0 B20R3.244 C=Cc1ccc(cc1)c2scc3c2ncnc3N 5def7deb4e3764cdb3be30e918e4eb80 [0,0,0,0,0,0|3,0,1]=4 1 B20R3.244 C=Cc1ccc(cn1)n2ncc3c2ncnc3O 76f262b84609738580522a0cfa18a9f1 [0,0,0,0,0,0|3,0,1]=4 2 B20R3.244 CCc1ccc(cc1)c2scc3c2ncnc3N 94a76b2e11d6f6aa7d22839da5920d91 [0,0,0,0,0,0|3,0,1]=4 3 B20R3.244 COc1ccc(cc1)c2scc3c2ncnc3N c09ec12760f01aa07d8f520dba30f953 [0,0,0,0,0,0|4,0,0]=4 4 B20R3.244 COc1ccc(cc1)n2ccc3c2ncnc3C 718f1db9e7d6a15ca49d8059610d2721 [0,0,0,0,0,0|4,0,0]=4 5 B20R3.244 COc1ccc(cc1)n2ncc3c2ccnc3C f78ff0d9cae003eb148def6ebc15e5fd [0,0,0,0,0,0|4,0,0]=4 6 B20R3.244 COc1ccc(nc1)n2ncc3c2ncnc3O 9b8ae5bc397daf76e923fd274917324d [0,0,0,0,0,0|4,0,0]=4 7 B20R3.244 CSc1ccc(cc1)c2scc3c2ncnc3N 650e363bf58edf80c086627ff2379003 [0,0,0,0,0,0|4,0,0]=4 8 B20R3.244 CSc1ccc(cc1)n2ccc3c2ncnc3O 96b5d9369460883a79093a089262b8d5 [0,0,0,0,0,0|4,0,0]=4 9 B20R3.244 CSc1ccc(cc1)n2ncc3c2ccnc3C 024a5cd9ed9086322b7e7d062fe53866 [0,0,0,0,0,0|4,0,0]=4 10 B20R3.244 Cc1cccc2c1ccn2c3ccc(cc3)C#N 37370a1e07cfe3a45ab762958c8c4d8c [0,0,0,0,0,0|4,0,0]=4 11 B20R3.244 Cc1cccc2c1cnn2c3ccc(nc3)C#N b8606c3187e659a2ad77caf12eb56e1e [0,0,0,0,0,0|4,0,0]=4 12 B20R3.244 Cc1ccnc2c1ccn2c3ccc(cc3)C#N ddd7a29a98235285c9c6fc00f7d80f52 [0,0,0,0,0,0|3,0,0]=3 13 B20R3.244 Cc1ccnc2c1ccn2c3ccc(cn3)C#N 159847240ea5d26f2370d3e43c4a2c3f [0,0,0,0,0,0|4,0,0]=4 14 B20R3.244 Cc1ccnc2c1ccn2c3ccc(nc3)C#N 60bdc5e80cd79c7ead2d050993b1d9ef [0,0,0,0,0,0|4,0,0]=4 15 B20R3.244 Cc1ccnc2c1cnn2c3ccc(nc3)C#N 398feaf708c40661c508500a744f9cf6 [0,0,0,0,0,0|3,0,0]=3 16 B20R3.244 Cc1nccc2c1ccn2c3ccc(nc3)C#N ca7beb2cce65be8f992d57f44c592e2b [0,0,0,0,0,0|4,0,0]=4 17 B20R3.244 Cc1nccc2c1cnn2c3ccc(cc3)C#N 31bf346458ec95a0f2432f65b26459f1 [0,0,0,0,0,0|2,0,0]=2 18 B20R3.244 Cc1nccc2c1cnn2c3ccc(cn3)C#N 2ab551c837d8b9230d69a1b6197cee67 [0,0,0,0,0,0|3,0,0]=3 19 B20R3.244 Cc1nccc2c1cnn2c3ccc(nc3)C#N d90d824c33b9d4f3ee8eb2d093555b08 [0,0,0,0,0,0|3,0,0]=3 20 B20R3.244 Cc1nccc2c1cnn2c3ccc(nn3)C#N e5d976935cc00b2b8880647a4bbde881 [0,0,0,0,0,0|4,0,0]=4 21 B20R3.244 Cc1ncnc2c1ccn2c3ccc(cc3)C=O 0357769d1bf998ee0b3a3ad2b6b89e10 [0,0,0,0,0,0|3,0,1]=4 22 B20R3.244 Cc1ncnc2c1ccn2c3ccc(nc3)C#N 8847c222f0efc76f5594caf34afbd35b [0,0,0,0,0,0|3,0,0]=3 23 B20R3.244 Cc1ncnc2c1ccn2c3ccc(nn3)C#N 21a608c2118f459412dba4f8000c7954 [0,0,0,0,0,0|4,0,0]=4 24 B20R3.244 N#Cc1ccc(cc1)c2c[nH]c3c2ncnc3N 7ed3b52b5d4ec5fa34c8987f13d39c7f [0,0,0,0,0,0|3,0,0]=3 25 B20R3.244 N#Cc1ccc(cc1)c2ccc3n2ccnc3N 88fc4e7f2ef57c170578547a5c985373 [0,0,0,0,0,0|4,0,0]=4 26 B20R3.244 N#Cc1ccc(cc1)c2ccc3n2ncnc3N b756f5aee934fd84d920cc4c6feccd5e [0,0,0,0,0,0|3,0,0]=3 27 B20R3.244 N#Cc1ccc(cc1)c2ccn3c2ncnc3N 6590caa283ea62b9b8e72ee8cd749b22 [0,0,0,0,0,0|3,0,0]=3 28 B20R3.244 N#Cc1ccc(cc1)c2cnc3n2ncnc3N f7ad5605e5dea1ccbe5d41ad61e1e0e2 [0,0,0,0,0,0|4,0,0]=4 29 B20R3.244 N#Cc1ccc(cc1)c2cnn3c2ncnc3N b2ddd42105745e71a0e599ac4e0dde3e [0,0,0,0,0,0|4,0,0]=4 30 B20R3.244 N#Cc1ccc(cc1)c2csc3c2ccnc3N 941712be7033f3be7b0d8410c5f05df3 [0,0,0,0,0,0|4,0,0]=4 31 B20R3.244 N#Cc1ccc(cc1)c2csc3c2ncnc3N cad31342491d138635fadf3daceab796 [0,0,0,0,0,0|3,0,0]=3 32 B20R3.244 N#Cc1ccc(cc1)c2n[nH]c3c2cccc3N da6b451db86dab78fd182447b64a5bc2 [0,0,0,0,0,0|4,0,0]=4 33 B20R3.244 N#Cc1ccc(cc1)c2n[nH]c3c2nc[nH]c3=O ac661c0ea9babd927d847ef96c2605a3 [0,0,0,0,0,0|3,0,1]=4 34 B20R3.244 N#Cc1ccc(cc1)c2scc3c2ncnc3N f7a69c50c4fc60ec7878ba5d8f29a63d [0,0,0,0,0,0|2,0,0]=2 35 B20R3.244 N#Cc1ccc(cc1)n2ccc3c2ccnc3O b35412bf0fc8039a6c7f173c44e06239 [0,0,0,0,0,0|3,0,0]=3 36 B20R3.244 N#Cc1ccc(cc1)n2ccc3c2nccc3F 5f0c6bca3e413b04f8fd143763bced74 [0,0,0,0,0,0|3,0,0]=3 37 B20R3.244 N#Cc1ccc(cc1)n2ccn3c2ccnc3=O ce8bb8c1672779f32776027c473bef68 [0,0,0,0,0,0|4,0,0]=4 38 B20R3.244 N#Cc1ccc(cc1)n2ncc3c2CCNC3=O 68bba897f4f6187046bdd6214c29a339 [0,0,0,0,0,0|2,0,2]=4 39 B20R3.244 N#Cc1ccc(cc1)n2ncc3c2cccc3F 8e2fb999227cc4dea8faa5a7d068043a [0,0,0,0,0,0|3,0,0]=3 40 B20R3.244 N#Cc1ccc(cc1)n2ncc3c2cncc3F 8baa1567063dc4fc2e85745cc149738a [0,0,0,0,0,0|4,0,0]=4 41 B20R3.244 N#Cc1ccc(cc1)n2nnc3c2cccc3O 4f008a2126df43466a401c5da4e07b5b [0,0,0,0,0,0|4,0,0]=4 42 B20R3.244 N#Cc1ccc(cn1)c2c[nH]c3c2ncnc3N 8e6db1129dffeefe3c4b9adbd6cf2f50 [0,0,0,0,0,0|4,0,0]=4 43 B20R3.244 N#Cc1ccc(cn1)c2ccc3n2ncnc3N 2830f425cf6be21f243c4975ffe6875b [0,0,0,0,0,0|4,0,0]=4 44 B20R3.244 N#Cc1ccc(cn1)c2ccn3c2ncnc3N 45697a351222544b90e22021d79f49b8 [0,0,0,0,0,0|4,0,0]=4 45 B20R3.244 N#Cc1ccc(cn1)c2csc3c2ncnc3N 22d7d7939f477ef9e34a5c9048053d70 [0,0,0,0,0,0|4,0,0]=4 46 B20R3.244 N#Cc1ccc(cn1)c2scc3c2ncnc3N 503491510613254c177ad3ba06f5d992 [0,0,0,0,0,0|3,0,0]=3 47 B20R3.244 N#Cc1ccc(cn1)n2ccc3c2ccnc3O a1acc40e11150fb6a80c79aa1df0dad2 [0,0,0,0,0,0|4,0,0]=4 48 B20R3.244 N#Cc1ccc(cn1)n2ccc3c2nccc3F 568a1f3937364b20b24b5bae49ecf0ee [0,0,0,0,0,0|4,0,0]=4 49 B20R3.244 N#Cc1ccc(cn1)n2ccc3c2nccc3O 6073106fe2aaa3d81fa7187617cb5b08 [0,0,0,0,0,0|4,0,0]=4 50 B20R3.244 N#Cc1ccc(cn1)n2ccc3c2ncnc3O 16833cc65a242646bb5d51c17e4a5b99 [0,0,0,0,0,0|3,0,0]=3 51 B20R3.244 N#Cc1ccc(cn1)n2ncc3c2cccc3F 74ba03cac36029c43e804310d3151687 [0,0,0,0,0,0|4,0,0]=4 52 B20R3.244 N#Cc1ccc(cn1)n2ncc3c2cccc3O 90675f22dfe44df5715b776d663e043e [0,0,0,0,0,0|4,0,0]=4 53 B20R3.244 N#Cc1ccc(cn1)n2ncc3c2nccc3O 2f564c2a86867c4bd421ed8e4f6efba6 [0,0,0,0,0,0|3,0,0]=3 54 B20R3.244 N#Cc1ccc(cn1)n2ncc3c2ncnc3O 16ac2e3d0a4695baf978c2bef84c3609 [0,0,0,0,0,0|2,0,0]=2 55 B20R3.244 N#Cc1ccc(nc1)c2c[nH]c3c2ncnc3N 30b46a25d52703cbca8b25cbe5b0b58f [0,0,0,0,0,0|4,0,0]=4 56 B20R3.244 N#Cc1ccc(nc1)c2ccc3n2ncnc3N 3d3452fac23a7fdefa3c94c82782a207 [0,0,0,0,0,0|4,0,0]=4 57 B20R3.244 N#Cc1ccc(nc1)c2scc3c2ncnc3N 976033b18064723580c3536bc0ea0498 [0,0,0,0,0,0|3,0,0]=3 58 B20R3.244 N#Cc1ccc(nc1)n2ccc3c2ccnc3O a75100facf906415f7f994e006634146 [0,0,0,0,0,0|4,0,0]=4 59 B20R3.244 N#Cc1ccc(nc1)n2ccc3c2nccc3F 464c8a3ec8c477e499107b76acbea3c3 [0,0,0,0,0,0|4,0,0]=4 60 B20R3.244 N#Cc1ccc(nn1)n2ccc3c2ncnc3O 310d7004731919e401cb822eda98be47 [0,0,0,0,0,0|4,0,0]=4 61 B20R3.244 N#Cc1ccc(nn1)n2ncc3c2nccc3O 92e85523bc03d07ee9ef0df0155cc05a [0,0,0,0,0,0|4,0,0]=4 62 B20R3.244 N#Cc1ccc(nn1)n2ncc3c2ncnc3O f05caff06a755fa74783b5426704e630 [0,0,0,0,0,0|3,0,0]=3 63 B20R3.244 N#Cc1ncc(cn1)c2scc3c2ncnc3N 5ab0dafe33d291ebcee8a6f285358bb4 [0,0,0,0,0,0|4,0,0]=4 64 B20R3.244 N#Cc1ncc(cn1)n2ncc3c2nccc3O b9937baf3bc67cd853268f22b897ca6a [0,0,0,0,0,0|4,0,0]=4 65 B20R3.244 Nc1ncnc2c1csc2c3ccc(cc3)C=O 8fd2b2b3eb9a42c08837584d0b735a9d [0,0,0,0,0,0|3,0,1]=4 66 B20R3.244 Nc1ncnc2c1csc2c3ccc(cc3)CBr 8ac3c7484b1e18cf8d0bfa748cb3df6a [0,0,0,0,0,0|3,0,1]=4 67 B20R3.244 Nc1ncnc2c1csc2c3ccc(cc3)CCl 73651d450173b8438453b79572c10cdd [0,0,0,0,0,0|3,0,1]=4 68 B20R3.244 Nc1ncnc2c1csc2c3ccc(cc3)CF 095d0209952045890c222d58aca9e16f [0,0,0,0,0,0|3,0,1]=4 69 B20R3.244 Nc1ncnc2c1csc2c3ccc(cc3)CO 76cebae6d759ee660346f77c1dd3aca1 [0,0,0,0,0,0|3,0,1]=4 70 B20R3.244 O=Cc1ccc(cc1)n2ccc3c2ncnc3O 90deaf5e283faced2f713b3f8e7d07b5 [0,0,0,0,0,0|3,0,1]=4 71 B20R3.244 O=Cc1ccc(cn1)n2ncc3c2ncnc3O 7622a9d2fba5df4fde40f2055206fb10 [0,0,0,0,0,0|3,0,1]=4 72 B19R3.5 C=Cc1ccc(cn1)n2ncc3c2ncnc3 9d2ec76cd99986b0e07993a56b23ec97 [1,0,0,0,0,0|2,0,1]=4 73 B19R3.5 COc1ccc(cc1)n2ncc3c2ccnc3 a83c4a8d815c807c57532a489af16ca0 [1,0,0,0,0,0|3,0,0]=4 74 B19R3.5 COc1ccc(nc1)n2ncc3c2ncnc3 e024974709093004c532d2444038d258 [1,0,0,0,0,0|3,0,0]=4 75 B19R3.5 CSc1ccc(cc1)n2ncc3c2ccnc3 4bc42f475230763573dd3477a09a6d52 [1,0,0,0,0,0|3,0,0]=4 76 B19R3.5 N#Cc1ccc(cc1)c2c[nH]c3c2ncnc3 5df3ac6b748cae3deb260885530760cc [1,0,0,0,0,0|3,0,0]=4 77 B19R3.5 N#Cc1ccc(cc1)c2csc3c2ncnc3 11486bc48b251437d983ba3ce8d7c9c8 [1,0,0,0,0,0|3,0,0]=4 78 B19R3.5 N#Cc1ccc(cc1)c2n[nH]c3c2ccnc3 0c5e7c68233e7dd144db90a5795d610e [1,0,0,0,0,0|3,0,0]=4 79 B19R3.5 N#Cc1ccc(cc1)c2n[nH]c3c2nccc3 1f2efdc4ea426b3fdc881c010e2b599c [1,0,0,0,0,0|3,0,0]=4 80 B19R3.5 N#Cc1ccc(cc1)c2noc3c2nccc3 9da5f8bbb26575b0c81f9eec0e693806 [1,0,0,0,0,0|3,0,0]=4 81 B19R3.5 N#Cc1ccc(cc1)n2ccc3c2nccn3 a723d09c2ae477aec2e154d4801b3ff2 [1,0,0,0,0,0|3,0,0]=4 82 B19R3.5 N#Cc1ccc(cc1)n2cnc3c2ccnc3 ec3e15e6d8a0ed13a330c0dcbae7c824 [1,0,0,0,0,0|3,0,0]=4 83 B19R3.5 N#Cc1ccc(cc1)n2ncc3c2ccnc3 fde33966d6d3c6de97441cec6be3a0e1 [1,0,0,0,0,0|1,0,0]=2 84 B19R3.5 N#Cc1ccc(cc1)n2ncc3c2cncc3 c87f2e00c75667d0bd53979808ab0a44 [1,0,0,0,0,0|3,0,0]=4 85 B19R3.5 N#Cc1ccc(cc1)n2nnc3c2ccnc3 b296b0aae4a62d31dbc7646f1b623b98 [1,0,0,0,0,0|2,0,0]=3 86 B19R3.5 N#Cc1ccc(cn1)n2ccc3c2ccnc3 d4b2fee2899e3c899810d30a2d5ad479 [1,0,0,0,0,0|3,0,0]=4 87 B19R3.5 N#Cc1ccc(cn1)n2ncc3c2cccc3 adc8d6e79b40bac6094560fb650d985b [1,0,0,0,0,0|3,0,0]=4 88 B19R3.5 N#Cc1ccc(cn1)n2ncc3c2ccnc3 fde91ef0439764b18fed410db3c32165 [1,0,0,0,0,0|2,0,0]=3 89 B19R3.5 N#Cc1ccc(cn1)n2ncc3c2cnnc3 1d7840301eba88a3c4e3656f534033a8 [1,0,0,0,0,0|3,0,0]=4 90 B19R3.5 N#Cc1ccc(cn1)n2ncc3c2nccc3 dd032f53347908cf19a7a1058669dba3 [1,0,0,0,0,0|2,0,0]=3 91 B19R3.5 N#Cc1ccc(cn1)n2ncc3c2nccn3 960c1161152e7b17959b603dd070ee47 [1,0,0,0,0,0|3,0,0]=4 92 B19R3.5 N#Cc1ccc(cn1)n2nnc3c2ccnc3 8b72fc8d070de6ee282ed1f8928640e7 [1,0,0,0,0,0|3,0,0]=4 93 B19R3.5 N#Cc1ccc(nc1)n2ccc3c2ccnc3 73fc619b769dd4020cc5813c777735f9 [1,0,0,0,0,0|3,0,0]=4 94 B19R3.5 N#Cc1ccc(nc1)n2cnc3c2ncnc3 eba3b40c974978e8e32265f5a85165a0 [1,0,0,0,0,0|3,0,0]=4 95 B19R3.5 N#Cc1ccc(nc1)n2ncc3c2cccc3 976495f1fe01d3b07b2d9fb2818287c2 [1,0,0,0,0,0|3,0,0]=4 96 B19R3.5 N#Cc1ccc(nc1)n2ncc3c2ccnc3 3aadaf357ccf0740591d64e700765c5a [1,0,0,0,0,0|2,0,0]=3 97 B19R3.5 N#Cc1ccc(nc1)n2ncc3c2nccc3 1d0e528a7d3b545b9834d141a58b851f [1,0,0,0,0,0|2,0,0]=3 98 B19R3.5 N#Cc1ccc(nc1)n2ncc3c2nccn3 3a4d1fba050e830565eb80d81100ee48 [1,0,0,0,0,0|3,0,0]=4 99 B19R3.5 N#Cc1ccc(nc1)n2ncc3c2ncnc3 01bd0f16a9630fb4f55bbfbb3ca682c5 [1,0,0,0,0,0|1,0,0]=2 100 B19R3.5 N#Cc1ccc(nc1)n2nnc3c2ccnc3 2e368439e4fa56f1c709ad344405bfc4 [1,0,0,0,0,0|3,0,0]=4 101 B19R3.5 N#Cc1ccc(nn1)n2ncc3c2ccnc3 ea5ac3c139456f944cf52f324b4e5bef [1,0,0,0,0,0|3,0,0]=4 102 B19R3.5 N#Cc1ccc(nn1)n2ncc3c2nccc3 3aaae00b9e82826eba80096971d2c821 [1,0,0,0,0,0|3,0,0]=4 103 B19R3.5 O=Cc1ccc(cn1)n2ncc3c2ncnc3 c50ef90fb75409d1dfd8024ef688b66f [1,0,0,0,0,0|2,0,1]=4 104 B19R3.3863 Cc1ccc(cc1)c2scc3c2ncnc3N 67e6f3fd759788e636f9d3f943fb47f3 [1,0,0,0,0,0|2,0,1]=4 105 B19R3.3863 Cc1ccc(cc1)n2ncc3c2ccnc3C 265e16438db96ecbb8e009930df12c43 [1,0,0,0,0,0|2,0,1]=4 106 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)Br 535e75622c8ec2babf94f9d1ca840ad4 [1,0,0,0,0,0|3,0,0]=4 107 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)Cl f702e6ec4199b39cd6e21a0c0468eed7 [1,0,0,0,0,0|3,0,0]=4 108 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)F b8e1679c13cb0c3fabf6c9073df9cce6 [1,0,0,0,0,0|3,0,0]=4 109 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)I ec24fa28b21ad46526da419733bd0152 [1,0,0,0,0,0|3,0,0]=4 110 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)O ccb4d3146e9d7ac6e20b8dda662b263e [1,0,0,0,0,0|3,0,0]=4 111 B19R3.3863 Nc1ncnc2c1csc2c3ccc(cc3)S f055062c68e7a99bc91f6b497cc18849 [1,0,0,0,0,0|3,0,0]=4 112 B19R3.3863 Oc1ncnc2c1cnn2c3ccc(nc3)F cedb26f7d527b2c18b9db633d2583113 [1,0,0,0,0,0|3,0,0]=4 113 B21R3.329 COc1ccnc2c1ccn2c3ccc(cc3)C#N 28ef9ecfd11d32c6722570b883780b2d [0,1,0,0,0,0|3,0,0]=4 114 B21R3.329 COc1nccc2c1ccn2c3ccc(cc3)C#N 89309c63d71ffec8512e70ffc2871a38 [0,1,0,0,0,0|3,0,0]=4 115 B21R3.329 COc1nccc2c1cnn2c3ccc(cc3)C#N c22c6175618670e52e21c6097e156baa [0,1,0,0,0,0|2,0,0]=3 116 B21R3.329 COc1nccc2c1cnn2c3ccc(cn3)C#N cb1ef2121050dafd6d13c544bde6314f [0,1,0,0,0,0|3,0,0]=4 117 B21R3.329 COc1nccc2c1cnn2c3ccc(nc3)C#N 039bf0d82be0979eb9961ca5248b8e0d [0,1,0,0,0,0|3,0,0]=4 118 B21R3.329 COc1ncnc2c1cnn2c3ccc(nc3)C#N d77d9e5f9d901417132110af8897507d [0,1,0,0,0,0|2,0,0]=3 119 B21R3.329 COc1ncnc2c1cnn2c3ccc(nn3)C#N 514ad49d1d5d752549445186a220826c [0,1,0,0,0,0|3,0,0]=4 120 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2ccnc3C=O 301a06ae5a5237d84467e1f75617b06e [0,1,0,0,0,0|3,0,0]=4 121 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2ccnc3CO 020c488cdb268f8b79885d82e8fbb5e7 [0,1,0,0,0,0|3,0,0]=4 122 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2nccc3C#N 0f4e8cfa102fc8c3db5cff01e77f35fa [0,1,0,0,0,0|2,0,1]=4 123 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2nccc3C=O a1415eb6b9d841c9755fc1c1917a8473 [0,1,0,0,0,0|3,0,0]=4 124 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2nccc3CO 8ab4311b3c95624824b6e6506f7ba629 [0,1,0,0,0,0|3,0,0]=4 125 B21R3.329 N#Cc1ccc(cc1)n2ccc3c2ncnc3C=O b87b9da200bab8a3d77a4f95f7bc8a1a [0,1,0,0,0,0|2,0,0]=3 126 B21R3.329 N#Cc1ccc(cc1)n2ncc3c2cccc3C=O 49e576197a35fb91a6cdf335b9627b0e [0,1,0,0,0,0|3,0,0]=4 127 B21R3.329 N#Cc1ccc(cc1)n2ncc3c2cccc3CBr 7fbb48be1135884e1b773263e899ceb6 [0,1,0,0,0,0|3,0,0]=4 128 B21R3.329 N#Cc1ccc(cc1)n2ncc3c2cccc3CCl c566030045f7e353954fa2e565934db4 [0,1,0,0,0,0|3,0,0]=4 129 B21R3.329 N#Cc1ccc(cc1)n2ncc3c2cccc3CO baeb7b907d73963048fdbdf8bad93012 [0,1,0,0,0,0|3,0,0]=4 130 B21R3.329 N#Cc1ccc(cc1)n2ncc3c2nccc3C#N 13d51000c2d235fffb3e278e89b25020 [0,1,0,0,0,0|1,0,1]=3 131 B21R3.329 N#Cc1ccc(cn1)n2ccc3c2ncnc3C=O 7835397bfcb6f8c900215c2072161be7 [0,1,0,0,0,0|3,0,0]=4 132 B21R3.329 N#Cc1ccc(cn1)n2ccc3c2ncnc3CO a2cbcb44f4d8bc3fedb4750532381278 [0,1,0,0,0,0|3,0,0]=4 133 B21R3.329 N#Cc1ccc(cn1)n2ncc3c2nccc3C#N cfe2d0b99dc4ca3a523389be56fbf440 [0,1,0,0,0,0|2,0,1]=4 134 B21R3.329 N#Cc1ccc(nc1)n2ccc3c2ncnc3C=O 38f5367b638e8e644d0d10abd826d97c [0,1,0,0,0,0|3,0,0]=4 135 B21R3.2901 CC#Cc1ccc(cc1)c2scc3c2ncnc3N b33a312ad3f08d65305d9ceb0ab76110 [0,1,0,0,0,0|3,0,0]=4 136 B21R3.2901 CC#Cc1ccc(cc1)n2ncc3c2ccnc3C e556b5cde11d765cb4f7a88ec3569cf8 [0,1,0,0,0,0|3,0,0]=4 137 B21R3.2901 COCc1ccc(cc1)n2ncc3c2ncnc3O 6907815e855e8fa9bb873db6c5ad0d92 [0,1,0,0,0,0|2,0,1]=4 138 B21R3.2901 Cc1nccc2c1cnn2c3ccc(cc3)C#CI ea7deeddda5f9b2ebbfcd6b53577c262 [0,1,0,0,0,0|3,0,0]=4 139 B21R3.2901 N#CCc1ccc(cc1)c2c[nH]c3c2ncnc3N e809eeb9ec2f23bf355a57eb8a4bd732 [0,1,0,0,0,0|3,0,0]=4 140 B21R3.2901 N#CCc1ccc(cc1)c2ccc3n2ncnc3N a32fa37adc0e18dc0254c2f4dc939bf8 [0,1,0,0,0,0|3,0,0]=4 141 B21R3.2901 N#CCc1ccc(cc1)c2ccn3c2ncnc3N c70200202f74987babc31aeddae8cc82 [0,1,0,0,0,0|3,0,0]=4 142 B21R3.2901 N#CCc1ccc(cc1)c2csc3c2ncnc3N 0d8c80e6dbf870466778cb1002dd411b [0,1,0,0,0,0|3,0,0]=4 143 B21R3.2901 N#CCc1ccc(cc1)c2scc3c2ncnc3N f021ed4a312616cd05e3e2487fe73918 [0,1,0,0,0,0|2,0,0]=3 144 B21R3.2901 N#CCc1ccc(cn1)c2scc3c2ncnc3N 96e8a5d24d9ae2fbc7ac8715363c14e0 [0,1,0,0,0,0|3,0,0]=4 145 B21R3.2901 Oc1ccnc2c1cnn2c3ccc(cc3)C#CI 0edabcb2ece7a56b146bb12e77f98881 [0,1,0,0,0,0|3,0,0]=4 146 B21R3.10198 COc1ccc(cc1)n2nc(c3c2ncnc3O)C 2c430d7c9c5434d7c99c7f30d38d06b6 [0,1,0,0,0,0|3,0,0]=4 147 B21R3.10198 Cc1nn(c2c1c(ncn2)O)c3ccc(nn3)C#N b1e90735e6fd4d3956ebe26d6917d8ea [0,1,0,0,0,0|3,0,0]=4 148 B21R3.10198 Cn1nc(c2c1c(ncn2)O)c3ccc(cc3)C#N 7c7bb4544dbdda6286d7e5a255b9e9d2 [0,1,0,0,0,0|3,0,0]=4 149 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2cccc3Cl)Br 522326730a8dbe0d668fbb3cc038b069 [0,1,0,0,0,0|3,0,0]=4 150 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2ccnc3Cl)Br 977c410d53be2f3e59a05a433cdafd36 [0,1,0,0,0,0|2,0,0]=3 151 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2ccnc3Cl)I 674d1353dc88f724daff0fecd2a052f3 [0,1,0,0,0,0|2,0,0]=3 152 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2nccc3Br)Cl 84fb99228c1edb01d9e825d8df0c2aac [0,1,0,0,0,0|2,0,0]=3 153 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2nccc3Cl)Br f6de9a2c24a824a881ce0717d66048d0 [0,1,0,0,0,0|2,0,0]=3 154 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2nccc3Cl)I 849f2a612c3581d4180f301f8e7d36af [0,1,0,0,0,0|2,0,0]=3 155 B21R3.10198 N#Cc1ccc(cc1)n2nc(c3c2nccc3I)Br bd9f1575e14f6b5a37ef7cac5e75ec81 [0,1,0,0,0,0|2,0,0]=3 156 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2ccnc3Br)Br d6d69b79378652c25bf6b4c71ae1c71b [0,1,0,0,0,0|3,0,0]=4 157 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2ccnc3Br)I 8122b4caef70bc46810522ee5a01693d [0,1,0,0,0,0|3,0,0]=4 158 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2ccnc3Cl)Br 7c7b7b7dd5025e006cf3d3898c9d08e1 [0,1,0,0,0,0|3,0,0]=4 159 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2ccnc3Cl)I 68e197f3fa38542725be9c45c2dec16e [0,1,0,0,0,0|3,0,0]=4 160 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2nccc3Br)Cl 9cf4ea05754905f85322901090897ae8 [0,1,0,0,0,0|3,0,0]=4 161 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2nccc3Cl)Br 7b91ac2b78289523ee9eab39f45b0c5f [0,1,0,0,0,0|3,0,0]=4 162 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2nccc3Cl)I e7150509427d40d2fb8e60d0ac5c95d0 [0,1,0,0,0,0|3,0,0]=4 163 B21R3.10198 N#Cc1ccc(cn1)n2nc(c3c2nccc3I)Br 2d758b3ad3dcf222929b4e8b4a1a7a6a [0,1,0,0,0,0|3,0,0]=4 164 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2ccnc3Br)Br 15d9a10488efc550fa9d785eef8d6f66 [0,1,0,0,0,0|3,0,0]=4 165 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2ccnc3Br)I 3fa2a84598daf43903a538986f48a532 [0,1,0,0,0,0|3,0,0]=4 166 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2ccnc3Cl)Br 5dde8ba097df07c27c1c905d4dd093dc [0,1,0,0,0,0|3,0,0]=4 167 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2ccnc3Cl)I 250eb0f120db311c9be0418986dcc62e [0,1,0,0,0,0|3,0,0]=4 168 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2nccc3Br)Cl fd977b5d5574ac502cf50fa89de444e6 [0,1,0,0,0,0|3,0,0]=4 169 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2nccc3Cl)Br 416993c151df026f54cc223f703539da [0,1,0,0,0,0|3,0,0]=4 170 B21R3.10198 N#Cc1ccc(nc1)n2nc(c3c2nccc3I)Br e4691e18baddf4294b648660920297a9 [0,1,0,0,0,0|3,0,0]=4 171 B21R3.10198 N#Cc1ccc(nn1)n2nc(c3c2ncnc3Cl)I 9d0d859ce919ad6618377cfc33adf3aa [0,1,0,0,0,0|3,0,0]=4 172 B21R3.10610 Cc1cc2c(ccnc2n1c3ccc(cc3)C#N)F 68cf6cc715f6bfc7d87668ae99fe9233 [0,1,0,0,0,0|3,0,0]=4 173 B21R3.10610 Cc1cc2c(ncnc2n1c3ccc(cc3)C#N)O fade795d30406a83c52505a826724c32 [0,1,0,0,0,0|2,0,0]=3 174 B21R3.10610 Cc1cc2c(ncnc2n1c3ccc(nc3)C#N)O a665b155a28caa65d55a7c3c85ab53e5 [0,1,0,0,0,0|3,0,0]=4 175 B21R3.10610 N#Cc1ccc(cc1)n2c(cc3c2ccnc3Cl)Br 17c818693512b6f66c9528e203563390 [0,1,0,0,0,0|3,0,0]=4 176 B21R3.10772 Cc1cc(c2cnn(c2n1)c3ccc(nc3)C#N)O eec7abbecbf70b058ab3c1749ad6dc55 [0,1,0,0,0,0|3,0,0]=4 177 B21R3.10772 Cc1cc2c(ccn2c3ccc(cc3)C#N)c(n1)O 6c9616b0fa166c922805cd891a3a402d [0,1,0,0,0,0|3,0,0]=4 178 B21R3.10772 N#Cc1ccc(cc1)c2ccc3n2nc(nc3N)F 781d558c8c2cf840cdd6d38558d6db0e [0,1,0,0,0,0|3,0,0]=4 179 B21R3.10772 N#Cc1ccc(cc1)n2ccc3c2cc(nc3Br)Br 948a51413e0b6804b2a51c9d16a8934f [0,1,0,0,0,0|3,0,0]=4 180 B21R3.10772 N#Cc1ccc(cc1)n2ccc3c2cc(nc3Cl)Cl 7138d7abb9a58aaf04f1886348e8923c [0,1,0,0,0,0|3,0,0]=4 181 B21R3.10772 N#Cc1ccc(cc1)n2ccc3c2nc(cc3Br)Br 4268afc444fee2d017f694fb979d390c [0,1,0,0,0,0|3,0,0]=4 182 B21R3.10772 N#Cc1ccc(cc1)n2ccc3c2nc(cc3Br)Cl 215a4fc923e5710649cc75b2ca7803d8 [0,1,0,0,0,0|3,0,0]=4 183 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Br)Br fa0f8652e69135cb1da442bada84b4c2 [0,1,0,0,0,0|3,0,0]=4 184 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Br)Cl a9c5b462500c93279d993c9dfbc4be9e [0,1,0,0,0,0|3,0,0]=4 185 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Br)I b87310171826e3474a3b091e931445c0 [0,1,0,0,0,0|3,0,0]=4 186 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Cl)Br 775f835a3d58f7fb3c7cbb692a7e2cf6 [0,1,0,0,0,0|3,0,0]=4 187 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Cl)Cl 9a43a17202091053f2b556ee54adf776 [0,1,0,0,0,0|3,0,0]=4 188 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3Cl)I 6edecd08e9e1d5902ae71808ef896a2f [0,1,0,0,0,0|3,0,0]=4 189 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3F)F b83a005a6300d06651b016f0e5c86a39 [0,1,0,0,0,0|3,0,0]=4 190 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3F)O 281dfc9d2e309afe347b32911ba90acf [0,1,0,0,0,0|3,0,0]=4 191 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3I)Br ee06b34bbe8c93e4205fc89cb9b0021d [0,1,0,0,0,0|3,0,0]=4 192 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(cc3I)Cl fb818fc879bc27f600aa5d7a0ac20f81 [0,1,0,0,0,0|3,0,0]=4 193 B21R3.10772 N#Cc1ccc(cc1)n2ncc3c2cc(nc3Cl)Cl ef7ff4097a6dd975790d6b08f1ca4190 [0,1,0,0,0,0|2,0,0]=3 194 B21R3.10772 N#Cc1ccc(cc1)n2nnc3c2cc(nc3Cl)Cl c4c066388f818ad789fde51c200f535b [0,1,0,0,0,0|3,0,0]=4 195 B21R3.10772 N#Cc1ccc(cn1)n2ncc3c2cc(nc3Cl)Cl e66f42055217292896c28d373732f98d [0,1,0,0,0,0|3,0,0]=4 196 B21R3.10772 N#Cc1ccc(cn1)n2ncc3c2nc(cc3Cl)Cl 726e1b0f3305a028e1b02005efa54d44 [0,1,0,0,0,0|3,0,0]=4 197 B21R3.10772 N#Cc1ccc(cn1)n2ncc3c2nc(nc3Cl)Cl a77696bc6deeae84a72447db8023f657 [0,1,0,0,0,0|2,0,0]=3 198 B21R3.10772 N#Cc1ccc(nn1)n2ncc3c2nc(nc3Cl)Cl c38bb93ff8fe14f137320730f4ff5f9b [0,1,0,0,0,0|3,0,0]=4 199 B21R3.50387 CSc1ccc(cc1F)n2ncc3c2ncnc3O 5c9030dba9c825500e3fdc6bb990fed9 [0,1,0,0,0,0|3,0,0]=4 200 B21R3.50387 Cc1cc(ccc1C#N)c2c[nH]c3c2ncnc3N de5d59aafb7f68f1c99fae110907f661 [0,1,0,0,0,0|3,0,0]=4 201 B21R3.50387 Cc1cc(ccc1C#N)c2ccc3n2ncnc3N 3ec2600afe4114a3578a394f17719cf6 [0,1,0,0,0,0|3,0,0]=4 202 B21R3.50387 Cc1cc(ccc1C#N)c2ccn3c2ncnc3N 3d0a97407084ab04e702a39f7d3cd8fc [0,1,0,0,0,0|3,0,0]=4 203 B21R3.50387 Cc1cc(ccc1C#N)c2csc3c2ncnc3N 561e3ac1d30e8e80e87e876a58c7b591 [0,1,0,0,0,0|3,0,0]=4 204 B21R3.50387 Cc1cc(ccc1C#N)c2scc3c2ncnc3N 3b8a0df4fc85a8fc44961456f69b1ad3 [0,1,0,0,0,0|2,0,0]=3 205 B21R3.50387 Cc1cc(ccc1C#N)n2ccc3c2ccnc3O 28b7a270c07ad86c95f24784091e89e5 [0,1,0,0,0,0|3,0,0]=4 206 B21R3.50387 Cc1cc(ccc1C#N)n2ccc3c2nccc3C 68eeac3cf74e8ba8eda2e1bb04142934 [0,1,0,0,0,0|3,0,0]=4 207 B21R3.50387 Cc1cc(ccc1C#N)n2ccc3c2nccc3F 00813a1ec900009f58d812082d1d2a45 [0,1,0,0,0,0|3,0,0]=4 208 B21R3.50387 Cc1cc(ccc1C#N)n2ccc3c2nccc3O fb72318bf4835bef6fd33c95e9d33884 [0,1,0,0,0,0|3,0,0]=4 209 B21R3.50387 Cc1cc(ccc1C#N)n2ncc3c2cccc3C a0d0c9965b9b2ff9ba058dc2cfb782bf [0,1,0,0,0,0|3,0,0]=4 210 B21R3.50387 Cc1cc(ccc1C#N)n2ncc3c2cccc3O 0a044408a5e2983672de5f23e9994789 [0,1,0,0,0,0|3,0,0]=4 211 B21R3.50387 Cc1cc(ccc1C#N)n2ncc3c2ccnc3C 898e108bb613f2eff6de8c66758248a7 [0,1,0,0,0,0|2,0,0]=3 212 B21R3.50387 Cc1cc(ccc1C#N)n2ncc3c2nccc3C 2cdcaeba5a060c31c501f58b94366872 [0,1,0,0,0,0|2,0,0]=3 213 B21R3.50387 Cc1cc(ccc1CO)n2ncc3c2ncnc3O d2777bb6dc21494190f10d847e503d55 [0,1,0,0,0,0|2,0,1]=4 214 B21R3.50387 Cc1cc(cnc1C#N)c2scc3c2ncnc3N 16745c60334a7085af53dd063b364905 [0,1,0,0,0,0|3,0,0]=4 215 B21R3.50387 Cc1cc(cnc1C#N)n2ncc3c2ccnc3C 14c8718af3309bd69d3f42ae51bd0baa [0,1,0,0,0,0|3,0,0]=4 216 B21R3.50387 Cc1cccc2c1cnn2c3ccc(c(c3)F)C#N 8eaf6c028a070cbb2baf9f45a76d3d92 [0,1,0,0,0,0|3,0,0]=4 217 B21R3.50387 Cc1ccnc2c1ccn2c3ccc(c(c3)F)C#N 2aa6d197c9185ece174c9da7b9b7c0dd [0,1,0,0,0,0|3,0,0]=4 218 B21R3.50387 Cc1ccnc2c1cnn2c3ccc(c(c3)F)C#N d1761b97c76e56b8e0d43a4f24fe9203 [0,1,0,0,0,0|2,0,0]=3 219 B21R3.50387 Cc1nccc2c1cnn2c3cc(c(cn3)C#N)F 5c9e40e8534ca2565ae8ef40317dc074 [0,1,0,0,0,0|3,0,0]=4 220 B21R3.50387 Cc1nccc2c1cnn2c3ccc(c(c3)F)C#N d7fe10b1dfb372145c0481d85024c6fa [0,1,0,0,0,0|2,0,0]=3 221 B21R3.50387 N#Cc1ccc(cc1Br)c2c[nH]c3c2ncnc3N a862b4303a1a41b5c758187693515f0d [0,1,0,0,0,0|3,0,0]=4 222 B21R3.50387 N#Cc1ccc(cc1Br)c2ccc3n2ncnc3N 8e0a54fb3ca82dbf611c550a3e4d5fe0 [0,1,0,0,0,0|3,0,0]=4 223 B21R3.50387 N#Cc1ccc(cc1Br)c2ccn3c2ncnc3N 058dd7cc2f37b58b639f5ec44af30f0a [0,1,0,0,0,0|3,0,0]=4 224 B21R3.50387 N#Cc1ccc(cc1Br)c2csc3c2ncnc3N 614f8240a3598db754d9f682485c07c5 [0,1,0,0,0,0|3,0,0]=4 225 B21R3.50387 N#Cc1ccc(cc1Br)c2scc3c2ncnc3N 31474f404e55a5ce82b4651914437162 [0,1,0,0,0,0|2,0,0]=3 226 B21R3.50387 N#Cc1ccc(cc1Cl)c2c[nH]c3c2ncnc3N 4f279362aef95a401b5386ff65c27a73 [0,1,0,0,0,0|3,0,0]=4 227 B21R3.50387 N#Cc1ccc(cc1Cl)c2ccc3n2ncnc3N ab9e4a7a0afff4553735c0b2d6fc6f8f [0,1,0,0,0,0|3,0,0]=4 228 B21R3.50387 N#Cc1ccc(cc1Cl)c2ccn3c2ncnc3N 5d56a86e08a6d6e821e415f3e99237e0 [0,1,0,0,0,0|3,0,0]=4 229 B21R3.50387 N#Cc1ccc(cc1Cl)c2csc3c2ncnc3N a8f22660ebc98f4ae91ec48dfd8eb52e [0,1,0,0,0,0|3,0,0]=4 230 B21R3.50387 N#Cc1ccc(cc1Cl)c2scc3c2ncnc3N 625d964641e89786719902799f2a0bbe [0,1,0,0,0,0|2,0,0]=3 231 B21R3.50387 N#Cc1ccc(cc1F)c2c[nH]c3c2ncnc3N e70afa08887ffb855197379c48768557 [0,1,0,0,0,0|3,0,0]=4 232 B21R3.50387 N#Cc1ccc(cc1F)c2ccc3n2ncnc3N a9a569a4e1edfc71bfe4c3d520578c6c [0,1,0,0,0,0|3,0,0]=4 233 B21R3.50387 N#Cc1ccc(cc1F)c2ccn3c2ncnc3N 0b6d1d601db4c82e99f22ab2fd27abd6 [0,1,0,0,0,0|3,0,0]=4 234 B21R3.50387 N#Cc1ccc(cc1F)c2csc3c2ncnc3N 4b6538ea50421b3f18986c3f627783bd [0,1,0,0,0,0|3,0,0]=4 235 B21R3.50387 N#Cc1ccc(cc1F)c2scc3c2ncnc3N 0449e6d68e39e9cc944359666538096f [0,1,0,0,0,0|2,0,0]=3 236 B21R3.50387 N#Cc1ccc(cc1F)n2ccc3c2ccnc3O 92ee91a06be8446276b2c9bfe259db0d [0,1,0,0,0,0|3,0,0]=4 237 B21R3.50387 N#Cc1ccc(cc1F)n2ccc3c2nccc3F 1a233a52908c89f6d31c4e1315ec75ab [0,1,0,0,0,0|3,0,0]=4 238 B21R3.50387 N#Cc1ccc(cc1F)n2ncc3c2cccc3F b2c27bf3e0b3040dcc2332ea3c31ba97 [0,1,0,0,0,0|3,0,0]=4 239 B21R3.50387 N#Cc1ccc(cc1O)c2c[nH]c3c2ncnc3N 05a61c8076ae9c03216e633be2d15791 [0,1,0,0,0,0|3,0,0]=4 240 B21R3.50387 N#Cc1ccc(cc1O)c2ccc3n2ncnc3N 2094fece0f33c84e12244275d9ba8576 [0,1,0,0,0,0|3,0,0]=4 241 B21R3.50387 N#Cc1ccc(cc1O)c2ccn3c2ncnc3N b0cbd1bd0fa605f5eceb6e94b00c9235 [0,1,0,0,0,0|3,0,0]=4 242 B21R3.50387 N#Cc1ccc(cc1O)c2csc3c2ncnc3N 72bd317ef56541da781dfee3d406e9b4 [0,1,0,0,0,0|3,0,0]=4 243 B21R3.50387 N#Cc1ccc(cc1O)c2scc3c2ncnc3N dd47d29ac522c83f54638335128c3dfd [0,1,0,0,0,0|2,0,0]=3 244 B21R3.50387 N#Cc1ncc(cc1Cl)c2scc3c2ncnc3N e62a82e5fa2f2f8faea71fdbc2c9fe61 [0,1,0,0,0,0|3,0,0]=4 245 B21R3.50387 N#Cc1ncc(cc1F)c2scc3c2ncnc3N f2a3040096edcaea737385ef62ef8948 [0,1,0,0,0,0|3,0,0]=4 246 B21R3.50387 OCc1ccc(cc1F)n2ncc3c2ncnc3O e578003ceab3950162102f2182c38e9a [0,1,0,0,0,0|2,0,1]=4 247 B21R3.188734 Cc1c(ccc2c1cnn2c3ccc(cc3)C#N)F 331823435e565712b22cf3eee39144d6 [0,1,0,0,0,0|3,0,0]=4 248 B21R3.188734 Cc1c(cnc2c1ccn2c3ccc(cc3)C#N)F df76e3bd433366d7b7217618f0389d59 [0,1,0,0,0,0|3,0,0]=4 249 B21R3.188734 Cc1ccc2c(c1O)cnn2c3ccc(cc3)C#N 6b77228eaa8864747b72bdaa565e0a06 [0,1,0,0,0,0|3,0,0]=4 250 B21R3.188734 Cc1cnc2c(c1F)ccn2c3ccc(cc3)C#N 38812a25150a6015e958cb9cdde0ba9b [0,1,0,0,0,0|3,0,0]=4 251 B21R3.188734 N#Cc1ccc(cc1)n2ccc3c2ncc(c3Cl)I 6ad437dfce6cf37de547e505dac3f557 [0,1,0,0,0,0|3,0,0]=4 252 B21R3.188734 N#Cc1ccc(cc1)n2ccc3c2ncc(c3F)F 9c9d6dbe6fdcd9bd066914f1a902b41a [0,1,0,0,0,0|3,0,0]=4 253 B21R3.188734 N#Cc1ccc(cc1)n2ccc3c2ncc(c3O)F 9476b7410761564e918147a084f0b711 [0,1,0,0,0,0|3,0,0]=4 254 B21R3.188734 N#Cc1ccc(cc1)n2ncc3c2ccc(c3Br)Br 2c6acd363a7041ea378995ae31fbc8c7 [0,1,0,0,0,0|3,0,0]=4 255 B21R3.188734 N#Cc1ccc(cc1)n2ncc3c2ccc(c3Br)Cl a088b1130c71d841ae0be9b18ade8407 [0,1,0,0,0,0|3,0,0]=4 256 B21R3.188734 N#Cc1ccc(cc1)n2ncc3c2ccc(c3Cl)Cl 4bee155ef5bfd03e0497283dd8f2997b [0,1,0,0,0,0|3,0,0]=4 257 B21R3.188734 N#Cc1ccc(cc1)n2ncc3c2ccc(c3Cl)I 08da044c66043cc4d311f044838c5a24 [0,1,0,0,0,0|3,0,0]=4 258 B21R3.188734 N#Cc1ccc(cc1)n2ncc3c2ccc(c3F)O 88883e0a374a6d442aec5d9fe0c38f84 [0,1,0,0,0,0|3,0,0]=4 259 B21R3.393266 C=C(C)c1ccc(cc1)n2ncc3c2ncnc3O 8a8edd47909c5f1793877f6ac1d7fdd8 [0,1,0,0,0,0|2,0,1]=4 260 B21R3.393266 CC(=O)c1ccc(cc1)n2ncc3c2ncnc3O 4bbf39dce5074987323753c2e7b73c5c [0,1,0,0,0,0|2,0,1]=4 261 B21R3.393266 O=C(F)c1ccc(cc1)n2ncc3c2ncnc3O 79b44d27558e87cd3aaeb66ae95c18a4 [0,1,0,0,0,0|2,0,1]=4 262 B21R3.857699 Cc1cc(ccc1c2c[nH]c3c2ncnc3N)C#N 170ce49ad3bea3e77bfe30085c794d18 [0,1,0,0,0,0|3,0,0]=4 263 B21R3.857699 Cc1cc(ccc1c2ccc3n2ncnc3N)C#N 8db002e18af215851494fb98ed0dcbb6 [0,1,0,0,0,0|3,0,0]=4 264 B21R3.857699 Cc1cc(ccc1c2ccn3c2ncnc3N)C#N 0935269ebb889214dd74a9986eb89cf8 [0,1,0,0,0,0|3,0,0]=4 265 B21R3.857699 Cc1cc(ccc1c2scc3c2ncnc3N)C#N a8d832e3d9d05d46c01ff76fbb1257fe [0,1,0,0,0,0|2,0,0]=3 266 B21R3.857699 Cc1cc(ncc1c2scc3c2ncnc3N)C#N 8ce89aed9104019276453baf990f1114 [0,1,0,0,0,0|3,0,0]=4 267 B21R3.857699 Cc1nc(ccc1c2scc3c2ncnc3N)C#N a86629b190cc6527d42cb551762fffbf [0,1,0,0,0,0|3,0,0]=4 268 B21R3.857699 Cc1nc(cnc1n2ncc3c2ncnc3O)C#N 34ca43f514938e1ac3ee1b945a7434ff [0,1,0,0,0,0|3,0,0]=4 269 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2c[nH]c3c2ncnc3N 10c8ff050bcf6bd544f4069e917d1e4b [0,1,0,0,0,0|3,0,0]=4 270 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2ccc3n2ncnc3N 59403b2129e2dad70d2db226459b738d [0,1,0,0,0,0|3,0,0]=4 271 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2ccn3c2ncnc3N 8359fd40112bb4895f9e8460391b2945 [0,1,0,0,0,0|3,0,0]=4 272 B21R3.857699 N#Cc1ccc(c(c1)Cl)c2csc3c2ncnc3N 029ce8f354cc7b51ba2d6bb928ca8b76 [0,1,0,0,0,0|3,0,0]=4 273 B21R3.857699 N#Cc1ccc(c(c1)F)c2c[nH]c3c2ncnc3N 1f6ebb62dbc7ed299fcf146f9c125213 [0,1,0,0,0,0|3,0,0]=4 274 B21R3.857699 N#Cc1ccc(c(c1)F)c2ccc3n2ncnc3N d8e6689fae1a9530ae8b3a3578cc7c1c [0,1,0,0,0,0|3,0,0]=4 275 B21R3.857699 N#Cc1ccc(c(c1)F)c2ccn3c2ncnc3N 26789be60e4675b9dcbfd22dac60af48 [0,1,0,0,0,0|3,0,0]=4 276 B21R3.857699 N#Cc1ccc(c(c1)F)c2csc3c2ncnc3N 4ec02d52f63ce64682cb83e7349b757e [0,1,0,0,0,0|3,0,0]=4 277 B21R3.857699 N#Cc1ccc(c(c1)F)c2scc3c2ncnc3N c9abff4ab0d8b15a504aecde7f4d7470 [0,1,0,0,0,0|2,0,0]=3 278 B21R3.857699 N#Cc1ccc(c(c1)O)c2c[nH]c3c2ncnc3N b9733fe09b97321e7a23866438c72381 [0,1,0,0,0,0|3,0,0]=4 279 B21R3.857699 N#Cc1ccc(c(c1)O)c2ccc3n2ncnc3N 5f629a7f1704dd11a65a69ad044d811e [0,1,0,0,0,0|3,0,0]=4 280 B21R3.857699 N#Cc1ccc(c(c1)O)c2scc3c2ncnc3N 132838a292f0e4a3a25d3c3d82bf1bf9 [0,1,0,0,0,0|2,0,0]=3 281 B19R2.4905 C=Cc1c(ccnc1O)Nc2ccc(cc2)C#N b1aa699d71f9dd2f187a76b4b943a8f2 [0,0,1,0,0,0|3,0,0]=4 282 B19R2.4905 CNc1c(ccnc1Nc2ccc(cc2)C#N)N 3799c28b7ed30e330205dd8788367c98 [0,0,1,0,0,0|3,0,0]=4 283 B19R2.4905 Cc1ccnc(c1C=O)Nc2ccc(cc2)C#N 78c1b298cd343b67aed361712a24b02b [0,0,1,0,0,0|3,0,0]=4 284 B19R2.4905 N#Cc1ccc(cc1)Nc2ccnc(c2C=O)F edb0c9f0c424cf698c9f8e56953777b7 [0,0,1,0,0,0|3,0,0]=4 285 B19R2.4905 N#Cc1ccc(cc1)Nc2nccc(c2C=O)F edaaffa973e681a380782df1a92b4432 [0,0,1,0,0,0|3,0,0]=4 286 B19R2.5097 CN(c1ccc(nc1)C#N)c2ncnc(c2N)N e5f966dd2801833621b8911ae9599f99 [0,0,1,0,0,0|3,0,0]=4 287 B19R3.2603 Cc1ccnc2c1cnn2c3csc(c3)C#N 20403a02ee059649312b119a4bb37ade [0,0,0,0,1,0|3,0,0]=4 288 B19R3.2603 Cc1nccc2c1cnn2c3csc(c3)C#N 13a50949c6ab72f939bf9b920c06d90b [0,0,0,0,1,0|3,0,0]=4 289 B19R3.2603 Cc1ncnc2c1ccn2c3csc(c3)C#N 9b29ed08a5ac29f9a25926597fff54e0 [0,0,0,0,1,0|3,0,0]=4 290 B19R3.2603 N#Cc1cc(cs1)c2scc3c2ncnc3N db104aa4822c1dc6c31ed8b00c57f911 [0,0,0,0,1,0|3,0,0]=4 291 B19R3.2603 N#Cc1cc(cs1)n2ccc3c2ncnc3O aeb9f3eda5e765a7a4609d5a0fdfecbe [0,0,0,0,1,0|3,0,0]=4 292 B19R3.2603 N#Cc1cc(cs1)n2ncc3c2nccc3O 8db53ce439119ecb9d0cc75c027f10c5 [0,0,0,0,1,0|3,0,0]=4 293 B19R3.2603 N#Cc1cc(cs1)n2ncc3c2ncnc3O 70452e38dcc47503cec97d76fa0711cd [0,0,0,0,1,0|2,0,0]=3 294 B19R3.2603 N#Cc1ccc(o1)c2scc3c2ncnc3N 6aa4c5a74e853de4df3d79c7102a17e2 [0,0,0,0,1,0|3,0,0]=4 295 B19R3.2603 N#Cc1ccc(s1)c2scc3c2ncnc3N dae4129ea0f29e5669535b499cde1769 [0,0,0,0,1,0|3,0,0]=4 296 B19R3.2603 N#Cc1csc(c1)c2scc3c2ncnc3N 6e1ca39bd606a74bf2870c47ae11461e [0,0,0,0,1,0|3,0,0]=4 297 B19R3.4934 N#Cc1ccc(cc1)n2ncc3c2CCC3=O 3aa91ddf0ad7dcf34c0db56bbb767afe [0,0,0,0,1,0|2,0,1]=4 298 B21R3.9424 N#Cc1ccc(cc1)CN2CCc3c2ncnc3Cl e27c67d67165057f4adb53d14541d0e0 [0,0,0,0,0,1|2,0,1]=4 299 B21R3.10145 Cc1ncnc2c1cccc2c3ccc(cc3)C#N b5e35beb4a82778ed4fbdc3177abc361 [0,0,0,0,0,1|3,0,0]=4 300 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2ccnc3N d8caa127c7f969a0d45973bef162b1e3 [0,0,0,0,0,1|3,0,0]=4 301 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2nccc3N 04e19c136dfca7fe69f3c6da2617bdb2 [0,0,0,0,0,1|3,0,0]=4 302 B21R3.10145 N#Cc1ccc(cc1)c2cccc3c2ncnc3N e44028b5bc7aea7d801100142df68078 [0,0,0,0,0,1|2,0,0]=3 303 B21R3.10145 N#Cc1ccc(cc1)c2cncc3c2cccc3N 76d04e9e7840f16c1e59814546a813bc [0,0,0,0,0,1|3,0,0]=4 304 B21R3.10145 N#Cc1ccc(cc1)c2cncc3c2nc[nH]c3=O 920f4152baea7de09456de5afbecae9e [0,0,0,0,0,1|2,0,1]=4 305 B21R3.10145 N#Cc1ccc(cc1)c2nccc3c2cccc3N f75b2a7e68a3327131ed8039c9cdc7c7 [0,0,0,0,0,1|3,0,0]=4 306 B21R3.10145 N#Cc1ccc(cc1)c2nccc3c2nc[nH]c3=O a334e4fd90f2a1c8fd989bfd1897d055 [0,0,0,0,0,1|2,0,1]=4 307 B21R3.10145 N#Cc1ccc(cn1)c2cccc3c2ncnc3N 62fdb6d18a82b248a62e8cf550eb6a81 [0,0,0,0,0,1|3,0,0]=4 308 B21R3.10820 N#Cc1ccc(cc1)c2cc3ccnc(c3cn2)N 69d3af691b79cf8c3c2967a48a257d1b [0,0,0,0,0,1|2,0,0]=3 309 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ccnc3c2)N 7fd9d3303b8f88a44f32dda9e589b39c [0,0,0,0,0,1|3,0,0]=4 310 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(nccc3c2)N 368c4931ad52561edda737f559da522e [0,0,0,0,0,1|3,0,0]=4 311 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ncnc3c2)N 558dda618ba650dd86f0f99fd02de79a [0,0,0,0,0,1|2,0,0]=3 312 B21R3.10820 N#Cc1ccc(cc1)c2ccc3c(ncnc3n2)O 2cd62a2967d8b8b832e6cf7f56cb4d4e [0,0,0,0,0,1|3,0,0]=4 313 B21R3.10820 N#Cc1ccc(cc1)c2cnc3c(ncnc3c2)N f8a87c9d92928646e24463ad20522135 [0,0,0,0,0,1|3,0,0]=4 314 B21R3.10820 N#Cc1ccc(cn1)c2cc3ccnc(c3cn2)N 9fa1c7c1696b97421284c7d77e4bae5e [0,0,0,0,0,1|3,0,0]=4 315 B21R3.10820 N#Cc1ccc(cn1)c2ccc3c(ncnc3c2)N 9c9bda5a54719e035d7fa5689afbe881 [0,0,0,0,0,1|3,0,0]=4 316 B21R3.10820 N#Cc1ccc(nc1)c2ccc3c(ncnc3c2)N f847db623c3dd2b65793c359afea905d [0,0,0,0,0,1|3,0,0]=4 317 B18R2.101 C=Cc1cccnc1Nc2ccc(cc2)C#N fb11ea5ce8d7582c8f959657fd7f2db9 [1,0,1,0,0,0|2,0,0]=4 318 B18R2.101 N#Cc1ccc(cc1)Nc2ccncc2C=O 3e42063917794d3f2e1cb68ed90b2d34 [1,0,1,0,0,0|2,0,0]=4 319 B18R2.101 N#Cc1ccc(cc1)Nc2ncccc2C=O 32bb50893f6d838855a3c1274c9a555c [1,0,1,0,0,0|2,0,0]=4 320 B18R2.101 N#Cc1ccc(cc1)Nc2ncncc2C=O e24ff238415a18577a32841f5a31c0db [1,0,1,0,0,0|1,0,0]=3 321 B18R2.101 N#Cc1ccc(cn1)Nc2ncncc2C=O c5dafc9b6cbaff56b3eae25e63444fdf [1,0,1,0,0,0|2,0,0]=4 322 B18R2.101 N#Cc1ccc(nc1)Nc2ncncc2C=O 1b6bc20a20491ccaf8eb411f8a1c2814 [1,0,1,0,0,0|2,0,0]=4 323 B18R3.5867 Nc1ncnc2c1csc2c3ccccc3 bc74ed81c10bf88cd18bccb722c80ad7 [2,0,0,0,0,0|2,0,0]=4 324 B20R2.5713 N#Cc1ccc(cc1)Nc2nc(nc(c2C=O)Cl)Cl 5d0754c33441299cede8a700d6375757 [0,1,1,0,0,0|2,0,0]=4 325 B20R3.14 CC#Cc1ccc(cc1)n2ncc3c2ccnc3 d4242d68ac69c013aaf8d08bc5d4ca6f [1,1,0,0,0,0|2,0,0]=4 326 B20R3.14 IC#Cc1ccc(cc1)n2ncc3c2ccnc3 2971f276421cbad86134faff707b2862 [1,1,0,0,0,0|2,0,0]=4 327 B20R3.14 IC#Cc1ccc(cc1)n2ncc3c2nccc3 482c9a2a79d76882a7ea1d20a156aa81 [1,1,0,0,0,0|2,0,0]=4 328 B20R3.483 CC(=O)c1ccc(cc1)n2ncc3c2ncnc3 9769eb14c7bb022dbbed612747ca3e00 [1,1,0,0,0,0|1,0,1]=4 329 B20R3.1336 N#Cc1ccc(c(=O)[nH]1)n2ncc3c2nccc3 1610e6664130b5c8b126c4ff67caac3f [1,1,0,0,0,0|2,0,0]=4 330 B20R3.1336 N#Cc1cnc(c(c1)F)n2ncc3c2ccnc3 1fff64e1da1025f11a922f26addb0516 [1,1,0,0,0,0|2,0,0]=4 331 B20R3.2793 Cc1cc(ccc1C#N)n2ccc3c2ccnc3 fffe900496209f50d6f076592efceb28 [1,1,0,0,0,0|2,0,0]=4 332 B20R3.2793 Cc1cc(ccc1C#N)n2ccc3c2nccc3 13aa3cc6ed7bd289c23b5d00c882876b [1,1,0,0,0,0|2,0,0]=4 333 B20R3.2793 Cc1cc(ccc1C#N)n2ncc3c2ccnc3 f47dd2dbcdb0a02fd685d53508f1ca63 [1,1,0,0,0,0|1,0,0]=3 334 B20R3.2793 Cc1cc(ccc1C#N)n2ncc3c2nccn3 d1849c8ad034c5ad3616029516616d71 [1,1,0,0,0,0|2,0,0]=4 335 B20R3.2793 Cc1cc(cnc1C#N)n2ncc3c2ccnc3 a7af4da01803368f1b98ce36ac068079 [1,1,0,0,0,0|2,0,0]=4 336 B20R3.2793 FCc1ccc(cc1F)n2ncc3c2ncnc3 652c447363a4530da53f4fd83ed046ca [1,1,0,0,0,0|1,0,1]=4 337 B20R3.2793 N#Cc1ccc(cc1F)n2ncc3c2cccc3 e1631b27976806b1c842d66654d80a81 [1,1,0,0,0,0|2,0,0]=4 338 B20R3.2793 N#Cc1ccc(cc1F)n2ncc3c2ccnc3 d351554530ace7be25c669764cc7c8f2 [1,1,0,0,0,0|1,0,0]=3 339 B20R3.2793 N#Cc1ccc(cc1F)n2ncc3c2nccc3 88fd31bf6d2084b3ae954048fbff97e8 [1,1,0,0,0,0|1,0,0]=3 340 B20R3.2793 N#Cc1ccc(cc1F)n2ncc3c2nccn3 0b0e6ab21e20c30c1505caa7b3390547 [1,1,0,0,0,0|2,0,0]=4 341 B20R3.2793 N#Cc1ccc(cc1F)n2nnc3c2ccnc3 c4beb3b6f8765e85044d5396f4939032 [1,1,0,0,0,0|2,0,0]=4 342 B20R3.2793 N#Cc1cnc(cc1F)n2ncc3c2ccnc3 053f0a67ad1fb5ad2084a6f3de1a1656 [1,1,0,0,0,0|2,0,0]=4 343 B20R3.2793 N#Cc1cnc(cc1F)n2ncc3c2nccc3 4b8e3ea20668c30ee26041747c458d83 [1,1,0,0,0,0|2,0,0]=4 344 B20R3.2793 N#Cc1cnc(cc1F)n2ncc3c2ncnc3 587f59df8af4d65f2c8a28376b6daa4b [1,1,0,0,0,0|1,0,0]=3 345 B20R3.2793 OCc1ccc(cc1F)n2ncc3c2ncnc3 33d585f3e94178d1e26451b3437ecd4b [1,1,0,0,0,0|1,0,1]=4 346 B20R3.6844 COc1ccc(cc1)n2nc(c3c2ncnc3)C e1ca4cdefc4e4b6a05064f23a2bafef7 [1,1,0,0,0,0|2,0,0]=4 347 B20R3.6844 Cc1nn(c2c1cccn2)c3ccc(cc3)C#N d49e44e5b21fc071779aadabc41f1289 [1,1,0,0,0,0|1,0,0]=3 348 B20R3.6844 Cc1nn(c2c1cccn2)c3ccc(nc3)C#N fa54a2b23bf2486bb4fd9fda8b7112bc [1,1,0,0,0,0|2,0,0]=4 349 B20R3.6844 Cc1nn(c2c1cncc2)c3ccc(cc3)C#N a4c68b739bd9433db8ed9b01d6ae69f6 [1,1,0,0,0,0|1,0,0]=3 350 B20R3.6844 Cc1nn(c2c1cncc2)c3ccc(cn3)C#N 69f670f34d78e4e9aeea5e5b154780e2 [1,1,0,0,0,0|2,0,0]=4 351 B20R3.6844 Cc1nn(c2c1cncc2)c3ccc(nc3)C#N e3738108ed4062e3e93f89b804df7862 [1,1,0,0,0,0|2,0,0]=4 352 B20R3.6844 Cc1nn(c2c1cncn2)c3ccc(cn3)C#N dde014ad65ea8d42aaa8ffda3f818ec2 [1,1,0,0,0,0|1,0,0]=3 353 B20R3.6844 Cc1nn(c2c1cncn2)c3ccc(nc3)C#N 32d930f5658f335aa102fd31faf08a83 [1,1,0,0,0,0|1,0,0]=3 354 B20R3.6844 Cc1nn(c2c1cncn2)c3cnc(nc3)C#N 5457410991c92e5f575b348db3d98862 [1,1,0,0,0,0|2,0,0]=4 355 B20R3.6844 Cc1nn(c2c1nccn2)c3ccc(cc3)C#N e5016a2166008c7e9f370cb46dd3dc4f [1,1,0,0,0,0|2,0,0]=4 356 B20R3.6844 N#Cc1ccc(cc1)n2nc(c3c2ccnc3)O 3a607bb18ce06b030bbed6f2aa0eb613 [1,1,0,0,0,0|1,0,0]=3 357 B20R3.6844 N#Cc1ccc(cn1)n2nc(c3c2ccnc3)O eb1cd58a675f6dcb7ee75f6d89c3141a [1,1,0,0,0,0|2,0,0]=4 358 B20R3.6844 N#Cc1ccc(nc1)n2nc(c3c2ccnc3)O 44b9457f5943668c79375afec03ffd03 [1,1,0,0,0,0|2,0,0]=4 359 B20R3.7016 Cc1cc2cccnc2n1c3ccc(cc3)C#N c85c00d95eabdfba9fdecb16c1cf939e [1,1,0,0,0,0|2,0,0]=4 360 B20R3.7016 N#Cc1ccc(cc1)n2c(cc3c2nccc3)O 2f3988fcb7cc0f5a2a2a2609b8d4d8d3 [1,1,0,0,0,0|2,0,0]=4 361 B20R3.7200 Cc1ncc2ccn(c2n1)c3ccc(cn3)C#N a52d01477b41cef8bc63f2aeb9b5aa50 [1,1,0,0,0,0|2,0,0]=4 362 B20R3.7200 Cc1ncc2ccn(c2n1)c3ccc(nc3)C#N d2e42bb5bb96bde1e1cdcdfc53f84736 [1,1,0,0,0,0|2,0,0]=4 363 B20R3.7200 Cc1ncc2cnn(c2n1)c3ccc(nc3)C#N a7f00d4f9d596b13322ca4761bd9c2be [1,1,0,0,0,0|1,0,0]=3 364 B20R3.7200 Cc1ncc2cnn(c2n1)c3ccc(nn3)C#N 383118e147530dae1364bc64d8209d7e [1,1,0,0,0,0|2,0,0]=4 365 B20R3.7200 N#Cc1ccc(cc1)n2ncc3c2cc(cc3)O 7c43e44c6806f5596276a1d0dafdc01e [1,1,0,0,0,0|2,0,0]=4 366 B20R3.109397 Cc1cnc2c(c1)ccn2c3ccc(cc3)C#N b541b70d5b51a1a6ddb12ee1de24cbf1 [1,1,0,0,0,0|2,0,0]=4 367 B20R3.109397 Cc1cnc2c(c1)cnn2c3ccc(nc3)C#N eceff51a5d0c30a070a01200d1bbd52a [1,1,0,0,0,0|2,0,0]=4 368 B20R3.109397 N#Cc1ccc(cc1)n2ccc3c2ncc(c3)F c073a754d56d5e8a4f6150c2970f5c47 [1,1,0,0,0,0|2,0,0]=4 369 B20R3.109397 N#Cc1ccc(cc1)n2ccc3c2ncc(c3)O 8cad150f339bbed905d0296a57d015df [1,1,0,0,0,0|2,0,0]=4 370 B20R3.109397 N#Cc1ccc(cc1)n2ncc3c2ccc(c3)F 17ce6ab946b74fa332220428f9d1b86a [1,1,0,0,0,0|2,0,0]=4 371 B20R3.109397 N#Cc1ccc(cc1)n2ncc3c2ccc(c3)O 44564fbfe89bde7a653e7cfe6b0492ac [1,1,0,0,0,0|2,0,0]=4 372 B20R3.109397 N#Cc1ccc(cc1)n2ncc3c2ncc(c3)F 6a6a4cbaa29e48e7ad981a298abdfa50 [1,1,0,0,0,0|1,0,0]=3 373 B20R3.109397 N#Cc1ccc(cn1)n2ncc3c2ncc(c3)F f5ca0104df03628d0d0d2c2189523d72 [1,1,0,0,0,0|2,0,0]=4 374 B20R3.109397 N#Cc1ccc(cn1)n2ncc3c2ncc(c3)O cd697b55648f11cf85eadc87215b9efc [1,1,0,0,0,0|2,0,0]=4 375 B20R3.109397 N#Cc1ccc(nc1)n2ncc3c2ncc(c3)F 0431409a4a89115d353f544b05bb9b8a [1,1,0,0,0,0|2,0,0]=4 376 B20R3.248022 Cc1ccc(cc1F)n2ncc3c2ncnc3O 1af804b9aa4d18a045db1e3666a16869 [1,1,0,0,0,0|1,0,1]=4 377 B20R3.248022 Oc1ncnc2c1cnn2c3ccc(c(c3)F)F e494b6f6fd4b493f4a832674511a8dbd [1,1,0,0,0,0|2,0,0]=4 378 B20R3.3116 COc1ncnc2c1cnn2c3csc(c3)C#N 136966f082c252bccac9d2389ef67947 [0,1,0,0,1,0|2,0,0]=4 379 B20R3.16275 N#CCc1ccc(s1)n2ncc3c2ncnc3O 856adf077e09721ab90a1bbdd9ef1d70 [0,1,0,0,1,0|2,0,0]=4 380 B20R3.37480 Cc1nn(c2c1c(ncn2)O)c3csc(c3)C#N bc0830e0c52eba9bac812bb6a6b0ff7e [0,1,0,0,1,0|2,0,0]=4 381 B20R3.37480 N#Cc1cc(cs1)n2nc(c3c2ncnc3Cl)Br 110ba71e11964767f058c0b3aced9472 [0,1,0,0,1,0|2,0,0]=4 382 B20R3.37480 N#Cc1cc(cs1)n2nc(c3c2ncnc3Cl)I 5b688da6bcbd3a3ac09f73c117eed388 [0,1,0,0,1,0|2,0,0]=4 383 B20R3.38055 N#Cc1cc(cs1)n2ncc3c2nc(nc3Cl)Cl 317762e92b13a2acf6b89bdb6707d920 [0,1,0,0,1,0|2,0,0]=4 384 B20R3.7153 Cc1nn(c2c1cnn2c3ccc(cc3)C#N)C 3e1610b041224b81939c8fadd8019c9e [0,1,0,0,1,0|1,0,1]=4 385 B22R3.134261 Cc1cc(ccc1c2cccc3c2ncnc3N)C#N 72680f02b2b5f425d7cd7e6ec2d43828 [0,1,0,0,0,1|2,0,0]=4 386 B22R3.134261 N#Cc1ccc(c(c1)F)c2cccc3c2ncnc3N 1964f8d3d7505a3cb2154bc6fb2e6cdc [0,1,0,0,0,1|2,0,0]=4 387 B22R3.233456 N#CCc1ccc(cc1)c2cccc3c2ncnc3N d4f27b470726063b5f9990c51d462c94 [0,1,0,0,0,1|2,0,0]=4 388 B22R3.3710973 Cc1cc(ccc1C#N)c2cccc3c2ncnc3N 9075ba0f183a7fb1afa532a194faab24 [0,1,0,0,0,1|2,0,0]=4 389 B22R3.3710973 N#Cc1ccc(cc1Br)c2cccc3c2ncnc3N b5b354d26307cfced5ddefbc5b5d263a [0,1,0,0,0,1|2,0,0]=4 390 B22R3.3710973 N#Cc1ccc(cc1Cl)c2cccc3c2ncnc3N 2dd17c954ace35036e3cb24f5794a9b2 [0,1,0,0,0,1|2,0,0]=4 391 B22R3.3710973 N#Cc1ccc(cc1F)c2cccc3c2ncnc3N 8bf0dd7be0ec618e3f01246eee1d97b0 [0,1,0,0,0,1|2,0,0]=4 392 B22R3.3710973 N#Cc1ccc(cc1O)c2cccc3c2ncnc3N e5c5a86985c8b02111b9e08c93334c2b [0,1,0,0,0,1|2,0,0]=4 393 B22R3.68710 N#CCc1ccc(cc1)c2cc3ccnc(c3cn2)N 25ebeebc0eb7a692ac95cee1dc06ba29 [0,1,0,0,0,1|2,0,0]=4 394 B22R3.68710 N#CCc1ccc(cc1)c2ccc3c(ncnc3c2)N b021444f56d0993290d688432883e0b2 [0,1,0,0,0,1|2,0,0]=4 395 B22R3.303768 CNc1nccc2c1cnc(c2)c3ccc(cc3)C#N 48f30e43d4dfa2533be278605924bd9e [0,1,0,0,0,1|2,0,0]=4 396 B22R3.303788 N#Cc1ccc(cc1)c2ccc3c(nc(nc3c2)N)N cac651615192ae5b5200dfa89053c858 [0,1,0,0,0,1|2,0,0]=4 397 B22R3.1550433 Cc1cc(ccc1c2ccc3c(ncnc3c2)N)C#N 108a7497f1cd57fae99a04344403f937 [0,1,0,0,0,1|2,0,0]=4 398 B22R3.1550433 N#Cc1ccc(c(c1)Cl)c2ccc3c(ncnc3c2)N 2ccc06636f5b76b27c8ab3702ffbaac5 [0,1,0,0,0,1|2,0,0]=4 399 B22R3.1550433 N#Cc1ccc(c(c1)F)c2ccc3c(ncnc3c2)N b8e6d87dcf0e71371017ec350bb03218 [0,1,0,0,0,1|2,0,0]=4 400 B22R3.1550433 N#Cc1ccc(c(c1)O)c2ccc3c(ncnc3c2)N b509d6df9030e34ab7c9a2b289427b0d [0,1,0,0,0,1|2,0,0]=4 401 B22R3.3097934 Cc1cc(ccc1C#N)c2cc3ccnc(c3cn2)N 86a4fffbe227c868c07a529616b2c50f [0,1,0,0,0,1|2,0,0]=4 402 B22R3.3097934 Cc1cc(ccc1C#N)c2ccc3c(ncnc3c2)N cfa54e98351654741e6a3b3f1d4553bf [0,1,0,0,0,1|2,0,0]=4 403 B22R3.3097934 N#Cc1ccc(cc1Br)c2cc3ccnc(c3cn2)N 2ba96ca3a762629f3665aa5ef2066498 [0,1,0,0,0,1|2,0,0]=4 404 B22R3.3097934 N#Cc1ccc(cc1Br)c2ccc3c(ncnc3c2)N f3bdebabccda183ede7eb94e278fb02a [0,1,0,0,0,1|2,0,0]=4 405 B22R3.3097934 N#Cc1ccc(cc1Cl)c2cc3ccnc(c3cn2)N 5ae8435740f3ece787c6db8f2df9c59c [0,1,0,0,0,1|2,0,0]=4 406 B22R3.3097934 N#Cc1ccc(cc1Cl)c2ccc3c(ncnc3c2)N eadbd634422e50feeb81e829c84e0206 [0,1,0,0,0,1|2,0,0]=4 407 B22R3.3097934 N#Cc1ccc(cc1F)c2cc3ccnc(c3cn2)N 41e718fa602d8b9625da52be1ee2a5b0 [0,1,0,0,0,1|2,0,0]=4 408 B22R3.3097934 N#Cc1ccc(cc1F)c2ccc3c(ncnc3c2)N 3f541ae02496acd54ec7ddf65f1aa2aa [0,1,0,0,0,1|2,0,0]=4 409 B22R3.3097934 N#Cc1ccc(cc1O)c2cc3ccnc(c3cn2)N 68a4a765276c4e9d6ef198aff2193f5c [0,1,0,0,0,1|2,0,0]=4 410 B22R3.3097934 N#Cc1ccc(cc1O)c2ccc3c(ncnc3c2)N c021c68c0f8991d7afaf63eabc673289 [0,1,0,0,0,1|2,0,0]=4 411 B22R3.451 CN(C)c1ncnc2c1ncn2c3ccc(cc3)C#N f79077c11b4297ef594b29f9d5a6240a [0,2,0,0,0,0|2,0,0]=4 412 B22R3.451 N#Cc1ccc(cc1)n2ccc3c2ncnc3C(=O)O 5ac2bda99fb3ce6f2b5c2fdb5910622f [0,2,0,0,0,0|2,0,0]=4 413 B22R3.451 N#Cc1ccc(cc1)n2ncc3c2ccnc3C(=O)O b665b22d3a68ef29ecde7bfcfb0c8f6a [0,2,0,0,0,0|2,0,0]=4 414 B22R3.451 N#Cc1ccc(cc1)n2ncc3c2nccc3[N+](=O)[O-] 4626ba7681dca9339665e472f548bec3 [0,2,0,0,0,0|1,0,1]=4 415 B22R3.451 N#Cc1ccc(cc1)n2ncc3c2ncnc3C(=O)O 43cacea8f96f77d011d2cc0a7b1ff07e [0,2,0,0,0,0|1,0,0]=3 416 B22R3.451 N#Cc1ccc(cn1)n2ncc3c2ncnc3C(=O)O 53b3decbe33f3be38e4d3e7baddc58aa [0,2,0,0,0,0|2,0,0]=4 417 B22R3.511609 CCNc1ncnc2c1cnn2c3ccc(cc3)OC 11311134fed4d34decd5c0b8abf2c64d [0,2,0,0,0,0|2,0,0]=4 418 B22R3.511609 COc1ccc(cc1)n2ncc3c2ncnc3NCF e5bd607c16c0882885f105297d3a54d1 [0,2,0,0,0,0|2,0,0]=4 419 B22R3.511609 COc1ccc(cc1)n2ncc3c2ncnc3NCO 31a54e67668a2ca0dc3035f7037be0f0 [0,2,0,0,0,0|2,0,0]=4 420 B22R3.1139323 COc1nccc2c1cnn2c3ccc(c(c3)C)C#N 5916325c0bf65515f7dfbe7e88fa1145 [0,2,0,0,0,0|2,0,0]=4 421 B22R3.1139323 COc1nccc2c1cnn2c3ccc(c(c3)F)C#N 8b67d818eea0f26785274192664a4275 [0,2,0,0,0,0|2,0,0]=4 422 B22R3.1139323 Cc1cc(ccc1C#N)n2ccc3c2ncnc3C=O 76225de3e5de5d017dcc08d23cc37c35 [0,2,0,0,0,0|2,0,0]=4 423 B22R3.1139323 Cc1cc(ccc1C#N)n2ncc3c2nccc3C#N 79d8926098e664d245b9f10e3b220c34 [0,2,0,0,0,0|1,0,1]=4 424 B22R3.1139323 N#Cc1ccc(cc1F)n2ccc3c2ncnc3C=O 149a19c938541a29d527c0997a7740fe [0,2,0,0,0,0|2,0,0]=4 425 B22R3.1139323 N#Cc1ccc(cc1F)n2ncc3c2nccc3C#N 0ce5bee1ec6a3e8edb97d110935050dd [0,2,0,0,0,0|1,0,1]=4 426 B22R3.10158 Cc1ccnc2c1cnn2c3ccc(cc3)OCC#N 0854b8b5a45487eab57c8d3d495793cb [0,2,0,0,0,0|2,0,0]=4 427 B22R3.10158 Cc1ccnc2c1cnn2c3ccc(cc3)SCC#N 9afacfa26ef575fd72e7d6c523e90c2f [0,2,0,0,0,0|2,0,0]=4 428 B22R3.10158 Cc1nccc2c1cnn2c3ccc(cc3)OCC#N 1ab64737a0371e0961ad5a87f2dd43ea [0,2,0,0,0,0|2,0,0]=4 429 B22R3.10158 Cc1nccc2c1cnn2c3ccc(cc3)SCC#N 56b41d482ca7ad24c35b93a67bb9ce16 [0,2,0,0,0,0|2,0,0]=4 430 B22R3.10158 Cc1ncnc2c1ccn2c3ccc(cc3)SCC#N d84220f9aa9ae667dd154ce82d96f740 [0,2,0,0,0,0|2,0,0]=4 431 B22R3.10158 N#C/C=C/c1ccc(cc1)c2scc3c2ncnc3N 03d03a65ee6d3f72c6fbacee5f03cf59 [0,2,0,0,0,0|2,0,0]=4 432 B22R3.10158 N#CC=Cc1ccc(cc1)c2scc3c2ncnc3N 45f825bf2130d8ffbd01697f7dc7ab03 [0,2,0,0,0,0|2,0,0]=4 433 B22R3.10158 N#CCCc1ccc(cc1)c2scc3c2ncnc3N 735181e47cfd2a6ff474e3cae804753b [0,2,0,0,0,0|2,0,0]=4 434 B22R3.10158 N#CCOc1ccc(cc1)c2scc3c2ncnc3N a3d987fb22de298684e47c370e3a84df [0,2,0,0,0,0|2,0,0]=4 435 B22R3.10158 N#CCOc1ccc(cc1)n2ccc3c2ncnc3O 4a94d2c41211022d45cb6d73c2614f4e [0,2,0,0,0,0|2,0,0]=4 436 B22R3.10158 N#CCOc1ccc(cc1)n2ncc3c2nccc3O 6ed3b3ac5c68e83583886391368b4085 [0,2,0,0,0,0|2,0,0]=4 437 B22R3.10158 N#CCOc1ccc(cc1)n2ncc3c2ncnc3O 0a12075ada25ac5152bf9e597d4c17c3 [0,2,0,0,0,0|1,0,0]=3 438 B22R3.10158 N#CCSc1ccc(cc1)n2ccc3c2ncnc3O 7ee0648dba08a0b4dc3cb7a12a755568 [0,2,0,0,0,0|2,0,0]=4 439 B22R3.10158 N#CCSc1ccc(cc1)n2ncc3c2nccc3O 8011a6e134d6d583db5d2f0298399797 [0,2,0,0,0,0|2,0,0]=4 440 B22R3.10158 N#CCSc1ccc(cc1)n2ncc3c2ncnc3O f098d05a938c3217912178966ea863a2 [0,2,0,0,0,0|1,0,0]=3 441 B22R3.48050 CC(C#N)c1ccc(cc1)c2scc3c2ncnc3N deefb92ad8e04e9211836bf5853564c3 [0,2,0,0,0,0|2,0,0]=4 442 B22R3.48050 CN(C#N)c1ccc(cc1)n2ccc3c2ncnc3O 3dcc381e5eab8c0904325717636bc66c [0,2,0,0,0,0|2,0,0]=4 443 B22R3.48050 Cc1nccc2c1cnn2c3ccc(cc3)N(C)C#N ec87ad1532a22ad0af923cb78e0b7214 [0,2,0,0,0,0|2,0,0]=4 444 B22R3.48050 Cc1ncnc2c1ccn2c3ccc(cc3)N(C)C#N 19905acc827ebc9ac982445a87a6e4cb [0,2,0,0,0,0|2,0,0]=4 445 B22R3.234109 Cc1cc(ccc1CC#N)c2scc3c2ncnc3N fa2a046da433b570f4e4dbb821a3a66b [0,2,0,0,0,0|2,0,0]=4 446 B22R3.234109 N#CCc1ccc(c[n+]1[O-])n2ncc3c2ncnc3O d73d2d8e4d593011903534ad991cb783 [0,2,0,0,0,0|2,0,0]=4 447 B22R3.234109 N#CCc1ccc(cc1F)c2scc3c2ncnc3N 9c1ec9c4854ba7727de1b345e242896d [0,2,0,0,0,0|2,0,0]=4 448 B22R3.825995 N#CCc1ccc(c(c1)F)c2scc3c2ncnc3N 1ea41fd955d328d24faeaa70ff15d166 [0,2,0,0,0,0|2,0,0]=4 449 B22R3.294766 Cc1nc(c2c(nn(c2n1)c3ccc(nc3)C#N)Br)Cl 14e82bbf6d401b6b9108e06641609eb9 [0,2,0,0,0,0|2,0,0]=4 450 B22R3.294766 Cc1nn(c2c1c(nc(c2)Cl)Cl)c3ccc(cc3)C#N 069047cf279218c090e2381784f9d04d [0,2,0,0,0,0|2,0,0]=4 451 B22R3.294766 Cc1nn(c2c1c(nc(n2)Cl)Cl)c3ccc(cc3)C#N 86b7b64b13804f8649849f0d5f392757 [0,2,0,0,0,0|1,0,0]=3 452 B22R3.294766 Cc1nn(c2c1c(nc(n2)Cl)Cl)c3ccc(nc3)C#N f702bba88cdaf3f8f38db6d7eaaf1046 [0,2,0,0,0,0|2,0,0]=4 453 B22R3.294766 N#Cc1ccc(cc1)n2nc(c3c2cc(nc3Cl)Cl)I edd06a34bc0061ad82f08705d7d99e6e [0,2,0,0,0,0|2,0,0]=4 454 B22R3.294766 N#Cc1ccc(cc1)n2nc(c3c2nc(nc3Cl)Cl)Br 52b315e3e3d9592c053b84936854d7b2 [0,2,0,0,0,0|1,0,0]=3 455 B22R3.294766 N#Cc1ccc(cc1)n2nc(c3c2nc(nc3Cl)Cl)Cl d031acae058d8146a61767031d23fb6a [0,2,0,0,0,0|1,0,0]=3 456 B22R3.294766 N#Cc1ccc(cc1)n2nc(c3c2nc(nc3Cl)Cl)I 1f41b4739b24c6d94920d55fd3253afa [0,2,0,0,0,0|1,0,0]=3 457 B22R3.294766 N#Cc1ccc(cn1)n2nc(c3c2nc(nc3Cl)Cl)Br a708cb797844519cbcf3a08c26ae1a73 [0,2,0,0,0,0|2,0,0]=4 458 B22R3.294766 N#Cc1ccc(cn1)n2nc(c3c2nc(nc3Cl)Cl)Cl cb5a0c89eeb24466722fc572b4bacf3e [0,2,0,0,0,0|2,0,0]=4 459 B22R3.294766 N#Cc1ccc(cn1)n2nc(c3c2nc(nc3Cl)Cl)I e1c92251126216818d8c442fd44c80b8 [0,2,0,0,0,0|2,0,0]=4 460 B22R3.294766 N#Cc1ccc(nc1)n2nc(c3c2nc(nc3Cl)Cl)Br 48ae1d9777ad00f67fe17c810d1c5f75 [0,2,0,0,0,0|2,0,0]=4 461 B22R3.294766 N#Cc1ccc(nc1)n2nc(c3c2nc(nc3Cl)Cl)Cl a5f749d82b8ed2b6e0114dfb281d312f [0,2,0,0,0,0|2,0,0]=4 462 B22R3.294766 N#Cc1ccc(nc1)n2nc(c3c2nc(nc3Cl)Cl)I b632619bc26651279f4ad572b007d3de [0,2,0,0,0,0|2,0,0]=4 463 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2ccnc3Br)I ab977f2c2f6f96c9d8b5775becee24d9 [0,2,0,0,0,0|2,0,0]=4 464 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2ccnc3Cl)I db8479db5e53c2693beb6925f489c8a3 [0,2,0,0,0,0|2,0,0]=4 465 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2nccc3Br)Cl e9a5e56dff57747e2fc5cfda2d29e99b [0,2,0,0,0,0|2,0,0]=4 466 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2nccc3Cl)Br 74b579872b62fcf16c547f628028a730 [0,2,0,0,0,0|2,0,0]=4 467 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2nccc3Cl)I d795a908ae2159a03d712f6f0d662fbb [0,2,0,0,0,0|2,0,0]=4 468 B22R3.3097388 Cc1cc(ccc1C#N)n2nc(c3c2nccc3I)Br 3418be8da5ac81d2853ba8c771086696 [0,2,0,0,0,0|2,0,0]=4 469 B22R3.3097388 Cc1nn(c2c1c(ncn2)O)c3ccc(c(c3)F)C#N c652df282887133679c7622ddeb94279 [0,2,0,0,0,0|1,0,0]=3 470 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2ccnc3Br)Br 120c421d42df31a689ed4d2c35d1fa92 [0,2,0,0,0,0|2,0,0]=4 471 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2ccnc3Br)I 6d2de7a8dfa2f42991d825dfbaf74338 [0,2,0,0,0,0|2,0,0]=4 472 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2ccnc3Cl)Br fbbce95da3a3d8d07f053924c8631c89 [0,2,0,0,0,0|2,0,0]=4 473 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2ccnc3Cl)I 98164906d2ee9ed26861fce19d2543cd [0,2,0,0,0,0|2,0,0]=4 474 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2nccc3Br)Cl 9674b4911de6d39fa8b2262c2a167c55 [0,2,0,0,0,0|2,0,0]=4 475 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2nccc3Cl)Br aa85ecdd4c2b4ed2aeda401a480aeabd [0,2,0,0,0,0|2,0,0]=4 476 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2nccc3Cl)I 5c9d8f59c24b27a48745fa34bfffc0e7 [0,2,0,0,0,0|2,0,0]=4 477 B22R3.3097388 N#Cc1ccc(cc1F)n2nc(c3c2nccc3I)Br ce777c56d8364aed57c4d064f8b99ee2 [0,2,0,0,0,0|2,0,0]=4 478 B22R3.6096989 N#Cc1ccc(cc1)n2nc(c3c2ncc(c3Cl)Br)I e5c945ff9bac342da4addda5854e8bbe [0,2,0,0,0,0|2,0,0]=4 479 B22R3.16381 CSc1nc(c2ccn(c2n1)c3ccc(cc3)C#N)O 65efe980b98c8faa79da2faa7083eb67 [0,2,0,0,0,0|2,0,0]=4 480 B22R3.16381 CSc1nc(c2cnn(c2n1)c3ccc(cc3)C#N)O 8c40b892043e2f708daa0f40abe5f08d [0,2,0,0,0,0|1,0,0]=3 481 B22R3.16381 CSc1nc(c2cnn(c2n1)c3ccc(cn3)C#N)O ab5f4606fbcb0fd1f4c9510168233a8c [0,2,0,0,0,0|2,0,0]=4 482 B22R3.16381 CSc1nc(c2cnn(c2n1)c3ccc(nc3)C#N)C 76e8bde5058e8de7a5db48311a3030b7 [0,2,0,0,0,0|2,0,0]=4 483 B22R3.16381 CSc1nc(c2cnn(c2n1)c3ccc(nc3)C#N)O 9b4c8a4fb775b56593f27d39e0dbeebe [0,2,0,0,0,0|2,0,0]=4 484 B22R3.1550385 N#Cc1cnc(c(c1)F)n2ncc3c2nc(nc3Cl)Cl b6b6d4f3d2cfadf9340f53033d926c2c [0,2,0,0,0,0|2,0,0]=4 485 B22R3.1550385 N#Cc1cnc(c(c1)O)n2ncc3c2nc(nc3Cl)Cl c909e57e1a26ac34d276dbc920aa924e [0,2,0,0,0,0|2,0,0]=4 486 B22R3.3097887 N#Cc1ccc(cc1F)n2ccc3c2nc(nc3Cl)Cl 085ef51854d9fe5ecf64dcb72be14638 [0,2,0,0,0,0|2,0,0]=4 487 B22R3.3097887 N#Cc1ccc(cc1F)n2ncc3c2cc(nc3Cl)Cl bee74f4a9192702e609282d22ec56a55 [0,2,0,0,0,0|2,0,0]=4 488 B22R3.3097887 N#Cc1ccc(cc1F)n2ncc3c2nc(cc3Cl)Cl e4b926e3efd37ac54f2dc96bba3ecea9 [0,2,0,0,0,0|2,0,0]=4 489 B22R3.3097887 N#Cc1ccc(cc1F)n2ncc3c2nc(nc3Cl)Cl 59009263c9dd97f5f23679239fced628 [0,2,0,0,0,0|1,0,0]=3 490 B22R3.3097944 N#Cc1ccc(cc1F)n2ncc3c2c(cnc3Cl)Br b6cd64382de841cb2aac58288ba6ef23 [0,2,0,0,0,0|2,0,0]=4 491 B22R3.77936 CCc1cc(ccc1C#N)c2scc3c2ncnc3N 06c5a09b7fd542155dcc8c8feac88dc1 [0,2,0,0,0,0|2,0,0]=4 492 B22R3.77936 CCc1cc(ccc1C#N)n2ccc3c2ncnc3C b5ca19fb288d22e90c9cb1bedcd2fff0 [0,2,0,0,0,0|2,0,0]=4 493 B22R3.77936 CCc1cc(ccc1C#N)n2ccc3c2ncnc3O 28522923c1933b377bc178f90229b7f1 [0,2,0,0,0,0|2,0,0]=4 494 B22R3.77936 CCc1cc(ccc1C#N)n2ncc3c2ccnc3C 2362e1a3a888a2ddc756fb73c847f8fb [0,2,0,0,0,0|2,0,0]=4 495 B22R3.77936 CCc1cc(ccc1C#N)n2ncc3c2nccc3C 0356a7ed5134abf038cfaf8af69a5fb2 [0,2,0,0,0,0|2,0,0]=4 496 B22R3.77936 COc1cc(ccc1C#N)c2scc3c2ncnc3N a182579990e05285d04e6e2f1089346b [0,2,0,0,0,0|2,0,0]=4 497 B22R3.77936 N#Cc1ccc(cc1C#N)c2scc3c2ncnc3N a137bac05aa0c1bd9a61f94f9d1eeac4 [0,2,0,0,0,0|2,0,0]=4 498 B22R3.77936 N#Cc1ccc(cc1C=O)c2scc3c2ncnc3N a8b360a04558d3610839b2a71d6e45d8 [0,2,0,0,0,0|2,0,0]=4 499 B22R3.1324358 Cc1cc(c(cc1C#N)F)c2scc3c2ncnc3N 6572ef46160fbbf652a7a87ca9cd50ad [0,2,0,0,0,0|2,0,0]=4 500 B22R3.1324358 N#Cc1cc(c(cc1Br)c2scc3c2ncnc3N)F 5ebfd0218f2ce04040c431ea0b01f6db [0,2,0,0,0,0|2,0,0]=4 501 B22R3.1324358 N#Cc1cc(c(cc1Cl)c2scc3c2ncnc3N)F 669dd8cebb675ceae99a36887723dc8a [0,2,0,0,0,0|2,0,0]=4 502 B22R3.1344203 Cc1c(ccc(c1F)C#N)c2scc3c2ncnc3N be26bb59a4777c8511b301c5e5cd7847 [0,2,0,0,0,0|2,0,0]=4 503 B22R3.1344203 Cc1c(ccc(c1F)C#N)n2ncc3c2ccnc3C 255848fb00c8316427c3cd5ee2ce5acf [0,2,0,0,0,0|2,0,0]=4 504 B22R3.1344203 Cc1c(ccc(c1F)C#N)n2ncc3c2nccc3O 075063613e7471e10867474d5e47c1c0 [0,2,0,0,0,0|2,0,0]=4 505 B22R3.1344203 Cc1nccc2c1cnn2c3ccc(c(c3F)F)C#N c2bb9919aefa5f33bd08597d3dfca36d [0,2,0,0,0,0|2,0,0]=4 506 B22R3.1344203 N#Cc1ccc(c(c1Cl)Cl)c2scc3c2ncnc3N ab38cf2da5fd04b9c200aa2aca586621 [0,2,0,0,0,0|2,0,0]=4 507 B22R3.1344203 N#Cc1ccc(c(c1Cl)F)c2scc3c2ncnc3N 95e76d921fb94b7a7f21c586b76fa162 [0,2,0,0,0,0|2,0,0]=4 508 B22R3.1344203 N#Cc1ccc(c(c1F)F)c2scc3c2ncnc3N 2345904ec4ab3306f1f2465dc10378db [0,2,0,0,0,0|2,0,0]=4 509 B22R3.5041625 Cc1cc(cc(c1C#N)C)c2scc3c2ncnc3N f70754e68d518586dfbde5a7288ff8eb [0,2,0,0,0,0|2,0,0]=4 510 B22R3.5041625 Cc1ccnc2c1cnn2c3cc(c(c(c3)F)C#N)F 004317c10c27ef3bf77c63bff0c249b1 [0,2,0,0,0,0|2,0,0]=4 511 B22R3.5041625 Cc1nccc2c1cnn2c3cc(c(c(c3)F)C#N)F e2ddea6e48038ff4dacf5a0827c06cab [0,2,0,0,0,0|2,0,0]=4 512 B22R3.5041625 N#Cc1c(cc(cc1Cl)c2scc3c2ncnc3N)Cl 11fd5fcc49cad4f8769faff14eae0051 [0,2,0,0,0,0|2,0,0]=4 513 B22R3.5041625 N#Cc1c(cc(cc1F)c2scc3c2ncnc3N)F 3d4bf47217c1b3167d7ea99499bf0f9a [0,2,0,0,0,0|2,0,0]=4 514 B22R3.5041625 N#Cc1c(cc(cc1F)n2ncc3c2nccc3O)F e6f68881bc43aa7d2cfb7085de1aa353 [0,2,0,0,0,0|2,0,0]=4 515 B22R3.38977 N#Cc1cc(c(c(c1)F)c2scc3c2ncnc3N)F 9b343b314312edc503c0a6bdb61eecd6 [0,2,0,0,0,0|2,0,0]=4 516 B22R3.1345022 COc1cc(ccc1c2scc3c2ncnc3N)C#N 3c949ff6f444d14492db5a5900171b3a [0,2,0,0,0,0|2,0,0]=4 517 B22R3.1345022 N#Cc1ccc(c(c1)C#N)c2scc3c2ncnc3N a81933cb782b78255f3879d1b69cce89 [0,2,0,0,0,0|2,0,0]=4 518 B22R3.1345022 N#Cc1ccc(c(c1)CBr)c2scc3c2ncnc3N fe7f76af1f11332889c7d7485ef71a13 [0,2,0,0,0,0|2,0,0]=4 519 B20R3.205 N#Cc1ccc(cc1)n2nccc2c3cnco3 261088fb80d936006e7f628064ffb3c2 [0,0,1,1,0,0|2,0,0]=4 520 B20R3.205 N#Cc1ccc(cc1)n2nccc2c3cncs3 59be7ca4de87139aa9da7f9a5a26b9b6 [0,0,1,1,0,0|2,0,0]=4 521 B20R3.223 C=Cc1ccc(cc1)Nc2ncnc3c2cn[nH]3 0f3517d9aef8b614e5466f4009860ace [0,0,1,1,0,0|1,0,1]=4 522 B20R3.223 CCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 9f1e22774642baea66a1cab3d2f083db [0,0,1,1,0,0|1,0,1]=4 523 B20R3.223 COc1ccc(cc1)Nc2ncnc3c2cn[nH]3 59256c72157bd5198272d1ecf7aa31d7 [0,0,1,1,0,0|2,0,0]=4 524 B20R3.223 CSc1ccc(cc1)Nc2ncnc3c2cn[nH]3 83df9238b1e5efabb232d216cb5fc2ae [0,0,1,1,0,0|2,0,0]=4 525 B20R3.223 FCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 c7852782cf59b9f9ab8fe77c07b96681 [0,0,1,1,0,0|1,0,1]=4 526 B20R3.223 N#Cc1ccc(cc1)Nc2nccc3c2cn[nH]3 24a7efbc735fdb5efd0e7c0d28c084ec [0,0,1,1,0,0|1,0,0]=3 527 B20R3.223 N#Cc1ccc(cc1)Nc2ncnc3n2cnn3 0eddf51c21a48dca6643f64d60184b56 [0,0,1,1,0,0|1,0,1]=4 528 B20R3.223 N#Cc1ccc(cc1)Nc2ncnn3c2cnc3 63d0ccbe956c09fdb5f88aa180c3d3ae [0,0,1,1,0,0|2,0,0]=4 529 B20R3.223 N#Cc1ccc(cn1)Nc2ccnc3c2cn[nH]3 ef4073cf765d177fd34a8c3fc388231f [0,0,1,1,0,0|2,0,0]=4 530 B20R3.223 N#Cc1ccc(cn1)Nc2nccc3c2cn[nH]3 038737264ca040243d3b3b994cfdedd9 [0,0,1,1,0,0|2,0,0]=4 531 B20R3.223 N#Cc1ccc(cn1)Nc2ncnc3c2cn[nH]3 df5ca5479f384695e01fe3fcf5b7c6eb [0,0,1,1,0,0|1,0,0]=3 532 B20R3.223 N#Cc1ccc(cn1)Nc2ncnc3c2nn[nH]3 d5c89c211d7c24cffc4b35ad44232495 [0,0,1,1,0,0|2,0,0]=4 533 B20R3.223 N#Cc1ccc(nc1)Nc2ccnc3c2cn[nH]3 3076970bec5e97d5dcf4409715a084c8 [0,0,1,1,0,0|2,0,0]=4 534 B20R3.223 N#Cc1ccc(nc1)Nc2nccc3c2cn[nH]3 592b64deff8ff5f148c04b6231f0b355 [0,0,1,1,0,0|2,0,0]=4 535 B20R3.223 N#Cc1ccc(nn1)Nc2ncnc3c2cn[nH]3 ea37a7b41e7eed89d754a3f219e445fe [0,0,1,1,0,0|2,0,0]=4 536 B20R3.223 O=Cc1ccc(cc1)Nc2ncnc3c2cn[nH]3 786c204b9731083a66b101caedfe72bf [0,0,1,1,0,0|1,0,1]=4 537 B20R3.223 OCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 61cdcca646952c405c55fe0bb8c0c4e8 [0,0,1,1,0,0|1,0,1]=4 538 B20R3.223 SCc1ccc(cc1)Nc2ncnc3c2cn[nH]3 78c60362ab9566ffadb916d334b37ad9 [0,0,1,1,0,0|1,0,1]=4 539 B20R3.526921 Cc1ccncc1c2n[nH]c3c2cc(cc3)C#N 2416d2b9b01678314f87f0b885d763b5 [0,0,1,1,0,0|2,0,0]=4 540 B20R3.526921 Cc1ncccc1c2n[nH]c3c2cc(cc3)C#N 8c95644c38095a30d53c850739c9c1bf [0,0,1,1,0,0|2,0,0]=4 541 B20R3.526921 Cc1ncncc1c2n[nH]c3c2cc(cc3)C#N 38561a022ccce740616a2e58b3b00b22 [0,0,1,1,0,0|1,0,0]=3 542 B20R3.526921 Cc1ncncc1c2n[nH]c3c2nc(cc3)C#N cf7282340f39e67acb57b925107d7728 [0,0,1,1,0,0|2,0,0]=4 543 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3Br 52b0b7cbefdc3aa26bc4ab0e3bbbd9a6 [0,0,1,1,0,0|2,0,0]=4 544 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3Cl c28aee043818fd31629c4b39a6f901be [0,0,1,1,0,0|2,0,0]=4 545 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3F 12903ffe6e85da7fe9e5957458b71232 [0,0,1,1,0,0|2,0,0]=4 546 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cccnc3O 6fdc35be1b79e7089fe351e0a9fa5d36 [0,0,1,1,0,0|2,0,0]=4 547 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cnccc3Br cd91500859f6edd7c85d7a70da2d3062 [0,0,1,1,0,0|2,0,0]=4 548 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cnccc3Cl ac654d5ccf13f1391ab7708b4306b140 [0,0,1,1,0,0|2,0,0]=4 549 B20R3.526921 N#Cc1ccc2[nH]nc(c2c1)c3cnccc3F 4b4f7bb1b37c511d44421ba8f01fdc09 [0,0,1,1,0,0|2,0,0]=4 550 B20R3.7126 N#Cc1ccc(cc1)c2cnc3nc(sc3n2)N 097547e62e934d066301b502622ee11e [0,0,1,1,0,0|2,0,0]=4 551 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3c[nH]cn3 25e7a60a02653e1bee5da7ba440417eb [0,0,1,1,0,0|1,0,1]=4 552 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ccc[nH]3 930b33aa8823eb7ac34716005819c607 [0,0,1,1,0,0|2,0,0]=4 553 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ccn[nH]3 94059399bbf809e9becb437e87c7716e [0,0,1,1,0,0|1,0,0]=3 554 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ccno3 909f02bcb3fe1946ddbbb8de86b37c82 [0,0,1,1,0,0|2,0,0]=4 555 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ccns3 0a75f28ec705c540a6021c7a42b76b9d [0,0,1,1,0,0|2,0,0]=4 556 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cnco3 aa19c44a838f555ed449585fe6e5919d [0,0,1,1,0,0|2,0,0]=4 557 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cncs3 7af8db4cd19d871ed95cad9ad0449c88 [0,0,1,1,0,0|2,0,0]=4 558 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cnsn3 b1f587d4b4ba8e745d1f5456434e2563 [0,0,1,1,0,0|2,0,0]=4 559 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cocn3 ae256974f64d1e1d734a4aeab200234a [0,0,1,1,0,0|2,0,0]=4 560 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3cscn3 964e7f19a7a6bda3b2fac9578ad5389d [0,0,1,1,0,0|2,0,0]=4 561 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3nc[nH]n3 63ea41ba490e4123ed9846a803e70cbd [0,0,1,1,0,0|0,0,2]=4 562 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ncc[nH]3 d4bf17a0b89537e07b225a0c3cfca4a5 [0,0,1,1,0,0|1,0,0]=3 563 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ncco3 7bfd693c556b7b1482b51492e15132e6 [0,0,1,1,0,0|2,0,0]=4 564 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3nccs3 5a5ca451c0759e83d3ad3a2c5a19d78a [0,0,1,1,0,0|2,0,0]=4 565 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ncns3 3cda1c3c3766e98188d36abee0a7ddcd [0,0,1,1,0,0|1,0,0]=3 566 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3ncsn3 64f29efd62464d99ae515a61ec828cc3 [0,0,1,1,0,0|1,0,1]=4 567 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3nn[nH]n3 8d3a8b4f916553ff39cde89ffb485f89 [0,0,1,1,0,0|1,0,1]=4 568 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3nnco3 126d1851e49635585bb1166c02df2bc8 [0,0,1,1,0,0|1,0,1]=4 569 B20R3.5 N#Cc1ccc(cc1)n2cc(cn2)c3nncs3 23587f51668db07f48a21c65df176ba2 [0,0,1,1,0,0|1,0,1]=4 570 B20R3.207 N#Cc1ccc(cc1)c2cc3c(ncnc3s2)N f1b3b66ce88e22db68752011d080305f [0,0,1,1,0,0|2,0,0]=4 571 B18R2.95 COc1c(ncnc1c2ccc(cc2)C#N)N f82bff699314d105573a97fab8c2ab05 [0,0,1,0,1,0|2,0,0]=4 572 B18R2.95 N#Cc1ccc(cc1)c2ccnc(c2C=O)N 97358d371db5b07ac12dda7d51edc9b9 [0,0,1,0,1,0|2,0,0]=4 573 B18R2.95 N#Cc1ccc(cc1)c2nccc(c2C=O)N e8d08f8bc9bb55f1148848a219919592 [0,0,1,0,1,0|2,0,0]=4 574 B18R2.95 N#Cc1ccc(cc1)c2ncnc(c2C#N)N 1507c6e6d488695921afa51499530498 [0,0,1,0,1,0|0,0,2]=4 575 B18R2.95 N#Cc1ccc(cc1)c2ncnc(c2C=O)N d42bb860ae8ded66c466619de276dcae [0,0,1,0,1,0|1,0,0]=3 576 B18R2.95 N#Cc1ccc(cc1)c2ncnc(c2CO)N f29467d163671cd64317202ede956ce0 [0,0,1,0,1,0|1,0,1]=4 577 B18R2.95 N#Cc1ccc(cn1)c2ncnc(c2C=O)N 72cda4e56c0a82e359fa8352810167df [0,0,1,0,1,0|2,0,0]=4 578 B18R2.95 N#Cc1ccc(nc1)c2ncnc(c2C=O)N e7dea5f0666f326074eb4af0ae38d4d3 [0,0,1,0,1,0|2,0,0]=4 579 B18R3.23 N#Cc1cc(cs1)n2ccc3c2ncnc3 150b6156c4f75e916858f8eb49d063d8 [1,0,0,0,1,0|2,0,0]=4 580 B18R3.23 N#Cc1cc(cs1)n2ncc3c2ccnc3 2b7098ff66399d30e4eba8f327091cfb [1,0,0,0,1,0|2,0,0]=4 581 B18R3.23 N#Cc1cc(cs1)n2ncc3c2nccc3 c6cd5a5ec743136aa74099b021b15708 [1,0,0,0,1,0|2,0,0]=4 582 B18R3.23 N#Cc1cc(cs1)n2ncc3c2ncnc3 91c4d50440cf0ec40a9eaf4add389c3f [1,0,0,0,1,0|1,0,0]=3 583 B20R2.5597 N#Cc1ccc(cc1)CNc2ncnc(c2C=O)Cl 53464afd7edafc3ebace4ea82001e247 [0,0,1,0,0,1|2,0,0]=4 584 B20R2.5519 CN(Cc1ccc(cc1)C#N)c2ncnc(c2N)N 0577361d4be0179ab7fc3e6288beb5bf [0,0,1,0,0,1|2,0,0]=4 585 B20R3.183 N#Cc1ccc(cc1)CN2CCc3c2ncnc3 58a6c2a88791b0e1a63eea351b23e796 [1,0,0,0,0,1|1,0,1]=4 586 B20R3.209 N#Cc1ccc(cc1)c2cccc3c2ncnc3 11ae64c4d7a9d5f74fb8d3f2e09e76ed [1,0,0,0,0,1|2,0,0]=4 587 B20R3.209 N#Cc1ccc(cc1)c2cncc3c2ccnc3 b9ac407d92b9bf9fd280d9500a1a3220 [1,0,0,0,0,1|2,0,0]=4 588 B20R3.209 N#Cc1ccc(cc1)c2cncc3c2nccc3 9c7beeb20c20353029faea232e8347ce [1,0,0,0,0,1|2,0,0]=4 589 B20R3.209 N#Cc1ccc(cc1)c2nccc3c2ccnc3 68169d50c0b9400d657b9bbe023edad9 [1,0,0,0,0,1|2,0,0]=4 590 B20R3.209 N#Cc1ccc(cc1)c2nccc3c2nccc3 d96690c2e95ab5d09534a4ab9a63ab43 [1,0,0,0,0,1|2,0,0]=4 591 B20R3.209 N#Cc1ccc(cc1)c2ncnc3c2ccnc3 b19d9e49e1a57abdcdb279b505c7ef7a [1,0,0,0,0,1|2,0,0]=4 592 B20R3.209 N#Cc1ccc(cc1)c2ncnc3c2nccc3 68683c94fe31aced85f8ae6de023a05a [1,0,0,0,0,1|2,0,0]=4 593 B20R3.3283 N#Cc1cc(ccn1)c2scc3c2ncnc3N 20547a6f4639dcaab01681386e4cb706 [0,0,0,0,1,1|2,0,0]=4 594 B20R3.3283 N#Cc1cccc(c1)c2scc3c2ncnc3N a161cee09fce69d459906502ff5b2b12 [0,0,0,0,1,1|2,0,0]=4 595 B20R3.3283 N#Cc1cncc(c1)c2scc3c2ncnc3N 707a21dfb449ced55d875292652cd86a [0,0,0,0,1,1|2,0,0]=4