0 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [0,1,0,0,0,0|1,0,1]=3 2 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,1,0,0,0,0|2,0,1]=4 3 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [0,1,0,0,0,0|2,0,1]=4 5 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [0,1,0,0,0,0|2,0,1]=4 7 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [0,1,0,0,0,0|1,0,1]=3 9 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.8 FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [0,1,0,0,0,0|2,0,1]=4 12 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [0,1,0,0,0,0|2,0,1]=4 13 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [0,1,0,0,0,0|2,0,1]=4 15 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.8 O=CNc1ccncn1 2441242a2ef010826c6f20d4fd1c9498 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [0,1,0,0,0,0|0,0,2]=3 23 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,0,1,0,0,0|1,0,1]=3 28 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,0,0,0,1,0|1,0,2]=4 29 B8R0.4 C=C/C=C/CCNC=O 5f5a45858f3ff325a2fd6c8f3e87724d [0,1,1,0,0,0|0,0,2]=4 30 B8R0.4 C=CCOC/C=C/C=O a4a267a2d5f3d6156c40ca957d34238e [0,1,1,0,0,0|0,0,2]=4 31 B8R0.9 C=C(Br)COC(=C)C=O 85fe1b8c9dea64979a4f884d103d7b70 [0,1,1,0,0,0|1,0,1]=4 32 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [0,1,1,0,0,0|1,0,1]=4 33 B8R0.9 C=C(Cl)COC(=C)C=O ac20ce74164c3234574373b286dc33ea [0,1,1,0,0,0|1,0,1]=4 34 B8R0.9 C=C(F)COC(=C)C=O ca34e4e6ae260783b5cf483fcb7bd93b [0,1,1,0,0,0|1,0,1]=4 35 B8R0.19 C=CC(C)OC(=C)C=O 8c192ba855365988a6d73bd92d3bddfc [0,1,1,0,0,0|1,0,1]=4 36 B8R0.22 C=CCN(C=O)CC=C bac43df1c1c5aff9152d746a49dd9272 [0,1,1,0,0,0|1,0,1]=4 37 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [0,1,0,0,1,0|1,0,0]=3 38 B8R1.8 O=CNc1ccno1 aae61b9cd3ebc97474890d3f855206e4 [0,1,0,0,1,0|2,0,0]=4 39 B8R1.8 O=CNc1ccns1 ce5df5142e91fb4f21bc04e2f907948a [0,1,0,0,1,0|2,0,0]=4 40 B8R1.8 O=CNc1ccon1 cca691a48b26a4c8aa46cb0c5d0b373e [0,1,0,0,1,0|2,0,0]=4 41 B8R1.8 O=CNc1ccsc1 0a6858906ba6a8fe50b8bca40778ed89 [0,1,0,0,1,0|1,0,0]=3 42 B8R1.8 O=CNc1cncs1 2fc027c30eccc6d6784fdd08eb71b5dd [0,1,0,0,1,0|2,0,0]=4 43 B8R1.8 O=CNc1cnoc1 472a01c2324cdbebb1eff21eefd1b7b1 [0,1,0,0,1,0|2,0,0]=4 44 B8R1.8 O=CNc1cnsc1 249530280d443e0e3eaeda414e04731b [0,1,0,0,1,0|2,0,0]=4 45 B8R1.8 O=CNc1cocn1 fa7501fc60eefe5acd9d7f72446662b1 [0,1,0,0,1,0|2,0,0]=4 46 B8R1.8 O=CNc1cscn1 dc58d2c2a66d8256ef5e7a147170c401 [0,1,0,0,1,0|2,0,0]=4 47 B8R1.8 O=CNc1ncco1 6995c12eff18399819f86d155261d936 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.8 O=CNc1nccs1 390a57e714801d3a9ba2a25dd47bacc9 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [0,2,0,0,0,0|1,0,1]=4 50 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [0,2,0,0,0,0|1,0,1]=4 51 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [0,2,0,0,0,0|1,0,1]=4 53 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [0,2,0,0,0,0|1,0,1]=4 54 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [0,2,0,0,0,0|1,0,1]=4 55 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [0,2,0,0,0,0|1,0,1]=4 56 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [0,2,0,0,0,0|1,0,1]=4 57 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [0,2,0,0,0,0|1,0,1]=4 59 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [0,2,0,0,0,0|1,0,1]=4 60 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [0,2,0,0,0,0|1,0,1]=4 61 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [0,2,0,0,0,0|0,0,0]=2 62 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [0,2,0,0,0,0|1,0,1]=4 63 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [0,2,0,0,0,0|0,0,2]=4 64 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [0,2,0,0,0,0|1,0,1]=4 65 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [0,2,0,0,0,0|1,0,0]=3 66 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.1 Cc1ccc(nn1)NC=O a0c3d2b6c57084a347604d5a876b8f5b [0,2,0,0,0,0|2,0,0]=4 68 B10R1.1 Cc1cnc(cn1)NC=O e9e57b2c428d760f4b8aeaa154812af8 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.1 Cc1ncc(cn1)NC=O 37d565fb8ea2c9e131f98e0f4c687cdb [0,2,0,0,0,0|2,0,0]=4 70 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [0,2,0,0,0,0|1,0,1]=4 71 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [0,2,0,0,0,0|1,0,1]=4 73 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [0,2,0,0,0,0|1,0,1]=4 75 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [0,2,0,0,0,0|1,0,1]=4 77 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [0,2,0,0,0,0|1,0,1]=4 78 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [0,2,0,0,0,0|1,0,1]=4 80 B10R1.1 N#CNc1ccc(cc1)S 3fac1ce8a15899f909cc86420cdfee8e [0,2,0,0,0,0|1,0,1]=4 81 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [0,2,0,0,0,0|0,0,0]=2 82 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [0,2,0,0,0,0|0,0,0]=2 83 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [0,2,0,0,0,0|0,0,0]=2 84 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [0,2,0,0,0,0|0,0,0]=2 85 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [0,2,0,0,0,0|0,0,0]=2 86 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [0,2,0,0,0,0|1,0,0]=3 87 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [0,2,0,0,0,0|1,0,0]=3 88 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [0,2,0,0,0,0|1,0,0]=3 89 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [0,2,0,0,0,0|1,0,0]=3 91 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.1 O=CNc1ccc(nn1)F cd00cec90096c775120fee4ecabc3690 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.1 O=CNc1ccc(nn1)I 2e418ae87a76eebe599130e3d9369b0a [0,2,0,0,0,0|2,0,0]=4 95 B10R1.1 O=CNc1cnc(cn1)I af01da4417bd95476bee1226abf9579d [0,2,0,0,0,0|2,0,0]=4 96 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [0,2,0,0,0,0|0,0,2]=4 97 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [0,2,0,0,0,0|0,0,2]=4 98 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [0,2,0,0,0,0|0,0,2]=4 99 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [0,2,0,0,0,0|0,0,2]=4 100 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [0,2,0,0,0,0|0,0,2]=4 101 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [0,2,0,0,0,0|1,0,1]=4 102 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [0,2,0,0,0,0|1,0,1]=4 103 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [0,2,0,0,0,0|1,0,1]=4 104 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [0,2,0,0,0,0|1,0,1]=4 105 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [0,2,0,0,0,0|1,0,1]=4 106 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [0,2,0,0,0,0|1,0,1]=4 107 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [0,2,0,0,0,0|1,0,1]=4 109 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [0,2,0,0,0,0|1,0,1]=4 110 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [0,2,0,0,0,0|1,0,1]=4 112 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [0,2,0,0,0,0|1,0,1]=4 113 B10R1.10 Cc1cc(ccn1)NC=O a1b570429a4635d83924ed4666c430bc [0,2,0,0,0,0|1,0,0]=3 114 B10R1.10 Cc1cccc(c1)NC#N f5e9953b13ee6ae14e392cb4d9d34737 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [0,2,0,0,0,0|0,0,0]=2 116 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [0,2,0,0,0,0|1,0,1]=4 117 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [0,2,0,0,0,0|0,0,2]=4 118 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [0,2,0,0,0,0|1,0,1]=4 119 B10R1.10 Cc1cccc(n1)NC=O ed2cb43abfa9e18c06399d497b7d9003 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.10 Cc1ccnc(c1)NC=O eb3abfd32da8586a758691536bf07486 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.10 Cc1cncc(c1)NC=O 95a870ee7a047f48cb87dd1c0e78a9ee [0,2,0,0,0,0|1,0,0]=3 122 B10R1.10 Cc1cncc(n1)NC=O 25b6fe1ae28318b79ebde191ccd7cd48 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.10 Cc1cnnc(c1)NC=O 5ae21a3f77bb0697c6057ea9281edc46 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.10 Cc1nccc(n1)NC=O e84c30325902b0646d151aa501bd82b0 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.10 FCNc1cccc(c1)Br c9704cbdbb1fdbdf56d8ebff639cbd91 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [0,2,0,0,0,0|1,0,1]=4 127 B10R1.10 FCNc1cccc(c1)F 7d4f26ca413cdb267cd9918eadc7e27c [0,2,0,0,0,0|1,0,1]=4 128 B10R1.10 FCNc1cccc(c1)I e0561328f6c898e6107a8b27b3024339 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.10 FCNc1cccc(c1)S 086bce0acd48689019a74b3e6fa25e44 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [0,2,0,0,0,0|1,0,1]=4 131 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [0,2,0,0,0,0|1,0,1]=4 132 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [0,2,0,0,0,0|1,0,1]=4 133 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [0,2,0,0,0,0|1,0,1]=4 134 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [0,2,0,0,0,0|1,0,1]=4 135 B10R1.10 O=CNc1cc(ccn1)Cl 6b6c85f18ba607a083fcc35e13622e19 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.10 O=CNc1cc(ccn1)F 22e5ac79b9d0cc27ef6263b1646d5601 [0,2,0,0,0,0|1,0,0]=3 137 B10R1.10 O=CNc1cc(ccn1)O f7c20b6003f2bd2dd1237de57a7e5881 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.10 O=CNc1cc(cnn1)Cl 5fa9c6d5d460e27677c5ed0b907dfe19 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.10 O=CNc1cccc(c1)Br 5eb9518e9956f7a348d0a646a73a1e32 [0,2,0,0,0,0|0,0,0]=2 140 B10R1.10 O=CNc1cccc(c1)Cl 7fe4ac55882b67bb145106257f99a127 [0,2,0,0,0,0|0,0,0]=2 141 B10R1.10 O=CNc1cccc(c1)F 078b99782fd4caa299ab4bc2089ca8ec [0,2,0,0,0,0|0,0,0]=2 142 B10R1.10 O=CNc1cccc(c1)I 0ca8a7d6d3dcba43e51377ba593dcc41 [0,2,0,0,0,0|0,0,0]=2 143 B10R1.10 O=CNc1cccc(c1)O b7034720bcdfb6e36ba15c0a5abf2a37 [0,2,0,0,0,0|0,0,0]=2 144 B10R1.10 O=CNc1cccc(c1)S 605dde1db165209334662244eb37bfa5 [0,2,0,0,0,0|0,0,0]=2 145 B10R1.10 O=CNc1cccc(n1)Br d0a5a21929b617be7b84c1c911470bf6 [0,2,0,0,0,0|1,0,0]=3 146 B10R1.10 O=CNc1cccc(n1)Cl ac0e9eb68a34eabe5b0113dfee26506e [0,2,0,0,0,0|1,0,0]=3 147 B10R1.10 O=CNc1cccc(n1)F 7f6b4bf345efc87d793d80dd4ecfe368 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.10 O=CNc1cccc(n1)I b8d564702983298e228006f730a723d0 [0,2,0,0,0,0|1,0,0]=3 149 B10R1.10 O=CNc1ccnc(c1)Br 7d8391d7349e0baba7101dcad63499bd [0,2,0,0,0,0|1,0,0]=3 150 B10R1.10 O=CNc1ccnc(c1)Cl d8d3b27a1d645fa8f7ac255717dc5e9d [0,2,0,0,0,0|1,0,0]=3 151 B10R1.10 O=CNc1ccnc(c1)F 6e3376358f7c018fac14dfa72e615522 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.10 O=CNc1ccnc(c1)I 1c4dda9c715dd9fe3b927608e58e2909 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.10 O=CNc1ccnc(c1)O fac658cfc4c685e81e63118107e23109 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.10 O=CNc1ccnc(n1)Br e8d9c6e3a6a905647a1f935fb2206cbe [0,2,0,0,0,0|2,0,0]=4 155 B10R1.10 O=CNc1ccnc(n1)Cl e279712feafca9bbff4e592a947221f1 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.10 O=CNc1ccnc(n1)F 015d08238df74f91fe8ad1598bec7413 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.10 O=CNc1ccnc(n1)S 2940e0f041077b147ae7f55d8e180d06 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.10 O=CNc1cncc(c1)Cl 6d418a989dcc249129d9ecf8231bde00 [0,2,0,0,0,0|1,0,0]=3 159 B10R1.10 O=CNc1cncc(c1)F c1b15bdb8b54842fb529d27afe0a8448 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.10 O=CNc1cncc(c1)I ffdc4eb6863604810b48b838ef206cc9 [0,2,0,0,0,0|1,0,0]=3 161 B10R1.10 O=CNc1cncc(c1)O 626df693a598a70ed1c051a8db581956 [0,2,0,0,0,0|1,0,0]=3 162 B10R1.10 O=CNc1cncc(n1)Br 475bb1b17cab64494efd83a794fa42df [0,2,0,0,0,0|2,0,0]=4 163 B10R1.10 O=CNc1cncc(n1)Cl 9b5f2db0ce0bbbe7637d6165f6139469 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.10 O=CNc1cncc(n1)F 865df80447df4ebd0d1b0310671b79b8 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.10 O=CNc1cnnc(c1)Cl 9a720735c374bf77e72f6febdfbd4a4f [0,2,0,0,0,0|2,0,0]=4 166 B10R1.10 O=CNc1cnnc(c1)F 88415114f11f494f583627c87b6fc49d [0,2,0,0,0,0|2,0,0]=4 167 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [0,2,0,0,0,0|0,0,2]=4 168 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [0,2,0,0,0,0|0,0,2]=4 169 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [0,2,0,0,0,0|0,0,2]=4 170 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [0,2,0,0,0,0|0,0,2]=4 171 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [0,2,0,0,0,0|0,0,2]=4 172 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,2,0,0,0,0|1,0,1]=4 173 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,2,0,0,0,0|1,0,0]=3 174 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,2,0,0,0,0|1,0,0]=3 175 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,2,0,0,0,0|2,0,0]=4 176 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [0,2,0,0,0,0|1,0,0]=3 177 B10R1.15 CN(C=O)c1ccncn1 559e04860b4b657b48b2febe0788a499 [0,2,0,0,0,0|2,0,0]=4 178 B10R1.15 CN(C=O)c1ccnnc1 e2ebf1a31d3d52b6cc6cfffa8c5ad13e [0,2,0,0,0,0|2,0,0]=4 179 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [0,2,0,0,0,0|1,0,1]=4 180 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [0,2,0,0,0,0|1,0,1]=4 181 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [0,2,0,0,0,0|1,0,1]=4 182 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [0,2,0,0,0,0|1,0,1]=4 183 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [0,2,0,0,0,0|1,0,1]=4 184 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [0,2,0,0,0,0|1,0,1]=4 185 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [0,2,0,0,0,0|1,0,1]=4 186 B10R1.4 Cc1ccccc1NC#N 7e6eab3f5ed5e6af5d6b2d62b4dc9747 [0,2,0,0,0,0|1,0,1]=4 187 B10R1.4 Cc1ccccc1NC=O 93463d97863750f67f3c00d910f09802 [0,2,0,0,0,0|0,0,0]=2 188 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [0,2,0,0,0,0|1,0,1]=4 189 B10R1.4 Cc1cccnc1NC=O eddc5748a2e62b33a5566ebe9e562102 [0,2,0,0,0,0|1,0,0]=3 190 B10R1.4 Cc1ccncc1NC=O 480a397461cc81757979891789a47566 [0,2,0,0,0,0|1,0,0]=3 191 B10R1.4 Cc1ccnnc1NC=O 7f3bbd3272e98b7e332e47e9021c45a0 [0,2,0,0,0,0|2,0,0]=4 192 B10R1.4 Cc1cnccc1NC=O 097b7c8f6102fdb97f5ed9ba0f37156f [0,2,0,0,0,0|1,0,0]=3 193 B10R1.4 Cc1ncccc1NC=O 7a06f216539d990da9cb44ab6e9b0c87 [0,2,0,0,0,0|1,0,0]=3 194 B10R1.4 Cc1nccnc1NC=O 8a484b3cbf5462e9e715573d77acff31 [0,2,0,0,0,0|2,0,0]=4 195 B10R1.4 Cc1ncncc1NC=O e208c53ff6ae6786cc4686d2d6167722 [0,2,0,0,0,0|2,0,0]=4 196 B10R1.4 Cc1nnccc1NC=O 343696ed1d5858faa36f4c0c6c5c96ab [0,2,0,0,0,0|2,0,0]=4 197 B10R1.4 FCNc1ccccc1Cl d9b123aca09542405b035cbfc7a3c90b [0,2,0,0,0,0|1,0,1]=4 198 B10R1.4 FCNc1ccccc1F 0a7d0fadca34184ec755df42efe17064 [0,2,0,0,0,0|1,0,1]=4 199 B10R1.4 FCNc1ccccc1I 5959339ca8fbd24d83e04ddfbe0e0157 [0,2,0,0,0,0|1,0,1]=4 200 B10R1.4 FCNc1ccccc1S d634255285ab47bb94c2bca0b3757d2a [0,2,0,0,0,0|1,0,1]=4 201 B10R1.4 FCOc1ccccc1Cl a5299ee9d2e64e316b2aa5d3a27153e6 [0,2,0,0,0,0|1,0,1]=4 202 B10R1.4 FCOc1ccccc1F 5806cc0111f0c8f01c1e2cf9018d81c2 [0,2,0,0,0,0|1,0,1]=4 203 B10R1.4 FCOc1ccccc1I decd9faac1634980fd9c104b6a434168 [0,2,0,0,0,0|1,0,1]=4 204 B10R1.4 O=CNc1cccc[n+]1[O-] 965e0abbb142b0680abb5ad3f95c2305 [0,2,0,0,0,0|1,0,0]=3 205 B10R1.4 O=CNc1ccccc1Cl f50c00cfcaa880ebbb89407e81f8f8d5 [0,2,0,0,0,0|0,0,0]=2 206 B10R1.4 O=CNc1ccccc1F f3282ec2c1421e860906e44973b8a687 [0,2,0,0,0,0|0,0,0]=2 207 B10R1.4 O=CNc1ccccc1I 892dff9976fcab110017d24c58532fbf [0,2,0,0,0,0|0,0,0]=2 208 B10R1.4 O=CNc1ccccc1O a5803dbb8fd09b48d1dac5606f2634e9 [0,2,0,0,0,0|0,0,0]=2 209 B10R1.4 O=CNc1ccccc1S adbd377728039742a9715a2c254499e8 [0,2,0,0,0,0|0,0,0]=2 210 B10R1.4 O=CNc1cccnc1Br 067ed8cd00ae2be37ffcd23d4b813102 [0,2,0,0,0,0|1,0,0]=3 211 B10R1.4 O=CNc1cccnc1Cl 65ed286318dffde1ac22a69c8035c069 [0,2,0,0,0,0|1,0,0]=3 212 B10R1.4 O=CNc1cccnc1F 3f6098c3ee28b0b9240bc4385fc649ef [0,2,0,0,0,0|1,0,0]=3 213 B10R1.4 O=CNc1cccnc1I 554eb10301b8ea5a0631a3d0de1821bb [0,2,0,0,0,0|1,0,0]=3 214 B10R1.4 O=CNc1cccnc1O 2b8662d82921d406bd957c952a352054 [0,2,0,0,0,0|1,0,0]=3 215 B10R1.4 O=CNc1ccncc1Cl 734a66ac7d7f2aa4f2065324b96fe67c [0,2,0,0,0,0|1,0,0]=3 216 B10R1.4 O=CNc1ccncc1F 54f9fb25ed013771f5dfd7f4f63bbf45 [0,2,0,0,0,0|1,0,0]=3 217 B10R1.4 O=CNc1ccncc1I d42bc74a08da7c0623dd1f31e79a9861 [0,2,0,0,0,0|1,0,0]=3 218 B10R1.4 O=CNc1cnccc1Br 175a2e259bf91212e04dc2028b743367 [0,2,0,0,0,0|1,0,0]=3 219 B10R1.4 O=CNc1cnccc1F 93504e3990a6d40804e0070c51f15814 [0,2,0,0,0,0|1,0,0]=3 220 B10R1.4 O=CNc1cnccc1I 69e2f5597c7a113298b91de3b2400640 [0,2,0,0,0,0|1,0,0]=3 221 B10R1.4 O=CNc1cnccc1S e87b0427f473ebba57abc19e02e63ca1 [0,2,0,0,0,0|1,0,0]=3 222 B10R1.4 O=CNc1cncnc1I 8004f1f11d2122a3a5d869defdfebb5c [0,2,0,0,0,0|2,0,0]=4 223 B10R1.4 O=CNc1ncccc1Br 2bfca1acb095df8692524bc64723ba9b [0,2,0,0,0,0|1,0,0]=3 224 B10R1.4 O=CNc1ncccc1Cl 8545ddb1e36e607a772e90cc20b597eb [0,2,0,0,0,0|1,0,0]=3 225 B10R1.4 O=CNc1ncccc1F 2d934af61c68c8c71a4c9194d198930c [0,2,0,0,0,0|1,0,0]=3 226 B10R1.4 O=CNc1ncccc1I cae19cd679f2cd830ea4d1d7d347da28 [0,2,0,0,0,0|1,0,0]=3 227 B10R1.4 O=CNc1ncccc1O 1fdc1f2b7f57339d12939de7ab16180b [0,2,0,0,0,0|1,0,0]=3 228 B10R1.4 O=CNc1nccnc1Cl 089829ebd9959dba49b3132f62071166 [0,2,0,0,0,0|2,0,0]=4 229 B10R1.4 O=CNc1nccnc1I 2e10bdd171dce7454b75c79e3055667b [0,2,0,0,0,0|2,0,0]=4 230 B10R1.4 O=CNc1nccnc1O 9b1c055dbb00f06f2fbd37bb73cd7aa1 [0,2,0,0,0,0|2,0,0]=4 231 B10R1.4 O=CNc1ncncc1F 91d6d0a9286a4f7fcb96a27ffa3cd099 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.4 O=CNc1ncncc1I 838103dde4b71eace0367b91f5e94bf1 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [0,2,0,0,0,0|0,0,2]=4 234 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [0,2,0,0,0,0|1,0,1]=4 235 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [0,2,0,0,0,0|1,0,1]=4 236 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [0,2,0,0,0,0|1,0,0]=3 237 B10R1.17 C=CCNc1ccccn1 a09a0780182f6d8fa8752ca3713a2f3e [0,2,0,0,0,0|2,0,0]=4 238 B10R1.17 C=CCNc1cccnc1 91b240dd75d71a218918690927e5881a [0,2,0,0,0,0|2,0,0]=4 239 B10R1.17 C=CCNc1ccncc1 fc2828cd8f2e538daa95abd157d2f583 [0,2,0,0,0,0|2,0,0]=4 240 B10R1.17 C=CCOc1ccccn1 eb9f74f9d52407e143455993efad096c [0,2,0,0,0,0|2,0,0]=4 241 B10R1.17 C=CCOc1cccnc1 7fb30f1efe498d0d31dd0f3d48945875 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.17 C=CCOc1ccncc1 c45ea9f8d1069d36df9c7358e1f29e58 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [0,2,0,0,0,0|1,0,1]=4 244 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [0,2,0,0,0,0|1,0,1]=4 245 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [0,2,0,0,0,0|0,0,2]=4 246 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [0,2,0,0,0,0|0,0,2]=4 247 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [0,2,0,0,0,0|0,1,1]=4 248 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [0,2,0,0,0,0|1,0,1]=4 249 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [0,2,0,0,0,0|1,0,1]=4 250 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [0,2,0,0,0,0|0,0,2]=4 251 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [0,2,0,0,0,0|1,0,1]=4 253 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [0,2,0,0,0,0|1,0,1]=4 254 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [0,2,0,0,0,0|0,0,0]=2 255 B10R1.17 O=CCNc1ccccn1 b00390cf782e1a66064d84fbb4455a3c [0,2,0,0,0,0|1,0,0]=3 256 B10R1.17 O=CCNc1cccnc1 e9d89fc8f59db8f4ca1573408ae38233 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.17 O=CCNc1cccnn1 b77e216bcd16205b619775ccaec2a915 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.17 O=CCNc1ccncc1 b936de0afb8269a2a61f35e281fea4e9 [0,2,0,0,0,0|1,0,0]=3 259 B10R1.17 O=CCNc1ccncn1 ad050d76e28a8f149081a0a787160952 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.17 O=CCNc1ccnnc1 0682a0f697b40c94c475aacd5325761f [0,2,0,0,0,0|2,0,0]=4 261 B10R1.17 O=CCNc1cnccn1 1f2d05c8c2da92e2355104fcbbea848e [0,2,0,0,0,0|2,0,0]=4 262 B10R1.17 O=CCNc1cncnc1 7936eded385f52228b568dc0cba11235 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.17 O=CCNc1ncccn1 6d36478dc88bf2e8e6c88235bd7271f3 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.17 O=CCOc1ccccn1 78f53edacda55ffdc5004f3168d63b47 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.17 O=CCOc1cccnc1 1d2e939a386c96cb8d89a6882c0c8d7c [0,2,0,0,0,0|1,0,0]=3 266 B10R1.17 O=CCOc1ccncc1 1ccec03aa34336841de9232973adaefb [0,2,0,0,0,0|1,0,0]=3 267 B10R1.17 O=CCOc1ccnnc1 57f08acb8fbf4f4c8b7c0a4f26235752 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.17 O=CCOc1cnccn1 ecda20f1b67333503933c739d5d7b88b [0,2,0,0,0,0|2,0,0]=4 269 B10R1.17 O=CCOc1cncnc1 9d2898239ffbc64472b6faadf9b0b97c [0,2,0,0,0,0|2,0,0]=4 270 B10R1.17 O=CCOc1ncccn1 dd95d94e1e128d72aa4c775327aa56bd [0,2,0,0,0,0|2,0,0]=4 271 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [0,2,0,0,0,0|0,0,0]=2 272 B10R1.17 O=CNCc1ccccn1 2a4bd7c465ac0ab8804867d1eeb7fd18 [0,2,0,0,0,0|1,0,0]=3 273 B10R1.17 O=CNCc1cccnc1 86ebf2990a9293a0c4bc35942f9e4571 [0,2,0,0,0,0|1,0,0]=3 274 B10R1.17 O=CNCc1cccnn1 c5e83bdac2e2f539bc82d2501f5689bd [0,2,0,0,0,0|2,0,0]=4 275 B10R1.17 O=CNCc1ccncc1 1f2ebcdeb77286cfab7ddcdf6ac042b2 [0,2,0,0,0,0|1,0,0]=3 276 B10R1.17 O=CNCc1ccncn1 9cc8575563436bdab6bb5758cdf1aa10 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.17 O=CNCc1ccnnc1 4023c62749855f1e846f9fbf9789417e [0,2,0,0,0,0|2,0,0]=4 278 B10R1.17 O=CNCc1cnccn1 2bd46c5e573c56891fa964a095c4e2d7 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.17 O=CNCc1cncnc1 3666ed94d9433e085fe377d1a30954f4 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.17 O=CNCc1ncccn1 7d1c42dda8acac697d69ce2b0a3b68b6 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [0,2,0,0,0,0|0,0,2]=4 282 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [0,2,0,0,0,0|0,0,2]=4 283 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [0,2,0,0,0,0|0,1,1]=4 284 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,2,0,0,0,0|1,0,0]=3 288 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [0,2,0,0,0,0|1,0,1]=4