0 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [0,0,1,0,0,0|2,0,0]=3 1 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,0,1,0,0,0|3,0,0]=4 2 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,0,1,0,0,0|3,0,0]=4 3 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [0,0,1,0,0,0|3,0,0]=4 4 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [0,0,1,0,0,0|3,0,0]=4 5 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [0,0,1,0,0,0|3,0,0]=4 6 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [0,0,1,0,0,0|3,0,0]=4 7 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [0,0,1,0,0,0|2,0,0]=3 8 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [0,0,1,0,0,0|3,0,0]=4 9 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [0,0,1,0,0,0|3,0,0]=4 10 B9R1.8 FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [0,0,1,0,0,0|3,0,0]=4 11 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [0,0,1,0,0,0|3,0,0]=4 12 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [0,0,1,0,0,0|3,0,0]=4 13 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [0,0,1,0,0,0|3,0,0]=4 14 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [0,0,1,0,0,0|1,0,0]=2 15 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [0,0,1,0,0,0|2,0,0]=3 16 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [0,0,1,0,0,0|2,0,0]=3 17 B9R1.8 OCNc1cccnn1 d8959988e09873d44f8b640f1fe386e3 [0,0,1,0,0,0|3,0,0]=4 18 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [0,0,1,0,0,0|2,0,0]=3 19 B9R1.8 OCNc1ccncn1 5807087c5c4108ffa8c52d7444f962d7 [0,0,1,0,0,0|3,0,0]=4 20 B9R1.8 OCNc1ccnnc1 3894cb787e7b8600c63a04771d062bff [0,0,1,0,0,0|3,0,0]=4 21 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [0,0,1,0,0,0|3,0,0]=4 22 B9R1.8 OCNc1cncnc1 f94e24e43a9b982a2515c894be0cdeee [0,0,1,0,0,0|3,0,0]=4 23 B9R1.8 OCNc1ncccn1 9fc76ad0c84f53b08af40c3faa9bb85c [0,0,1,0,0,0|3,0,0]=4 24 B11R2.238 c1cc(ccn1)NC2CC2 5ad70d53c8f8554348b48da331d79b17 [0,0,0,0,0,1|2,0,0]=3 25 B11R2.238 c1cc(cnn1)NC2CC2 9f38e533ae4b1470c9d08146bd9ebf5f [0,0,0,0,0,1|3,0,0]=4 26 B11R2.238 c1cc(cnn1)OC2CC2 db075b7d2e08bf2f9d661827545665d9 [0,0,0,0,0,1|3,0,0]=4 27 B11R2.238 c1ccc(cc1)NC2CC2 0cca6617983212a2989086e88698db73 [0,0,0,0,0,1|1,0,0]=2 28 B11R2.238 c1ccc(nc1)OC2CC2 05f70841461656fba19d4e6cae35b4c4 [0,0,0,0,0,1|2,0,0]=3 29 B11R2.238 c1cnc(nc1)NC2CC2 18a3c8f8b7f13eb4b818328df7a99401 [0,0,0,0,0,1|3,0,0]=4 30 B11R2.238 c1cncc(c1)NC2CC2 faca6d2d50c0b4a3e50cda13d58850cf [0,0,0,0,0,1|2,0,0]=3 31 B11R2.238 c1cncc(c1)OC2CC2 e02f03b072be3d2fd90f9a4a8c487a8f [0,0,0,0,0,1|2,0,0]=3 32 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,1,1,0,0,0|2,0,0]=4 33 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,1,1,0,0,0|2,0,0]=4 34 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,1,1,0,0,0|2,0,0]=4 35 B10R1.15 CN(CO)c1ccncc1 80b84f29ca23cc8379579376d55abff3 [0,1,1,0,0,0|2,0,0]=4 36 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [0,1,1,0,0,0|2,0,0]=4 37 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [0,1,1,0,0,0|2,0,0]=4 38 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [0,1,1,0,0,0|2,0,0]=4 39 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [0,1,1,0,0,0|2,0,0]=4 40 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [0,1,1,0,0,0|2,0,0]=4 41 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [0,1,1,0,0,0|2,0,0]=4 42 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [0,1,1,0,0,0|2,0,0]=4 43 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [0,1,1,0,0,0|2,0,0]=4 44 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [0,1,1,0,0,0|2,0,0]=4 45 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [0,1,1,0,0,0|2,0,0]=4 46 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [0,1,1,0,0,0|2,0,0]=4 47 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [0,1,1,0,0,0|2,0,0]=4 48 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [0,1,1,0,0,0|2,0,0]=4 49 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [0,1,1,0,0,0|1,0,0]=3 50 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [0,1,1,0,0,0|2,0,0]=4 51 B10R1.1 Cc1ccc(cn1)NCO fd814a39a039a510f879e6acc6bae8ec [0,1,1,0,0,0|2,0,0]=4 52 B10R1.1 Cc1ccc(nc1)NCO a3d787a21cbcad7f0f8fd58a7dfe7945 [0,1,1,0,0,0|2,0,0]=4 53 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [0,1,1,0,0,0|2,0,0]=4 54 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [0,1,1,0,0,0|2,0,0]=4 55 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [0,1,1,0,0,0|2,0,0]=4 56 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [0,1,1,0,0,0|2,0,0]=4 57 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [0,1,1,0,0,0|2,0,0]=4 58 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [0,1,1,0,0,0|2,0,0]=4 59 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [0,1,1,0,0,0|2,0,0]=4 60 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [0,1,1,0,0,0|2,0,0]=4 61 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [0,1,1,0,0,0|2,0,0]=4 62 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [0,1,1,0,0,0|2,0,0]=4 63 B10R1.1 O=c1ccc(c[nH]1)NCO 6c49f3fcbfcda41856e9a3ef89f0e0b2 [0,1,1,0,0,0|2,0,0]=4 64 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [0,1,1,0,0,0|1,0,0]=3 65 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [0,1,1,0,0,0|1,0,0]=3 66 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [0,1,1,0,0,0|1,0,0]=3 67 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [0,1,1,0,0,0|1,0,0]=3 68 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [0,1,1,0,0,0|1,0,0]=3 69 B10R1.1 OCNc1ccc(cn1)Br df4ffeb7d3426fa3f30c970836be5a07 [0,1,1,0,0,0|2,0,0]=4 70 B10R1.1 OCNc1ccc(cn1)Cl d8643f93dc56c4026f45d75600865cf1 [0,1,1,0,0,0|2,0,0]=4 71 B10R1.1 OCNc1ccc(cn1)F c678380a06127762dfcfe4f997000000 [0,1,1,0,0,0|2,0,0]=4 72 B10R1.1 OCNc1ccc(cn1)I 4da26305a3e4c2d76ed4b2a820524344 [0,1,1,0,0,0|2,0,0]=4 73 B10R1.1 OCNc1ccc(nc1)Br 399f860b3f8af2a89c07a3b0752fb11e [0,1,1,0,0,0|2,0,0]=4 74 B10R1.1 OCNc1ccc(nc1)Cl d6034f7aa3e9576c3befbcbc74c36153 [0,1,1,0,0,0|2,0,0]=4 75 B10R1.1 OCNc1ccc(nc1)F 9c48cfa9cdfaaee705bc9f41b078a0e2 [0,1,1,0,0,0|2,0,0]=4 76 B10R1.1 OCNc1ccc(nc1)I 115f65afea3289921087b1ab2d1633ed [0,1,1,0,0,0|2,0,0]=4 77 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [0,1,1,0,0,0|2,0,0]=4 78 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [0,1,1,0,0,0|2,0,0]=4 79 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [0,1,1,0,0,0|2,0,0]=4 80 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [0,1,1,0,0,0|2,0,0]=4 81 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [0,1,1,0,0,0|2,0,0]=4 82 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [0,1,1,0,0,0|2,0,0]=4 83 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [0,1,1,0,0,0|2,0,0]=4 84 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [0,1,1,0,0,0|2,0,0]=4 85 B10R1.4 Cc1cccnc1NCO b9826d2a8449ec373392c9bb98cfc60e [0,1,1,0,0,0|2,0,0]=4 86 B10R1.4 Cc1ccncc1NCO e4933813d96bfefaf0bee2f99290507f [0,1,1,0,0,0|2,0,0]=4 87 B10R1.4 Cc1cnccc1NCO 9c8541485e7e2429c3deeaca1ea35ffc [0,1,1,0,0,0|2,0,0]=4 88 B10R1.4 Cc1ncccc1NCO 2163da6c3951ac44c1be417e09664d52 [0,1,1,0,0,0|2,0,0]=4 89 B10R1.4 FCNc1ccccc1Cl d9b123aca09542405b035cbfc7a3c90b [0,1,1,0,0,0|2,0,0]=4 90 B10R1.4 FCNc1ccccc1F 0a7d0fadca34184ec755df42efe17064 [0,1,1,0,0,0|2,0,0]=4 91 B10R1.4 FCNc1ccccc1I 5959339ca8fbd24d83e04ddfbe0e0157 [0,1,1,0,0,0|2,0,0]=4 92 B10R1.4 FCNc1ccccc1S d634255285ab47bb94c2bca0b3757d2a [0,1,1,0,0,0|2,0,0]=4 93 B10R1.4 FCOc1ccccc1Cl a5299ee9d2e64e316b2aa5d3a27153e6 [0,1,1,0,0,0|2,0,0]=4 94 B10R1.4 FCOc1ccccc1F 5806cc0111f0c8f01c1e2cf9018d81c2 [0,1,1,0,0,0|2,0,0]=4 95 B10R1.4 FCOc1ccccc1I decd9faac1634980fd9c104b6a434168 [0,1,1,0,0,0|2,0,0]=4 96 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [0,1,1,0,0,0|1,0,0]=3 97 B10R1.4 OCNc1cccnc1Br 7e757b1b55f902889855879ddc522fb0 [0,1,1,0,0,0|2,0,0]=4 98 B10R1.4 OCNc1cccnc1Cl 698ab8db9bc7be3255bc7380ce9aaa39 [0,1,1,0,0,0|2,0,0]=4 99 B10R1.4 OCNc1cccnc1F fa95074763d1b79d4379cbccbf606177 [0,1,1,0,0,0|2,0,0]=4 100 B10R1.4 OCNc1cccnc1I 24ae1d254ba17b837d586845f299b407 [0,1,1,0,0,0|2,0,0]=4 101 B10R1.4 OCNc1ccncc1Br 043c6178a1ab58a98fa93ec425d203ca [0,1,1,0,0,0|2,0,0]=4 102 B10R1.4 OCNc1ccncc1Cl 2b47f51ab4733ba853a497ee10ffa423 [0,1,1,0,0,0|2,0,0]=4 103 B10R1.4 OCNc1ccncc1F 40fbda4234bf042d70ef0fda5d7316e1 [0,1,1,0,0,0|2,0,0]=4 104 B10R1.4 OCNc1ccncc1I 3ac21fc2c03a013c796b1896ac37dcd3 [0,1,1,0,0,0|2,0,0]=4 105 B10R1.4 OCNc1cnccc1Br 5d032f06debe2317bdc278b84367b2a4 [0,1,1,0,0,0|2,0,0]=4 106 B10R1.4 OCNc1cnccc1Cl 303a576d9462a0faf85137d3188ebf11 [0,1,1,0,0,0|2,0,0]=4 107 B10R1.4 OCNc1cnccc1F 3f2dcb75eda77bcd64256bb0d5fa488d [0,1,1,0,0,0|2,0,0]=4 108 B10R1.4 OCNc1cnccc1I b87052664ee5286776a0964c0ae129c4 [0,1,1,0,0,0|2,0,0]=4 109 B10R1.4 OCNc1cnccc1S 72adbafda58b2f8f71778b7cbd9fa239 [0,1,1,0,0,0|2,0,0]=4 110 B10R1.4 OCNc1ncccc1Br 77f1d94fff1c3354e71f7578b9db6e71 [0,1,1,0,0,0|2,0,0]=4 111 B10R1.4 OCNc1ncccc1Cl 256af2a4e5339bf92fd701c592729960 [0,1,1,0,0,0|2,0,0]=4 112 B10R1.4 OCNc1ncccc1F dba34b55d72c76512ea1914953015207 [0,1,1,0,0,0|2,0,0]=4 113 B10R1.4 OCNc1ncccc1I f23791fb28fbf315ed36948d7065f414 [0,1,1,0,0,0|2,0,0]=4 114 B10R1.4 [O-][n+]1ccccc1NCO fb15ecba3e81f851e97973b2f9b23d07 [0,1,1,0,0,0|2,0,0]=4 115 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [0,1,1,0,0,0|2,0,0]=4 116 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [0,1,1,0,0,0|2,0,0]=4 117 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [0,1,1,0,0,0|2,0,0]=4 118 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [0,1,1,0,0,0|2,0,0]=4 119 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [0,1,1,0,0,0|2,0,0]=4 120 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [0,1,1,0,0,0|2,0,0]=4 121 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [0,1,1,0,0,0|2,0,0]=4 122 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [0,1,1,0,0,0|2,0,0]=4 123 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [0,1,1,0,0,0|2,0,0]=4 124 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [0,1,1,0,0,0|2,0,0]=4 125 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [0,1,1,0,0,0|2,0,0]=4 126 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [0,1,1,0,0,0|2,0,0]=4 127 B10R1.10 Cc1cc(ccn1)NCO 353dcdae75673eff669a504a76ea86a7 [0,1,1,0,0,0|2,0,0]=4 128 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [0,1,1,0,0,0|2,0,0]=4 129 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [0,1,1,0,0,0|1,0,0]=3 130 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [0,1,1,0,0,0|2,0,0]=4 131 B10R1.10 Cc1cccc(n1)NCO 14b645ff6dbf83910f77237887d6e3d4 [0,1,1,0,0,0|2,0,0]=4 132 B10R1.10 Cc1ccnc(c1)NCO 65994d174363031ffa8868b3de8821ab [0,1,1,0,0,0|2,0,0]=4 133 B10R1.10 Cc1cncc(c1)NCO ee496a79f8157af8a8b0a0a3c499d815 [0,1,1,0,0,0|2,0,0]=4 134 B10R1.10 FCNc1cccc(c1)Br c9704cbdbb1fdbdf56d8ebff639cbd91 [0,1,1,0,0,0|2,0,0]=4 135 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [0,1,1,0,0,0|2,0,0]=4 136 B10R1.10 FCNc1cccc(c1)F 7d4f26ca413cdb267cd9918eadc7e27c [0,1,1,0,0,0|2,0,0]=4 137 B10R1.10 FCNc1cccc(c1)I e0561328f6c898e6107a8b27b3024339 [0,1,1,0,0,0|2,0,0]=4 138 B10R1.10 FCNc1cccc(c1)S 086bce0acd48689019a74b3e6fa25e44 [0,1,1,0,0,0|2,0,0]=4 139 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [0,1,1,0,0,0|2,0,0]=4 140 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [0,1,1,0,0,0|2,0,0]=4 141 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [0,1,1,0,0,0|2,0,0]=4 142 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [0,1,1,0,0,0|2,0,0]=4 143 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [0,1,1,0,0,0|2,0,0]=4 144 B10R1.10 OCNc1cc(ccn1)Br 16aad26f9e609d5d8d2a1c7fb05ca65b [0,1,1,0,0,0|2,0,0]=4 145 B10R1.10 OCNc1cc(ccn1)Cl 2b06f0190859c78504d004a8e6534b2d [0,1,1,0,0,0|2,0,0]=4 146 B10R1.10 OCNc1cc(ccn1)F c7590a86957b6cff19c24517f150f55d [0,1,1,0,0,0|2,0,0]=4 147 B10R1.10 OCNc1cc(ccn1)I fe68574e126dc1d2ad8fea565fb194e5 [0,1,1,0,0,0|2,0,0]=4 148 B10R1.10 OCNc1cc[nH]c(=S)c1 85b1a0788ca6a1ae6d09278931ec345f [0,1,1,0,0,0|2,0,0]=4 149 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [0,1,1,0,0,0|1,0,0]=3 150 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [0,1,1,0,0,0|1,0,0]=3 151 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [0,1,1,0,0,0|1,0,0]=3 152 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [0,1,1,0,0,0|1,0,0]=3 153 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [0,1,1,0,0,0|1,0,0]=3 154 B10R1.10 OCNc1cccc(n1)Br ec23cf0a73dbcad5ea46c52481edfe7e [0,1,1,0,0,0|2,0,0]=4 155 B10R1.10 OCNc1cccc(n1)Cl 9e37454f7ddda321db943a2776f00577 [0,1,1,0,0,0|2,0,0]=4 156 B10R1.10 OCNc1cccc(n1)F 8cbd1461b9b16d73df43b4022a07d4b9 [0,1,1,0,0,0|2,0,0]=4 157 B10R1.10 OCNc1cccc(n1)I 3dfc93003bb9b64fea97872de444ea1b [0,1,1,0,0,0|2,0,0]=4 158 B10R1.10 OCNc1ccnc(c1)Br f34c84263462672ec08c1545d87606f1 [0,1,1,0,0,0|2,0,0]=4 159 B10R1.10 OCNc1ccnc(c1)Cl 035bab7c33e3139ab7e61c532e36a8da [0,1,1,0,0,0|2,0,0]=4 160 B10R1.10 OCNc1ccnc(c1)F 8f926e1f9368883964881b96087d85c9 [0,1,1,0,0,0|2,0,0]=4 161 B10R1.10 OCNc1ccnc(c1)I 9c2baa838f3f9d27815664d79d1a550a [0,1,1,0,0,0|2,0,0]=4 162 B10R1.10 OCNc1cncc(c1)Br 22786331e0dc6b8b09cf20d0897d5f3b [0,1,1,0,0,0|2,0,0]=4 163 B10R1.10 OCNc1cncc(c1)Cl 258ed832222e8466a5881e98d79e789b [0,1,1,0,0,0|2,0,0]=4 164 B10R1.10 OCNc1cncc(c1)F 2545bb631007d7963e0a0dd86ab2e1bf [0,1,1,0,0,0|2,0,0]=4 165 B10R1.10 OCNc1cncc(c1)I 73140cc0c98763c1139ab7b397b91de3 [0,1,1,0,0,0|2,0,0]=4 166 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [0,1,1,0,0,0|1,0,0]=3 167 B10R1.17 BrCCNc1ccccn1 3e3884def368abe14a8394ce1a1093e4 [0,1,1,0,0,0|2,0,0]=4 168 B10R1.17 BrCCNc1cccnc1 2d13be8c88ebb7269676c6abc03a383d [0,1,1,0,0,0|2,0,0]=4 169 B10R1.17 BrCCNc1ccncc1 aa3f433af4f4f2183977f3124b404d50 [0,1,1,0,0,0|2,0,0]=4 170 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [0,1,1,0,0,0|1,0,1]=4 171 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [0,1,1,0,0,0|1,0,1]=4 172 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [0,1,1,0,0,0|1,0,0]=3 173 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [0,1,1,0,0,0|2,0,0]=4 174 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [0,1,1,0,0,0|2,0,0]=4 175 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [0,1,1,0,0,0|2,0,0]=4 176 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [0,1,1,0,0,0|2,0,0]=4 177 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [0,1,1,0,0,0|2,0,0]=4 178 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [0,1,1,0,0,0|2,0,0]=4 179 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [0,1,1,0,0,0|1,0,0]=3 180 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [0,1,1,0,0,0|2,0,0]=4 181 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [0,1,1,0,0,0|2,0,0]=4 182 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [0,1,1,0,0,0|2,0,0]=4 183 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [0,1,1,0,0,0|0,0,0]=2 184 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [0,1,1,0,0,0|1,0,0]=3 185 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [0,1,1,0,0,0|1,0,0]=3 186 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [0,1,1,0,0,0|2,0,0]=4 187 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [0,1,1,0,0,0|1,0,0]=3 188 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [0,1,1,0,0,0|2,0,0]=4 189 B10R1.17 CCOCc1ccnnc1 eb3f0189714571d275860574016314ed [0,1,1,0,0,0|2,0,0]=4 190 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [0,1,1,0,0,0|2,0,0]=4 191 B10R1.17 CCOCc1cncnc1 c69748ab8bdd1b31da65e1fc4248cd6d [0,1,1,0,0,0|2,0,0]=4 192 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [0,1,1,0,0,0|2,0,0]=4 193 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [0,1,1,0,0,0|0,0,0]=2 194 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [0,1,1,0,0,0|1,0,0]=3 195 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [0,1,1,0,0,0|1,0,0]=3 196 B10R1.17 COCNc1cccnn1 81506436050659ef73117567fa6791d8 [0,1,1,0,0,0|2,0,0]=4 197 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [0,1,1,0,0,0|1,0,0]=3 198 B10R1.17 COCNc1ccncn1 0121271d6ad38ca03fde203df163daca [0,1,1,0,0,0|2,0,0]=4 199 B10R1.17 COCNc1ccnnc1 45f0a2cd8410106cda79b7a687ce8831 [0,1,1,0,0,0|2,0,0]=4 200 B10R1.17 COCNc1cnccn1 e1b86a322d65d71968ad3b0b53c14350 [0,1,1,0,0,0|2,0,0]=4 201 B10R1.17 COCNc1cncnc1 bc5d34e0d8f01ead88e91841539995d3 [0,1,1,0,0,0|2,0,0]=4 202 B10R1.17 COCNc1ncccn1 3760316947979d077818f7dd79f44e4b [0,1,1,0,0,0|2,0,0]=4 203 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [0,1,1,0,0,0|1,0,0]=3 204 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [0,1,1,0,0,0|1,0,0]=3 205 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [0,1,1,0,0,0|1,0,0]=3 206 B10R1.17 COCOc1ccnnc1 5746e5661eb8bdd9f7470ef224e7a8c7 [0,1,1,0,0,0|2,0,0]=4 207 B10R1.17 COCOc1cnccn1 91692ef16c539c2f51ce9f654d4e167a [0,1,1,0,0,0|2,0,0]=4 208 B10R1.17 COCOc1cncnc1 c8928e72aff7270067cebc8e3780eb48 [0,1,1,0,0,0|2,0,0]=4 209 B10R1.17 COCOc1ncccn1 2bd9fff082f7aee48935ad67be70ba10 [0,1,1,0,0,0|2,0,0]=4 210 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [0,1,1,0,0,0|0,1,0]=3 211 B10R1.17 CSCNc1ccccn1 cc0ec9b3c5cc0b5eddbb2cfb429d6e35 [0,1,1,0,0,0|1,1,0]=4 212 B10R1.17 CSCNc1cccnc1 e9d3d08db46089fcfbd01833b3252a03 [0,1,1,0,0,0|1,1,0]=4 213 B10R1.17 CSCNc1ccncc1 b2728812347dbf5a187f75cde2f2f0f7 [0,1,1,0,0,0|1,1,0]=4 214 B10R1.17 CSCOc1ccccn1 af78560ad465f4d707ca132fa83d0e3a [0,1,1,0,0,0|1,1,0]=4 215 B10R1.17 CSCOc1cccnc1 ba5df6f707d429b8683f03b4c7f7b4a6 [0,1,1,0,0,0|1,1,0]=4 216 B10R1.17 CSCOc1ccncc1 4513be07dbfed35afed2a35144dfb259 [0,1,1,0,0,0|1,1,0]=4 217 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [0,1,1,0,0,0|1,0,0]=3 218 B10R1.17 FCCNc1ccccn1 6ab197fb6cbd8dea7ad6d85c80356b58 [0,1,1,0,0,0|2,0,0]=4 219 B10R1.17 FCCNc1cccnc1 948881de1f8cebdb00d3305a89cccf21 [0,1,1,0,0,0|2,0,0]=4 220 B10R1.17 FCCNc1ccncc1 261e26a80d82936049687c2cbf67d868 [0,1,1,0,0,0|2,0,0]=4 221 B10R1.17 FCCOc1ccccn1 06b65dfb48082d4779fc37c34dadb476 [0,1,1,0,0,0|2,0,0]=4 222 B10R1.17 FCCOc1cccnc1 7a88b89adbe5c70a007fa3204bf675ab [0,1,1,0,0,0|2,0,0]=4 223 B10R1.17 FCCOc1ccncc1 7674fd5219d4fad9f3b2390ff6ade4b7 [0,1,1,0,0,0|2,0,0]=4 224 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [0,1,1,0,0,0|1,0,0]=3 225 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [0,1,1,0,0,0|2,0,0]=4 226 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [0,1,1,0,0,0|2,0,0]=4 227 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [0,1,1,0,0,0|2,0,0]=4 228 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [0,1,1,0,0,0|0,0,0]=2 229 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [0,1,1,0,0,0|1,0,0]=3 230 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [0,1,1,0,0,0|1,0,0]=3 231 B10R1.17 FCOCc1cccnn1 be211298f0d8017761d0379df43db85c [0,1,1,0,0,0|2,0,0]=4 232 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [0,1,1,0,0,0|1,0,0]=3 233 B10R1.17 FCOCc1ccncn1 095b77e062a0a54a0c13c35fafab8dee [0,1,1,0,0,0|2,0,0]=4 234 B10R1.17 FCOCc1ccnnc1 4a1d0d881ff603951714ac4c6a9ce218 [0,1,1,0,0,0|2,0,0]=4 235 B10R1.17 FCOCc1cnccn1 a11466f76fde0f26dadf75b6a45d47be [0,1,1,0,0,0|2,0,0]=4 236 B10R1.17 FCOCc1cncnc1 d848736714f42309e73dcca953822687 [0,1,1,0,0,0|2,0,0]=4 237 B10R1.17 FCOCc1ncccn1 01a146b5b6805692958b2312a16de3b5 [0,1,1,0,0,0|2,0,0]=4 238 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [0,1,1,0,0,0|1,0,0]=3 239 B10R1.17 ICCNc1cccnc1 bd2873fb4e8705ac6b2391510b61aca0 [0,1,1,0,0,0|2,0,0]=4 240 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [0,1,1,0,0,0|1,0,1]=4 241 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [0,1,1,0,0,0|1,0,1]=4 242 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [0,1,1,0,0,0|0,0,2]=4 243 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [0,1,1,0,0,0|0,0,2]=4 244 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [0,1,1,0,0,0|0,0,0]=2 245 B10R1.17 OCCNc1ccccn1 14d1f9671b0391e7cf5b318b74673aa8 [0,1,1,0,0,0|1,0,0]=3 246 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [0,1,1,0,0,0|1,0,0]=3 247 B10R1.17 OCCNc1cccnn1 904669d1e67b66fbedf39e30d8f01302 [0,1,1,0,0,0|2,0,0]=4 248 B10R1.17 OCCNc1ccncc1 2d153fc0224e0960cc8e262d108ccf9f [0,1,1,0,0,0|1,0,0]=3 249 B10R1.17 OCCNc1ccncn1 16630884411af81ebaafd51b9ece01ce [0,1,1,0,0,0|2,0,0]=4 250 B10R1.17 OCCNc1ccnnc1 6c844b991ad1b9c7f6f76a597c7a9487 [0,1,1,0,0,0|2,0,0]=4 251 B10R1.17 OCCNc1cnccn1 b8c8b329bec75a99372dd1b5fe38a887 [0,1,1,0,0,0|2,0,0]=4 252 B10R1.17 OCCNc1cncnc1 41f2b3166167c4b3726a258fdaf09eb3 [0,1,1,0,0,0|2,0,0]=4 253 B10R1.17 OCCNc1ncccn1 f239abfea1ae338c0c6b2d47a465751c [0,1,1,0,0,0|2,0,0]=4 254 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [0,1,1,0,0,0|0,0,0]=2 255 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [0,1,1,0,0,0|1,0,0]=3 256 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [0,1,1,0,0,0|1,0,0]=3 257 B10R1.17 OCNCc1cccnn1 ab22a6b6bf709ff19959feb80ebef395 [0,1,1,0,0,0|2,0,0]=4 258 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [0,1,1,0,0,0|1,0,0]=3 259 B10R1.17 OCNCc1ccncn1 e1601b835614d257d03e1a317c6e849b [0,1,1,0,0,0|2,0,0]=4 260 B10R1.17 OCNCc1ccnnc1 b085a3150d717e399252729324dde4be [0,1,1,0,0,0|2,0,0]=4 261 B10R1.17 OCNCc1cnccn1 2e97e3c7cc39869beec41193ed233122 [0,1,1,0,0,0|2,0,0]=4 262 B10R1.17 OCNCc1cncnc1 c9fd3f017cac60092425968f0623c6bf [0,1,1,0,0,0|2,0,0]=4 263 B10R1.17 OCNCc1ncccn1 c2a1de97786ff8120b7277138f237b3a [0,1,1,0,0,0|2,0,0]=4 264 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [0,1,1,0,0,0|0,1,0]=3 265 B10R1.17 SCCNc1ccccn1 de2447df01f4514b4267a28db291424f [0,1,1,0,0,0|1,1,0]=4 266 B10R1.17 SCCNc1cccnc1 d7661b93dffeb3e5de5eb3930ee71345 [0,1,1,0,0,0|1,1,0]=4 267 B10R1.17 SCCNc1ccncc1 577353449c24c89c4540584279fd2c55 [0,1,1,0,0,0|1,1,0]=4 268 B10R1.17 SCCOc1ccccn1 80884e7103538d273738856f1f9d4222 [0,1,1,0,0,0|1,1,0]=4 269 B10R1.17 SCCOc1cccnc1 84b759d60311f3e5695c1f1ffc5005e0 [0,1,1,0,0,0|1,1,0]=4 270 B10R1.17 SCCOc1ccncc1 bcb2c22e459aa7ecd2660e818a75429e [0,1,1,0,0,0|1,1,0]=4 271 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [0,1,1,0,0,0|2,0,0]=4 272 B10R1.180 C=C/C=C/C(=O)NC1CC1 f8bf20722b070cfd430fec827b3fd158 [0,1,1,0,0,0|2,0,0]=4 273 B10R1.180 C=C/C=C\C(=O)NC1CC1 2fca2e0cb7766b311dcdb7053298b176 [0,1,1,0,0,0|2,0,0]=4 274 B10R1.180 C=CC=CC(=O)NC1CC1 7d8d5af0c9a60cf7f610f6de6a5f3eb3 [0,1,1,0,0,0|2,0,0]=4 275 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,1,0,0,0,1|1,0,0]=3 276 B12R2.11 CC1CC1Nc2cccnc2 e0f55178f08b4b2b54d9d876d97d2290 [0,1,0,0,0,1|2,0,0]=4 277 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccc2 25c07123a823d9ea2969aff7da72cef4 [0,1,0,0,0,1|1,0,0]=3 278 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccn2 fc41faec2161d9bc088f35169f0fc9e1 [0,1,0,0,0,1|2,0,0]=4 279 B12R2.11 F[C@@H]1C[C@@H]1Nc2cccnc2 9a55f17e12e7bd55a0d9204d46e602d2 [0,1,0,0,0,1|2,0,0]=4 280 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccncc2 e875be7aa53cc8868d0dc6f2280dccb1 [0,1,0,0,0,1|2,0,0]=4 281 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccc2 b0efbced164dabbe532e6255951097b4 [0,1,0,0,0,1|1,0,0]=3 282 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccn2 fc17ffe1e9ad6aa28e2159d2a121a181 [0,1,0,0,0,1|2,0,0]=4 283 B12R2.11 F[C@@H]1C[C@H]1Nc2cccnc2 0d6be40ecda6b776d8730416c6199b26 [0,1,0,0,0,1|2,0,0]=4 284 B12R2.11 F[C@@H]1C[C@H]1Nc2ccncc2 9a1a1d0be717c0e6f1c430f271f30434 [0,1,0,0,0,1|2,0,0]=4 285 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccc2 e610ffc6a467ed241d6c7f91606b201b [0,1,0,0,0,1|1,0,0]=3 286 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccn2 59b89bc513bfcbe6b29399fe485506d9 [0,1,0,0,0,1|2,0,0]=4 287 B12R2.11 F[C@H]1C[C@@H]1Nc2cccnc2 8475542138490fb913b76b598d12ad5e [0,1,0,0,0,1|2,0,0]=4 288 B12R2.11 F[C@H]1C[C@@H]1Nc2ccncc2 f538efd1a15bc37e881d8b371d907da9 [0,1,0,0,0,1|2,0,0]=4 289 B12R2.94 CC1(CC1)Nc2cccnc2 7578bbb55e576acda721e7cce0ab0877 [0,1,0,0,0,1|2,0,0]=4 290 B12R2.225 Brc1cnccc1NC2CC2 a49044b3c765005b5bfc3f30713c5f76 [0,1,0,0,0,1|2,0,0]=4 291 B12R2.225 Brc1cnccc1OC2CC2 c46ab3fe99ae2978dfdb429935598a79 [0,1,0,0,0,1|2,0,0]=4 292 B12R2.225 Brc1ncccc1OC2CC2 3f469fbe1e71b7986e4cb9fec40ce7b9 [0,1,0,0,0,1|2,0,0]=4 293 B12R2.225 Clc1ccccc1OC2CC2 a4bab8f7130a623ddfe359429eb2845e [0,1,0,0,0,1|1,0,0]=3 294 B12R2.225 Ic1cccnc1NC2CC2 2ce12d1826e4be845ccc349d3cfb47f3 [0,1,0,0,0,1|2,0,0]=4 295 B12R2.225 Ic1ncccc1OC2CC2 3b26f13282054f6b903f3ca94f0a8ced [0,1,0,0,0,1|2,0,0]=4 296 B12R2.225 N=c1ccccn1OC2CC2 06caf32c10ec7a74646bb77bd68ad01d [0,1,0,0,0,1|2,0,0]=4 297 B12R2.225 O=c1cc[nH]cc1NC2CC2 62357ec54cf085a0af17c2d6579f3c13 [0,1,0,0,0,1|2,0,0]=4 298 B12R2.225 O=c1ccccn1OC2CC2 82492f0fb4199d6f841415c7b259a4c2 [0,1,0,0,0,1|2,0,0]=4 299 B12R2.225 O=c1ccocc1OC2CC2 e227e1b9ebfd18d63a3e9500766959b7 [0,1,0,0,0,1|2,0,0]=4 300 B12R2.225 S=c1ccccn1OC2CC2 0cfd15ec056c91634d28a91d78496105 [0,1,0,0,0,1|2,0,0]=4 301 B12R2.225 [O-][n+]1ccccc1NC2CC2 36df9849533d89bff62e8f6e28f1d000 [0,1,0,0,0,1|2,0,0]=4 302 B12R2.294 Cc1ccc(nc1)OC2CC2 9f6af58c9d3137ea63ab98a9845711a3 [0,1,0,0,0,1|2,0,0]=4 303 B12R2.294 Clc1ccc(cn1)OC2CC2 28455e4f6c7ff578720b6b78d9388738 [0,1,0,0,0,1|2,0,0]=4 304 B12R2.294 Fc1ccc(cn1)OC2CC2 daf55823bec2955c7b3c6d9e81d39941 [0,1,0,0,0,1|2,0,0]=4 305 B12R2.294 Fc1ccc(nc1)OC2CC2 99f8ed0e6b200e7fdfa3e0a45a6713c7 [0,1,0,0,0,1|2,0,0]=4 306 B12R2.294 Ic1ccc(nc1)OC2CC2 12433d0c59c33e9faab707f0b3d37172 [0,1,0,0,0,1|2,0,0]=4 307 B12R2.294 O=c1ccc(c[nH]1)NC2CC2 33be8a87d3f12fed44c542b3313058ad [0,1,0,0,0,1|2,0,0]=4 308 B12R2.294 Sc1ccc(cc1)NC2CC2 0824eade139ba6c64308f26ae03b3bd0 [0,1,0,0,0,1|1,0,0]=3 309 B12R2.1286 Brc1cc(ccn1)NC2CC2 8b3ea79886af238a20270a787efef066 [0,1,0,0,0,1|2,0,0]=4 310 B12R2.1286 Brc1cc(ccn1)OC2CC2 e4e5448ed95de3b0645e386d2abf3043 [0,1,0,0,0,1|2,0,0]=4 311 B12R2.1286 Brc1cccc(c1)OC2CC2 86a1316c992baf3081c1c927bc09a287 [0,1,0,0,0,1|1,0,0]=3 312 B12R2.1286 Brc1ccnc(c1)OC2CC2 56f53d4579eb0d345131a470f1333f5b [0,1,0,0,0,1|2,0,0]=4 313 B12R2.1286 Cc1cccc(c1)NC2CC2 5416fc1bda4e7fcd886b594e4b5d1c15 [0,1,0,0,0,1|1,0,0]=3 314 B12R2.1286 Cc1cccc(c1)OC2CC2 c5e41ef21eaec44bf0109887340004b0 [0,1,0,0,0,1|1,0,0]=3 315 B12R2.1286 Clc1cc(ccn1)NC2CC2 01b2b6b943af66e2b09d26736874adad [0,1,0,0,0,1|2,0,0]=4 316 B12R2.1286 Clc1cc(ccn1)OC2CC2 fee64ac62e0ea997eece9d34fa6b670e [0,1,0,0,0,1|2,0,0]=4 317 B12R2.1286 Clc1cccc(c1)NC2CC2 da0b3d09a41ad9d3b62eef57d7091303 [0,1,0,0,0,1|1,0,0]=3 318 B12R2.1286 Clc1cccc(c1)OC2CC2 3517e32596ee199dca8f3a8989d328df [0,1,0,0,0,1|1,0,0]=3 319 B12R2.1286 Clc1cncc(c1)NC2CC2 be14770f6cf1e24ece1016203fee9186 [0,1,0,0,0,1|2,0,0]=4 320 B12R2.1286 Fc1cc(ccn1)NC2CC2 63e98fa5bc2d4452b15d15a38f171d46 [0,1,0,0,0,1|2,0,0]=4 321 B12R2.1286 Fc1cc(ccn1)OC2CC2 2ab2fed4dedd2258e920fffd95dbd7fe [0,1,0,0,0,1|2,0,0]=4 322 B12R2.1286 Fc1cccc(c1)NC2CC2 f9cd48a2521ccf98e9a7217233e95127 [0,1,0,0,0,1|1,0,0]=3 323 B12R2.1286 Fc1cccc(c1)OC2CC2 fd5bcec64f0f04cfa2f0c44c0567737a [0,1,0,0,0,1|1,0,0]=3 324 B12R2.1286 Fc1ccnc(c1)OC2CC2 cb8fe06e3601af9cc6bb580acfbd65f3 [0,1,0,0,0,1|2,0,0]=4 325 B12R2.1286 Fc1cncc(c1)NC2CC2 f621da5d4e70406c889de05f0794e0e0 [0,1,0,0,0,1|2,0,0]=4 326 B12R2.1286 Ic1cccc(c1)OC2CC2 c806530f93f705072682a29e36637503 [0,1,0,0,0,1|1,0,0]=3 327 B12R2.1286 Ic1cncc(c1)NC2CC2 be81df06baf063d77041c9224e0f23e3 [0,1,0,0,0,1|2,0,0]=4 328 B12R2.1286 Ic1cncc(c1)OC2CC2 ab658ce51f422ba768ed6884440f8a54 [0,1,0,0,0,1|2,0,0]=4 329 B12R2.1286 S=c1cc(cc[nH]1)NC2CC2 f7f8334d4bac500aab901b757a671915 [0,1,0,0,0,1|2,0,0]=4 330 B12R2.1286 Sc1cccc(c1)OC2CC2 5fb16c6390673deaae2d1fc21856fb80 [0,1,0,0,0,1|1,0,0]=3 331 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,2,0,0,0,0|1,0,0]=3 332 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,2,0,0,0,0|1,0,0]=3 333 B12R2.27 FCN1CC1c2ccccc2 961cd8c1338ecdce6a27ac300fedcc98 [0,2,0,0,0,0|1,0,0]=3 334 B12R2.27 FCN1C[C@@H]1c2ccccc2 186c23a739812eaa2456c8641683ea36 [0,2,0,0,0,0|1,0,0]=3 335 B12R2.27 O=CN1CC1c2ccccc2 762f19a034f772a367d3e7ac6806d5e0 [0,2,0,0,0,0|1,0,0]=3 336 B12R2.27 O=CN1C[C@@H]1c2ccccc2 3cd739dd6b25e8af9413dc2836c79b56 [0,2,0,0,0,0|1,0,0]=3 337 B12R2.27 OCN1CC1c2ccccc2 380946bf56a518a4f82b6f06607820f1 [0,2,0,0,0,0|1,0,0]=3 338 B12R2.27 OCN1C[C@@H]1c2ccccc2 b0131158d23691f2ccd2899d00b705c5 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [0,0,1,0,1,0|2,0,0]=4 340 B8R1.8 OCNc1ccsc1 baaeacb9206ca69c746a94490c876825 [0,0,1,0,1,0|2,0,0]=4 341 B12R2.2057 c1cc(ccn1)COC2CC2 da3247f4bbaea1ae4c65fbee8045d76d [0,0,0,0,0,2|2,0,0]=4 342 B12R2.2057 c1cc(ccn1)NCC2CC2 849918da92a0c0498a218bfd0f4ee058 [0,0,0,0,0,2|2,0,0]=4 343 B12R2.2057 c1cc(ccn1)OCC2CC2 c00853e2b14f5a610ec89d61eadf6a66 [0,0,0,0,0,2|2,0,0]=4 344 B12R2.2057 c1ccc(cc1)CNC2CC2 0722218fcfefdcb8b8f0e8dc60326858 [0,0,0,0,0,2|1,0,0]=3 345 B12R2.2057 c1ccc(cc1)COC2CC2 4f6efb1abdd284b3ec5fbe724b10a332 [0,0,0,0,0,2|1,0,0]=3 346 B12R2.2057 c1ccc(cc1)NCC2CC2 14003b7d6af1ed476ecb017534f042ad [0,0,0,0,0,2|1,0,0]=3 347 B12R2.2057 c1ccc(nc1)CNC2CC2 072625a4614190be9cbf10388fa5861b [0,0,0,0,0,2|2,0,0]=4 348 B12R2.2057 c1ccc(nc1)COC2CC2 abde439d2a0ddaaa61aa7afca3b1da4d [0,0,0,0,0,2|2,0,0]=4 349 B12R2.2057 c1ccc(nc1)NCC2CC2 a4bb220accadbaa000279249a4daf5cf [0,0,0,0,0,2|2,0,0]=4 350 B12R2.2057 c1ccc(nc1)OCC2CC2 05ede210d3ae4cc4a2c3f7154d855ada [0,0,0,0,0,2|2,0,0]=4 351 B12R2.2057 c1cncc(c1)CNC2CC2 de74061854556603c3b7f6c7b31bcca1 [0,0,0,0,0,2|2,0,0]=4 352 B12R2.2057 c1cncc(c1)COC2CC2 4f1f4bbe9c5cccaf786a2469b1a1b939 [0,0,0,0,0,2|2,0,0]=4 353 B12R2.2057 c1cncc(c1)NCC2CC2 116af6c2af65d4c96c0cfbf27938bace [0,0,0,0,0,2|2,0,0]=4 354 B12R2.2057 c1cncc(c1)OCC2CC2 6e3515b4fef3884dcd9b31bc8938b0e1 [0,0,0,0,0,2|2,0,0]=4 355 B12R2.2058 c1cc(ccn1)NC2CCC2 ff52b84334e7a4aaf2d6969c56a15034 [0,0,0,0,0,2|2,0,0]=4 356 B12R2.2058 c1cc(ccn1)NC2COC2 14d953918d7dcb02ab6c12f780d085b6 [0,0,0,0,0,2|1,0,0]=3 357 B12R2.2058 c1cc(ccn1)OC2COC2 bdc70c71b5050b9cdb045af1479dc30f [0,0,0,0,0,2|1,0,0]=3 358 B12R2.2058 c1cc(cnn1)NC2COC2 832de64a070e45283ca4c8c704290819 [0,0,0,0,0,2|2,0,0]=4 359 B12R2.2058 c1cc(cnn1)OC2COC2 1cdf19e114e99f8966fbb5da824c5c85 [0,0,0,0,0,2|2,0,0]=4 360 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [0,0,0,0,0,2|2,0,0]=4 361 B12R2.2058 c1ccc(cc1)NC2COC2 638d2081ed3e07246cd09300ecb8f6dc [0,0,0,0,0,2|0,0,0]=2 362 B12R2.2058 c1ccc(nc1)NC2CCC2 fb43cdd397450ab6a78add51a3593170 [0,0,0,0,0,2|2,0,0]=4 363 B12R2.2058 c1ccc(nc1)OC2CCC2 01ad94c84aae3cf4e74cc0f7661c85b5 [0,0,0,0,0,2|2,0,0]=4 364 B12R2.2058 c1ccc(nc1)OC2COC2 e57c93d451b0b6b991d0fd1596a311ca [0,0,0,0,0,2|1,0,0]=3 365 B12R2.2058 c1cnc(nc1)NC2COC2 9193c846df9ff55a5933be2d90f6c6ee [0,0,0,0,0,2|2,0,0]=4 366 B12R2.2058 c1cncc(c1)NC2CCC2 dd91e6f1e99e09367d72a057d00ff1a5 [0,0,0,0,0,2|2,0,0]=4 367 B12R2.2058 c1cncc(c1)NC2COC2 2aae7bd2fd3ce1179be00cfde2c027d7 [0,0,0,0,0,2|1,0,0]=3 368 B12R2.2058 c1cncc(c1)OC2CCC2 7a6fdcb9cb0be6f7ba06c65562ff0c48 [0,0,0,0,0,2|2,0,0]=4 369 B12R2.2058 c1cncc(c1)OC2COC2 a8dd711f09c8c96411b2f1503a563f21 [0,0,0,0,0,2|1,0,0]=3 370 B12R2.2 c1ccc(cc1)c2ccco2 67d5bff31c39591a62f72fefb1796923 [0,0,0,0,0,2|0,0,2]=4 371 B12R2.2 c1ccc(cc1)c2ccno2 43e56304d00da0163b84bc8aac75bf60 [0,0,0,0,0,2|0,0,2]=4 372 B12R2.2 c1ccc(cc1)c2ccoc2 943a3166e2c0d8deacea159f1af77584 [0,0,0,0,0,2|0,0,2]=4 373 B12R2.2 c1ccc(cc1)c2ccon2 f5a7154212377e56a115aa8bde828f0c [0,0,0,0,0,2|0,0,2]=4 374 B12R2.2 c1ccc(cc1)c2cnco2 2e69350309650d294610cdfd138ca5ee [0,0,0,0,0,2|0,0,2]=4 375 B12R2.2 c1ccc(cc1)c2cnoc2 a10948557e486353e1e9efd1544a1b7a [0,0,0,0,0,2|0,0,2]=4 376 B12R2.2 c1ccc(cc1)c2cocn2 42a4e4263f73296e3c97d861c51c0e74 [0,0,0,0,0,2|0,0,2]=4 377 B12R2.2 c1ccc(cc1)c2ncco2 a0fc7771bcc722874649153b6d011e45 [0,0,0,0,0,2|0,0,2]=4 378 B12R2.2 c1ccc(cc1)c2nnco2 b0f9906170d0b6f7766656d1bdbf553a [0,0,0,0,0,2|0,0,2]=4