /nfs/dbraw/zinc/48/05/96/1285480596.db2.gz OQYYAASKYFQJEV-YPMHNXCESA-N -1 1 366.389 0.354 20 30 FCEDMM N#CC[C@]1(O)CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001592674579 1285570089 /nfs/dbraw/zinc/57/00/89/1285570089.db2.gz GEANVDKWNHVPOX-ZDUSSCGKSA-N -1 1 367.291 0.771 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001592679380 1285575830 /nfs/dbraw/zinc/57/58/30/1285575830.db2.gz OYCZHXJWTJUWDN-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001592679380 1285575835 /nfs/dbraw/zinc/57/58/35/1285575835.db2.gz OYCZHXJWTJUWDN-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592679345 1285576432 /nfs/dbraw/zinc/57/64/32/1285576432.db2.gz NLOQFMYDMOGFOC-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592679345 1285576440 /nfs/dbraw/zinc/57/64/40/1285576440.db2.gz NLOQFMYDMOGFOC-NSHDSACASA-N -1 1 373.446 0.246 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001592679302 1285576947 /nfs/dbraw/zinc/57/69/47/1285576947.db2.gz LZIQIAFRTGHSBI-MNOVXSKESA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001592679302 1285576954 /nfs/dbraw/zinc/57/69/54/1285576954.db2.gz LZIQIAFRTGHSBI-MNOVXSKESA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592679390 1285577013 /nfs/dbraw/zinc/57/70/13/1285577013.db2.gz PDCBFDYUHUIYOT-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592679390 1285577015 /nfs/dbraw/zinc/57/70/15/1285577015.db2.gz PDCBFDYUHUIYOT-WDEREUQCSA-N -1 1 373.446 0.610 20 30 FCEDMM N#CCSCC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001592679372 1285577382 /nfs/dbraw/zinc/57/73/82/1285577382.db2.gz OTHSLXBSEBTYBL-UHFFFAOYSA-N -1 1 373.446 0.753 20 30 FCEDMM N#CCSCC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001592679372 1285577390 /nfs/dbraw/zinc/57/73/90/1285577390.db2.gz OTHSLXBSEBTYBL-UHFFFAOYSA-N -1 1 373.446 0.753 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)nc1-c1nn[nH]n1 ZINC001592682895 1285580401 /nfs/dbraw/zinc/58/04/01/1285580401.db2.gz HJLLCENGQVUKDH-HLTSFMKQSA-N -1 1 355.362 0.095 20 30 FCEDMM N#Cc1[n-]c(NC(=O)c2ccn(C3CCOCC3)n2)nc1-c1nn[nH]n1 ZINC001592682408 1285580511 /nfs/dbraw/zinc/58/05/11/1285580511.db2.gz ZEWOGPBAKMZYPD-UHFFFAOYSA-N -1 1 354.334 0.262 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NCc1ccc(Cl)cc1 ZINC001592681390 1285582037 /nfs/dbraw/zinc/58/20/37/1285582037.db2.gz CMYYOAOZEPSFGH-UHFFFAOYSA-N -1 1 357.765 0.487 20 30 FCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)nc1-c1nn[nH]n1 ZINC001592682893 1285582185 /nfs/dbraw/zinc/58/21/85/1285582185.db2.gz HJLLCENGQVUKDH-DJLDLDEBSA-N -1 1 355.362 0.095 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c[nH]1 ZINC001592685748 1285583849 /nfs/dbraw/zinc/58/38/49/1285583849.db2.gz IYTWOCKDNDGPQB-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c[nH]1 ZINC001592685748 1285583861 /nfs/dbraw/zinc/58/38/61/1285583861.db2.gz IYTWOCKDNDGPQB-GFCCVEGCSA-N -1 1 364.373 0.573 20 30 FCEDMM N#Cc1cc(Br)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592687144 1285583952 /nfs/dbraw/zinc/58/39/52/1285583952.db2.gz MZNHLVOTFAGBTM-UHFFFAOYSA-N -1 1 359.147 0.968 20 30 FCEDMM N#Cc1nc(N(CCO)Cc2cccnc2Cl)cnc1-c1nnn[n-]1 ZINC001592706300 1285592864 /nfs/dbraw/zinc/59/28/64/1285592864.db2.gz RGONYHMNNYEXDL-UHFFFAOYSA-N -1 1 357.765 0.576 20 30 FCEDMM N#Cc1nc(N(CCO)Cc2cccnc2Cl)cnc1-c1nn[n-]n1 ZINC001592706300 1285592868 /nfs/dbraw/zinc/59/28/68/1285592868.db2.gz RGONYHMNNYEXDL-UHFFFAOYSA-N -1 1 357.765 0.576 20 30 FCEDMM N#Cc1ncc(N[C@H]2CCN(c3ccccc3F)C2=O)nc1-c1nn[n-]n1 ZINC001592710139 1285596547 /nfs/dbraw/zinc/59/65/47/1285596547.db2.gz HGHQEBKABFKMCO-JTQLQIEISA-N -1 1 365.332 0.885 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592768179 1285692070 /nfs/dbraw/zinc/69/20/70/1285692070.db2.gz GAGREEDFTHTMFZ-ZDUSSCGKSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592768179 1285692079 /nfs/dbraw/zinc/69/20/79/1285692079.db2.gz GAGREEDFTHTMFZ-ZDUSSCGKSA-N -1 1 364.413 0.545 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001592768624 1285693543 /nfs/dbraw/zinc/69/35/43/1285693543.db2.gz MYHOJZJJXPFNRZ-CQSZACIVSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001592768624 1285693545 /nfs/dbraw/zinc/69/35/45/1285693545.db2.gz MYHOJZJJXPFNRZ-CQSZACIVSA-N -1 1 366.429 0.935 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001592768665 1285693597 /nfs/dbraw/zinc/69/35/97/1285693597.db2.gz OIFMPDMHYKCSFN-KGLIPLIRSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(C#CC1CC1)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001592768665 1285693599 /nfs/dbraw/zinc/69/35/99/1285693599.db2.gz OIFMPDMHYKCSFN-KGLIPLIRSA-N -1 1 364.413 0.909 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592802870 1285723045 /nfs/dbraw/zinc/72/30/45/1285723045.db2.gz JSZHGAVWTXOUSV-HNNXBMFYSA-N -1 1 374.408 0.793 20 30 FCEDMM O=C(CC#Cc1ccccc1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592802870 1285723048 /nfs/dbraw/zinc/72/30/48/1285723048.db2.gz JSZHGAVWTXOUSV-HNNXBMFYSA-N -1 1 374.408 0.793 20 30 FCEDMM O=C(NCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1N=CC=CC1=O ZINC001593378262 1286097429 /nfs/dbraw/zinc/09/74/29/1286097429.db2.gz RRYCLKMPTWOZTP-SSZFMOIBSA-N -1 1 367.373 0.472 20 30 FCEDMM O=C(NCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1N=CC=CC1=O ZINC001593378262 1286097434 /nfs/dbraw/zinc/09/74/34/1286097434.db2.gz RRYCLKMPTWOZTP-SSZFMOIBSA-N -1 1 367.373 0.472 20 30 FCEDMM N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001601048032 1286621076 /nfs/dbraw/zinc/62/10/76/1286621076.db2.gz AIQXSTHDXCXJKR-CZUORRHYSA-N -1 1 362.455 0.910 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN([C@@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109139 1286635086 /nfs/dbraw/zinc/63/50/86/1286635086.db2.gz GRDSSAVSMGGWCP-HUUCEWRRSA-N -1 1 358.398 0.872 20 30 FCEDMM N#Cc1ccc(O[C@@H]2CCN([C@H]3CCCN(CCC(=O)[O-])C3=O)C2)nc1 ZINC001601109137 1286635989 /nfs/dbraw/zinc/63/59/89/1286635989.db2.gz GRDSSAVSMGGWCP-CABCVRRESA-N -1 1 358.398 0.872 20 30 FCEDMM N#Cc1ccc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(C(=O)[O-])c1 ZINC001601112318 1286638644 /nfs/dbraw/zinc/63/86/44/1286638644.db2.gz YYIMKSOBBRACMD-STQMWFEESA-N -1 1 365.411 0.398 20 30 FCEDMM C#CCN(C(=O)COC)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001602714591 1287069954 /nfs/dbraw/zinc/06/99/54/1287069954.db2.gz WGXOWESEMXYTMF-UHFFFAOYSA-N -1 1 370.417 0.042 20 30 FCEDMM C#CCN(C(=O)COC)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001602714591 1287069964 /nfs/dbraw/zinc/06/99/64/1287069964.db2.gz WGXOWESEMXYTMF-UHFFFAOYSA-N -1 1 370.417 0.042 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001602714080 1287070760 /nfs/dbraw/zinc/07/07/60/1287070760.db2.gz JCQAOQXDUQNUMD-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(=O)COCC)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001602714080 1287070769 /nfs/dbraw/zinc/07/07/69/1287070769.db2.gz JCQAOQXDUQNUMD-UHFFFAOYSA-N -1 1 370.417 0.124 20 30 FCEDMM C#CCN(C(=O)[C@@H](C)C#N)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001602714266 1287072043 /nfs/dbraw/zinc/07/20/43/1287072043.db2.gz NZMHRUUENRJAIL-LBPRGKRZSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCN(C(=O)[C@@H](C)C#N)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001602714266 1287072053 /nfs/dbraw/zinc/07/20/53/1287072053.db2.gz NZMHRUUENRJAIL-LBPRGKRZSA-N -1 1 365.401 0.247 20 30 FCEDMM C#CCOCCC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602726293 1287086143 /nfs/dbraw/zinc/08/61/43/1287086143.db2.gz CYAZDDIOPKMUFP-UHFFFAOYSA-N -1 1 372.433 0.290 20 30 FCEDMM C#CCOCCC(=O)N(C)CCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602726293 1287086156 /nfs/dbraw/zinc/08/61/56/1287086156.db2.gz CYAZDDIOPKMUFP-UHFFFAOYSA-N -1 1 372.433 0.290 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602725673 1287086925 /nfs/dbraw/zinc/08/69/25/1287086925.db2.gz LTWANPJMENBMAD-NWDGAFQWSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@H](C)C(=O)N(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602725673 1287086938 /nfs/dbraw/zinc/08/69/38/1287086938.db2.gz LTWANPJMENBMAD-NWDGAFQWSA-N -1 1 372.433 0.516 20 30 FCEDMM C#CCO[C@@H](C)C(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001602726358 1287088411 /nfs/dbraw/zinc/08/84/11/1287088411.db2.gz QSZBDFDFBIOWHM-KOLCDFICSA-N -1 1 363.447 0.977 20 30 FCEDMM C#CCOCCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001602726772 1287088774 /nfs/dbraw/zinc/08/87/74/1287088774.db2.gz IQQIYELZTQQUAR-LLVKDONJSA-N -1 1 361.431 0.684 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001602729396 1287096452 /nfs/dbraw/zinc/09/64/52/1287096452.db2.gz QCGSEINAAOMGKS-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#CCOCCC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001602729396 1287096458 /nfs/dbraw/zinc/09/64/58/1287096458.db2.gz QCGSEINAAOMGKS-LBPRGKRZSA-N -1 1 358.406 0.249 20 30 FCEDMM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001602737449 1287098433 /nfs/dbraw/zinc/09/84/33/1287098433.db2.gz RRANTUUHVMMPCC-GJZGRUSLSA-N -1 1 372.392 0.741 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001602740028 1287100676 /nfs/dbraw/zinc/10/06/76/1287100676.db2.gz UWBYYQFNMGDDAL-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccc(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001602740028 1287100683 /nfs/dbraw/zinc/10/06/83/1287100683.db2.gz UWBYYQFNMGDDAL-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602742389 1287101113 /nfs/dbraw/zinc/10/11/13/1287101113.db2.gz DAEFNDRVOWXZMZ-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccccc1CC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602742389 1287101117 /nfs/dbraw/zinc/10/11/17/1287101117.db2.gz DAEFNDRVOWXZMZ-GFCCVEGCSA-N -1 1 362.397 0.797 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001602740225 1287101853 /nfs/dbraw/zinc/10/18/53/1287101853.db2.gz ZQBKHCOEAZKNCZ-CQSZACIVSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001602740225 1287101857 /nfs/dbraw/zinc/10/18/57/1287101857.db2.gz ZQBKHCOEAZKNCZ-CQSZACIVSA-N -1 1 360.381 0.647 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001602739835 1287102001 /nfs/dbraw/zinc/10/20/01/1287102001.db2.gz PKICFDPFJVDUJV-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001602739835 1287102004 /nfs/dbraw/zinc/10/20/04/1287102004.db2.gz PKICFDPFJVDUJV-CYBMUJFWSA-N -1 1 361.369 0.042 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001602743584 1287102509 /nfs/dbraw/zinc/10/25/09/1287102509.db2.gz YOURYZWMHXLONU-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001602743584 1287102516 /nfs/dbraw/zinc/10/25/16/1287102516.db2.gz YOURYZWMHXLONU-NSHDSACASA-N -1 1 363.385 0.654 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(CC)c2nccnc2-c2nnn[n-]2)c1 ZINC001602745491 1287103415 /nfs/dbraw/zinc/10/34/15/1287103415.db2.gz HVHMARJQODOBRX-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1cncc(C(=O)NCCN(CC)c2nccnc2-c2nn[n-]n2)c1 ZINC001602745491 1287103419 /nfs/dbraw/zinc/10/34/19/1287103419.db2.gz HVHMARJQODOBRX-UHFFFAOYSA-N -1 1 363.385 0.289 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001602743039 1287103579 /nfs/dbraw/zinc/10/35/79/1287103579.db2.gz PIQBQXRYZFEVOW-UHFFFAOYSA-N -1 1 362.397 0.799 20 30 FCEDMM C#Cc1ccccc1CC(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001602743039 1287103583 /nfs/dbraw/zinc/10/35/83/1287103583.db2.gz PIQBQXRYZFEVOW-UHFFFAOYSA-N -1 1 362.397 0.799 20 30 FCEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602753334 1287105277 /nfs/dbraw/zinc/10/52/77/1287105277.db2.gz OCULLUHEFARSCT-GXFFZTMASA-N -1 1 357.374 0.298 20 30 FCEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602753334 1287105281 /nfs/dbraw/zinc/10/52/81/1287105281.db2.gz OCULLUHEFARSCT-GXFFZTMASA-N -1 1 357.374 0.298 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1O ZINC001602759730 1287106712 /nfs/dbraw/zinc/10/67/12/1287106712.db2.gz PTFYLZMTMAKGHF-RYUDHWBXSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(C)CCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1O ZINC001602759730 1287106715 /nfs/dbraw/zinc/10/67/15/1287106715.db2.gz PTFYLZMTMAKGHF-RYUDHWBXSA-N -1 1 358.406 0.069 20 30 FCEDMM C=C(CCC(=O)OC)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001602768149 1287106954 /nfs/dbraw/zinc/10/69/54/1287106954.db2.gz SOUUOLCOVAXJKK-UHFFFAOYSA-N -1 1 368.357 0.895 20 30 FCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001602770302 1287109252 /nfs/dbraw/zinc/10/92/52/1287109252.db2.gz WPMQWJRWUJQUID-OBJOEFQTSA-N -1 1 372.433 0.367 20 30 FCEDMM C=CC(C)(C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001602782859 1287112385 /nfs/dbraw/zinc/11/23/85/1287112385.db2.gz FHHUQTQTXXJXGS-UHFFFAOYSA-N -1 1 372.433 0.946 20 30 FCEDMM C=CC(C)(C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001602782859 1287112396 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C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001602846442 1287136900 /nfs/dbraw/zinc/13/69/00/1287136900.db2.gz NSHLVNJGZJAYIB-DYEKYZERSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001602846442 1287136904 /nfs/dbraw/zinc/13/69/04/1287136904.db2.gz NSHLVNJGZJAYIB-DYEKYZERSA-N -1 1 370.417 0.475 20 30 FCEDMM C=CCNC(=O)CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602862347 1287138051 /nfs/dbraw/zinc/13/80/51/1287138051.db2.gz BRPPMCXAQPEXSU-UHFFFAOYSA-N -1 1 355.280 0.313 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001602867117 1287140697 /nfs/dbraw/zinc/14/06/97/1287140697.db2.gz WFXKNXYOLHCASW-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001602867117 1287140701 /nfs/dbraw/zinc/14/07/01/1287140701.db2.gz WFXKNXYOLHCASW-LBPRGKRZSA-N -1 1 358.406 0.144 20 30 FCEDMM C=CCOCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001602867936 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ZINC001602982237 1287173101 /nfs/dbraw/zinc/17/31/01/1287173101.db2.gz SIEZNBZCXJVEAL-NWDGAFQWSA-N -1 1 355.406 0.857 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603051400 1287197932 /nfs/dbraw/zinc/19/79/32/1287197932.db2.gz JPXFRDWNOZEGDO-STQMWFEESA-N -1 1 368.445 0.825 20 30 FCEDMM CC(C)(C)C#CC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603051581 1287198451 /nfs/dbraw/zinc/19/84/51/1287198451.db2.gz PUKFGJYEMZLHQI-OLZOCXBDSA-N -1 1 368.445 0.967 20 30 FCEDMM CC(C)(C)C#CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603051518 1287198536 /nfs/dbraw/zinc/19/85/36/1287198536.db2.gz NQCDTUJTOLFUIX-GOSISDBHSA-N -1 1 368.445 0.779 20 30 FCEDMM COC(=O)[C@@H](CNc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001604905044 1287813649 /nfs/dbraw/zinc/81/36/49/1287813649.db2.gz SUJAJTMGCVLFHU-NSHDSACASA-N -1 1 350.342 0.897 20 30 FCEDMM COC(=O)[C@@H](CNc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001604905044 1287813653 /nfs/dbraw/zinc/81/36/53/1287813653.db2.gz SUJAJTMGCVLFHU-NSHDSACASA-N -1 1 350.342 0.897 20 30 FCEDMM COCc1ccccc1CNC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001605133939 1287892405 /nfs/dbraw/zinc/89/24/05/1287892405.db2.gz VMJZTSNSKPVGMQ-UHFFFAOYSA-N -1 1 366.385 0.706 20 30 FCEDMM CP(C)(=O)c1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001605352521 1287934156 /nfs/dbraw/zinc/93/41/56/1287934156.db2.gz PUVHAWONMLQJCS-UHFFFAOYSA-N -1 1 356.286 0.962 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cc[nH]n1 ZINC001605542869 1287993307 /nfs/dbraw/zinc/99/33/07/1287993307.db2.gz ZVWAVQMQEGKLJU-QFYYESIMSA-N -1 1 366.374 0.263 20 30 FCEDMM Cc1cccc(OCCCNC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001609433474 1289147936 /nfs/dbraw/zinc/14/79/36/1289147936.db2.gz GRVFNLRPNXKNSV-UHFFFAOYSA-N -1 1 366.385 0.829 20 30 FCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)N1CC(=O)Nc2ccccc21 ZINC001609445345 1289153923 /nfs/dbraw/zinc/15/39/23/1289153923.db2.gz CHSVVDKXNMFABK-UHFFFAOYSA-N -1 1 363.341 0.229 20 30 FCEDMM CCc1ccc(C#CC(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc1 ZINC001605804951 1288091754 /nfs/dbraw/zinc/09/17/54/1288091754.db2.gz YGADOJUMNHQLLF-UHFFFAOYSA-N -1 1 357.454 0.761 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3ccc(C)nc3-c3nnn[n-]3)CC2)c1C#N ZINC001605866909 1288099920 /nfs/dbraw/zinc/09/99/20/1288099920.db2.gz DXRYEKLTBLIKBN-UHFFFAOYSA-N -1 1 364.417 0.810 20 30 FCEDMM Cc1nn(C)c(N2CCN(c3ccc(C)nc3-c3nn[n-]n3)CC2)c1C#N ZINC001605866909 1288099927 /nfs/dbraw/zinc/09/99/27/1288099927.db2.gz DXRYEKLTBLIKBN-UHFFFAOYSA-N -1 1 364.417 0.810 20 30 FCEDMM Cc1nsc(N2CCN(C(=O)NCC3(C#N)CC3)CC2)c1-c1nn[n-]n1 ZINC001606145729 1288185555 /nfs/dbraw/zinc/18/55/55/1288185555.db2.gz PHFBRSRIDKGLHQ-UHFFFAOYSA-N -1 1 373.446 0.767 20 30 FCEDMM Cn1nc(C(F)(F)F)cc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001606267939 1288244837 /nfs/dbraw/zinc/24/48/37/1288244837.db2.gz GWZRIURRWFPWEP-UHFFFAOYSA-N -1 1 350.268 0.893 20 30 FCEDMM Cn1nc(C(F)(F)F)cc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001606267939 1288244840 /nfs/dbraw/zinc/24/48/40/1288244840.db2.gz GWZRIURRWFPWEP-UHFFFAOYSA-N -1 1 350.268 0.893 20 30 FCEDMM N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001606355990 1288269900 /nfs/dbraw/zinc/26/99/00/1288269900.db2.gz AVISXALKWSBYGZ-LLVKDONJSA-N -1 1 350.342 0.575 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC001606355990 1288269906 /nfs/dbraw/zinc/26/99/06/1288269906.db2.gz AVISXALKWSBYGZ-LLVKDONJSA-N -1 1 350.342 0.575 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)ncn1CCCON1C(=O)c2ccccc2C1=O ZINC001606356578 1288272170 /nfs/dbraw/zinc/27/21/70/1288272170.db2.gz ZTXCMSKTJPIVIA-UHFFFAOYSA-N -1 1 364.325 0.553 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c[nH]1 ZINC001606360602 1288273232 /nfs/dbraw/zinc/27/32/32/1288273232.db2.gz XSSLIXBNBRVNCW-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1cc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c[nH]1 ZINC001606360602 1288273240 /nfs/dbraw/zinc/27/32/40/1288273240.db2.gz XSSLIXBNBRVNCW-UHFFFAOYSA-N -1 1 364.373 0.477 20 30 FCEDMM N#Cc1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC001606388674 1288283753 /nfs/dbraw/zinc/28/37/53/1288283753.db2.gz DAFYGKVZHSQAIC-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM N#Cc1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC001606388674 1288283758 /nfs/dbraw/zinc/28/37/58/1288283758.db2.gz DAFYGKVZHSQAIC-UHFFFAOYSA-N -1 1 350.342 0.689 20 30 FCEDMM COC(=O)[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001606425969 1288307653 /nfs/dbraw/zinc/30/76/53/1288307653.db2.gz OYYBQDCELKWSEZ-QWHCGFSZSA-N -1 1 351.403 0.477 20 30 FCEDMM COC(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001606425589 1288307715 /nfs/dbraw/zinc/30/77/15/1288307715.db2.gz LLSAVHVKVGZSSW-RRFJBIMHSA-N -1 1 357.366 0.469 20 30 FCEDMM O=C(NCC#CCO)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001606695664 1288450128 /nfs/dbraw/zinc/45/01/28/1288450128.db2.gz GJZQAFDQFNFJKY-UHFFFAOYSA-N -1 1 371.401 0.247 20 30 FCEDMM O=C(NCCNc1nc(Cl)c(-c2nnn[n-]2)s1)C1N=CC=CC1=O ZINC001607036909 1288605088 /nfs/dbraw/zinc/60/50/88/1288605088.db2.gz CFOSWYVMYLQHAV-YRNVUSSQSA-N -1 1 366.794 0.915 20 30 FCEDMM O=C(NCCNc1nc(Cl)c(-c2nn[n-]n2)s1)C1N=CC=CC1=O ZINC001607036909 1288605090 /nfs/dbraw/zinc/60/50/90/1288605090.db2.gz CFOSWYVMYLQHAV-YRNVUSSQSA-N -1 1 366.794 0.915 20 30 FCEDMM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccsc1-c1nnn[n-]1 ZINC001607038484 1288607750 /nfs/dbraw/zinc/60/77/50/1288607750.db2.gz VTAIFARJMDCRRO-GXDHUFHOSA-N -1 1 359.371 0.184 20 30 FCEDMM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccsc1-c1nn[n-]n1 ZINC001607038484 1288607751 /nfs/dbraw/zinc/60/77/51/1288607751.db2.gz VTAIFARJMDCRRO-GXDHUFHOSA-N -1 1 359.371 0.184 20 30 FCEDMM O=c1nc(NN=Cc2c(F)cc(-c3nn[nH]n3)cc2F)nc2[nH][n-]cc1-2 ZINC001607088394 1288655051 /nfs/dbraw/zinc/65/50/51/1288655051.db2.gz NNODYEJKSOFIMS-UHFFFAOYSA-N -1 1 358.272 0.336 20 30 FCEDMM C#CCC[C@H](O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001609019984 1288882659 /nfs/dbraw/zinc/88/26/59/1288882659.db2.gz NDWMXNCUMQBHQW-LBPRGKRZSA-N -1 1 358.402 0.407 20 30 FCEDMM C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609020592 1288882670 /nfs/dbraw/zinc/88/26/70/1288882670.db2.gz VRHRSCRUSIZMLH-UHFFFAOYSA-N -1 1 360.321 0.838 20 30 FCEDMM C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609020592 1288882671 /nfs/dbraw/zinc/88/26/71/1288882671.db2.gz VRHRSCRUSIZMLH-UHFFFAOYSA-N -1 1 360.321 0.838 20 30 FCEDMM C=CCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC001609056149 1288890584 /nfs/dbraw/zinc/89/05/84/1288890584.db2.gz RXOYRFPZOVZBCJ-JTQLQIEISA-N -1 1 351.388 0.583 20 30 FCEDMM C=CCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC001609056149 1288890586 /nfs/dbraw/zinc/89/05/86/1288890586.db2.gz RXOYRFPZOVZBCJ-JTQLQIEISA-N -1 1 351.388 0.583 20 30 FCEDMM C[C@@H](NC(=O)Cn1c(N)nc(-c2nn[n-]n2)c1C#N)c1ccc(F)cc1 ZINC001609119794 1288932652 /nfs/dbraw/zinc/93/26/52/1288932652.db2.gz KSAFRMGWUWRNJB-MRVPVSSYSA-N -1 1 355.337 0.534 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609132240 1288940564 /nfs/dbraw/zinc/94/05/64/1288940564.db2.gz OPTDYTYNQYGYIT-HWPZZCPQSA-N -1 1 357.374 0.861 20 30 FCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609132240 1288940569 /nfs/dbraw/zinc/94/05/69/1288940569.db2.gz OPTDYTYNQYGYIT-HWPZZCPQSA-N -1 1 357.374 0.861 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)NC(=O)c1ccc(C#N)o1 ZINC001609190426 1288977991 /nfs/dbraw/zinc/97/79/91/1288977991.db2.gz KLSNUHBXLAEJKV-SECBINFHSA-N -1 1 369.341 0.863 20 30 FCEDMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)NC(=O)c1ccc(C#N)o1 ZINC001609190426 1288977999 /nfs/dbraw/zinc/97/79/99/1288977999.db2.gz KLSNUHBXLAEJKV-SECBINFHSA-N -1 1 369.341 0.863 20 30 FCEDMM CCN(C[C@H](C)C#N)C(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609221657 1288993895 /nfs/dbraw/zinc/99/38/95/1288993895.db2.gz NLJRENYGJGBFLR-LLVKDONJSA-N -1 1 355.402 0.525 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1ccc(F)cc1Cl ZINC001609496382 1289180460 /nfs/dbraw/zinc/18/04/60/1289180460.db2.gz IPHUVEVURUSAKA-UHFFFAOYSA-N -1 1 361.728 0.948 20 30 FCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)NCc1cc(F)cc(F)c1 ZINC001609496445 1289180621 /nfs/dbraw/zinc/18/06/21/1289180621.db2.gz MRZSKPLZQVNMEL-UHFFFAOYSA-N -1 1 359.300 0.112 20 30 FCEDMM CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])c1ccn[nH]1 ZINC001610017451 1289346799 /nfs/dbraw/zinc/34/67/99/1289346799.db2.gz CYFVCTMPAZKJHZ-NXEZZACHSA-N -1 1 352.347 0.063 20 30 FCEDMM N#Cc1cccc(CNC(=O)CN2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001610630801 1289534297 /nfs/dbraw/zinc/53/42/97/1289534297.db2.gz DURSBLVDLCJXET-UHFFFAOYSA-N -1 1 356.382 0.870 20 30 FCEDMM Cn1c(=O)[n-]c(NCC2(CN3CCOCC3)CCCCC2)c(C#N)c1=O ZINC001612093326 1289674572 /nfs/dbraw/zinc/67/45/72/1289674572.db2.gz KNBTWPDYKLJPER-UHFFFAOYSA-N -1 1 361.446 0.640 20 30 FCEDMM N#Cc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)cnc1C(F)(F)F ZINC001617703921 1289859859 /nfs/dbraw/zinc/85/98/59/1289859859.db2.gz YQBLSZZKJLHDCY-UHFFFAOYSA-N -1 1 367.291 0.609 20 30 FCEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC(N)=O)cc1Br ZINC001653603248 1291356089 /nfs/dbraw/zinc/35/60/89/1291356089.db2.gz SOOLWDXDSNLKPC-UHFFFAOYSA-N -1 1 350.169 0.614 20 30 FCEDMM COC(=O)C1CCC([N-]S(=O)(=O)CC(C)(C)C#N)(C(=O)OC)CC1 ZINC001668063064 1291954976 /nfs/dbraw/zinc/95/49/76/1291954976.db2.gz ZMBYCIRDSFLHLF-UHFFFAOYSA-N -1 1 360.432 0.731 20 30 FCEDMM