0 B11R1.23 Cc1cccc(c1)N(C)C=O 8d3d604d6ddb9f04039aac9ce5e10e5e [0,1,0,0,0,0|3,0,0]=4 1 B9R0.42 C=CC(C)NC(=O)C(=O)N 562d935e5df30f67f09072136575a12b [0,0,1,0,0,0|3,0,0]=4 2 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [0,0,0,0,0,1|3,0,0]=4 3 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,0,0,0,0,1|2,0,0]=3 4 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [0,0,0,0,0,1|3,0,0]=4 5 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [0,0,0,0,0,1|3,0,0]=4 6 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [0,0,0,0,0,1|3,0,0]=4 7 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,0,0,0,0,1|3,0,0]=4 8 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [0,0,0,0,0,1|3,0,0]=4 9 B11R1.157 CC(=O)Nc1cccc(n1)C 01436216495e07ab1a016d090bd0354d [0,0,0,0,0,1|3,0,0]=4 10 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [0,0,0,0,0,1|3,0,0]=4 11 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,0,0,0,0,1|3,0,0]=4 12 B8R0.19 C=CC(C)OC(=C)C=O 8c192ba855365988a6d73bd92d3bddfc [1,0,1,0,0,0|2,0,0]=4 13 B10R1.10 Cc1cc(ccn1)NC=O a1b570429a4635d83924ed4666c430bc [1,1,0,0,0,0|2,0,0]=4 14 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [1,1,0,0,0,0|1,0,0]=3 15 B10R1.10 Cc1cccc(n1)NC=O ed2cb43abfa9e18c06399d497b7d9003 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.10 Cc1ccnc(c1)NC=O eb3abfd32da8586a758691536bf07486 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.10 Cc1cncc(c1)NC=O 95a870ee7a047f48cb87dd1c0e78a9ee [1,1,0,0,0,0|2,0,0]=4 18 B10R1.10 O=CNc1cccc(c1)Br 5eb9518e9956f7a348d0a646a73a1e32 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.10 O=CNc1cccc(c1)Cl 7fe4ac55882b67bb145106257f99a127 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.10 O=CNc1cccc(c1)F 078b99782fd4caa299ab4bc2089ca8ec [1,1,0,0,0,0|2,0,0]=4 21 B10R1.10 O=CNc1cccc(c1)I 0ca8a7d6d3dcba43e51377ba593dcc41 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.10 O=CNc1cccc(c1)O b7034720bcdfb6e36ba15c0a5abf2a37 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.10 O=CNc1cccc(c1)S 605dde1db165209334662244eb37bfa5 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.19 CC(=O)Nc1ccc(=O)n(c1)C bed93d47c9f7a1be46bb9b96ae5a29c1 [0,1,0,0,0,1|1,0,1]=4 25 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 86f20b792aad100bfd286ed2d5252ae6 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 7ee0d2dd2caa0515721d628874a5eba8 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O bdf455de7f67f140e539b2a142a95050 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.50 C#CC(=O)Nc1cccc(c1)C 990cde613fc44142fd3c262287a1d5fb [0,1,0,0,0,1|2,0,0]=4 29 B12R1.50 C=CC(=O)Nc1cccc(c1)C d548557b52a2efa30bffb47407de5415 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.50 Cc1cccc(c1)NC(=O)C=O 04381f8f7ac23bd03987503a439afe38 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 61d79572e925e7065a47201076ec7902 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 79bf7883facd059d1143febf38f01c76 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 2135302dd8f03c046cf336e44d0ebdcb [0,1,0,0,0,1|2,0,0]=4 35 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 902ab2e13bd2f33998ff2795dec8406f [0,1,0,0,0,1|2,0,0]=4 36 B12R1.101 CC(=O)Nc1cc(cc(c1)I)C 3b489d0810447102ee4a5d1205218df4 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 9667b25811c2d738e80fc3dc3ad50db6 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.127 CC(=O)Nc1cc(ccc1C)C 20223331c17d1785990adcbdb7b2a9b9 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.127 CC(=O)Nc1cc(ccc1I)C d1a70a486c75d5da5030eb4cb2ac269d [0,1,0,0,0,1|2,0,0]=4 40 B12R1.224 CC(=O)Nc1cccc(c1Br)C 7c5116d0387b761e5b69eb6b9c786d4e [0,1,0,0,0,1|2,0,0]=4 41 B12R1.224 CC(=O)Nc1cccc(c1C)C 0f2082902786aef57d73b4f7cf4c5dad [0,1,0,0,0,1|2,0,0]=4 42 B12R1.224 CC(=O)Nc1cccc(c1Cl)C e7c4eb8e93f0027b202d262b4c925b2a [0,1,0,0,0,1|2,0,0]=4 43 B12R1.224 CC(=O)Nc1cccc(c1F)C 600f4800b67cedd3ed5db170361c8396 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.224 CC(=O)Nc1cccc(c1O)C eca81aea8ccbfe5bf0ed8ea670c1a3f1 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.224 CC(=O)Nc1cccn(c1=O)C f0827629f1acb95fc166197ea531d779 [0,1,0,0,0,1|1,0,1]=4 46 B12R1.225 CC(=O)N(C)c1cccc(c1)C 25e03f335071a4176e7ef8eb1a8a6f73 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.438 CC(=O)Nc1cccc(c1)CBr d0b7cf7874f3fd97421750cfec39e009 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.438 CC(=O)Nc1cccc(c1)CF 97a230bc3824ea648865f73b5dfc68ce [0,1,0,0,0,1|2,0,0]=4 49 B12R1.438 CC(=O)Nc1cccc(c1)CO 0ad40df74383cfea037b41c01bcadc75 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.438 CCc1cccc(c1)NC(=O)C 15904dc358d5d298ca31f04f6e829788 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.438 COc1cccc(c1)NC(=O)C b2a978843f09ac312d631a800d1ded40 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.438 CSc1cccc(c1)NC(=O)C 200dd94b08e0817c1b39f2dfef8bc40b [0,1,0,0,0,1|2,0,0]=4 53 B12R1.17 Cc1cc(ccn1)C(=O)NC#N 71c854458bce93903eb9c3a50c2dca72 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.17 Cc1cccc(c1)C(=O)NC#N 8969e2d1b9e0875dd0263d8e02448ab3 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.17 Cc1cccc(n1)C(=O)NC#N 45d046ac25112e059b8006a1a9f32f7f [0,2,0,0,0,0|2,0,0]=4 56 B12R1.17 Cc1ccnc(c1)C(=O)NC#N d3c4422e811786866218f3eeb7d2b2bd [0,2,0,0,0,0|2,0,0]=4 57 B12R1.17 Cc1cncc(c1)C(=O)NC#N 4664d3f893add063456b838a1296b194 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.17 N#CNC(=O)c1ccc[n+](c1)[O-] 97cd3a09f1a8ec98469f80e0b0a60863 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.17 N#CNC(=O)c1cccc(c1)Br 17a738b8d21e938bc893c81fe83f94aa [0,2,0,0,0,0|2,0,0]=4 60 B12R1.17 N#CNC(=O)c1cccc(c1)Cl 153a83fd06782dfd4efeb858fe6c964d [0,2,0,0,0,0|2,0,0]=4 61 B12R1.17 N#CNC(=O)c1cccc(c1)F a586fcc73b12342c700b3f2c8fa2834e [0,2,0,0,0,0|2,0,0]=4 62 B12R1.17 N#CNC(=O)c1cccc(c1)I 34b6b12465d7bd928f2df5ab61bc5e71 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.17 N#CNC(=O)c1cccc(c1)O c1a129dfbf159ede7ce86d0a29a02b40 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.17 N#CNC(=O)c1cccc(c1)S 63a2aef7be2f7e2604c45a9f333fa15e [0,2,0,0,0,0|2,0,0]=4 65 B12R1.279 CC(=O)c1cccc(c1)NCF 6b128f592a9bb6434d70f6a554575e19 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.279 CC(=O)c1cccc(c1)NCO e79d36c8714c519604073a7e9714328d [0,2,0,0,0,0|2,0,0]=4 67 B12R1.279 CC(=O)c1cccc(c1)OCF f42ff2902b0e5863f24cbaf744ccb61d [0,2,0,0,0,0|2,0,0]=4 68 B12R1.279 CCNc1cc(ccn1)C(=O)N 227f76550c2fa6d0667913f21496b894 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.279 CCNc1cccc(c1)C(=O)C 3e2e63d35d5d484da292f2b4ea8d065c [0,2,0,0,0,0|2,0,0]=4 70 B12R1.279 CCNc1cccc(c1)C(=O)N aeed616b57d78051a6a7d43bed32fe9d [0,2,0,0,0,0|1,0,0]=3 71 B12R1.279 CCNc1cccc(c1)C(=O)O 60ed91d60ea3237fabf4a94701e08688 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.279 CCNc1cccc(c1)C(=S)N 6298a3e157ba58994e6bb358f6ff8ff1 [0,2,0,0,0,0|1,1,0]=4 73 B12R1.279 CCNc1cccc(n1)C(=O)N 7170a54bcd701062b5a2be44b588440f [0,2,0,0,0,0|2,0,0]=4 74 B12R1.279 CCNc1ccnc(c1)C(=O)N 81726ae967f553517391e296d9d74749 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.279 CCNc1cncc(c1)C(=O)N 1c4bcea8843586c5cbb2e75d59df9641 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.279 CCOc1cccc(c1)C(=O)C 318296c0ec02dfbe810a382ac505f5f3 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.279 CCOc1cccc(c1)C(=O)N 78e78dd5cc1adb0e63ceab04724d2f6e [0,2,0,0,0,0|1,0,0]=3 78 B12R1.279 CCOc1cccc(c1)C(=O)O 9fe956bbd42b12e2b3cab7694f3d9e64 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.279 CCOc1cccc(c1)C(=S)N a5adb2e2498c5c13de2caad530d0b899 [0,2,0,0,0,0|1,1,0]=4 80 B12R1.279 CCOc1cccc(n1)C(=O)N 27452b9f7387544fcbf9eab46bde7937 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.279 CCOc1cncc(c1)C(=O)N a62eea6a84c9cd731bc0b038f00d2d4b [0,2,0,0,0,0|2,0,0]=4 82 B12R1.279 NC(=O)c1cc(ccn1)NCF bad16245f2df847242376beebd3be1a6 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.279 NC(=O)c1cc(ccn1)NCO f6314c4c1d6690c7fe8ebff9889e47ff [0,2,0,0,0,0|2,0,0]=4 84 B12R1.279 NC(=O)c1cccc(c1)NC=O 808027214fbe834910cdde82cf013745 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.279 NC(=O)c1cccc(c1)NCF a95948e28e6b4cc5b7908017747eaceb [0,2,0,0,0,0|1,0,0]=3 86 B12R1.279 NC(=O)c1cccc(c1)NCO 79cf549b271ce4e9bdab4487fd16f73a [0,2,0,0,0,0|1,0,0]=3 87 B12R1.279 NC(=O)c1cccc(c1)OCF d84ad54af88b89eeee1e1c4d561ae2de [0,2,0,0,0,0|1,0,0]=3 88 B12R1.279 NC(=O)c1cccc(n1)NCF 1381d8878ea570ebb980d556d609088d [0,2,0,0,0,0|2,0,0]=4 89 B12R1.279 NC(=O)c1cccc(n1)NCO 7fd4b2a7d7aef5530d37a0063b89dbe8 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.279 NC(=O)c1cccc(n1)OCF a7d96b2721727e0bb1ef58632075de13 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.279 NC(=O)c1ccnc(c1)NCF 32014b863283575e26ec1ea708635b3e [0,2,0,0,0,0|2,0,0]=4 92 B12R1.279 NC(=O)c1ccnc(c1)NCO 2c115e993ea8a964b616a0a1bcf78ab0 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.279 NC(=O)c1cncc(c1)NCF bb7e55b319f6480d78754bc55a754f5d [0,2,0,0,0,0|2,0,0]=4 94 B12R1.279 NC(=O)c1cncc(c1)NCO c53baa3d643eb1a05f296a8f0f54f4d1 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.279 NC(=O)c1cncc(c1)OCF 34d1208e0acf87e47fa3c7136a9625c9 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.279 NC(=S)c1cccc(c1)NCF d5b7365826ad45e8b0dab45a82974fa2 [0,2,0,0,0,0|1,1,0]=4 97 B12R1.279 NC(=S)c1cccc(c1)NCO 13c10145b112bb045f141572a1927f69 [0,2,0,0,0,0|1,1,0]=4 98 B12R1.279 NC(=S)c1cccc(c1)OCF 1640965ea1c7a317546b5cfe94e02159 [0,2,0,0,0,0|1,1,0]=4 99 B12R1.279 O=C(O)c1cccc(c1)NCF 20db4dc21f1814b01f986abf27cb7413 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.279 O=C(O)c1cccc(c1)NCO 2ed5681af03b5fc357f16f5e624da5aa [0,2,0,0,0,0|2,0,0]=4 101 B12R1.279 O=C(O)c1cccc(c1)OCF cea9eeeaed82f83e1b2260b1e8990138 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [1,0,0,0,0,1|1,0,1]=4 103 B12R1.226 CC(=O)CNc1ccc[n+](c1)[O-] 59e9dba962c06b745303cdbdb20759b9 [0,0,0,0,0,2|2,0,0]=4 104 B12R1.226 CC(=O)CNc1cccc(c1)C 33e32618ff2915ad648437dd5dce6cbd [0,0,0,0,0,2|2,0,0]=4 105 B12R1.226 CC(=O)NCc1ccc[n+](c1)[O-] 24275597d47510c3e041f2e83bfada16 [0,0,0,0,0,2|2,0,0]=4 106 B12R1.226 CC(=O)NCc1cccc(c1)C 2a897b53ee5ae4ee12831959238615eb [0,0,0,0,0,2|2,0,0]=4 107 B12R1.226 Cc1cc(ccn1)NCC(=O)N 3f5b02efa52eae4b376cd59b017e1b21 [0,0,0,0,0,2|2,0,0]=4 108 B12R1.226 Cc1cc(ccn1)OCC(=O)N 799f1c59a1c4c23415ae498e8ee3465b [0,0,0,0,0,2|2,0,0]=4 109 B12R1.226 Cc1cccc(c1)NCC(=O)N a9478d56f33114bd167b963cb61b2fc8 [0,0,0,0,0,2|1,0,0]=3 110 B12R1.226 Cc1cccc(c1)NCC(=O)O 70649742ccf1605dab9ff92fff0b0048 [0,0,0,0,0,2|2,0,0]=4 111 B12R1.226 Cc1cccc(c1)OCC(=O)N 16a44453f170d65f64f00cf1d07bc09c [0,0,0,0,0,2|1,0,0]=3 112 B12R1.226 Cc1cccc(c1)OCC(=O)O 786604a4d9b6b5a28358b6494e3779c8 [0,0,0,0,0,2|2,0,0]=4 113 B12R1.226 Cc1cccc(n1)NCC(=O)N b2a9b4cf38d9bb3052ea5fc866c2fbd4 [0,0,0,0,0,2|2,0,0]=4 114 B12R1.226 Cc1cccc(n1)OCC(=O)N f9f4894bbc4cf2230fd0558e0990acf9 [0,0,0,0,0,2|2,0,0]=4 115 B12R1.226 Cc1ccnc(c1)NCC(=O)N 098c11ebb7239ab4c3b0d98f72a046c1 [0,0,0,0,0,2|2,0,0]=4 116 B12R1.226 Cc1ccnc(c1)OCC(=O)N da857bd2df10fb254977a501bc2751e0 [0,0,0,0,0,2|2,0,0]=4 117 B12R1.226 Cc1cncc(c1)NCC(=O)N 4e7c50a224789187deab4b87d59597ed [0,0,0,0,0,2|2,0,0]=4 118 B12R1.226 Cc1cncc(c1)OCC(=O)N b97c3fe589c7c62edd1b427d190db85d [0,0,0,0,0,2|2,0,0]=4 119 B12R1.226 NC(=O)CNc1c[n+](ccn1)[O-] 3bee4056218f66badd22d2364d722bc7 [0,0,0,0,0,2|2,0,0]=4 120 B12R1.226 NC(=O)CNc1ccc[n+](c1)[O-] f3557150ecefc00383bcf7e1b0cebb51 [0,0,0,0,0,2|1,0,0]=3 121 B12R1.226 NC(=O)CNc1cccc(c1)Br 1fa92b424710cdd32ccc83698af8a489 [0,0,0,0,0,2|2,0,0]=4 122 B12R1.226 NC(=O)CNc1cccc(c1)Cl 633449aca68c61fa826063582607add2 [0,0,0,0,0,2|2,0,0]=4 123 B12R1.226 NC(=O)CNc1cccc(c1)F f67b34e3787e3af63031ca2fd7178c98 [0,0,0,0,0,2|2,0,0]=4 124 B12R1.226 NC(=O)CNc1cccc(c1)I ea87ac3617e67c565ed3800d927b1a87 [0,0,0,0,0,2|2,0,0]=4 125 B12R1.226 NC(=O)CNc1cccc(c1)O c44a65702a6d036759281ac782dd5ede [0,0,0,0,0,2|2,0,0]=4 126 B12R1.226 NC(=O)CNc1cccc(c1)S 5de91036b869d8c11981bfc0c41c2610 [0,0,0,0,0,2|2,0,0]=4 127 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] cf93384d26108ec4dc3598155b93500a [0,0,0,0,0,2|1,0,0]=3 128 B12R1.226 NC(=O)COc1cccc(c1)Br d3bb55fc4691dbb8aaab47c250dbcd81 [0,0,0,0,0,2|2,0,0]=4 129 B12R1.226 NC(=O)COc1cccc(c1)Cl 2cb1cc0bd79b93839dba923e4604e82c [0,0,0,0,0,2|2,0,0]=4 130 B12R1.226 NC(=O)COc1cccc(c1)F e0813cb454b91f21072a6dbc28059baa [0,0,0,0,0,2|2,0,0]=4 131 B12R1.226 NC(=O)COc1cccc(c1)I 9421084bb6ad63572f272ac89d98dd82 [0,0,0,0,0,2|2,0,0]=4 132 B12R1.226 NC(=O)COc1cccc(c1)S 0f945b160963d4de58405c72e7e102b0 [0,0,0,0,0,2|2,0,0]=4 133 B12R1.226 O=C(O)COc1ccc[n+](c1)[O-] 876c34db6e863bb32b38e626b9bc519f [0,0,0,0,0,2|2,0,0]=4