0 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,0,1,0,0,0|2,0,1]=4 1 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,0,1,0,0,0|2,0,1]=4 2 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [0,0,1,0,0,0|1,0,1]=3 3 B9R1.8 CCNc1cnncn1 f82c088077ae7696bce842278215e142 [0,0,1,0,0,0|2,0,1]=4 4 B9R1.8 CCNc1nccnn1 de6c00a96ec865d94fb0210d389d00df [0,0,1,0,0,0|2,0,1]=4 5 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [0,0,1,0,0,0|2,0,1]=4 6 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [0,0,1,0,0,0|2,0,1]=4 7 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [0,0,1,0,0,0|2,0,1]=4 8 B9R1.8 FCNc1cnccn1 3cbe94cf9594c68ec8b94825e8905ed8 [0,0,1,0,0,0|1,0,1]=3 9 B9R1.8 FCNc1cnncn1 cf2d60d09353e5fe601cde13f44f37dd [0,0,1,0,0,0|2,0,1]=4 10 B9R1.8 FCNc1nccnn1 788eab52e13fe2478809d0633ccc75ce [0,0,1,0,0,0|2,0,1]=4 11 B9R1.8 FCOc1cnccn1 e656ed16372ac6d21dfc0a12172339fc [0,0,1,0,0,0|2,0,1]=4 12 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [0,0,1,0,0,0|2,0,0]=3 13 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [0,0,1,0,0,0|2,0,0]=3 14 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [0,0,1,0,0,0|3,0,0]=4 15 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [0,0,1,0,0,0|3,0,0]=4 16 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [0,0,1,0,0,0|3,0,0]=4 17 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [0,0,1,0,0,0|1,0,0]=2 18 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [0,0,1,0,0,0|2,0,1]=4 19 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [0,0,1,0,0,0|2,0,1]=4 20 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [0,0,1,0,0,0|1,0,1]=3 21 B9R1.8 OCNc1cnncn1 f1d96bc5221288013fff015bb1f6294b [0,0,1,0,0,0|2,0,1]=4 22 B9R1.8 OCNc1nccnn1 d414fce0c658af23d2660939054119b2 [0,0,1,0,0,0|2,0,1]=4 23 B9R1.12 C=CCOc1c[nH]cn1 b64bd5797da60b1d481d5ef5f4601f86 [0,0,1,0,0,0|2,0,1]=4 24 B9R1.12 O=CCOc1c[nH]cn1 70217748d9d99784da867c7efa39800b [0,0,1,0,0,0|2,0,1]=4 25 B10R1.1 CCNc1cnc(cn1)Br 6193fdd09c4d7196a3aa4cf36704c96a [0,1,1,0,0,0|1,0,1]=4 26 B10R1.1 CCNc1cnc(cn1)C 941166f6068049435314cb9c37d7492a [0,1,1,0,0,0|1,0,1]=4 27 B10R1.1 CCNc1cnc(cn1)Cl f988f1cb66650f066f78da27c7a3b727 [0,1,1,0,0,0|1,0,1]=4 28 B10R1.1 CCNc1cnc(cn1)I 35cfe6dab3f2769a734da88f1f6d579b [0,1,1,0,0,0|1,0,1]=4 29 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [0,1,1,0,0,0|2,0,0]=4 30 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [0,1,1,0,0,0|2,0,0]=4 31 B10R1.1 Cc1cnc(cn1)NC=O e9e57b2c428d760f4b8aeaa154812af8 [0,1,1,0,0,0|1,0,0]=3 32 B10R1.1 Cc1cnc(cn1)NCF 1e2112348c82f5660acfd19a3a3c8bd7 [0,1,1,0,0,0|1,0,1]=4 33 B10R1.1 Cc1cnc(cn1)NCO 8d393161f1ce972fb638d7faa3b7e084 [0,1,1,0,0,0|1,0,1]=4 34 B10R1.1 FCNc1cnc(cn1)Br 62f3f8907614cd2ac217df9079e21c1c [0,1,1,0,0,0|1,0,1]=4 35 B10R1.1 FCNc1cnc(cn1)Cl 7c1d361c874c139cc09db643878d2396 [0,1,1,0,0,0|1,0,1]=4 36 B10R1.1 FCNc1cnc(cn1)I 1ac146d0760510d6eec5a8b71e89e22d [0,1,1,0,0,0|1,0,1]=4 37 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [0,1,1,0,0,0|2,0,0]=4 38 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [0,1,1,0,0,0|2,0,0]=4 39 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [0,1,1,0,0,0|2,0,0]=4 40 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [0,1,1,0,0,0|2,0,0]=4 41 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [0,1,1,0,0,0|2,0,0]=4 42 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [0,1,1,0,0,0|2,0,0]=4 43 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [0,1,1,0,0,0|2,0,0]=4 44 B10R1.1 O=CNc1cnc(cn1)I af01da4417bd95476bee1226abf9579d [0,1,1,0,0,0|1,0,0]=3 45 B10R1.1 OCNc1cnc(cn1)Br 4d63ba1fbaee7cd5f1f33766138c27d8 [0,1,1,0,0,0|1,0,1]=4 46 B10R1.1 OCNc1cnc(cn1)Cl 05d19fead3500da1f5f909ebaa556384 [0,1,1,0,0,0|1,0,1]=4 47 B10R1.1 OCNc1cnc(cn1)I 526505ba51f1220d36cd66215a497b36 [0,1,1,0,0,0|1,0,1]=4 48 B10R1.4 CCNc1nccnc1Br 2d907f4bd6f02c9cef277fbcf41c453b [0,1,1,0,0,0|1,0,1]=4 49 B10R1.4 CCNc1nccnc1C 3a642966a1abe913b5ad08a3a9152c71 [0,1,1,0,0,0|1,0,1]=4 50 B10R1.4 CCNc1nccnc1Cl e6a9b6e484a84024d5e12240604a943c [0,1,1,0,0,0|1,0,1]=4 51 B10R1.4 CCNc1nccnc1I 4c45ef2dd2308c7078fb2cb28ca195b4 [0,1,1,0,0,0|1,0,1]=4 52 B10R1.4 Cc1cccnc1NC=O eddc5748a2e62b33a5566ebe9e562102 [0,1,1,0,0,0|2,0,0]=4 53 B10R1.4 Cc1ccncc1NC=O 480a397461cc81757979891789a47566 [0,1,1,0,0,0|2,0,0]=4 54 B10R1.4 Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [0,1,1,0,0,0|2,0,0]=4 55 B10R1.4 Cc1nccnc1NC=O 8a484b3cbf5462e9e715573d77acff31 [0,1,1,0,0,0|1,0,0]=3 56 B10R1.4 Cc1nccnc1NCF 75f59e3232eacc54a7d91ec4a824414b [0,1,1,0,0,0|1,0,1]=4 57 B10R1.4 Cc1nccnc1NCO b7efb285f742fc426f6d2f93fedaca5c [0,1,1,0,0,0|1,0,1]=4 58 B10R1.4 FCNc1nccnc1Br 04a99016cbf67fa52501d1285a1447ad [0,1,1,0,0,0|1,0,1]=4 59 B10R1.4 FCNc1nccnc1Cl 357d900716526fc9324068a46fc29f08 [0,1,1,0,0,0|1,0,1]=4 60 B10R1.4 FCNc1nccnc1I 1be940700b57ecfe0817736c83a9371c [0,1,1,0,0,0|1,0,1]=4 61 B10R1.4 O=CNc1cccnc1Br 067ed8cd00ae2be37ffcd23d4b813102 [0,1,1,0,0,0|2,0,0]=4 62 B10R1.4 O=CNc1cccnc1Cl 65ed286318dffde1ac22a69c8035c069 [0,1,1,0,0,0|2,0,0]=4 63 B10R1.4 O=CNc1cccnc1F 3f6098c3ee28b0b9240bc4385fc649ef [0,1,1,0,0,0|2,0,0]=4 64 B10R1.4 O=CNc1cccnc1I 554eb10301b8ea5a0631a3d0de1821bb [0,1,1,0,0,0|2,0,0]=4 65 B10R1.4 O=CNc1cccnc1O 2b8662d82921d406bd957c952a352054 [0,1,1,0,0,0|2,0,0]=4 66 B10R1.4 O=CNc1cnccc1Br 175a2e259bf91212e04dc2028b743367 [0,1,1,0,0,0|2,0,0]=4 67 B10R1.4 O=CNc1cnccc1F 93504e3990a6d40804e0070c51f15814 [0,1,1,0,0,0|2,0,0]=4 68 B10R1.4 O=CNc1cnccc1I 69e2f5597c7a113298b91de3b2400640 [0,1,1,0,0,0|2,0,0]=4 69 B10R1.4 O=CNc1cnccc1S e87b0427f473ebba57abc19e02e63ca1 [0,1,1,0,0,0|2,0,0]=4 70 B10R1.4 O=CNc1ncccc1Br 2bfca1acb095df8692524bc64723ba9b [0,1,1,0,0,0|2,0,0]=4 71 B10R1.4 O=CNc1ncccc1Cl 8545ddb1e36e607a772e90cc20b597eb [0,1,1,0,0,0|2,0,0]=4 72 B10R1.4 O=CNc1ncccc1F 2d934af61c68c8c71a4c9194d198930c [0,1,1,0,0,0|2,0,0]=4 73 B10R1.4 O=CNc1ncccc1I cae19cd679f2cd830ea4d1d7d347da28 [0,1,1,0,0,0|2,0,0]=4 74 B10R1.4 O=CNc1ncccc1O 1fdc1f2b7f57339d12939de7ab16180b [0,1,1,0,0,0|2,0,0]=4 75 B10R1.4 O=CNc1nccnc1Cl 089829ebd9959dba49b3132f62071166 [0,1,1,0,0,0|1,0,0]=3 76 B10R1.4 O=CNc1nccnc1I 2e10bdd171dce7454b75c79e3055667b [0,1,1,0,0,0|1,0,0]=3 77 B10R1.4 O=CNc1nccnc1O 9b1c055dbb00f06f2fbd37bb73cd7aa1 [0,1,1,0,0,0|1,0,0]=3 78 B10R1.4 OCNc1nccnc1Br 7af049698c29a358d0876489e041db17 [0,1,1,0,0,0|1,0,1]=4 79 B10R1.4 OCNc1nccnc1Cl cbb688ed77e7f2172670808df4fc3df7 [0,1,1,0,0,0|1,0,1]=4 80 B10R1.4 OCNc1nccnc1I 9575c4b17a9e104d2c49002bcf42a737 [0,1,1,0,0,0|1,0,1]=4 81 B10R1.10 CCNc1cncc(n1)Br 770b397851bc6547edd2c903a2ac898f [0,1,1,0,0,0|1,0,1]=4 82 B10R1.10 CCNc1cncc(n1)C c6553f13dc26f5036471e9acc89e9094 [0,1,1,0,0,0|1,0,1]=4 83 B10R1.10 CCNc1cncc(n1)Cl 19802d29a0366658b0d20a1b222f5acc [0,1,1,0,0,0|1,0,1]=4 84 B10R1.10 CCNc1cncc(n1)F dc25744462a94011d6172cb1be08948d [0,1,1,0,0,0|1,0,1]=4 85 B10R1.10 Cc1cccc(n1)NC=O ed2cb43abfa9e18c06399d497b7d9003 [0,1,1,0,0,0|2,0,0]=4 86 B10R1.10 Cc1ccnc(c1)NC=O eb3abfd32da8586a758691536bf07486 [0,1,1,0,0,0|2,0,0]=4 87 B10R1.10 Cc1cncc(c1)NC=O 95a870ee7a047f48cb87dd1c0e78a9ee [0,1,1,0,0,0|2,0,0]=4 88 B10R1.10 Cc1cncc(n1)NC=O 25b6fe1ae28318b79ebde191ccd7cd48 [0,1,1,0,0,0|1,0,0]=3 89 B10R1.10 Cc1cncc(n1)NCO e102e798dd6c9887b8213e2cc8372701 [0,1,1,0,0,0|1,0,1]=4 90 B10R1.10 FCNc1cncc(n1)Br 35583abfa44bf3136ee67c7c3066e81b [0,1,1,0,0,0|1,0,1]=4 91 B10R1.10 FCNc1cncc(n1)Cl 9fd3e425ae67cf40906c01d8993b0c5e [0,1,1,0,0,0|1,0,1]=4 92 B10R1.10 FCNc1cncc(n1)F efa8620bc60977cb8936506a8f312656 [0,1,1,0,0,0|1,0,1]=4 93 B10R1.10 O=CNc1cc(ccn1)Cl 6b6c85f18ba607a083fcc35e13622e19 [0,1,1,0,0,0|2,0,0]=4 94 B10R1.10 O=CNc1cc(ccn1)F 22e5ac79b9d0cc27ef6263b1646d5601 [0,1,1,0,0,0|2,0,0]=4 95 B10R1.10 O=CNc1cc(ccn1)O f7c20b6003f2bd2dd1237de57a7e5881 [0,1,1,0,0,0|2,0,0]=4 96 B10R1.10 O=CNc1cccc(n1)Br d0a5a21929b617be7b84c1c911470bf6 [0,1,1,0,0,0|2,0,0]=4 97 B10R1.10 O=CNc1cccc(n1)Cl ac0e9eb68a34eabe5b0113dfee26506e [0,1,1,0,0,0|2,0,0]=4 98 B10R1.10 O=CNc1cccc(n1)F 7f6b4bf345efc87d793d80dd4ecfe368 [0,1,1,0,0,0|2,0,0]=4 99 B10R1.10 O=CNc1cccc(n1)I b8d564702983298e228006f730a723d0 [0,1,1,0,0,0|2,0,0]=4 100 B10R1.10 O=CNc1cncc(c1)Cl 6d418a989dcc249129d9ecf8231bde00 [0,1,1,0,0,0|2,0,0]=4 101 B10R1.10 O=CNc1cncc(c1)F c1b15bdb8b54842fb529d27afe0a8448 [0,1,1,0,0,0|2,0,0]=4 102 B10R1.10 O=CNc1cncc(c1)I ffdc4eb6863604810b48b838ef206cc9 [0,1,1,0,0,0|2,0,0]=4 103 B10R1.10 O=CNc1cncc(c1)O 626df693a598a70ed1c051a8db581956 [0,1,1,0,0,0|2,0,0]=4 104 B10R1.10 O=CNc1cncc(n1)Br 475bb1b17cab64494efd83a794fa42df [0,1,1,0,0,0|1,0,0]=3 105 B10R1.10 O=CNc1cncc(n1)Cl 9b5f2db0ce0bbbe7637d6165f6139469 [0,1,1,0,0,0|1,0,0]=3 106 B10R1.10 O=CNc1cncc(n1)F 865df80447df4ebd0d1b0310671b79b8 [0,1,1,0,0,0|1,0,0]=3 107 B10R1.10 OCNc1cncc(n1)Br 005c36c0c4eaf204736a39c011d51cf3 [0,1,1,0,0,0|1,0,1]=4 108 B10R1.10 OCNc1cncc(n1)Cl a3724f5599260f2dc2505f57b68a7e22 [0,1,1,0,0,0|1,0,1]=4 109 B10R1.10 OCNc1cncc(n1)F 6e8e324fc3437d191026d3ee1a20485e [0,1,1,0,0,0|1,0,1]=4 110 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,1,1,0,0,0|1,0,1]=4 111 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,1,1,0,0,0|2,0,0]=4 112 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,1,1,0,0,0|2,0,0]=4 113 B10R1.15 CN(CF)c1cnccn1 a9fa5c6bd903856b36188b1f0c8b1c0b [0,1,1,0,0,0|1,0,1]=4 114 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,1,1,0,0,0|1,0,1]=4 115 B10R1.17 C#CCNc1cnccn1 dc6987489b39578bddc05e0be3eb230e [0,1,1,0,0,0|1,0,1]=4 116 B10R1.17 C=CCNc1ccccn1 a09a0780182f6d8fa8752ca3713a2f3e [0,1,1,0,0,0|2,0,0]=4 117 B10R1.17 C=CCNc1cccnc1 91b240dd75d71a218918690927e5881a [0,1,1,0,0,0|2,0,0]=4 118 B10R1.17 C=CCNc1cnccn1 7e2fedbeb6954ebe9f1fbde2a577d90a [0,1,1,0,0,0|1,0,0]=3 119 B10R1.17 C=CCNc1cnncn1 2047554517787808504bdf4556a10a6b [0,1,1,0,0,0|2,0,0]=4 120 B10R1.17 C=CCNc1nccnn1 13969026064c4cfa8a55b16334f40305 [0,1,1,0,0,0|2,0,0]=4 121 B10R1.17 C=CCOc1cnccn1 4666c6b00a4f4348694de26ab0f9e595 [0,1,1,0,0,0|2,0,0]=4 122 B10R1.17 CCCNc1cnccn1 21846cbecedbe2640cf1187c9cb12883 [0,1,1,0,0,0|1,0,1]=4 123 B10R1.17 CCNCc1cnccn1 e42a4917d2a6a9dffed5bdafd4c5a5d6 [0,1,1,0,0,0|1,0,1]=4 124 B10R1.17 COCNc1cnccn1 e1b86a322d65d71968ad3b0b53c14350 [0,1,1,0,0,0|1,0,1]=4 125 B10R1.17 CSCNc1cnccn1 930f16f0ffaab42f985807a52dc0c6d1 [0,1,1,0,0,0|1,0,1]=4 126 B10R1.17 FCCNc1cnccn1 dd60db3af5d33017b5272adbacfa821e [0,1,1,0,0,0|1,0,1]=4 127 B10R1.17 FCNCc1cnccn1 b6859870939f07ca1816c457c1ced744 [0,1,1,0,0,0|1,0,1]=4 128 B10R1.17 N#CCNc1cnccn1 a7df16fc21523e52db6e770eb1e6c776 [0,1,1,0,0,0|0,0,2]=4 129 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [0,1,1,0,0,0|2,0,0]=4 130 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [0,1,1,0,0,0|2,0,0]=4 131 B10R1.17 O=CCNc1cnccn1 1f2d05c8c2da92e2355104fcbbea848e [0,1,1,0,0,0|1,0,0]=3 132 B10R1.17 O=CCNc1cnncn1 27758409efdf45300aa42e56f2eea8f4 [0,1,1,0,0,0|2,0,0]=4 133 B10R1.17 O=CCNc1nccnn1 ff38b8dffb4c7fc68be6144c00c1f13e [0,1,1,0,0,0|2,0,0]=4 134 B10R1.17 O=CCOc1cnccn1 ecda20f1b67333503933c739d5d7b88b [0,1,1,0,0,0|2,0,0]=4 135 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [0,1,1,0,0,0|2,0,0]=4 136 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [0,1,1,0,0,0|2,0,0]=4 137 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [0,1,1,0,0,0|1,0,0]=3 138 B10R1.17 OCCNc1cnccn1 b8c8b329bec75a99372dd1b5fe38a887 [0,1,1,0,0,0|1,0,1]=4 139 B10R1.17 OCNCc1cnccn1 2e97e3c7cc39869beec41193ed233122 [0,1,1,0,0,0|1,0,1]=4 140 B10R1.17 SCCNc1cnccn1 7a532bee0aa009efe26ced5e1fd07b4c [0,1,1,0,0,0|1,0,1]=4 141 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,1,1,0,0,0|2,0,0]=4 142 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,1,1,0,0,0|2,0,0]=4 143 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,1,1,0,0,0|1,0,0]=3 144 B10R1.18 CC(C)Nc1cnccn1 58156a1e8faa75eacf930a892d9c44a0 [0,1,1,0,0,0|1,0,1]=4 145 B10R1.21 C/C=C/COc1c[nH]cn1 3a010fe3d1a9e7f9b35c1d05260ea385 [0,1,1,0,0,0|2,0,0]=4 146 B10R1.21 C/C=C\COc1c[nH]cn1 6a41a70c06fa488a12645e2f95a912dc [0,1,1,0,0,0|2,0,0]=4 147 B10R1.21 CC=CCNc1c[nH]cn1 5370d3478c1fb26c56749fbca1432f9b [0,1,1,0,0,0|1,0,1]=4 148 B10R1.21 Cl/C=C/COc1c[nH]cn1 c60a66216f18b7ff0d749d5508d10766 [0,1,1,0,0,0|2,0,0]=4 149 B10R1.21 Cl/C=C\COc1c[nH]cn1 2c9e805dde0d72cbe5fce87182b4d3ae [0,1,1,0,0,0|2,0,0]=4 150 B12R2.1 CCN1CCc2c1nccn2 3a03a9b80da9220833252a85218386b2 [0,2,0,0,0,0|1,0,1]=4 151 B12R2.1 FCN1CCc2c1nccn2 532a8beac2385f30a7dcaf6c6a577405 [0,2,0,0,0,0|1,0,1]=4 152 B12R2.1 O=CN1CCc2c1nccn2 3dde5bbab042a2c47d35ce7f8f31979e [0,2,0,0,0,0|1,0,1]=4 153 B12R2.1 OCN1CCc2c1nccn2 f033df3ade04e8da35a0353fed6500eb [0,2,0,0,0,0|1,0,1]=4 154 B11R1.1 C=CCNc1cnc(cn1)Br aed68bc5b692299e6adb0e589ab6ec83 [0,2,1,0,0,0|1,0,0]=4 155 B11R1.1 C=CCNc1cnc(cn1)C 06e87030907f755327eb94de71eadd9b [0,2,1,0,0,0|1,0,0]=4 156 B11R1.1 C=CCNc1cnc(cn1)Cl e7796956bce11a71caf1bbfa4f4d875c [0,2,1,0,0,0|1,0,0]=4 157 B11R1.1 C=CCNc1cnc(cn1)I cd50a23feb8c07784b92ff9e0a8dd67d [0,2,1,0,0,0|1,0,0]=4 158 B11R1.1 Cc1cnc(cn1)CNC=O 9bdcbee08ea77fd783f1eed992ef475d [0,2,1,0,0,0|1,0,0]=4 159 B11R1.1 Cc1cnc(cn1)NCC=O b3a6ecf811d245cedeae43c13cf27c7b [0,2,1,0,0,0|1,0,0]=4 160 B11R1.1 O=CCNc1cnc(cn1)Br 6c066c2a02f2fbdb5f807396ae957936 [0,2,1,0,0,0|1,0,0]=4 161 B11R1.1 O=CCNc1cnc(cn1)Cl 7c179c93db7e130f96f18b446558b555 [0,2,1,0,0,0|1,0,0]=4 162 B11R1.1 O=CCNc1cnc(cn1)I 8f4acb282d1a7655f59b873c5965e225 [0,2,1,0,0,0|1,0,0]=4 163 B11R1.1 O=CNCc1cnc(cn1)Br ed204018d900744b3d024003a3b5bcbb [0,2,1,0,0,0|1,0,0]=4 164 B11R1.1 O=CNCc1cnc(cn1)Cl 420ae1fdc0518f3b03274b8002e8a06c [0,2,1,0,0,0|1,0,0]=4 165 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,2,1,0,0,0|1,0,0]=4 166 B11R1.20 CC(=O)Nc1cnc(cn1)I 21bc22ad112fe01077ff258cec8c3b14 [0,2,1,0,0,0|1,0,0]=4 167 B11R1.22 CN(C=O)c1cnc(cn1)Br be4c0e691ae29eb651e2f8d3dae585ca [0,2,1,0,0,0|1,0,0]=4 168 B11R1.22 CN(C=O)c1cnc(cn1)Cl 31d08618a518bfd9ef3bde3a5dbab4fc [0,2,1,0,0,0|1,0,0]=4 169 B11R1.22 Cc1cnc(cn1)N(C)C=O 629909b64e721791a7f7f5c721219694 [0,2,1,0,0,0|1,0,0]=4 170 B11R1.81 Cc1nc(cnc1NC=O)I d02af8a27821eb2eebaf82b5aa59a223 [0,2,1,0,0,0|1,0,0]=4 171 B11R1.81 O=CNc1ncc(nc1Cl)I 59cbba56dd27f83afe541c9e89326f86 [0,2,1,0,0,0|1,0,0]=4 172 B11R1.83 C#Cc1cnc(cn1)NC=O e34aa1d365d257f9ec8c7759a76060cd [0,2,1,0,0,0|1,0,0]=4 173 B11R1.83 CCc1cnc(cn1)NC=O 9a0c80736b8d7fc82f28578339dc28d0 [0,2,1,0,0,0|1,0,0]=4 174 B11R1.83 COc1cnc(cn1)NC=O 18dcf3661b6cc15273eda845f3605595 [0,2,1,0,0,0|1,0,0]=4 175 B11R1.83 CSc1cnc(cn1)NC=O 78e67b1f7a41d510d431862e48b13875 [0,2,1,0,0,0|1,0,0]=4 176 B11R1.83 O=CNc1cnc(cn1)CO e78d75a171072ab3915b955e65b285b5 [0,2,1,0,0,0|1,0,0]=4 177 B11R1.192 Cc1nc(cnc1Br)NC=O eb40e684461d9758067a9118d881d127 [0,2,1,0,0,0|1,0,0]=4 178 B11R1.192 Cc1ncc(nc1C)NC=O 11a898a46c0f0ff77d2279924c626d34 [0,2,1,0,0,0|1,0,0]=4 179 B11R1.192 O=CNc1cnc(c(n1)Cl)Cl 7a91413eebff94472988ae2cb2506da3 [0,2,1,0,0,0|1,0,0]=4 180 B11R1.17 C=CCNc1nccnc1Br 134a278a5c5543b092e9a6127cf3b249 [0,2,1,0,0,0|1,0,0]=4 181 B11R1.17 C=CCNc1nccnc1C 8d56d5d72e660429efb707e19169aef2 [0,2,1,0,0,0|1,0,0]=4 182 B11R1.17 C=CCNc1nccnc1Cl 90ecd13639862afbe36ab1e0e1423efd [0,2,1,0,0,0|1,0,0]=4 183 B11R1.17 C=CCNc1nccnc1I df1791adec0aab0007e497bf6922e6c0 [0,2,1,0,0,0|1,0,0]=4 184 B11R1.17 Cc1nccnc1NCC=O 29032085b68d309d91ff765b64ed0dc0 [0,2,1,0,0,0|1,0,0]=4 185 B11R1.17 O=CCNc1nccnc1Br b273b9e3ec7c76f214a3c836304e3c7a [0,2,1,0,0,0|1,0,0]=4 186 B11R1.17 O=CCNc1nccnc1Cl 4c8d21e5c08b24cc492d35cc1d201ec6 [0,2,1,0,0,0|1,0,0]=4 187 B11R1.17 O=CCNc1nccnc1I 161540f96d43513bb2d6d4b5fce6f91b [0,2,1,0,0,0|1,0,0]=4 188 B11R1.17 O=CNCc1nccnc1Cl e3627ef2fcb3c6676e384a9f392b3289 [0,2,1,0,0,0|1,0,0]=4 189 B11R1.41 CCc1nccnc1NC=O 619ab142ddd8ffd8cc79e691509afd80 [0,2,1,0,0,0|1,0,0]=4 190 B11R1.41 COc1nccnc1NC=O 7a05052076c50d6256b37a426b38925a [0,2,1,0,0,0|1,0,0]=4 191 B11R1.41 N#Cc1nccnc1NC=O 201243fe1f8c03b6d918355b325172fb [0,2,1,0,0,0|1,0,0]=4 192 B11R1.41 O=CNc1nccnc1C=O 94d399889d2bd88bd99ca4db209ae3d2 [0,2,1,0,0,0|1,0,0]=4 193 B11R1.41 O=CNc1nccnc1CO da92e4e5842ff2ae3ff9c58d24f0b6d4 [0,2,1,0,0,0|1,0,0]=4 194 B11R1.86 CC(=O)Nc1nccnc1C 91307da892d26270c50ec6b371044d57 [0,2,1,0,0,0|1,0,0]=4 195 B11R1.86 CC(=O)Nc1nccnc1Cl 73358f12f40bca8d83f664898a1a7cda [0,2,1,0,0,0|1,0,0]=4 196 B11R1.86 CC(=O)Nc1nccnc1I 329e07036277c7ed530d8478ac3ced74 [0,2,1,0,0,0|1,0,0]=4 197 B11R1.86 CC(=O)Nc1nccnc1O fd538b7c2f434a2f6f99824cfe0a9b4c [0,2,1,0,0,0|1,0,0]=4 198 B11R1.182 Cc1cnc(c(n1)NC=O)Cl 1cd668c59342809da75c0ae9e3103df4 [0,2,1,0,0,0|1,0,0]=4 199 B11R1.182 O=CNc1nc(cnc1Cl)Br 6aecedf7a9b1ba8948f1dd1aafe81813 [0,2,1,0,0,0|1,0,0]=4 200 B11R1.182 O=CNc1nc(cnc1Cl)Cl b65fde7b958efe09df534268d1431930 [0,2,1,0,0,0|1,0,0]=4 201 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [0,2,1,0,0,0|1,0,0]=4 202 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [0,2,1,0,0,0|1,0,0]=4 203 B11R1.24 C=CCNc1cncc(n1)Br 5ee6ea11021a21fa099315dfaddb2e14 [0,2,1,0,0,0|1,0,0]=4 204 B11R1.24 C=CCNc1cncc(n1)C 146ec54448607dd3f52aad1551a3665d [0,2,1,0,0,0|1,0,0]=4 205 B11R1.24 C=CCNc1cncc(n1)Cl e7937665e0e2bfc09836576536bcd7c6 [0,2,1,0,0,0|1,0,0]=4 206 B11R1.24 C=CCNc1cncc(n1)F d3b7fbce13c54c4f141f60b69e595a89 [0,2,1,0,0,0|1,0,0]=4 207 B11R1.24 Cc1cncc(n1)NCC=O 1f5e2ade4846b898a4726f7fa36df1c1 [0,2,1,0,0,0|1,0,0]=4 208 B11R1.24 O=CCNc1cncc(n1)Br 16ae5c721d29c34c03ea8f0feed53acc [0,2,1,0,0,0|1,0,0]=4 209 B11R1.24 O=CCNc1cncc(n1)Cl 517eb05693e0e3cd0274c1aaddc48816 [0,2,1,0,0,0|1,0,0]=4 210 B11R1.24 O=CCNc1cncc(n1)F 659ddc069151fa4751dc71ab09630800 [0,2,1,0,0,0|1,0,0]=4 211 B11R1.24 O=CNCc1cncc(n1)Cl 194e6a7d6e5f98e2bd34a7c347d24720 [0,2,1,0,0,0|1,0,0]=4 212 B11R1.157 CC(=O)Nc1cncc(n1)C 814c6641018618ae240ef1a1633a60e7 [0,2,1,0,0,0|1,0,0]=4 213 B11R1.157 CC(=O)Nc1cncc(n1)F ef72f805b1e497b0355d489c7333b0d9 [0,2,1,0,0,0|1,0,0]=4 214 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,2,1,0,0,0|1,0,0]=4 215 B11R1.16 C=CCN(C)c1cnccn1 cc787492a46ddbcf60b305b71c24191e [0,2,1,0,0,0|1,0,0]=4 216 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [0,2,1,0,0,0|1,0,0]=4 217 B11R1.16 CN(CC=O)c1cnccn1 7c6a09d326b306da2afe6afe92255679 [0,2,1,0,0,0|1,0,0]=4 218 B11R1.36 CC(=O)N(C)c1cnccn1 7d8fc7dfc94af72e401da7941f18789c [0,2,1,0,0,0|1,0,0]=4 219 B11R1.28 C/C=C/CNc1cnccn1 5d6aa3ff812a6eaf94686ca08968ea31 [0,2,1,0,0,0|1,0,0]=4 220 B11R1.28 C/C=C\CNc1cnccn1 7027c690ceaa69d20b23aebd92f8f62a [0,2,1,0,0,0|1,0,0]=4 221 B11R1.28 C=CCCNc1cnccn1 dddc9d6fd83ce426503af94a596f3771 [0,2,1,0,0,0|1,0,0]=4 222 B11R1.28 C=CCNCc1cnccn1 24cfbc0193223b0523fcef83caaa72f4 [0,2,1,0,0,0|1,0,0]=4 223 B11R1.28 CC=CCNc1cnccn1 624a4e385f3a26516887975ae8830dc4 [0,2,1,0,0,0|1,0,0]=4 224 B11R1.28 Cl/C=C/CNc1cnccn1 e8671713dc6a06cebb41104eaae1499e [0,2,1,0,0,0|1,0,0]=4 225 B11R1.28 Cl/C=C\CNc1cnccn1 fcc2e741b817023bf28c61cda14bd03e [0,2,1,0,0,0|1,0,0]=4 226 B11R1.28 O/C=C\CNc1cnccn1 42856907adf1463c572cd4925a22f64f [0,2,1,0,0,0|1,0,0]=4 227 B11R1.28 O=CCCNc1cnccn1 fe687cbaeeff5bc57114aceb909e83c3 [0,2,1,0,0,0|1,0,0]=4 228 B11R1.28 O=CCNCc1cnccn1 64e87f3a1a44784468df29ec03c2080d [0,2,1,0,0,0|1,0,0]=4 229 B11R1.28 O=CNCCc1cnccn1 aa33cad7c82b76f9314494217572508e [0,2,1,0,0,0|1,0,0]=4 230 B11R1.40 C#CC(=O)Nc1cnccn1 4b36f726c232f1d4ac2163b96818a611 [0,2,1,0,0,0|1,0,0]=4 231 B11R1.40 C=CC(=O)Nc1cnccn1 0750844e1718f30f6356a67d8d5f5dcf [0,2,1,0,0,0|1,0,0]=4 232 B11R1.40 C=CC(C)Nc1cnccn1 2ce38d7c68482d190f46e4388093ba1c [0,2,1,0,0,0|1,0,0]=4 233 B11R1.40 CC(C=O)Nc1cnccn1 ca669a34fd29c06e16c362add7ff1bce [0,2,1,0,0,0|1,0,0]=4 234 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,2,1,0,0,0|1,0,0]=4 235 B11R1.40 CN(C=O)Cc1cnccn1 b9f2001685a2ed99942d5f26418f6b7e [0,2,1,0,0,0|1,0,0]=4 236 B11R1.40 C[C@H](C=O)Nc1cnccn1 4c60062904b679381801663797286554 [0,2,1,0,0,0|1,0,0]=4 237 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,2,1,0,0,0|1,0,0]=4 238 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,2,1,0,0,0|1,0,0]=4 239 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,2,1,0,0,0|1,0,0]=4 240 B11R1.40 O=CC(=O)Nc1cnccn1 1b4db28b2217e8524dd00b0444a0d0b1 [0,2,1,0,0,0|1,0,0]=4 241 B11R1.91 C=C(Br)CNc1cnccn1 9f0c4d6b702b459bd132e6d3bc8847bd [0,2,1,0,0,0|1,0,0]=4 242 B11R1.91 C=C(C)CNc1cnccn1 d0a9ee6c6179d7f99dc86f8b5699859d [0,2,1,0,0,0|1,0,0]=4 243 B11R1.91 C=C(Cl)CNc1cnccn1 fce45930c37b0a2d56c1860774df0586 [0,2,1,0,0,0|1,0,0]=4 244 B11R1.91 C=C(F)CNc1cnccn1 8befbad564645d3398ffed6091b9be70 [0,2,1,0,0,0|1,0,0]=4 245 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,2,1,0,0,0|1,0,0]=4 246 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,2,1,0,0,0|1,0,0]=4 247 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,2,1,0,0,0|0,0,1]=4 248 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,2,1,0,0,0|1,0,0]=4 249 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,2,1,0,0,0|1,0,0]=4 250 B13R2.26 CCNc1nc2ncccc2[nH]1 a1e176e3aa1545afa6a52f52fbef5acc [0,3,0,0,0,0|1,0,0]=4 251 B13R2.26 CCNc1nc2nccnc2[nH]1 1c24d69faefc1dc2584ece9a0dd4ccfc [0,3,0,0,0,0|0,0,0]=3 252 B13R2.26 CCNc1nc2nccnc2s1 2cd52341e4cbd2ec49a516145b34ccfa [0,3,0,0,0,0|1,0,0]=4 253 B13R2.26 FCNc1nc2ncccc2[nH]1 b25cffaf513485bfb4116a50f5e1f237 [0,3,0,0,0,0|1,0,0]=4 254 B13R2.26 FCNc1nc2nccnc2[nH]1 948cb37381246872369b4308d9d10581 [0,3,0,0,0,0|0,0,0]=3 255 B13R2.26 FCNc1nc2nccnc2s1 4f950718e29b94a4e0c92dcbb00a5177 [0,3,0,0,0,0|1,0,0]=4 256 B13R2.26 O=CNc1nc2nccnc2s1 3b0ba817f47567ddf35465ceae7f6d8e [0,3,0,0,0,0|1,0,0]=4 257 B13R2.26 OCNc1nc2ncccc2[nH]1 59b924df762c50da4781c4f3604a2383 [0,3,0,0,0,0|1,0,0]=4 258 B13R2.26 OCNc1nc2nccnc2[nH]1 e0d20174ef3e3cb25e4e4e28b343d7ff [0,3,0,0,0,0|0,0,0]=3 259 B13R2.26 OCNc1nc2nccnc2s1 ad58a0931fd419fbea581c5bed32c27d [0,3,0,0,0,0|1,0,0]=4 260 B13R2.449 CCNc1ccc2nc[nH]c2n1 6bc9241374326425b9fbf00a7780e90e [0,3,0,0,0,0|1,0,0]=4 261 B13R2.449 CCNc1cnc2[nH]ccc2n1 ecd0eb0ad0460bdfb01a5ca7cafad17e [0,3,0,0,0,0|1,0,0]=4 262 B13R2.449 CCNc1cnc2nc[nH]c2c1 949f1dc309b655af0dc151822099635d [0,3,0,0,0,0|1,0,0]=4 263 B13R2.449 CCOc1cnc2[nH]ccc2n1 e373cac7a1bc3d8750ece2723858ae1c [0,3,0,0,0,0|1,0,0]=4 264 B13R2.449 CCOc1cnc2[nH]cnc2c1 95a0372c7ffe72b839b9c8e531d1ac54 [0,3,0,0,0,0|1,0,0]=4 265 B13R2.449 FCNc1ccc2nc[nH]c2n1 a0047cb69b04bdfbc26ccfbbb0349d49 [0,3,0,0,0,0|1,0,0]=4 266 B13R2.449 FCNc1cnc2[nH]ccc2n1 44c1f5097b2a927df1adef7bfa279bd4 [0,3,0,0,0,0|1,0,0]=4 267 B13R2.449 FCNc1cnc2nc[nH]c2c1 6e9b8e9243a0253dff55c4c7abfcb94e [0,3,0,0,0,0|1,0,0]=4 268 B13R2.449 FCOc1cnc2[nH]ccc2n1 28609c6acdb063b179d0aeb83098f9fc [0,3,0,0,0,0|1,0,0]=4 269 B13R2.449 FCOc1cnc2[nH]cnc2c1 40da935dcb62f09687bbfd6e884fdce8 [0,3,0,0,0,0|1,0,0]=4 270 B13R2.449 OCNc1ccc2nc[nH]c2n1 45a05ae3cd503f982ca6c51c76b772ff [0,3,0,0,0,0|1,0,0]=4 271 B13R2.449 OCNc1cnc2[nH]ccc2n1 d9ccd6adc91c6d4dd2b6e42d91d43653 [0,3,0,0,0,0|1,0,0]=4 272 B13R2.449 OCNc1cnc2nc[nH]c2c1 95f11c19ae3eb213f303b54b31866839 [0,3,0,0,0,0|1,0,0]=4 273 B13R2.292 CCNc1ccnc2c1nc[nH]2 11149e1f380280935da3bc0d78dcf7fd [0,3,0,0,0,0|1,0,0]=4 274 B13R2.292 FCNc1ccnc2c1nc[nH]2 166ffdda99128f7e2d111d6af1923aea [0,3,0,0,0,0|1,0,0]=4 275 B13R2.292 OCNc1ccnc2c1nc[nH]2 c3460aa612ff3344877e1e48718e2083 [0,3,0,0,0,0|1,0,0]=4 276 B11R2.2 c1c[nH]c(n1)c2c[nH]cn2 28e4495af975e933fd2c16c45081119c [0,1,1,1,0,0|0,0,1]=4 277 B11R2.2 c1cc([nH]n1)c2c[nH]cn2 650a207d8487e68ce0f2ddc668e0ebfe [0,1,1,1,0,0|1,0,0]=4 278 B11R2.2 c1cc(sn1)c2c[nH]cn2 2d3018d02d6a23dcdb92746562f2d83d [0,1,1,1,0,0|1,0,0]=4 279 B11R2.2 c1csc(n1)c2c[nH]cn2 9a542ee966b63bfb80aa6a9619855837 [0,1,1,1,0,0|1,0,0]=4 280 B11R2.2 c1nc(c[nH]1)c2cocn2 2754f06bf320bdf93ad263ab5c35c162 [0,1,1,1,0,0|1,0,0]=4 281 B11R2.2 c1nc(c[nH]1)c2cscn2 5e9e34fd8519cdf30962daadd17b8b85 [0,1,1,1,0,0|1,0,0]=4