0 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|3,0,0]=4 2 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|3,0,0]=4 3 B11R1.22 CCN(C)c1ccc(cn1)C 09e547625bc47d07ffa7b31de636862b [0,1,0,0,0,0|3,0,0]=4 4 B11R1.22 CN(C=O)c1ccc(cc1)Br 9862ed13c945c79fb65fa51787bd2093 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.22 CN(C=O)c1ccc(cc1)Cl d432c23837319192897a660c45f339ba [0,1,0,0,0,0|2,0,0]=3 6 B11R1.22 CN(C=O)c1ccc(cc1)F f939c668a8e6f39bb7cc93a9ebd979dd [0,1,0,0,0,0|2,0,0]=3 7 B11R1.22 CN(C=O)c1ccc(cc1)I 86b31576c767147a57657625de6a4cf6 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [0,1,0,0,0,0|2,0,0]=3 9 B11R1.22 CN(C=O)c1ccc(cc1)S f07b31b3eaa976c4ece94ae29131a1b8 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.22 CN(C=O)c1ccc(cn1)Br 7f8da10581ce5ca8a37f373d42765e26 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.22 CN(C=O)c1ccc(cn1)Cl eb3549718b5ca2b8a891721b0fccec81 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CN(C=O)c1ccc(cn1)F ccd5b3b4d2abee8b59e402f73866a88d [0,1,0,0,0,0|3,0,0]=4 13 B11R1.22 CN(C=O)c1ccc(cn1)I f3706e1edae5d726765a21baeac8b53e [0,1,0,0,0,0|3,0,0]=4 14 B11R1.22 CN(C=O)c1ccc(nc1)Br 02e6c8c88fc8f9a945078432f838505c [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 CN(C=O)c1ccc(nc1)Cl bd70684891af49b44bb911ed20ab21a5 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.22 CN(C=O)c1ccc(nc1)F 6e5f29d7bc3545ed6e42f58e9071f45e [0,1,0,0,0,0|3,0,0]=4 17 B11R1.22 CN(CF)c1ccc(cc1)Br 6b91b8da88ddbfb295c2dccdb6cb4076 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.22 CN(CF)c1ccc(cc1)Cl 0c4cb302bade12f5a411b01a9042b3ea [0,1,0,0,0,0|3,0,0]=4 19 B11R1.22 CN(CF)c1ccc(cc1)F 7a7162e57e22a4f5e6a55d2c6d204d3d [0,1,0,0,0,0|3,0,0]=4 20 B11R1.22 CN(CF)c1ccc(cc1)I 6d998585b1c8e8e7964bc459bdd74230 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.22 CN(CF)c1ccc(cc1)S 790104648dfcde077abfb3f2fb190f26 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.22 CN(CO)c1ccc(cc1)Br a0ee612d9ade0f057f40eda0edee63d6 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.22 CN(CO)c1ccc(cc1)Cl 2c0dfaf13b4e02b467d222656644d816 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.22 CN(CO)c1ccc(cc1)F c1ecf99a3d9f55a2562607c88c44d1b8 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.22 CN(CO)c1ccc(cc1)I 148086324dd93cd760089e4e94a122ba [0,1,0,0,0,0|2,0,1]=4 26 B11R1.22 CN(CO)c1ccc(cc1)S 7e6f64a1230a5e349b82adbdac7f2cd1 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [0,1,0,0,0,0|1,0,0]=2 28 B11R1.22 Cc1ccc(cc1)N(C)CF d9ca75efcf22688224e11802328b1cd1 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 Cc1ccc(cn1)N(C)CF 2546e77743898b53bffb42ed8663c755 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 Cc1ccc(nc1)N(C)C=O e97e84386efd05e00da987d65e1de257 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.22 Cc1ccc(nc1)N(C)CF 87b56741bfd3e97e56f977017007d6d4 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.22 Cc1ccc(nc1)N(C)CO 70554dbd3962e7f10de375b087560d11 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 Cc1cnc(cn1)N(C)C=O 629909b64e721791a7f7f5c721219694 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.7 C=C(C)CNC(=O)C(=O)C d8a1cea601efd30470d9f7f5b4ee577c [0,0,1,0,0,0|2,0,1]=4 37 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,0,0,0,0,1|0,0,0]=1 38 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,0,0,0,0,1|1,0,0]=2 39 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,0,0,0,0,1|1,0,0]=2 40 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,0,0,0,0,1|1,0,0]=2 41 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,0,0,0,0,1|1,0,0]=2 42 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,0,0,0,0,1|1,0,0]=2 43 B11R1.20 CC(=O)Nc1ccc(cn1)F 3f83a13c2f6c9200683a59445f5568b5 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.20 CC(=O)Nc1ccc(cn1)I f69d5717020ba5469ac098b5ee595c2e [0,0,0,0,0,1|2,0,0]=3 45 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [0,0,0,0,0,1|2,0,0]=3 46 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,0,0,0,0,1|1,0,0]=2 47 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,0,0,0,0,1|2,0,0]=3 49 B11R1.20 CC(=O)Nc1ccc(nn1)C 2db771cb7b1752060e5ab3d9558a55a5 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.20 CC(=O)Nc1ccc(nn1)F fc0d35190b7248272f72c3b72d04d6de [0,0,0,0,0,1|3,0,0]=4 51 B11R1.20 CC(=O)Nc1ccc(nn1)I 103ba66fdc9246aa4c61c11e7f6e8337 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.20 CC(=O)Nc1ccc(nn1)O 446c9b33355b6db90284ef3ae74ace6f [0,0,0,0,0,1|3,0,0]=4 53 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,0,0,0,0,1|2,0,0]=3 54 B11R1.20 CC(=O)Nc1cnc(cn1)I 21bc22ad112fe01077ff258cec8c3b14 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.20 CC(C)Nc1ccc(cc1)Br e5f70783ec71726153c102e5801f7c8a [0,0,0,0,0,1|2,0,1]=4 56 B11R1.20 CC(C)Nc1ccc(cc1)Cl b33a847c825901d9dbcf3f8815c5869c [0,0,0,0,0,1|2,0,1]=4 57 B11R1.20 CC(C)Nc1ccc(cc1)F 689ddbde83a9a9429aa2388668fed19a [0,0,0,0,0,1|2,0,1]=4 58 B11R1.20 CC(C)Nc1ccc(cc1)I fa67ab606e8380aaae6be79fda5faf68 [0,0,0,0,0,1|2,0,1]=4 59 B11R1.20 CC(C)Nc1ccc(cc1)S e681327c1f8eccf785cd674735bc98be [0,0,0,0,0,1|2,0,1]=4 60 B11R1.20 CC(C)Oc1ccc(cc1)Br c830042d81f1762ab02a381b9eac79a4 [0,0,0,0,0,1|2,0,1]=4 61 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7f20d83f4f9b33a7fd797ee07caaf887 [0,0,0,0,0,1|2,0,1]=4 62 B11R1.20 CC(C)Oc1ccc(cc1)F 4b3257094d99fffc8c1b5f1ead656595 [0,0,0,0,0,1|2,0,1]=4 63 B11R1.20 CC(C)Oc1ccc(cc1)I d09c2b32d485e0c585ea84ecec015274 [0,0,0,0,0,1|2,0,1]=4 64 B11R1.20 CC(C)Oc1ccc(cc1)S bc2b7db7696d219aecddb9042131dcc3 [0,0,0,0,0,1|2,0,1]=4 65 B11R1.20 Cc1ccc(cc1)NC(C)C bd77af8bd7263855741bad7d9283a59e [0,0,0,0,0,1|1,0,1]=3 66 B11R1.20 Cc1ccc(cc1)OC(C)C afaa4b057d8f12ac5846fcc0accc69e4 [0,0,0,0,0,1|1,0,1]=3 67 B11R1.20 Cc1ccc(cn1)NC(C)C 743454483328eed9afd36a5108a5fde3 [0,0,0,0,0,1|2,0,1]=4 68 B11R1.20 Cc1ccc(cn1)OC(C)C 587bf2eefeb78be461683015f0e1ab8b [0,0,0,0,0,1|2,0,1]=4 69 B11R1.20 Cc1ccc(nc1)NC(C)C 2fd0646075e4e7895badb9a91550ac5c [0,0,0,0,0,1|2,0,1]=4 70 B11R1.20 Cc1ccc(nc1)OC(C)C daaa0dc9632c23fcd00a8fbb104724aa [0,0,0,0,0,1|2,0,1]=4 71 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [1,0,1,0,0,0|1,0,1]=4 72 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|0,0,1]=3 74 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|1,0,1]=4 76 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|0,0,1]=3 82 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|1,0,1]=4 84 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,1,0,0,0,0|1,0,1]=4 88 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,1,0,0,0,0|1,0,0]=3 92 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,1,0,0,0,0|1,0,0]=3 93 B10R1.1 Cc1ccc(cn1)NCF f847d1a4bbb87566340c9e5a24558a24 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.1 Cc1ccc(cn1)NCO fd814a39a039a510f879e6acc6bae8ec [1,1,0,0,0,0|2,0,0]=4 95 B10R1.1 Cc1ccc(cn1)OCF 74689607a43c2a9e18ce0cd22a8d942d [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 Cc1ccc(nc1)NCF fe6e1acd0e3bc2d9ee7e6564901f4999 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.1 Cc1ccc(nc1)NCO a3d787a21cbcad7f0f8fd58a7dfe7945 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 Cc1ccc(nc1)OCF 17072532157ece6c6315bad9dab956ea [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 Cc1ccc(nn1)NC=O a0c3d2b6c57084a347604d5a876b8f5b [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 Cc1cnc(cn1)NC=O e9e57b2c428d760f4b8aeaa154812af8 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 Cc1ncc(cn1)NC=O 37d565fb8ea2c9e131f98e0f4c687cdb [1,1,0,0,0,0|2,0,0]=4 103 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,1,0,0,0,0|2,0,0]=4 106 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,1,0,0,0,0|2,0,0]=4 108 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,1,0,0,0,0|2,0,0]=4 110 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,1,0,0,0,0|2,0,0]=4 111 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,1,0,0,0,0|2,0,0]=4 113 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [1,1,0,0,0,0|2,0,0]=4 119 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [1,1,0,0,0,0|2,0,0]=4 120 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [1,1,0,0,0,0|2,0,0]=4 121 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [1,1,0,0,0,0|2,0,0]=4 123 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|2,0,0]=4 126 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [1,1,0,0,0,0|2,0,0]=4 131 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [1,1,0,0,0,0|2,0,0]=4 134 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 463453bc22804ab9566c3891bab41767 [0,1,0,0,0,1|0,0,1]=3 135 B12R1.4 C#Cc1ccc(cn1)NC(=O)C a50283293b3d8ee92f48710b2584c533 [0,1,0,0,0,1|1,0,1]=4 136 B12R1.4 C#Cc1ccc(nc1)NC(=O)C 1f25d0464f0f37e69c9e39b71c43c19d [0,1,0,0,0,1|1,0,1]=4 137 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,1,0,0,0,1|0,0,1]=3 138 B12R1.4 C=Cc1ccc(nc1)NC(=O)C f4ae3192f2768a21e305e86a5ca1826c [0,1,0,0,0,1|1,0,1]=4 139 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,1,0,0,0,1|0,0,1]=3 140 B12R1.4 CC(=O)Nc1ccc(cc1)CO 64a0fcf83ab5804ecc6b06daa915b61a [0,1,0,0,0,1|0,0,0]=2 141 B12R1.4 CC(=O)Nc1ccc(cn1)C#N 0d5684bffa58d141169df837cfc4a2d7 [0,1,0,0,0,1|1,0,1]=4 142 B12R1.4 CC(=O)Nc1ccc(cn1)C=O 07c27ee782d250b37088a4ef3a24f42a [0,1,0,0,0,1|1,0,1]=4 143 B12R1.4 CC(=O)Nc1ccc(cn1)CCl d22141e67fec5f62acd52e931ed5bbf9 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.4 CC(=O)Nc1ccc(cn1)CO 65c6c62a0fe931d99608c37d0887213d [0,1,0,0,0,1|1,0,0]=3 145 B12R1.4 CC(=O)Nc1ccc(nc1)C#N f96e42bbd48caced6410f3b8995a76cb [0,1,0,0,0,1|1,0,1]=4 146 B12R1.4 CC(=O)Nc1ccc(nc1)C=O 49e7cf4a9ba9e149eb2971e237e58703 [0,1,0,0,0,1|1,0,1]=4 147 B12R1.4 CC(=O)Nc1ccc(nc1)CO 35427dfb08c7f7c66c2665d0fb99e721 [0,1,0,0,0,1|1,0,0]=3 148 B12R1.4 CC(C)Nc1ccc(cc1)CO 2893829c5855e3498ec30daf5a92b3f9 [0,1,0,0,0,1|1,0,1]=4 149 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,1,0,0,0,1|0,0,0]=2 150 B12R1.4 CCc1ccc(cc1)NC(C)C 3ed99f3debb7261e07191e58d03b9e98 [0,1,0,0,0,1|1,0,1]=4 151 B12R1.4 CCc1ccc(cc1)OC(C)C c47fe5ab2b90199662fd8ab843de2974 [0,1,0,0,0,1|1,0,1]=4 152 B12R1.4 CCc1ccc(cn1)NC(=O)C 8dece4d59586f361bbe516f34ac8d51b [0,1,0,0,0,1|1,0,0]=3 153 B12R1.4 CCc1ccc(nc1)NC(=O)C 23bdba8492b5cf30010461953df2aaf1 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.4 CCc1ccc(nn1)NC(=O)C 504a3568bdb79be1704f7a57fd2e7503 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.4 CCc1cnc(cn1)NC(=O)C f3926fa609968aae653ec5ff720d75c5 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,1,0,0,0,1|0,0,0]=2 157 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,1,0,0,0,1|1,0,1]=4 158 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,1,0,0,0,1|1,0,1]=4 159 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,1,0,0,0,1|1,0,0]=3 160 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,1,0,0,0,1|1,0,0]=3 161 B12R1.4 COc1ccc(nn1)NC(=O)C 063cfb8c8c13efcfc794635ea6dd9b6d [0,1,0,0,0,1|2,0,0]=4 162 B12R1.4 COc1cnc(cn1)NC(=O)C 6a8142d888f641ffe240e63bb5462052 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,1,0,0,0,1|0,0,0]=2 164 B12R1.4 CSc1ccc(cc1)NC(C)C 8046d202268d2a850a12d3ac6096b479 [0,1,0,0,0,1|1,0,1]=4 165 B12R1.4 CSc1ccc(cc1)OC(C)C e0501229b5d29bc5e4bd3d8921e409c4 [0,1,0,0,0,1|1,0,1]=4 166 B12R1.4 CSc1ccc(cn1)NC(=O)C 7d368dd74cbbf77f689a4d770f9114b0 [0,1,0,0,0,1|1,0,0]=3 167 B12R1.19 CC(=O)Nc1cc(=O)n(cn1)C 761e70a5ff9e3f4bfd3f405ff73c2b22 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.19 CC(=O)Nc1cc(c(cn1)C)F 660b7a10ced3eb132122c0332851b643 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.19 CC(=O)Nc1cc(c(cn1)F)F 986ba2a0d6e3a5cf1f83df070528a6c6 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.19 CC(=O)Nc1cc(c(cn1)F)I 4e612c1e40b964ba21a327fb570d5bb5 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.19 CC(=O)Nc1cc(c(cn1)I)F 6ca84dfa7d9dc43f296bad5cbb043bb2 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.19 CC(=O)Nc1ccc(=O)n(c1)C bed93d47c9f7a1be46bb9b96ae5a29c1 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 86f20b792aad100bfd286ed2d5252ae6 [0,1,0,0,0,1|0,0,0]=2 174 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 7ee0d2dd2caa0515721d628874a5eba8 [0,1,0,0,0,1|1,0,0]=3 175 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O bdf455de7f67f140e539b2a142a95050 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F b713227e57e5e0503b823eb923ba0bb5 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I ed7a90185e2681cd802ad566e9d181d0 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 077b9fef8ae29c7d9e54117a0c9ba5b0 [0,1,0,0,0,1|0,0,0]=2 179 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 27fccb6a0a453f560891cad39d1c2e32 [0,1,0,0,0,1|1,0,0]=3 180 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F a02ebd1b1ff575c5cb5c287a1cb034b6 [0,1,0,0,0,1|1,0,0]=3 181 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 8348abe71ed8b00c39a42ad756a31a70 [0,1,0,0,0,1|1,0,0]=3 182 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 8de04df611312cd3db337fdb037522c8 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 95d09872727ecac138e510aecae92433 [0,1,0,0,0,1|0,0,0]=2 184 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 9cefd6ca8bedf7d6cd1c0d523b7fd2f5 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F ee7d621fa2b39c3d2264714bf88246f5 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O e86cd223d163889dbab241f77f4fc543 [0,1,0,0,0,1|1,0,0]=3 187 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C ed3b3ae7fb032b9e27879eb4fba48feb [0,1,0,0,0,1|0,0,0]=2 188 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F bde12d182329f10baf81e8a06f263003 [0,1,0,0,0,1|1,0,0]=3 189 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 7aba9e2634fc6f8640c1b7b925c89ee4 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.19 CC(=O)Nc1ccc(c(n1)C)C 7f1a02ca4722e9a283b227f8e32b3179 [0,1,0,0,0,1|1,0,0]=3 191 B12R1.19 CC(=O)Nc1ccc(c(n1)C)F dde26f284dfbeaa33603d3418e620ede [0,1,0,0,0,1|2,0,0]=4 192 B12R1.19 CC(=O)Nc1ccc(c(n1)C)I 2c88f425bf4349ea67c01fcaea2bd614 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.19 CC(=O)Nc1ccc(c(n1)Cl)C 351ca5a2dece70aaeeebe3b7f58e10e8 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.19 CC(=O)Nc1ccc(c(n1)Cl)Cl 27b01a2f81a117ba44aae58e3e531c8a [0,1,0,0,0,1|2,0,0]=4 195 B12R1.19 CC(=O)Nc1ccc(c(n1)Cl)F 540f3b7c6e1225596e5ff82ab4389b3e [0,1,0,0,0,1|2,0,0]=4 196 B12R1.19 CC(=O)Nc1ccc(c(n1)Cl)I 161f06ec89f015e5b3ffb8308251c742 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.19 CC(=O)Nc1ccc(c(n1)F)C b44466ba08ef39eaed80a1e8cbe3cd22 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.19 CC(=O)Nc1ccc(c(n1)I)F 56fa34a9c059bcdc62cc2ea59ebcab05 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.19 CC(=O)Nc1ccn(c(=O)c1)C dafda135b998fdfbe94bb4c480b2a7cd [0,1,0,0,0,1|1,0,0]=3 200 B12R1.19 CC(=O)Nc1ccn(c(=O)n1)C 426ea930f0fcc7cad181d71f40918a2d [0,1,0,0,0,1|2,0,0]=4 201 B12R1.19 CC(=O)Nc1cnc(c(c1)C)C c14665ad6dd67c16af2d80e16d7f5474 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.19 CC(=O)Nc1cnc(c(c1)C)F 462f3d574de33a20a010a2c433e9f58c [0,1,0,0,0,1|2,0,0]=4 203 B12R1.19 CC(=O)Nc1cnc(c(c1)C)O 9ea7c01c8dbb4e2e61ae125ae558d802 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.19 CC(=O)Nc1cnc(c(c1)F)C 069e53c5114559bee80da8f36a1ae68b [0,1,0,0,0,1|1,0,0]=3 205 B12R1.19 CC(=O)Nc1cnc(c(c1)F)F decef4d9291f5bc2becaa98a5def6704 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.19 CC(=O)Nc1cnc(c(c1)F)I 4411480c748a4823a2ed3321ccea1d87 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.19 CC(=O)Nc1cnc(c(c1)F)O 792cd746ae0e82c4901b93059ea1bcb4 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.19 CC(=O)Nc1cnc(c(c1)I)Cl 986439e4ccf70f6c93b246cf0f2beb8a [0,1,0,0,0,1|2,0,0]=4 209 B12R1.19 CC(=O)Nc1cnc(c(n1)C)C 7c736250fc800293949642fb3ae060d5 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.19 CC(=O)Nc1cnn(c(=O)c1)C 76a88851d4e521c98b72a982c7f6393e [0,1,0,0,0,1|2,0,0]=4 211 B12R1.19 Cc1ccc(cc1Br)OC(C)C 48e2c36b3f8a3e1510a45e4801cd7635 [0,1,0,0,0,1|1,0,1]=4 212 B12R1.19 Cc1ccc(cc1C)NC(C)C e4751a96d9568eaa5a2dcd25f8d61305 [0,1,0,0,0,1|1,0,1]=4 213 B12R1.19 Cc1ccc(cc1C)OC(C)C f234b68a68ae452039f940a2d00ccb8a [0,1,0,0,0,1|1,0,1]=4 214 B12R1.19 Cc1ccc(cc1Cl)NC(C)C fd633490d2ff2f9221f61ce9791df4d9 [0,1,0,0,0,1|1,0,1]=4 215 B12R1.19 Cc1ccc(cc1Cl)OC(C)C fe675a90fb8bba04b727e29add6472ea [0,1,0,0,0,1|1,0,1]=4 216 B12R1.19 Cc1ccc(cc1F)NC(C)C 33608cba90c31a0a726e2554d574bab3 [0,1,0,0,0,1|1,0,1]=4 217 B12R1.19 Cc1ccc(cc1F)OC(C)C 8a4dc41dac23453bb24010bb9a1a9523 [0,1,0,0,0,1|1,0,1]=4 218 B12R1.19 Cc1ccc(cc1I)NC(C)C 8890cefeca6b8dbb795bd737a74a1e6d [0,1,0,0,0,1|1,0,1]=4 219 B12R1.19 Cc1ccc(cc1I)OC(C)C 3b8932395a5e9b211ec6d650a41e634f [0,1,0,0,0,1|1,0,1]=4 220 B12R1.20 CC(=O)N(C)c1ccc(cc1)C bcc16cd28e7607a6ed49651a98525a59 [0,1,0,0,0,1|0,0,0]=2 221 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 4527b0d13f503bbb045589a99edc841a [0,1,0,0,0,1|1,0,0]=3 222 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 37d34db01fbe3b47709ae105489b99d9 [0,1,0,0,0,1|1,0,0]=3 223 B12R1.20 CC(=O)N(C)c1ccc(cc1)S 2ad77fe8a37a5fd09eac6ab3959987a9 [0,1,0,0,0,1|1,0,0]=3 224 B12R1.20 CC(=O)N(C)c1ccc(cn1)Br 01da8a4ebc80d487db86be4051987cdc [0,1,0,0,0,1|2,0,0]=4 225 B12R1.20 CC(=O)N(C)c1ccc(cn1)C 1dc8982ac5c2b79d81f058ce71167b40 [0,1,0,0,0,1|1,0,0]=3 226 B12R1.20 CC(=O)N(C)c1ccc(cn1)Cl 39d0778b62399f82923a24e42d285563 [0,1,0,0,0,1|2,0,0]=4 227 B12R1.20 CC(=O)N(C)c1ccc(cn1)F 5777a6aac9216fb8f2f511dc9e2b5d6c [0,1,0,0,0,1|2,0,0]=4 228 B12R1.20 CC(=O)N(C)c1ccc(cn1)I b9544feea09a544696f1af28d9325224 [0,1,0,0,0,1|2,0,0]=4 229 B12R1.20 CC(=O)N(C)c1ccc(nc1)C 3899a623cacbb1ea46b2d8abfc4c3a16 [0,1,0,0,0,1|1,0,0]=3 230 B12R1.20 CC(=O)N(C)c1ccc(nc1)Cl 24b5f184de66d378ce0bdab705ccf38a [0,1,0,0,0,1|2,0,0]=4 231 B12R1.20 CC(=O)N(C)c1ccc(nc1)F 63bbbad269689440ac7fb7b2fe8092ed [0,1,0,0,0,1|2,0,0]=4 232 B12R1.20 CC(=O)N(C)c1cnc(cn1)C 1c120b3ff3e234b23a5affb902387cd9 [0,1,0,0,0,1|2,0,0]=4 233 B12R1.49 C#CC(=O)Nc1ccc(cc1)C ace77eb590c7a9e38589e3663e368373 [0,1,0,0,0,1|0,0,1]=3 234 B12R1.49 C#CC(=O)Nc1ccc(cc1)F 9ff37543b1e255de7bc1a5bea6369b0c [0,1,0,0,0,1|1,0,1]=4 235 B12R1.49 C#CC(=O)Nc1ccc(cc1)I a513f84544e8c665d559733003b7b511 [0,1,0,0,0,1|1,0,1]=4 236 B12R1.49 C#CC(=O)Nc1ccc(cc1)O 2919883b2a2b3f4cd41342ad4259b466 [0,1,0,0,0,1|1,0,1]=4 237 B12R1.49 C#CC(=O)Nc1ccc(cc1)S 782ce90740b106c0d6e3248ef3a27009 [0,1,0,0,0,1|1,0,1]=4 238 B12R1.49 C#CC(=O)Nc1ccc(cn1)C a63e03b56b3a083231ba2fec81f653db [0,1,0,0,0,1|1,0,1]=4 239 B12R1.49 C#CC(=O)Nc1ccc(nc1)C 599d76f450d46d65781207806d059b06 [0,1,0,0,0,1|1,0,1]=4 240 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 6cecec7955feef2076bf8351c0460270 [0,1,0,0,0,1|1,0,1]=4 241 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 2bb9c415f93b91b1fc81d811241ce339 [0,1,0,0,0,1|0,0,1]=3 242 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 52f6038791beadcf2443ea721c275a78 [0,1,0,0,0,1|1,0,1]=4 243 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 705a7bd65ef53db87c3ccc3667181fd2 [0,1,0,0,0,1|1,0,1]=4 244 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 33b107a2733fcd228990a0271285ccb8 [0,1,0,0,0,1|1,0,1]=4 245 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 4e8fbb1ed030dd9d83f4fcdb7e73d74f [0,1,0,0,0,1|1,0,1]=4 246 B12R1.49 C=CC(=O)Nc1ccc(cc1)S aee5e347f86bd4454672bdd2818d9731 [0,1,0,0,0,1|1,0,1]=4 247 B12R1.49 C=CC(=O)Nc1ccc(cn1)C 5517e88ccb7c931cddc89956e9e6e306 [0,1,0,0,0,1|1,0,1]=4 248 B12R1.49 C=CC(=O)Nc1ccc(nc1)C 90bfb13435b068138f97d3f010060e93 [0,1,0,0,0,1|1,0,1]=4 249 B12R1.49 C=CC(C)Nc1ccc(cc1)C 0488a2d9d6404f33ce90d4230eb23cab [0,1,0,0,0,1|1,0,1]=4 250 B12R1.49 C=CC(C)Oc1ccc(cc1)C 23b50949d0ed4622ff3350a650649a98 [0,1,0,0,0,1|1,0,1]=4 251 B12R1.49 CC(C=O)Nc1ccc(cc1)Br 0b5aa495fe35d339e0a42d586abdd9e9 [0,1,0,0,0,1|1,0,1]=4 252 B12R1.49 CC(C=O)Nc1ccc(cc1)Cl 4e5b79d1ad83a88f8820fd2e86f0fb86 [0,1,0,0,0,1|1,0,1]=4 253 B12R1.49 CC(C=O)Nc1ccc(cc1)F 5684754fe181f7994ecf244d7faa13bf [0,1,0,0,0,1|1,0,1]=4 254 B12R1.49 CC(C=O)Nc1ccc(cc1)I ccff2f2e9987c01434a0f0fdad935e2c [0,1,0,0,0,1|1,0,1]=4 255 B12R1.49 CC(C=O)Nc1ccc(cc1)S 4ed1c3cd9e4fa22f3944755b2442a838 [0,1,0,0,0,1|1,0,1]=4 256 B12R1.49 CC(C=O)Oc1ccc(cc1)Br 95e95ee3a48905ba5f9045bfec61520c [0,1,0,0,0,1|1,0,1]=4 257 B12R1.49 CC(C=O)Oc1ccc(cc1)Cl f1b9ef83945eb43116fda33fc5f1d9c5 [0,1,0,0,0,1|1,0,1]=4 258 B12R1.49 CC(C=O)Oc1ccc(cc1)F 6d7985a64825be68afd5f733eb20e88f [0,1,0,0,0,1|1,0,1]=4 259 B12R1.49 CC(C=O)Oc1ccc(cc1)I 5c06b2f5f60433bfdbc232af800e78a4 [0,1,0,0,0,1|1,0,1]=4 260 B12R1.49 CC(C=O)Oc1ccc(cc1)S 5313ec236558d5ec496e77bc1ae8f1ff [0,1,0,0,0,1|1,0,1]=4 261 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|0,0,0]=2 262 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|1,0,0]=3 263 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|1,0,0]=3 264 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|1,0,0]=3 265 B12R1.49 CCC(=O)Nc1ccc(cn1)C dc8f930a05abd2a9e068e6a02b9ef806 [0,1,0,0,0,1|1,0,0]=3 266 B12R1.49 CCC(=O)Nc1ccc(cn1)Cl 0b839e794f2c1bf7425f5ed24378f3db [0,1,0,0,0,1|2,0,0]=4 267 B12R1.49 CCC(=O)Nc1ccc(cn1)F b43a76b39a00c0ed1f501a2e3d3ad7c0 [0,1,0,0,0,1|2,0,0]=4 268 B12R1.49 CCC(=O)Nc1ccc(cn1)I ccc68c0ad462881fdefbf82d4a878bdb [0,1,0,0,0,1|2,0,0]=4 269 B12R1.49 CCC(=O)Nc1ccc(cn1)O 5923874205a8d7f3bceda9e8b97faed2 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.49 CCC(=O)Nc1ccc(nn1)C 715029b66e5fd47f4e31f1f81f440202 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.49 CCC(=O)Nc1cnc(cn1)C e3c1001098ee8f2f716ee76291152d7b [0,1,0,0,0,1|2,0,0]=4 272 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [0,1,0,0,0,1|1,0,1]=4 273 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [0,1,0,0,0,1|1,0,1]=4 274 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.49 CN(C=O)Cc1ccc(cc1)Br 87bc57820184054248c482743af343a7 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.49 CN(C=O)Cc1ccc(cc1)Cl 40d69582b1cb881b7a2339c72a44ee76 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.49 CN(C=O)Cc1ccc(cc1)F 0aaf62dd7593e1c678dee63efb35b992 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.49 CN(C=O)Cc1ccc(cc1)I 43c32b38de3611d81fb79371beaa68a2 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.49 CN(C=O)Cc1ccc(cc1)O 80e222d89d86f57d15087977ffec02ba [0,1,0,0,0,1|2,0,0]=4 280 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Br 9da1a3f2799b259fc8798e33e4adf1a1 [0,1,0,0,0,1|1,0,1]=4 281 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)Cl 96c63f81bc7272c644b26eb6861d4c24 [0,1,0,0,0,1|1,0,1]=4 282 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)F 246dadd31bc41ec3cb154bdd64b1a18e [0,1,0,0,0,1|1,0,1]=4 283 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)I 2811cf92fdee54c8c73288e50e4d3dbb [0,1,0,0,0,1|1,0,1]=4 284 B12R1.49 C[C@H](C=O)Nc1ccc(cc1)S 663aec2f6d763e5eb9a4c4f0db443af7 [0,1,0,0,0,1|1,0,1]=4 285 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Br a777615056b6692a116ec18ff9c7f468 [0,1,0,0,0,1|1,0,1]=4 286 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)Cl 0d8070db8ae5d2faf82c0d769d05c05f [0,1,0,0,0,1|1,0,1]=4 287 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)F 98f105ec555d1332e10eeda2b0eaf3dd [0,1,0,0,0,1|1,0,1]=4 288 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)I 3b12be3364e785f902e909b21ef03699 [0,1,0,0,0,1|1,0,1]=4 289 B12R1.49 C[C@H](C=O)Oc1ccc(cc1)S a7b779cddd8f944bb9b2c44c3d55bb15 [0,1,0,0,0,1|1,0,1]=4 290 B12R1.49 Cc1ccc(cc1)CN(C)C=O 2354ea15dc06b068271ea5e5ab22956c [0,1,0,0,0,1|1,0,0]=3 291 B12R1.49 Cc1ccc(cc1)CN(C)CF c0df0a0174bffac791963bd2047037d3 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.49 Cc1ccc(cc1)CN(C)CO ed474c07bd59a560c88e17955d9c9bb2 [0,1,0,0,0,1|1,0,1]=4 293 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,1,0,0,0,1|0,0,1]=3 294 B12R1.49 Cc1ccc(cc1)NC(C)C=O 25523a11e24587143b71fa6a3b27ffb2 [0,1,0,0,0,1|0,0,1]=3 295 B12R1.49 Cc1ccc(cc1)NC(C)CO 3a65f703743c7582d59d27c4b911a046 [0,1,0,0,0,1|0,0,2]=4 296 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CO 2d26d3567e3cf630da5665d889609cd2 [0,1,0,0,0,1|0,0,2]=4 297 B12R1.49 Cc1ccc(cc1)N[C@H](C)C=O 28e4bee698edd08666ae4838a95d94b8 [0,1,0,0,0,1|0,0,1]=3 298 B12R1.49 Cc1ccc(cc1)N[C@H](C)CO ef5026ef31ef684c9c9940edc6a6ea55 [0,1,0,0,0,1|0,0,2]=4 299 B12R1.49 Cc1ccc(cc1)OC(C)C=O af87facb189cc757d2705aa9fa4da122 [0,1,0,0,0,1|0,0,1]=3 300 B12R1.49 Cc1ccc(cc1)O[C@H](C)C=O 5a6244d0de0cff008d52114aada8a1de [0,1,0,0,0,1|0,0,1]=3 301 B12R1.49 Cc1ccc(cn1)CN(C)C=O a43e4a9a2cc5e91d249d3896121306c8 [0,1,0,0,0,1|2,0,0]=4 302 B12R1.49 Cc1ccc(cn1)NC(=O)C=O d6dab25b1ddc7ca376f8d7c9ab2d6faf [0,1,0,0,0,1|1,0,1]=4 303 B12R1.49 Cc1ccc(cn1)NC(C)C=O eaa5322fb607707191a67604549cea57 [0,1,0,0,0,1|1,0,1]=4 304 B12R1.49 Cc1ccc(cn1)N[C@H](C)C=O b2d1254bfba4535b7411865d13d6c9be [0,1,0,0,0,1|1,0,1]=4 305 B12R1.49 Cc1ccc(cn1)OC(C)C=O 27f5d603ee876dc4b99c58e5f464c3af [0,1,0,0,0,1|1,0,1]=4 306 B12R1.49 Cc1ccc(cn1)O[C@H](C)C=O e252f38a5b05a93e7fd0b0a696bfebc3 [0,1,0,0,0,1|1,0,1]=4 307 B12R1.49 Cc1ccc(nc1)CN(C)C=O a50468879e0fda2147f8b8adf9d863c7 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.49 Cc1ccc(nc1)NC(=O)C=O fa88febd64fd553ea2f045b461162bcb [0,1,0,0,0,1|1,0,1]=4 309 B12R1.49 Cc1ccc(nc1)NC(=O)CF e6bf44f2ea8bfdecc6207600f921c87f [0,1,0,0,0,1|1,0,0]=3 310 B12R1.49 Cc1ccc(nc1)NC(=O)CO ec46040fa59e290e8401962704687684 [0,1,0,0,0,1|1,0,0]=3 311 B12R1.49 Cc1ccc(nc1)NC(C)C=O 8ee8731692aebcbdfe9b8f8bc430bc7a [0,1,0,0,0,1|1,0,1]=4 312 B12R1.49 Cc1ccc(nc1)N[C@H](C)C=O fd8f7fc13cdfa6ed955ad9dfccaa691b [0,1,0,0,0,1|1,0,1]=4 313 B12R1.49 Cc1ccc(nc1)OC(C)C=O c45ef749cd7dffe2249f211fc96cbb68 [0,1,0,0,0,1|1,0,1]=4 314 B12R1.49 Cc1ccc(nc1)O[C@H](C)C=O bcfd8a8ac60d4a7720853da3ead56605 [0,1,0,0,0,1|1,0,1]=4 315 B12R1.49 Cc1ccc(nn1)NC(=O)CF 2ab04c1773d990fc0e948a6994463d3b [0,1,0,0,0,1|2,0,0]=4 316 B12R1.49 Cc1cnc(cn1)NC(=O)CF efc6048af123395fe58199373a6a7d28 [0,1,0,0,0,1|2,0,0]=4 317 B12R1.49 O=C(CF)Nc1ccc(cc1)S ffd007f6d429c4cc01bc35a0a9bc0c4b [0,1,0,0,0,1|1,0,0]=3 318 B12R1.49 O=C(CF)Nc1ccc(cn1)F f6cefdb7e1ba1d7b108894d8a577e731 [0,1,0,0,0,1|2,0,0]=4 319 B12R1.49 O=C(CF)Nc1ccc(cn1)I a14ff6f80e7b6b7cf026ca6e6d45f2ca [0,1,0,0,0,1|2,0,0]=4 320 B12R1.49 O=C(CF)Nc1ccc(cn1)O 87826ed734b098cab940c5cf552cd490 [0,1,0,0,0,1|2,0,0]=4 321 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,1,0,0,0,1|1,0,0]=3 322 B12R1.49 O=C(CO)Nc1ccc(cn1)F c6568bc6aebb2926a763957a15421a19 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.49 O=C(CO)Nc1ccc(cn1)I 4f93db6f85dfa0fce5ea3b5f67b5b2f7 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.49 O=C(CO)Nc1ccc(cn1)O 45f150174cd35a219a878d50a9e61546 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.49 O=C(CS)Nc1ccc(cc1)S dd44512130a111ab4104d09216220ff1 [0,1,0,0,0,1|1,0,0]=3 326 B12R1.49 O=C(CS)Nc1ccc(cn1)F c96103f1f00eb3c2d9860cc905262d91 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.49 O=C(CS)Nc1ccc(cn1)I 7eb75e7837269311d9470e5af3ba6b48 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,1,0,0,0,1|1,0,1]=4 329 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,1,0,0,0,1|1,0,1]=4 330 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,1,0,0,0,1|1,0,1]=4 331 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,1,0,0,0,1|1,0,1]=4 332 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,1,0,0,0,1|1,0,1]=4 333 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,1,0,0,0,1|1,0,1]=4 334 B12R1.233 CC(=O)Nc1ccc(cc1C)F 6effe6c419b171abe99cda77f2e5dcc3 [0,1,0,0,0,1|1,0,0]=3 335 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F df6d526ffb5fb4a5d963d500771b83ea [0,1,0,0,0,1|1,0,0]=3 336 B12R1.233 CC(=O)Nc1ccc(cc1F)F b65ab25455e69a169f5b136cadbac268 [0,1,0,0,0,1|1,0,0]=3 337 B12R1.233 CC(=O)Nc1ccc(cc1F)I e6d495e70c9b1db8af502f1604a636d8 [0,1,0,0,0,1|1,0,0]=3 338 B12R1.233 CC(=O)Nc1ccc(cc1F)O fbdfb9966ab874f8489dc3a00afeec1a [0,1,0,0,0,1|1,0,0]=3 339 B12R1.233 CC(=O)Nc1ccc(cc1F)S fb7fc80c99059cbd4f220141efcbd512 [0,1,0,0,0,1|1,0,0]=3 340 B12R1.233 CC(=O)Nc1ccc(cc1I)C d15805688d47027a3020102488ee9d04 [0,1,0,0,0,1|0,0,0]=2 341 B12R1.233 CC(=O)Nc1ccc(cc1I)F b2288b80288d1d1aa5c111501da24ffe [0,1,0,0,0,1|1,0,0]=3 342 B12R1.233 CC(=O)Nc1ccc(cc1I)I 62dec27db7d9a3d544935c827efb7be8 [0,1,0,0,0,1|1,0,0]=3 343 B12R1.233 CC(=O)Nc1ccc(cc1I)O 7c3187e966eb6eb57d814841260e91e7 [0,1,0,0,0,1|1,0,0]=3 344 B12R1.233 CC(=O)Nc1ccc(cc1O)F 20f59f27d52b6aa50576a8b1d1658c96 [0,1,0,0,0,1|1,0,0]=3 345 B12R1.233 CC(=O)Nc1ccc(cc1S)F 0e3667b2448731b7fb6079c37209a1b7 [0,1,0,0,0,1|1,0,0]=3 346 B12R1.233 CC(=O)Nc1ccc(nc1C)C d4f24a93d3b1400605ad5b83beadcd2c [0,1,0,0,0,1|1,0,0]=3 347 B12R1.233 CC(=O)Nc1ccc(nc1C)F b351706173d5d1146d923dd1b8d42f8c [0,1,0,0,0,1|2,0,0]=4 348 B12R1.233 CC(=O)Nc1cnc(cc1F)F 1d1ad5adf48bc0a2445ba8158167b22b [0,1,0,0,0,1|2,0,0]=4 349 B12R1.233 CC(=O)Nc1cnc(nc1C)C b4bcaef903dd84282066b4fe9c1d649f [0,1,0,0,0,1|2,0,0]=4 350 B12R1.233 CC(=O)Nc1ncc(cc1C)C d539a1c8a53dec0ab33f405dc60a265e [0,1,0,0,0,1|1,0,0]=3 351 B12R1.233 CC(=O)Nc1ncc(cc1C)F 8b93ceff25e92ed0ea3da03a7871eef1 [0,1,0,0,0,1|2,0,0]=4 352 B12R1.233 CC(=O)Nc1ncc(cc1Cl)F 2512a36011eeafc19003079c008e09a0 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.233 CC(=O)Nc1ncc(cc1F)F e9ff9e7b95cc0bd2e9526f06dcc77adc [0,1,0,0,0,1|2,0,0]=4 354 B12R1.233 CC(=O)Nc1ncc(cc1F)I 0cd7b99c142ed2b4ef5d4e3e7726d69b [0,1,0,0,0,1|2,0,0]=4 355 B12R1.233 CC(=O)Nc1ncc(cc1I)C ac186457d519cabdff30945a1d8d160c [0,1,0,0,0,1|1,0,0]=3 356 B12R1.233 CC(=O)Nc1ncc(cc1I)F 05e7da0cdc852caea9850a93da4134b9 [0,1,0,0,0,1|2,0,0]=4 357 B12R1.233 CC(=O)Nc1ncc(cc1I)I 7c24c316a26a2d3d8d2bcec5b2e13d4d [0,1,0,0,0,1|2,0,0]=4 358 B12R1.233 CC(=O)Nc1ncc(cc1O)C da2de0b8822c495e747e51ba57031b76 [0,1,0,0,0,1|1,0,0]=3 359 B12R1.233 CC(=O)Nc1ncc(cc1O)F ba93a044ae3f4ed06bd0a64fc17224d3 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.233 CC(=O)Nc1nnc(cc1C)C 2570cb79b2781d6a959450d06cfb0aa6 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C a6acb72565c1996c7186d52ef233977e [0,1,0,0,0,1|1,0,1]=4 362 B12R1.233 Cc1ccc(c(c1)C)OC(C)C e8a1dd9cf22f9f189889c6759f3d2597 [0,1,0,0,0,1|1,0,1]=4 363 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C f5ebe6c3a2cb7d1f602e21c7615eb132 [0,1,0,0,0,1|1,0,1]=4 364 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 00259539b9ee20d1eed7c19321176a91 [0,1,0,0,0,1|1,0,1]=4 365 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 238a88c0f3172d14bfc80d688936a5ee [0,1,0,0,0,1|1,0,1]=4 366 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 1d1600ad5412c16151912850934cf2ae [0,1,0,0,0,1|1,0,1]=4 367 B12R1.5 C#Cc1ccc(cc1)N(C)C=O 864611e02d5d1055fe4802d6e2187ea4 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,2,0,0,0,0|2,0,0]=4 369 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,2,0,0,0,0|2,0,0]=4 371 B12R1.5 CN(C=O)c1ccc(cc1)C#N c11dc10ade21db18120bf5a00a75e24b [0,2,0,0,0,0|1,0,1]=4 372 B12R1.5 CN(C=O)c1ccc(cc1)CO 4b23626adf970e3b6af26fbf287ac0c8 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.5 CN(CF)c1ccc(cc1)CO a0d20042ca7674242a7497a515103065 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.5 CN(CO)c1ccc(cc1)CO 5b96ff845683778ecc9957d4d3f78bea [0,2,0,0,0,0|1,0,1]=4 375 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,2,0,0,0,0|1,0,0]=3 376 B12R1.5 COc1ccc(cc1)N(C)CF d39b3366aec32235dd3334b33e15739f [0,2,0,0,0,0|2,0,0]=4 377 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,2,0,0,0,0|1,0,1]=4 378 B12R1.5 COc1ccc(cn1)N(C)C=O cd9b938131a0ffc6e237c42eb4fea898 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.5 COc1ccc(nc1)N(C)C=O cadcdb8e3c358807a8cabf0bc3b8fa44 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.5 CSc1ccc(cc1)N(C)C=O bdbbb0e5bdf03b7900c9da3e0833e74d [0,2,0,0,0,0|1,0,0]=3 381 B12R1.5 CSc1ccc(cc1)N(C)CF 657174a66754cb103b73779d135c77e9 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.5 CSc1ccc(cc1)N(C)CO 7392392f522a86f3fecb1588d6d5bf37 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,2,0,0,0,0|1,0,0]=3 385 B12R1.113 CC(=O)c1ccc(cc1)NC#N 2e1077cad859299940af320efde8e0c2 [0,2,0,0,0,0|0,0,1]=3 386 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,2,0,0,0,0|0,0,1]=3 387 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,2,0,0,0,0|0,0,0]=2 388 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.113 CC(=O)c1ccc(cn1)NC#N 29575f9d3f4deb5e1e711920f1794992 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.113 CC(=O)c1ccc(cn1)NC=O 900198501987d2865be2dded746b454d [0,2,0,0,0,0|1,0,1]=4 392 B12R1.113 CC(=O)c1ccc(cn1)NCF 08ccb3ac413058be9b2130546df17906 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.113 CC(=O)c1ccc(nc1)NC#N ff41634be1f83402187509a8e0cbbb4a [0,2,0,0,0,0|1,0,1]=4 396 B12R1.113 CC(=O)c1ccc(nc1)NC=O ce7836778adfc0ca222fd4e89f97cc23 [0,2,0,0,0,0|1,0,1]=4 397 B12R1.113 CC(=O)c1ccc(nc1)NCF ce5dc07ab2e66d48af6b95fd0c828117 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,2,0,0,0,0|1,0,0]=3 399 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,2,0,0,0,0|1,0,0]=3 400 B12R1.113 CC(=O)c1cnc(cn1)NCF 0b7ddad4f10808724504eec49c9c1f33 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.113 CC(=O)c1cnc(cn1)NCO e715e7248956bc117dc8e7bd8de1019c [0,2,0,0,0,0|2,0,0]=4 402 B12R1.113 CC(=O)c1cnc(cn1)OCF 19dd08caa144366c9c299ca9787617a9 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.113 CC(=O)c1cnc(nc1)NCF 706afc4ecc19a187e394ea2c433e6668 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.113 CC(=O)c1cnc(nc1)NCO ebbfb519842a5972178e9da20c2d0776 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.113 CC(=O)c1cnc(nc1)OCF 7bdbe75b98bad45749498348d58fb042 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.113 CC(C)c1ccc(cc1)NCF 3e7976bca83705cc206f471127e30038 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.113 CC(C)c1ccc(cc1)NCO eb33daf19145d872e5119e255ddbe9f3 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.113 CC(C)c1ccc(cc1)OCF a7ca380fb5af25e1b29af10fac04b737 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.113 CC(O)c1ccc(cc1)NCF 415eb4e86e110a1f3cf661d70c95cd44 [0,2,0,0,0,0|0,0,2]=4 410 B12R1.113 CC(O)c1ccc(cc1)NCO 74c9a6dba78830dd2b3ade1c19be4252 [0,2,0,0,0,0|0,0,2]=4 411 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,2,0,0,0,0|1,0,0]=3 414 B12R1.113 CCNc1ccc(cc1)C(=S)N 6717bf95bcea50ba1a8070a2fa29a0ab [0,2,0,0,0,0|1,1,0]=4 415 B12R1.113 CCNc1ccc(cc1)C(C)C 51a8c28fb0c90cbb58429f7341333aa1 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.113 CCNc1ccc(cc1)C(C)O 06a84e7b07090916a8cf8a0827876e87 [0,2,0,0,0,0|0,0,2]=4 417 B12R1.113 CCNc1ccc(cc1)N(C)C 60030f7164ecf2eb4bb7228d01f9e891 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.113 CCNc1ccc(cc1)S(=O)C 6eee7090214169bd16bf843c95e9dce4 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 61505ae0e73ca4e59cf97f62bf4de856 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.113 CCNc1ccc(cn1)C(=O)C 433d281b0eb2a601577fb4e71c3fd4f3 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.113 CCNc1ccc(cn1)C(=O)N 38628e4943d4fba4dd979f30eea2e256 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.113 CCNc1ccc(cn1)C(=O)O 445772db4ba156b9fc509f371a250977 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.113 CCNc1ccc(nc1)C(=O)C 56f227a563d31391d34b525ced93dda7 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.113 CCNc1ccc(nc1)C(=O)N 18bc9b7549e9b044d978a04a720c3d13 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.113 CCNc1ccc(nc1)C(=O)O 3d4b3f9334a92c9c81fda99edc5d14cb [0,2,0,0,0,0|2,0,0]=4 426 B12R1.113 CCNc1cnc(cn1)C(=O)C f769d181d5761e9318f997abc8cb6ae9 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.113 CCNc1ncc(cn1)C(=O)C cc26fde4406fc0e1acba1cb2b31f8701 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,2,0,0,0,0|1,1,0]=4 432 B12R1.113 CCOc1ccc(cc1)C(C)C 1b1f3178a4d7a5d36377a94e34a4b641 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.113 CCOc1ccc(cc1)N(C)C 7c0c8727d2634fbddeec9ff1c3c4e652 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,2,0,0,0,0|1,0,0]=3 435 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,2,0,0,0,0|2,0,0]=4 438 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,2,0,0,0,0|1,0,0]=3 440 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,2,0,0,0,0|2,0,0]=4 442 B12R1.113 CCOc1cnc(cn1)C(=O)C 53640d061f779fd1176dca9f18ff45ec [0,2,0,0,0,0|2,0,0]=4 443 B12R1.113 CCOc1ncc(cn1)C(=O)C b9982492e7469c670a1a390038e27ecc [0,2,0,0,0,0|2,0,0]=4 444 B12R1.113 CN(C)c1ccc(cc1)NCF 437f082f40bedbd6371cca3e1fceffea [0,2,0,0,0,0|2,0,0]=4 445 B12R1.113 CN(C)c1ccc(cc1)NCO 2884d3e81780a7727e8e3321fbd5b486 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.113 CN(C)c1ccc(cc1)OCF e7783933c096400ab0ca8921de39e5cd [0,2,0,0,0,0|2,0,0]=4 447 B12R1.113 CS(=O)c1ccc(cc1)NC=O e4dea300fd44631e301ef72ebeb0d807 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.113 CS(=O)c1ccc(cc1)NCF 0296e1a7c488c46974450d16d7aea993 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.113 NC(=O)c1ccc(cc1)NC=O 9fb7ff943e0b6470f967c00a5d8db744 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.113 NC(=O)c1ccc(cn1)NCF d61f02dbb54cf7fd042cb5f64162bcfb [0,2,0,0,0,0|2,0,0]=4 456 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.113 NC(=O)c1ccc(nc1)NCF 578291dcc3fe8e27da082088eee070ac [0,2,0,0,0,0|2,0,0]=4 459 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,2,0,0,0,0|2,0,0]=4 460 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,2,0,0,0,0|2,0,0]=4 461 B12R1.113 NC(=S)c1ccc(cc1)NCF c01e7e034d1c6a9f9ce059fa31b0b283 [0,2,0,0,0,0|1,1,0]=4 462 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,2,0,0,0,0|1,1,0]=4 463 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,2,0,0,0,0|1,1,0]=4 464 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,2,0,0,0,0|1,0,0]=3 465 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,2,0,0,0,0|1,0,0]=3 467 B12R1.113 O=C(O)c1ccc(cn1)NCF c501499687dc9c0943ab4dce188bad34 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,2,0,0,0,0|2,0,0]=4 470 B12R1.113 O=C(O)c1ccc(nc1)NCF 01ec063e90a19546acfac6915f960b28 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,2,0,0,0,0|2,0,0]=4 472 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 666ba325db329490991e587abcd4eb51 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,2,0,0,0,0|2,0,0]=4 475 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.367 CCN(C)c1ccc(c(c1)F)C d6e478ac109299ffee6e13335e43f568 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.367 CN(C=O)c1ccc(c(c1)Br)Cl 699478fbab1544dc7515deb73a69cfbe [0,2,0,0,0,0|2,0,0]=4 478 B12R1.367 CN(C=O)c1ccc(c(c1)Br)F e9ac86a3f62085a6a15be87d626493c3 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)Cl 728eb637540028933919e55cb870a65d [0,2,0,0,0,0|2,0,0]=4 480 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)F a19e43f7981ebc488ea7569a2022fc15 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.367 CN(C=O)c1ccc(c(c1)Cl)I 3e978cfbbcf5ad5a638511a8778319b2 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.367 CN(C=O)c1ccc(c(c1)F)Br 29707f2d305d300d884fd43c01c49db3 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.367 CN(C=O)c1ccc(c(c1)F)F 2b5679b121907250214e632b000bf76d [0,2,0,0,0,0|2,0,0]=4 484 B12R1.367 CN(C=O)c1ccc(c(c1)F)I 662773ff825b4431545148f031ce03ed [0,2,0,0,0,0|2,0,0]=4 485 B12R1.367 Cc1cc(ccc1F)N(C)C=O 07b9bcd47629ce5326108f2a2ebdc648 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.367 Cc1ccc(cc1Br)N(C)C=O 77a85240d82405de04fe25938d0866d9 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.367 Cc1ccc(cc1Cl)N(C)C=O cf3a5b1a96296132af2a3774e178268b [0,2,0,0,0,0|1,0,0]=3 488 B12R1.367 Cc1ccc(cc1Cl)N(C)CF 1bfaa6a4713c45ace790da18170c2886 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.367 Cc1ccc(cc1Cl)N(C)CO d4d337287c7a8762c602946a928cdd09 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.367 Cc1ccc(cc1F)N(C)C=O 9a7c2ead1e1994935dbfc421891fdf47 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.367 Cc1ccc(cc1F)N(C)CF 8aa812fb442d2bf14ede12a7d27f8da8 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.367 Cc1ccc(cc1F)N(C)CO 50efb84d3b7c1e1a8b98c327cf4b49e7 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.367 Cc1ccc(cc1O)N(C)C=O c8ad0fc6f463c760f678160497914bd6 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [0,2,0,0,0,0|1,0,0]=3 496 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.12 CCN(CC)c1ccc(cc1)C c612c057fef47b52c489959a7dfea2da [0,2,0,0,0,0|2,0,0]=4 500 B12R1.12 CCN(CF)c1ccc(cc1)C 497133c7d33382f6ad45732e446045f0 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.16 C#CCN(C)c1ccc(cc1)C 2ce01b199d51e24c59e3f824aee01921 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.16 C=CCN(C)c1ccc(cc1)C f5ade8376799a16a02cb89f83a85e6c0 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.16 CC(NC=O)c1ccc(cc1)Br cec71a2e12deb71965cf35d5a231fc60 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.16 CC(NC=O)c1ccc(cc1)Cl 62e65df99c635fd0849e029d2b9d82e7 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.16 CC(NC=O)c1ccc(cc1)F 0f9fe39f998705faa24ec3c466127abc [0,2,0,0,0,0|1,0,1]=4 506 B12R1.16 CC(NC=O)c1ccc(cc1)I d1de771e1351186285cef45bafc743a8 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.16 CC(NC=O)c1ccc(cc1)O 780ccb482900816d5583401c25a067a8 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|1,0,1]=4 510 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|1,0,1]=4 511 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|0,0,2]=4 512 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|0,0,2]=4 513 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|0,0,2]=4 514 B12R1.16 CN(CC=O)c1ccc(cc1)Br b2253658ebf9495bf3aa8a66ce8004e3 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 6f82cfc4c98b3d8f1fdea20562a0c1da [0,2,0,0,0,0|2,0,0]=4 516 B12R1.16 CN(CC=O)c1ccc(cc1)F 3dd0cfee2af7b819e09eac9c0710d924 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.16 CN(CC=O)c1ccc(cc1)I f8ce3023c5b408882a0ecb66a733e0a5 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.16 CN(CC=O)c1ccc(cc1)S 67c6f66320a72c9c50fce3815233c732 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.16 COCN(C)c1ccc(cc1)C 260a9b4be5f588be4c5cb528cb614c98 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.16 CSCN(C)c1ccc(cc1)C 4795340d58f6ab15f6b51f3965e940df [0,2,0,0,0,0|1,1,0]=4 521 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Br d8cd2d0f202e812d46c79a98bbb605a5 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)Cl f8ea50f9bfe9365c99981d786edec9ea [0,2,0,0,0,0|1,0,1]=4 523 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)F 364ed9bf4d394113c9a722efda88774d [0,2,0,0,0,0|1,0,1]=4 524 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)I 6943534d6332bfef5b4540520bab5a4e [0,2,0,0,0,0|1,0,1]=4 525 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)O 8ddca235e244438dd47aa40b48c86cd2 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Br 2b80ae29ecdd4076f4f5249ff743ea74 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.16 C[C@H](NC=O)c1ccc(cc1)Cl 6cedc228bdb04fde67af32200068cea2 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.16 C[C@H](NC=O)c1ccc(cc1)F daf6ac4c823126d2fbb6db18061b56cc [0,2,0,0,0,0|1,0,1]=4 529 B12R1.16 C[C@H](NC=O)c1ccc(cc1)I 65b879518ec9b87f725b84c739a60426 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.16 C[C@H](NC=O)c1ccc(cc1)O 89da72b6ae407036db86e3fe7542cc39 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.16 Cc1ccc(cc1)C(=O)NC#N db9c029ca258c4ca02cc9c2e6a5bd644 [0,2,0,0,0,0|0,0,1]=3 532 B12R1.16 Cc1ccc(cc1)C(C)NC=O 4445dae333f700acf8229460410d7a46 [0,2,0,0,0,0|0,0,1]=3 533 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|1,0,1]=4 534 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|0,0,2]=4 535 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|0,0,2]=4 536 B12R1.16 Cc1ccc(cc1)N(C)CC#N 10456e59bb547ebd63d1a132a4cf58b3 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.16 Cc1ccc(cc1)N(C)CC=O f338b4b27d8d005a35695138d65e3bf4 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.16 Cc1ccc(cc1)N(C)CCO 39042d771df47b8469e33261b483f64a [0,2,0,0,0,0|1,0,1]=4 539 B12R1.16 Cc1ccc(cc1)N(C)CCS 2d7f2cfe06740aa0e23780f43bb310ae [0,2,0,0,0,0|1,1,0]=4 540 B12R1.16 Cc1ccc(cc1)[C@@H](C)NC=O 5f78b07bded280584507dffb0d576dae [0,2,0,0,0,0|0,0,1]=3 541 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|1,0,1]=4 542 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|0,0,2]=4 543 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|0,0,2]=4 544 B12R1.16 Cc1ccc(cc1)[C@H](C)NC=O ea7c4fbe59767ff43724e5251e9552d4 [0,2,0,0,0,0|0,0,1]=3 545 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|0,0,2]=4 547 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|0,0,2]=4 548 B12R1.16 Cc1ccc(cn1)C(=O)NC#N 884c99f34e37b89658bcda5afa0a59e2 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.16 Cc1ccc(cn1)C(C)NC=O 653023f91d09fa48c6e281d6eb4be5b1 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.16 Cc1ccc(cn1)N(C)CC=O 6e4889d4296bfca82c27f9f1fe67c24b [0,2,0,0,0,0|2,0,0]=4 551 B12R1.16 Cc1ccc(cn1)[C@@H](C)NC=O b9358481bb5f8026a1babcd79b8a7e0a [0,2,0,0,0,0|1,0,1]=4 552 B12R1.16 Cc1ccc(cn1)[C@H](C)NC=O c8f434e29f0ecadf2869c487353bbf9a [0,2,0,0,0,0|1,0,1]=4 553 B12R1.16 Cc1ccc(nc1)C(=O)NC#N c5438410347b37560a1ce4400731a760 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.16 Cc1ccc(nc1)C(C)NC=O 762cc2c42d6edc7c6fce354b2af8a9bd [0,2,0,0,0,0|1,0,1]=4 555 B12R1.16 Cc1ccc(nc1)N(C)CC=O 3af6ab291f599c0e9da2552b95ff28d7 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.16 Cc1ccc(nc1)[C@@H](C)NC=O 77969a4823596ea7baa6f55b4a737081 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.16 N#CNC(=O)c1ccc(cc1)Br a99b0fc0654d043ac7ce11f3747c4d29 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.16 N#CNC(=O)c1ccc(cc1)Cl ba54d20ca571a54a3528edc3d2dd1d85 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.16 N#CNC(=O)c1ccc(cc1)F 9c493ddeafce1b54e4e15966e3479758 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.16 N#CNC(=O)c1ccc(cc1)I 321a9b79bb1811f58697ecdae7bb89cd [0,2,0,0,0,0|1,0,1]=4 561 B12R1.16 N#CNC(=O)c1ccc(cc1)O 772a9f4515185f04385bbd2d486c3994 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.16 N#CNC(=O)c1ccc(cc1)S 954b2a211483b0165b3c135e0f2947a6 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.1703 CCN(C)c1ccc(cc1C)C 09ccb14d22310cb85fc6bab9b38cc134 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.1703 CN(C=O)c1ccc(cc1Br)F 67548eaf3585a8aee8367ba51cee60f4 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.1703 CN(C=O)c1ccc(cc1Cl)Cl a7d5afdf4ec4a1896eb221099ecdec3f [0,2,0,0,0,0|2,0,0]=4 566 B12R1.1703 CN(C=O)c1ccc(cc1Cl)F 3af620dc16f8913d8619753e24f613f4 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.1703 CN(C=O)c1ccc(cc1F)Br c1a20d06d3152f8ce1fd8083d2318f67 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.1703 CN(C=O)c1ccc(cc1F)F 31c5c798bd82e64727d495072545f9ba [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1703 Cc1cc(ccc1N(C)C=O)I 02671d246d1e879e810f77eefa7f684a [0,2,0,0,0,0|2,0,0]=4 570 B12R1.1703 Cc1ccc(c(c1)C)N(C)CF 6e69793f2b1ab50cdd55d3db2b631b2f [0,2,0,0,0,0|2,0,0]=4 571 B12R1.1703 Cc1ccc(c(c1)C)N(C)CO 89156e9dd8deac7ad6b81ea6bfed2e36 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.1703 Cc1ccc(c(c1)F)N(C)C=O b977dfc72b1cc616e937adca0188dd57 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.1703 Cc1ccc(c(c1)F)N(C)CF 9886fa585789eb02f4793142a7869a5b [0,2,0,0,0,0|2,0,0]=4 574 B12R1.1703 Cc1ccc(c(c1)F)N(C)CO c3e0b36d16072fb3f4ae421e0257286d [0,2,0,0,0,0|1,0,1]=4 575 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [1,0,0,0,0,1|1,0,0]=3 576 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [1,0,0,0,0,1|1,0,0]=3 577 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [1,0,0,0,0,1|2,0,0]=4 578 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [1,0,0,0,0,1|1,0,0]=3 579 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [1,0,0,0,0,1|2,0,0]=4 580 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [1,0,0,0,0,1|2,0,0]=4 581 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [1,0,0,0,0,1|2,0,0]=4 582 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,0,0,0,0,1|1,0,1]=4 583 B12R1.21 C=C(Br)CNc1ccc(cc1)C ac7ea7499cdbc554feeedeef7cb9505e [0,0,0,0,0,2|1,0,1]=4 584 B12R1.21 C=C(Br)COc1ccc(cc1)C 9c193f91e46784b587907cb92891fd6c [0,0,0,0,0,2|1,0,1]=4 585 B12R1.21 C=C(C)CNc1ccc(cc1)Br 8dc7c710ab065447c48123f5bcedf0d7 [0,0,0,0,0,2|2,0,0]=4 586 B12R1.21 C=C(C)CNc1ccc(cc1)C b9648f75e96e288122c1f1f52f17747f [0,0,0,0,0,2|1,0,0]=3 587 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 220d67265de58d61a8991b9e2785ee2d [0,0,0,0,0,2|2,0,0]=4 588 B12R1.21 C=C(C)CNc1ccc(cc1)F 9baed94ab3d9e5ced3ce874d6c51416e [0,0,0,0,0,2|2,0,0]=4 589 B12R1.21 C=C(C)CNc1ccc(cc1)I 06dfc038b0a9a5ffed5b770675a3f2a7 [0,0,0,0,0,2|2,0,0]=4 590 B12R1.21 C=C(C)CNc1ccc(cc1)S 921d107d183b9a1bdcbc25be7b23a76d [0,0,0,0,0,2|2,0,0]=4 591 B12R1.21 C=C(C)CNc1ccc(cn1)C 2751c85b38999e12e111839a1e83e585 [0,0,0,0,0,2|2,0,0]=4 592 B12R1.21 C=C(C)CNc1ccc(nc1)C 3b729647ac4755635012616ded84642f [0,0,0,0,0,2|2,0,0]=4 593 B12R1.21 C=C(C)COc1ccc(cc1)Br a11895d937d3f2d9f08464f39279ebc3 [0,0,0,0,0,2|2,0,0]=4 594 B12R1.21 C=C(C)COc1ccc(cc1)C 4b1d2a823038eb68fdc1b48cdf3bab5c [0,0,0,0,0,2|1,0,0]=3 595 B12R1.21 C=C(C)COc1ccc(cc1)Cl ea127c52905a815dded5f13c6ffd1cfb [0,0,0,0,0,2|2,0,0]=4 596 B12R1.21 C=C(C)COc1ccc(cc1)F 676a93816a9a29e23b5ed4b6963c19fe [0,0,0,0,0,2|2,0,0]=4 597 B12R1.21 C=C(C)COc1ccc(cc1)I 5901a75df5ef921835413fe721bc19b6 [0,0,0,0,0,2|2,0,0]=4 598 B12R1.21 C=C(C)COc1ccc(cc1)S e1438e91dbf00b53d040faf3c1a65953 [0,0,0,0,0,2|2,0,0]=4 599 B12R1.21 C=C(C)COc1ccc(cn1)C 25be0804536d4e29e095269d235ade58 [0,0,0,0,0,2|2,0,0]=4 600 B12R1.21 C=C(C)COc1ccc(nc1)C 8571450d438ea1d167291f7231d2ca53 [0,0,0,0,0,2|2,0,0]=4 601 B12R1.21 C=C(Cl)CNc1ccc(cc1)C 8092fec00e8a6e91f5356e3a20a982e1 [0,0,0,0,0,2|1,0,1]=4 602 B12R1.21 C=C(Cl)COc1ccc(cc1)C 9644d5f6f71a2dddb0ba3f41a6860adc [0,0,0,0,0,2|1,0,1]=4 603 B12R1.21 C=C(F)CNc1ccc(cc1)C 4209ee85c95368c7943bdc78b66e1597 [0,0,0,0,0,2|1,0,1]=4 604 B12R1.21 C=C(F)COc1ccc(cc1)C e9340c144fab0b65d653c631b38d880e [0,0,0,0,0,2|1,0,1]=4 605 B12R1.21 CC(=O)CNc1ccc(cc1)C c6df41938fb73851720b8d504c48231e [0,0,0,0,0,2|0,0,0]=2 606 B12R1.21 CC(=O)CNc1ccc(cc1)F 9780023b225d3200ffd10d583c37ffdb [0,0,0,0,0,2|1,0,0]=3 607 B12R1.21 CC(=O)CNc1ccc(cc1)S 423de7376f76e98fc0bb1a5337720e0a [0,0,0,0,0,2|1,0,0]=3 608 B12R1.21 CC(=O)CNc1ccc(cn1)C bc36513c065be4bead67c38b364207e3 [0,0,0,0,0,2|1,0,0]=3 609 B12R1.21 CC(=O)CNc1ccc(cn1)F 9e8a5506e8b30241e94f21f5b7f9a99b [0,0,0,0,0,2|2,0,0]=4 610 B12R1.21 CC(=O)CNc1ccc(nc1)C af5cc7de8bed053b888963a847e4955b [0,0,0,0,0,2|1,0,0]=3 611 B12R1.21 CC(=O)CNc1ccc(nc1)F 059d81fedea6ddc0c03a0c00cf186cb6 [0,0,0,0,0,2|2,0,0]=4 612 B12R1.21 CC(=O)CNc1ccc(nn1)C f767fe862e0bf984975a1f7b1ad46f81 [0,0,0,0,0,2|2,0,0]=4 613 B12R1.21 CC(=O)CNc1cnc(cn1)C 4e0e1a6e61046e633434e8b3b805cb1a [0,0,0,0,0,2|2,0,0]=4 614 B12R1.21 CC(=O)NCc1ccc(cc1)Br d2cc47a2d2f5d0454a6ab6aa9be01b2e [0,0,0,0,0,2|1,0,0]=3 615 B12R1.21 CC(=O)NCc1ccc(cc1)C 6d1c8fe2cbf40141f0ff7216820c0ba5 [0,0,0,0,0,2|0,0,0]=2 616 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 932ef7783d78c6800f8298437d4b88f9 [0,0,0,0,0,2|1,0,0]=3 617 B12R1.21 CC(=O)NCc1ccc(cc1)F c15fb7f7daa1d8d13002cf39462c9e3a [0,0,0,0,0,2|1,0,0]=3 618 B12R1.21 CC(=O)NCc1ccc(cc1)I 638cbc421d0f9cd22ecaa35e0d864cbc [0,0,0,0,0,2|1,0,0]=3 619 B12R1.21 CC(=O)NCc1ccc(cc1)O 3eb259396d79ab6b5f53bb6ff52007c0 [0,0,0,0,0,2|1,0,0]=3 620 B12R1.21 CC(=O)NCc1ccc(cn1)Br fb8f8537a7bbf570a19dea4d0aa6d18d [0,0,0,0,0,2|2,0,0]=4 621 B12R1.21 CC(=O)NCc1ccc(cn1)C f38c03df8524acc05ebff836b6a5b5af [0,0,0,0,0,2|1,0,0]=3 622 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 6a011978ddf38308f5a5156573588194 [0,0,0,0,0,2|2,0,0]=4 623 B12R1.21 CC(=O)NCc1ccc(cn1)F d40665011432ddf8f16403b67189332a [0,0,0,0,0,2|2,0,0]=4 624 B12R1.21 CC(=O)NCc1ccc(cn1)O 7406aaf103c654960018dd961b73cac8 [0,0,0,0,0,2|2,0,0]=4 625 B12R1.21 CC(=O)NCc1ccc(nc1)Br e9dbeda635f5ea81b0bda7268917134d [0,0,0,0,0,2|2,0,0]=4 626 B12R1.21 CC(=O)NCc1ccc(nc1)C c7de52d9e18c5b5eeea94a97977c5605 [0,0,0,0,0,2|1,0,0]=3 627 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 9eb33223753c16aea396f97336de070d [0,0,0,0,0,2|2,0,0]=4 628 B12R1.21 CC(=O)NCc1ccc(nc1)F 6b7a55dd10ce9ac95968778b4ef6141e [0,0,0,0,0,2|2,0,0]=4 629 B12R1.21 CC(=O)NCc1ccc(nn1)C 126f8bc204361b9e2ba4cd218910ca56 [0,0,0,0,0,2|2,0,0]=4 630 B12R1.21 CC(=O)NCc1cnc(cn1)C 2db0c3663a53bfb93147d716c0023ecf [0,0,0,0,0,2|2,0,0]=4 631 B12R1.21 CC(=O)NCc1cnc(nc1)C 5404c5c2201a81a0a45e3c8acd846ca8 [0,0,0,0,0,2|2,0,0]=4 632 B12R1.21 CC(=O)NCc1ncc(cn1)C 5009afd58a5769b99ccbbfeaafb2b5fd [0,0,0,0,0,2|2,0,0]=4 633 B12R1.21 Cc1ccc(cc1)CNC(C)C 9f3293af5f5347150ac2434f1c0f5ea3 [0,0,0,0,0,2|1,0,1]=4 634 B12R1.21 Cc1ccc(cc1)COC(C)C 7eda3a9e7a3c4601d0edf3097f1c1fb1 [0,0,0,0,0,2|1,0,1]=4 635 B12R1.21 Cc1ccc(cc1)NCC(=O)N 1f37a5662ec11ffdbe6836fff26fabe0 [0,0,0,0,0,2|1,0,0]=3 636 B12R1.21 Cc1ccc(cc1)NCC(=O)O 74e964dee6b2c45f80d52be884637f2a [0,0,0,0,0,2|1,0,0]=3 637 B12R1.21 Cc1ccc(cc1)NCC(C)C d33fe3d6c1e672a348e9fedb377a9185 [0,0,0,0,0,2|1,0,1]=4 638 B12R1.21 Cc1ccc(cc1)NCC(C)O 8379462492ffae9a9aea5a1dcd1f96eb [0,0,0,0,0,2|0,0,2]=4 639 B12R1.21 Cc1ccc(cc1)NCN(C)C f410d4238a7fc65021317765c852db2f [0,0,0,0,0,2|2,0,0]=4 640 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O a5239ddc3731748474623fb5c2811c3d [0,0,0,0,0,2|0,0,2]=4 641 B12R1.21 Cc1ccc(cc1)NC[C@H](C)O 07456d37e9494f0c908a5c4ac8161df3 [0,0,0,0,0,2|0,0,2]=4 642 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] c6c18e8c64651575b63aec010cabaaac [0,0,0,0,0,2|2,0,0]=4 643 B12R1.21 Cc1ccc(cc1)OCC(=O)N b4e2c91dcf7aaab8af6b590dd58d5a8f [0,0,0,0,0,2|1,0,0]=3 644 B12R1.21 Cc1ccc(cc1)OCC(=O)O b391ad11299a568c97edf041fe65000c [0,0,0,0,0,2|1,0,0]=3 645 B12R1.21 Cc1ccc(cc1)OCC(C)C c1aa096b3782800b4571efa5c0f498bc [0,0,0,0,0,2|1,0,1]=4 646 B12R1.21 Cc1ccc(cc1)OCN(C)C 8df4da1e8ff5f1a2a333a699e01425b0 [0,0,0,0,0,2|2,0,0]=4 647 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 06efd49a697c4badf346fdbc59ea9ba3 [0,0,0,0,0,2|2,0,0]=4 648 B12R1.21 Cc1ccc(cn1)NCC(=O)N 206a7b8eb3c64ced7199f6f25c47dd33 [0,0,0,0,0,2|2,0,0]=4 649 B12R1.21 Cc1ccc(cn1)NCC(=O)O 58bb41a7876380d1226dd9fd2bd2a019 [0,0,0,0,0,2|2,0,0]=4 650 B12R1.21 Cc1ccc(cn1)OCC(=O)N 2385fd1fa2ac2bc7643ee67e3a762663 [0,0,0,0,0,2|2,0,0]=4 651 B12R1.21 Cc1ccc(cn1)OCC(=O)O 12eb6b676eef622f5f2e7d8946a33456 [0,0,0,0,0,2|2,0,0]=4 652 B12R1.21 Cc1ccc(nc1)NCC(=O)N 679286d57b6fad1720c78adcb742e676 [0,0,0,0,0,2|2,0,0]=4 653 B12R1.21 Cc1ccc(nc1)NCC(=O)O 16ad7dfa06fb8a87f559fea40c29a6b3 [0,0,0,0,0,2|2,0,0]=4 654 B12R1.21 Cc1ccc(nc1)OCC(=O)N c091fa9fe565c2a25b68ab230d3dcc66 [0,0,0,0,0,2|2,0,0]=4 655 B12R1.21 Cc1ccc(nc1)OCC(=O)O 401776df19e31ac45d79bb09b4fc2086 [0,0,0,0,0,2|2,0,0]=4 656 B12R1.21 NC(=O)CNc1ccc(cc1)Br 641d17fcc9e97442b8d2a64b84c3fd3a [0,0,0,0,0,2|2,0,0]=4 657 B12R1.21 NC(=O)CNc1ccc(cc1)Cl b14233821247556cb03ba5cb7bea87cd [0,0,0,0,0,2|2,0,0]=4 658 B12R1.21 NC(=O)CNc1ccc(cc1)F 1c65ab173611560a41ddaa788ee7884f [0,0,0,0,0,2|2,0,0]=4 659 B12R1.21 NC(=O)CNc1ccc(cc1)I ba88c86be3b8263f20e7d78d60da7c19 [0,0,0,0,0,2|2,0,0]=4 660 B12R1.21 NC(=O)CNc1ccc(cc1)S bca84c320f65c493994a9ce7f5641d8f [0,0,0,0,0,2|2,0,0]=4 661 B12R1.21 NC(=O)COc1ccc(cc1)Br 5233c32938bf3208d8553a5431e6ab1d [0,0,0,0,0,2|2,0,0]=4 662 B12R1.21 NC(=O)COc1ccc(cc1)Cl f2788d19d1b3c6a844fb66c37a87f101 [0,0,0,0,0,2|2,0,0]=4 663 B12R1.21 NC(=O)COc1ccc(cc1)F 9f1bf4cb48f50f841f07648bbbc5f22f [0,0,0,0,0,2|2,0,0]=4 664 B12R1.21 NC(=O)COc1ccc(cc1)I 4ae216c9f5b789cc2bd1f97c85e328c9 [0,0,0,0,0,2|2,0,0]=4 665 B12R1.21 NC(=O)COc1ccc(cc1)S a84c625e8f5bdfd8f51c2b9a40310f35 [0,0,0,0,0,2|2,0,0]=4 666 B12R1.21 O=C(O)CNc1ccc(cc1)Br 7da0d863f5bb29f83e0c10f1f7c0547e [0,0,0,0,0,2|2,0,0]=4 667 B12R1.21 O=C(O)CNc1ccc(cc1)Cl ecfcb6d7f6b9c05aeb6ab6499e94dfa4 [0,0,0,0,0,2|2,0,0]=4 668 B12R1.21 O=C(O)CNc1ccc(cc1)F 4e89215ad65c56d949cab153f0ac84e0 [0,0,0,0,0,2|2,0,0]=4 669 B12R1.21 O=C(O)CNc1ccc(cc1)I 2ba461660eb79ccc00a06823117a48dd [0,0,0,0,0,2|2,0,0]=4 670 B12R1.21 O=C(O)CNc1ccc(cc1)S f20c646ff83492b8833296086758cc6a [0,0,0,0,0,2|2,0,0]=4 671 B12R1.21 O=C(O)COc1ccc(cc1)Br b2e258860e40223ee9da79dbd882e7d5 [0,0,0,0,0,2|2,0,0]=4 672 B12R1.21 O=C(O)COc1ccc(cc1)Cl 28aa8b483311aaf8605303390d0ded6a [0,0,0,0,0,2|2,0,0]=4 673 B12R1.21 O=C(O)COc1ccc(cc1)F a0f040c73294c1633c8e3593094e773e [0,0,0,0,0,2|2,0,0]=4 674 B12R1.21 O=C(O)COc1ccc(cc1)I d32cb6deb654e7f5efc087ff2ed69aa0 [0,0,0,0,0,2|2,0,0]=4 675 B12R1.21 O=C(O)COc1ccc(cc1)S 8835852d462b385559e65d146a31e233 [0,0,0,0,0,2|2,0,0]=4