0 B11R1.22 CN(C=O)c1ccc(cc1)Br 9862ed13c945c79fb65fa51787bd2093 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.22 CN(C=O)c1ccc(cc1)Cl d432c23837319192897a660c45f339ba [0,1,0,0,0,0|3,0,0]=4 2 B11R1.22 CN(C=O)c1ccc(cc1)F f939c668a8e6f39bb7cc93a9ebd979dd [0,1,0,0,0,0|3,0,0]=4 3 B11R1.22 CN(C=O)c1ccc(cc1)I 86b31576c767147a57657625de6a4cf6 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [0,1,0,0,0,0|2,0,0]=3 5 B11R1.22 CN(C=O)c1ccc(cc1)S f07b31b3eaa976c4ece94ae29131a1b8 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.22 CN(CO)c1ccc(cc1)Br a0ee612d9ade0f057f40eda0edee63d6 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.22 CN(CO)c1ccc(cc1)Cl 2c0dfaf13b4e02b467d222656644d816 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.22 CN(CO)c1ccc(cc1)F c1ecf99a3d9f55a2562607c88c44d1b8 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.22 CN(CO)c1ccc(cc1)I 148086324dd93cd760089e4e94a122ba [0,1,0,0,0,0|3,0,0]=4 10 B11R1.22 CN(CO)c1ccc(cc1)S 7e6f64a1230a5e349b82adbdac7f2cd1 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,0,0,0,0,1|2,0,0]=3 14 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,0,0,0,0,1|2,0,0]=3 15 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,0,0,0,0,1|2,0,0]=3 16 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,0,0,0,0,1|1,0,0]=2 17 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,0,0,0,0,1|1,1,0]=3 18 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.20 CC(=O)Nc1ccc(cn1)F 3f83a13c2f6c9200683a59445f5568b5 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.20 CC(=O)Nc1ccc(cn1)I f69d5717020ba5469ac098b5ee595c2e [0,0,0,0,0,1|3,0,0]=4 21 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [0,0,0,0,0,1|2,0,0]=3 22 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,0,0,0,0,1|3,0,0]=4 25 B11R1.20 CC(=O)Nc1ccc(nn1)O 446c9b33355b6db90284ef3ae74ace6f [0,0,0,0,0,1|3,0,0]=4 26 B10R0.86 C=CC(NC/C=C\O)C(=O)O 336a6e44513dd2bb4fb779203d512ce0 [0,1,1,0,0,0|0,0,2]=4 27 B10R0.86 C=C[C@H](NC/C=C\O)C(=O)O cd96b4f3d7ca2c0cd0f70b8b8d3a6aa0 [0,1,1,0,0,0|0,0,2]=4 28 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,1,0,0,0,0|0,1,0]=3 37 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [1,1,0,0,0,0|2,0,0]=4 38 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [1,1,0,0,0,0|2,0,0]=4 39 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [1,1,0,0,0,0|2,0,0]=4 40 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [1,1,0,0,0,0|2,0,0]=4 42 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|1,0,1]=4 45 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|1,0,1]=4 48 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|0,1,1]=4 49 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 463453bc22804ab9566c3891bab41767 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,1,0,0,0,1|1,0,1]=4 52 B12R1.4 CC(=O)Nc1ccc(cc1)CO 64a0fcf83ab5804ecc6b06daa915b61a [0,1,0,0,0,1|1,0,0]=3 53 B12R1.4 CC(=O)Nc1ccc(cn1)CO 65c6c62a0fe931d99608c37d0887213d [0,1,0,0,0,1|2,0,0]=4 54 B12R1.4 CC(=O)Nc1ccc(nc1)CO 35427dfb08c7f7c66c2665d0fb99e721 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,1,0,0,0,1|2,0,0]=4 58 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,1,0,0,0,1|2,0,0]=4 59 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,1,0,0,0,1|1,1,0]=4 60 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 86f20b792aad100bfd286ed2d5252ae6 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 7ee0d2dd2caa0515721d628874a5eba8 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O bdf455de7f67f140e539b2a142a95050 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F b713227e57e5e0503b823eb923ba0bb5 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I ed7a90185e2681cd802ad566e9d181d0 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 077b9fef8ae29c7d9e54117a0c9ba5b0 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 27fccb6a0a453f560891cad39d1c2e32 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F a02ebd1b1ff575c5cb5c287a1cb034b6 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 8348abe71ed8b00c39a42ad756a31a70 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 8de04df611312cd3db337fdb037522c8 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 95d09872727ecac138e510aecae92433 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 9cefd6ca8bedf7d6cd1c0d523b7fd2f5 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F ee7d621fa2b39c3d2264714bf88246f5 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O e86cd223d163889dbab241f77f4fc543 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C ed3b3ae7fb032b9e27879eb4fba48feb [0,1,0,0,0,1|2,0,0]=4 75 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F bde12d182329f10baf81e8a06f263003 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 7aba9e2634fc6f8640c1b7b925c89ee4 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.19 CC(=O)Nc1cnc(c(c1)C)O 9ea7c01c8dbb4e2e61ae125ae558d802 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.19 CC(=O)Nc1cnc(c(c1)F)O 792cd746ae0e82c4901b93059ea1bcb4 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.20 CC(=O)N(C)c1ccc(cc1)C bcc16cd28e7607a6ed49651a98525a59 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 4527b0d13f503bbb045589a99edc841a [0,1,0,0,0,1|2,0,0]=4 81 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 37d34db01fbe3b47709ae105489b99d9 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.20 CC(=O)N(C)c1ccc(cc1)S 2ad77fe8a37a5fd09eac6ab3959987a9 [0,1,0,0,0,1|1,1,0]=4 83 B12R1.49 C#CC(=O)Nc1ccc(cc1)C ace77eb590c7a9e38589e3663e368373 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.49 C#CC(=O)Nc1ccc(cc1)F 9ff37543b1e255de7bc1a5bea6369b0c [0,1,0,0,0,1|2,0,0]=4 85 B12R1.49 C#CC(=O)Nc1ccc(cc1)I a513f84544e8c665d559733003b7b511 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.49 C#CC(=O)Nc1ccc(cc1)O 2919883b2a2b3f4cd41342ad4259b466 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.49 C#CC(=O)Nc1ccc(cc1)S 782ce90740b106c0d6e3248ef3a27009 [0,1,0,0,0,1|1,1,0]=4 88 B12R1.49 C#CC(=O)Nc1ccc(cn1)O b80c6e783e80098dd7a2c4eae7a674d4 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 6cecec7955feef2076bf8351c0460270 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 2bb9c415f93b91b1fc81d811241ce339 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 52f6038791beadcf2443ea721c275a78 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 705a7bd65ef53db87c3ccc3667181fd2 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 33b107a2733fcd228990a0271285ccb8 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 4e8fbb1ed030dd9d83f4fcdb7e73d74f [0,1,0,0,0,1|1,0,0]=3 95 B12R1.49 C=CC(=O)Nc1ccc(cc1)S aee5e347f86bd4454672bdd2818d9731 [0,1,0,0,0,1|1,1,0]=4 96 B12R1.49 C=CC(=O)Nc1ccc(cn1)O 7d238a110d211c71883e1619b31fd724 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|2,0,0]=4 100 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|1,1,0]=4 101 B12R1.49 CCC(=O)Nc1ccc(cn1)O 5923874205a8d7f3bceda9e8b97faed2 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.49 CN(C=O)Cc1ccc(cc1)O 80e222d89d86f57d15087977ffec02ba [0,1,0,0,0,1|2,0,0]=4 103 B12R1.49 Cc1ccc(cc1)NC(=O)C=O 8b3e573e7a74e87e746c2bc81ca07e70 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.49 Cc1ccc(nc1)NC(=O)CO ec46040fa59e290e8401962704687684 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.49 O=C(CF)Nc1ccc(cc1)S ffd007f6d429c4cc01bc35a0a9bc0c4b [0,1,0,0,0,1|1,1,0]=4 106 B12R1.49 O=C(CF)Nc1ccc(cn1)O 87826ed734b098cab940c5cf552cd490 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.49 O=C(CO)Nc1ccc(cc1)S 1f7438a0d638af8df2912f2825545a62 [0,1,0,0,0,1|0,1,0]=3 108 B12R1.49 O=C(CO)Nc1ccc(cn1)F c6568bc6aebb2926a763957a15421a19 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.49 O=C(CO)Nc1ccc(cn1)I 4f93db6f85dfa0fce5ea3b5f67b5b2f7 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.49 O=C(CO)Nc1ccc(cn1)O 45f150174cd35a219a878d50a9e61546 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.49 O=C(CO)Nc1ccc(nn1)O 16e3fc38458eb6e8c70242c06991af5b [0,1,0,0,0,1|2,0,0]=4 112 B12R1.49 O=C(CS)Nc1ccc(cc1)S dd44512130a111ab4104d09216220ff1 [0,1,0,0,0,1|0,2,0]=4 113 B12R1.49 O=CC(=O)Nc1ccc(cc1)Br fc5a95154d25e5b30033e4955486052d [0,1,0,0,0,1|1,0,1]=4 114 B12R1.49 O=CC(=O)Nc1ccc(cc1)Cl 681dbcba30adac27f90acb5611705f13 [0,1,0,0,0,1|1,0,1]=4 115 B12R1.49 O=CC(=O)Nc1ccc(cc1)F 52ce11eaba00fcec9a2f58fdbba6fe7e [0,1,0,0,0,1|1,0,1]=4 116 B12R1.49 O=CC(=O)Nc1ccc(cc1)I 3baa48a55426055740ecacff89a9f6a4 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.49 O=CC(=O)Nc1ccc(cc1)O 0ba7f76c16b99887af7eca1898068955 [0,1,0,0,0,1|0,0,1]=3 118 B12R1.49 O=CC(=O)Nc1ccc(cc1)S 4c0e76f97aa43d9cd9065d3d4295f4e7 [0,1,0,0,0,1|0,1,1]=4 119 B12R1.49 O=CC(=O)Nc1ccc(cn1)O 9066774a3a55ae44a5b8372cbf77713f [0,1,0,0,0,1|1,0,1]=4 120 B12R1.233 CC(=O)Nc1ccc(cc1C)F 6effe6c419b171abe99cda77f2e5dcc3 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F df6d526ffb5fb4a5d963d500771b83ea [0,1,0,0,0,1|2,0,0]=4 122 B12R1.233 CC(=O)Nc1ccc(cc1F)F b65ab25455e69a169f5b136cadbac268 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.233 CC(=O)Nc1ccc(cc1F)I e6d495e70c9b1db8af502f1604a636d8 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.233 CC(=O)Nc1ccc(cc1F)O fbdfb9966ab874f8489dc3a00afeec1a [0,1,0,0,0,1|1,0,0]=3 125 B12R1.233 CC(=O)Nc1ccc(cc1F)S fb7fc80c99059cbd4f220141efcbd512 [0,1,0,0,0,1|1,1,0]=4 126 B12R1.233 CC(=O)Nc1ccc(cc1I)C d15805688d47027a3020102488ee9d04 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.233 CC(=O)Nc1ccc(cc1I)F b2288b80288d1d1aa5c111501da24ffe [0,1,0,0,0,1|2,0,0]=4 128 B12R1.233 CC(=O)Nc1ccc(cc1I)I 62dec27db7d9a3d544935c827efb7be8 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.233 CC(=O)Nc1ccc(cc1I)O 7c3187e966eb6eb57d814841260e91e7 [0,1,0,0,0,1|1,0,0]=3 130 B12R1.233 CC(=O)Nc1ccc(cc1O)F 20f59f27d52b6aa50576a8b1d1658c96 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.233 CC(=O)Nc1ccc(cc1S)F 0e3667b2448731b7fb6079c37209a1b7 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.5 CN(C=O)c1ccc(cc1)CO 4b23626adf970e3b6af26fbf287ac0c8 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.5 CN(CO)c1ccc(cc1)CO 5b96ff845683778ecc9957d4d3f78bea [0,2,0,0,0,0|2,0,0]=4 134 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,2,0,0,0,0|2,0,0]=4 135 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,2,0,0,0,0|2,0,0]=4 136 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,2,0,0,0,0|2,0,0]=4 138 B12R1.113 CC(=O)c1ccc(cc1)NC#N 2e1077cad859299940af320efde8e0c2 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,2,0,0,0,0|1,0,1]=4 140 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,2,0,0,0,0|2,0,0]=4 141 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,2,0,0,0,0|2,0,0]=4 146 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,2,0,0,0,0|2,0,0]=4 147 B12R1.113 CC(O)c1ccc(cc1)NCO 74c9a6dba78830dd2b3ade1c19be4252 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,2,0,0,0,0|1,0,0]=3 151 B12R1.113 CCNc1ccc(cn1)C(=O)O 445772db4ba156b9fc509f371a250977 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.113 CCNc1ccc(nc1)C(=O)O 3d4b3f9334a92c9c81fda99edc5d14cb [0,2,0,0,0,0|2,0,0]=4 153 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,2,0,0,0,0|1,1,0]=4 157 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,2,0,0,0,0|2,0,0]=4 158 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,2,0,0,0,0|2,0,0]=4 161 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,2,0,0,0,0|2,0,0]=4 163 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,2,0,0,0,0|1,0,0]=3 165 B12R1.113 CCOc1cnc(cn1)C(=O)O 0484c5c7dc824956e213587b23ea40fd [0,2,0,0,0,0|2,0,0]=4 166 B12R1.113 CCOc1cnc(nc1)C(=O)O fbe8379a55ae64e80fa7525c142ab2d8 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.113 CCOc1ncc(cn1)C(=O)O 90a69f95b14105950e0746af889bf203 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.113 NC(=O)c1ccc(cc1)NC=O 9fb7ff943e0b6470f967c00a5d8db744 [0,2,0,0,0,0|1,0,1]=4 171 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,2,0,0,0,0|2,0,0]=4 177 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,2,0,0,0,0|2,0,0]=4 178 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,2,0,0,0,0|1,1,0]=4 179 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,2,0,0,0,0|1,1,0]=4 180 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,2,0,0,0,0|1,0,0]=3 181 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,2,0,0,0,0|0,0,0]=2 182 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,2,0,0,0,0|0,0,0]=2 183 B12R1.113 O=C(O)c1ccc(cn1)NCF c501499687dc9c0943ab4dce188bad34 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,2,0,0,0,0|1,0,0]=3 186 B12R1.113 O=C(O)c1ccc(nc1)NCF 01ec063e90a19546acfac6915f960b28 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,2,0,0,0,0|1,0,0]=3 188 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.113 O=C(O)c1ccc(nn1)NCO e11a208ec2a20433d0370b4a19c4d4d2 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.113 O=C(O)c1cnc(cn1)NCO 921d02e8cf263355a86d651e6cedf6a1 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.113 O=C(O)c1cnc(cn1)OCF d14c93ac542612ac50df3149286a6c8b [0,2,0,0,0,0|2,0,0]=4 192 B12R1.113 O=C(O)c1cnc(nc1)NCO a1835aa5cd4fe84943dde2039f4d6d75 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.113 O=C(O)c1cnc(nc1)OCF d8c4e25264ec4566a8f9a1932e56de96 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.113 O=C(O)c1ncc(cn1)NCO a2111b96b55ed8ae8f3217dd3dc7cb84 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.113 O=C(O)c1ncc(cn1)OCF 6f60440f851880ab1b38ec75523e5ea3 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,2,0,0,0,0|1,0,1]=4 197 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.16 CC(NC=O)c1ccc(cc1)O 780ccb482900816d5583401c25a067a8 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.16 C[C@@H](NC=O)c1ccc(cc1)O 8ddca235e244438dd47aa40b48c86cd2 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.16 C[C@H](NC=O)c1ccc(cc1)O 89da72b6ae407036db86e3fe7542cc39 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.16 Cc1ccc(cc1)C(=O)NC#N db9c029ca258c4ca02cc9c2e6a5bd644 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.16 N#CNC(=O)c1ccc(cc1)Br a99b0fc0654d043ac7ce11f3747c4d29 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.16 N#CNC(=O)c1ccc(cc1)Cl ba54d20ca571a54a3528edc3d2dd1d85 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.16 N#CNC(=O)c1ccc(cc1)F 9c493ddeafce1b54e4e15966e3479758 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.16 N#CNC(=O)c1ccc(cc1)I 321a9b79bb1811f58697ecdae7bb89cd [0,2,0,0,0,0|2,0,0]=4 207 B12R1.16 N#CNC(=O)c1ccc(cc1)O 772a9f4515185f04385bbd2d486c3994 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.16 N#CNC(=O)c1ccc(cc1)S 954b2a211483b0165b3c135e0f2947a6 [0,2,0,0,0,0|1,1,0]=4 209 B12R1.16 N#CNC(=O)c1ccc(cn1)O 4603ef5900d5790dec9301de49d90d75 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.16 N#CNC(=O)c1ccc(nc1)O 03a35c58574dd25339f2a66e88e1777c [0,2,0,0,0,0|2,0,0]=4 211 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [1,0,0,0,0,1|2,0,0]=4 212 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [1,0,0,0,0,1|2,0,0]=4 213 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [1,0,0,0,0,1|2,0,0]=4 214 B12R1.21 CC(=O)CNc1ccc(cc1)C c6df41938fb73851720b8d504c48231e [0,0,0,0,0,2|2,0,0]=4 215 B12R1.21 CC(=O)CNc1ccc(cc1)F 9780023b225d3200ffd10d583c37ffdb [0,0,0,0,0,2|2,0,0]=4 216 B12R1.21 CC(=O)CNc1ccc(cc1)S 423de7376f76e98fc0bb1a5337720e0a [0,0,0,0,0,2|1,1,0]=4 217 B12R1.21 CC(=O)NCc1ccc(cc1)Br d2cc47a2d2f5d0454a6ab6aa9be01b2e [0,0,0,0,0,2|2,0,0]=4 218 B12R1.21 CC(=O)NCc1ccc(cc1)C 6d1c8fe2cbf40141f0ff7216820c0ba5 [0,0,0,0,0,2|2,0,0]=4 219 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 932ef7783d78c6800f8298437d4b88f9 [0,0,0,0,0,2|2,0,0]=4 220 B12R1.21 CC(=O)NCc1ccc(cc1)F c15fb7f7daa1d8d13002cf39462c9e3a [0,0,0,0,0,2|2,0,0]=4 221 B12R1.21 CC(=O)NCc1ccc(cc1)I 638cbc421d0f9cd22ecaa35e0d864cbc [0,0,0,0,0,2|2,0,0]=4 222 B12R1.21 CC(=O)NCc1ccc(cc1)O 3eb259396d79ab6b5f53bb6ff52007c0 [0,0,0,0,0,2|1,0,0]=3 223 B12R1.21 CC(=O)NCc1ccc(cn1)O 7406aaf103c654960018dd961b73cac8 [0,0,0,0,0,2|2,0,0]=4 224 B12R1.21 Cc1ccc(cc1)NCC(=O)N 1f37a5662ec11ffdbe6836fff26fabe0 [0,0,0,0,0,2|2,0,0]=4 225 B12R1.21 Cc1ccc(cc1)NCC(=O)O 74e964dee6b2c45f80d52be884637f2a [0,0,0,0,0,2|1,0,0]=3 226 B12R1.21 Cc1ccc(cc1)OCC(=O)N b4e2c91dcf7aaab8af6b590dd58d5a8f [0,0,0,0,0,2|2,0,0]=4 227 B12R1.21 Cc1ccc(cc1)OCC(=O)O b391ad11299a568c97edf041fe65000c [0,0,0,0,0,2|1,0,0]=3 228 B12R1.21 Cc1ccc(cn1)NCC(=O)O 58bb41a7876380d1226dd9fd2bd2a019 [0,0,0,0,0,2|2,0,0]=4 229 B12R1.21 Cc1ccc(cn1)OCC(=O)O 12eb6b676eef622f5f2e7d8946a33456 [0,0,0,0,0,2|2,0,0]=4 230 B12R1.21 Cc1ccc(nc1)NCC(=O)O 16ad7dfa06fb8a87f559fea40c29a6b3 [0,0,0,0,0,2|2,0,0]=4 231 B12R1.21 Cc1ccc(nc1)OCC(=O)O 401776df19e31ac45d79bb09b4fc2086 [0,0,0,0,0,2|2,0,0]=4 232 B12R1.21 NC(=O)CNc1ccc(cc1)Br 641d17fcc9e97442b8d2a64b84c3fd3a [0,0,0,0,0,2|2,0,0]=4 233 B12R1.21 NC(=O)CNc1ccc(cc1)Cl b14233821247556cb03ba5cb7bea87cd [0,0,0,0,0,2|2,0,0]=4 234 B12R1.21 NC(=O)CNc1ccc(cc1)F 1c65ab173611560a41ddaa788ee7884f [0,0,0,0,0,2|2,0,0]=4 235 B12R1.21 NC(=O)CNc1ccc(cc1)I ba88c86be3b8263f20e7d78d60da7c19 [0,0,0,0,0,2|2,0,0]=4 236 B12R1.21 NC(=O)CNc1ccc(cc1)S bca84c320f65c493994a9ce7f5641d8f [0,0,0,0,0,2|1,1,0]=4 237 B12R1.21 NC(=O)COc1ccc(cc1)Br 5233c32938bf3208d8553a5431e6ab1d [0,0,0,0,0,2|2,0,0]=4 238 B12R1.21 NC(=O)COc1ccc(cc1)Cl f2788d19d1b3c6a844fb66c37a87f101 [0,0,0,0,0,2|2,0,0]=4 239 B12R1.21 NC(=O)COc1ccc(cc1)F 9f1bf4cb48f50f841f07648bbbc5f22f [0,0,0,0,0,2|2,0,0]=4 240 B12R1.21 NC(=O)COc1ccc(cc1)I 4ae216c9f5b789cc2bd1f97c85e328c9 [0,0,0,0,0,2|2,0,0]=4 241 B12R1.21 NC(=O)COc1ccc(cc1)S a84c625e8f5bdfd8f51c2b9a40310f35 [0,0,0,0,0,2|1,1,0]=4 242 B12R1.21 O=C(O)CNc1ccc(=O)[nH]c1 d3ed6d07b274e6e1dc177aec27037938 [0,0,0,0,0,2|1,0,1]=4 243 B12R1.21 O=C(O)CNc1ccc(cc1)Br 7da0d863f5bb29f83e0c10f1f7c0547e [0,0,0,0,0,2|1,0,0]=3 244 B12R1.21 O=C(O)CNc1ccc(cc1)Cl ecfcb6d7f6b9c05aeb6ab6499e94dfa4 [0,0,0,0,0,2|1,0,0]=3 245 B12R1.21 O=C(O)CNc1ccc(cc1)F 4e89215ad65c56d949cab153f0ac84e0 [0,0,0,0,0,2|1,0,0]=3 246 B12R1.21 O=C(O)CNc1ccc(cc1)I 2ba461660eb79ccc00a06823117a48dd [0,0,0,0,0,2|1,0,0]=3 247 B12R1.21 O=C(O)CNc1ccc(cc1)S f20c646ff83492b8833296086758cc6a [0,0,0,0,0,2|0,1,0]=3 248 B12R1.21 O=C(O)CNc1ccc(cn1)Br 08413343e0ee097f66c9d63f1e7b599b [0,0,0,0,0,2|2,0,0]=4 249 B12R1.21 O=C(O)CNc1ccc(cn1)Cl c8ff8224e88db321497805314c743b08 [0,0,0,0,0,2|2,0,0]=4 250 B12R1.21 O=C(O)CNc1ccc(cn1)F d2d8f806eb89f79bda747a9b5570be7a [0,0,0,0,0,2|2,0,0]=4 251 B12R1.21 O=C(O)CNc1ccc(cn1)I 037b8a8e37da7d32edfbdaa7874821a9 [0,0,0,0,0,2|2,0,0]=4 252 B12R1.21 O=C(O)CNc1ccc(nc1)Br 2b883a06b5e94a86c2d638a54523f00b [0,0,0,0,0,2|2,0,0]=4 253 B12R1.21 O=C(O)CNc1ccc(nc1)Cl 151411d8ecfbbbbc6790b1b924901629 [0,0,0,0,0,2|2,0,0]=4 254 B12R1.21 O=C(O)CNc1ccc(nc1)F a9157fb003fd0586c8e54b2b35f90be5 [0,0,0,0,0,2|2,0,0]=4 255 B12R1.21 O=C(O)CNc1ccc(nc1)I 4dd66507ff5c64633d53c0986419a8c2 [0,0,0,0,0,2|2,0,0]=4 256 B12R1.21 O=C(O)COc1ccc(cc1)Br b2e258860e40223ee9da79dbd882e7d5 [0,0,0,0,0,2|1,0,0]=3 257 B12R1.21 O=C(O)COc1ccc(cc1)Cl 28aa8b483311aaf8605303390d0ded6a [0,0,0,0,0,2|1,0,0]=3 258 B12R1.21 O=C(O)COc1ccc(cc1)F a0f040c73294c1633c8e3593094e773e [0,0,0,0,0,2|1,0,0]=3 259 B12R1.21 O=C(O)COc1ccc(cc1)I d32cb6deb654e7f5efc087ff2ed69aa0 [0,0,0,0,0,2|1,0,0]=3 260 B12R1.21 O=C(O)COc1ccc(cc1)S 8835852d462b385559e65d146a31e233 [0,0,0,0,0,2|0,1,0]=3 261 B12R1.21 O=C(O)COc1ccc(cn1)Cl cf48e1e9b9aa13bd427b6e000a32fc1f [0,0,0,0,0,2|2,0,0]=4 262 B12R1.21 O=C(O)COc1ccc(cn1)F 3f470fa1fe9c5b090bde32fe8f6fbffb [0,0,0,0,0,2|2,0,0]=4 263 B12R1.21 O=C(O)COc1ccc(cn1)I ce7b34f91f6236f7c717d746c5fcfe8f [0,0,0,0,0,2|2,0,0]=4 264 B12R1.21 O=C(O)COc1ccc(nc1)Br 5a6a376d5c4d9f5b31a3150f18474250 [0,0,0,0,0,2|2,0,0]=4 265 B12R1.21 O=C(O)COc1ccc(nc1)Cl 0816d2e7bdacde195549f4db419c0bb2 [0,0,0,0,0,2|2,0,0]=4 266 B12R1.21 O=C(O)COc1ccc(nc1)F b6831ae789dcb9f8c168d4f4437daea6 [0,0,0,0,0,2|2,0,0]=4 267 B12R1.21 O=C(O)COc1ccc(nc1)I 6d747b6a5c83b7fb5e7ef1d36e36551d [0,0,0,0,0,2|2,0,0]=4