0 B12R1.17 C=CCN(C)c1cccc(c1)O b2f2ef5ecbd5593bb729a5e0e49d0c58 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.17 CC(NC=O)c1cccc(c1)O 2c8a8b6d99b918ad5a3f4b13f5fefc68 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.17 CCCN(C)c1cccc(c1)Br 7eb75a8250f95c9697df4917ec6489ae [0,0,0,0,0,0|4,0,0]=4 3 B12R1.17 CCCN(C)c1cccc(c1)Cl 07e726c51710591c3cf839ae947b1a42 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.17 CCCN(C)c1cccc(c1)F af9295ec07040c2649b20d250b5d0681 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.17 CCCN(C)c1cccc(c1)I 91e551f84de58d84b25877bbf8b8f4e6 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,0,0,0,0,0|4,0,0]=4 7 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,0,0,0,0,0|4,0,0]=4 8 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,0,0,0,0,0|4,0,0]=4 11 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,0,0,0,0,0|4,0,0]=4 12 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,0,0,0,0,0|4,0,0]=4 16 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,0,0,0,0,0|4,0,0]=4 17 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,0,0,0,0,0|4,0,0]=4 18 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,0,0,0,0,0|4,0,0]=4 21 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,0,0,0,0,0|4,0,0]=4 28 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,0,0,0,0,0|4,0,0]=4 32 B12R1.17 COCN(C)c1cccc(c1)Br a0b6a01e8a8e903112d08a0ad1b791c6 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.17 COCN(C)c1cccc(c1)C 2630b7af0f24b4920d1bb44ad2a618b8 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.17 COCN(C)c1cccc(c1)Cl c412e0aedf878ea54434f0cf1a2ff9d0 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.17 COCN(C)c1cccc(c1)F 1625ecf140c7f5483d83bb16cd4a78c2 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.17 COCN(C)c1cccc(c1)I 783d0176762cb36e227b85f37b36850b [0,0,0,0,0,0|4,0,0]=4 37 B12R1.17 CSCN(C)c1cccc(c1)Br 795a330043d197d455a0dbb4dd1faaeb [0,0,0,0,0,0|4,0,0]=4 38 B12R1.17 CSCN(C)c1cccc(c1)C 188b9968f6619e59b627ae3886714e8c [0,0,0,0,0,0|4,0,0]=4 39 B12R1.17 CSCN(C)c1cccc(c1)Cl efd04b0516ef59374bbc13602c9800ea [0,0,0,0,0,0|4,0,0]=4 40 B12R1.17 CSCN(C)c1cccc(c1)F e8614a48c46dd0af03a86d07738bdaa7 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.17 CSCN(C)c1cccc(c1)I 255d6996cb175d8309fe361d85d8aa1e [0,0,0,0,0,0|4,0,0]=4 42 B12R1.17 C[C@@H](NC=O)c1cccc(c1)O bb164cc9a9d0db21437c3f39f1bc5b59 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.17 C[C@H](NC=O)c1cccc(c1)O ac64b60170e17222c81c7148f30e63e8 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [1,0,0,0,0,0|3,0,0]=4 45 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [1,0,0,0,0,0|3,0,0]=4 47 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [1,0,0,0,0,0|3,0,0]=4 49 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [1,0,0,0,0,0|3,0,0]=4 52 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [1,0,0,0,0,0|3,0,0]=4 53 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [1,0,0,0,0,0|3,0,0]=4 54 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.24 CCCNc1cccc(c1)Br acb1f2bb5e7b1b5520f3f6cb5aa22aaf [1,0,0,0,0,0|3,0,0]=4 56 B11R1.24 CCCNc1cccc(c1)C e421761759f1c746a8f404b8a3a2f9e1 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.24 CCCNc1cccc(c1)Cl 5f3ddf9c366c2329c81257ae31beedbd [1,0,0,0,0,0|3,0,0]=4 58 B11R1.24 CCCNc1cccc(c1)F ea1b244e71e5a96c27eaf1a47c4045c2 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.24 CCCNc1cccc(c1)I 25b73dbb892b7f389897d5a43a220453 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.24 CCCNc1cccc(c1)S 225c14a2af7bde79a1ce2cf37e4d273b [1,0,0,0,0,0|2,1,0]=4 61 B11R1.24 CCCOc1cccc(c1)Br a13e2d3b97569660f2094ead5808f8a1 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.24 CCCOc1cccc(c1)C d7061e70aaece534ca2df7008d458f1f [1,0,0,0,0,0|3,0,0]=4 63 B11R1.24 CCCOc1cccc(c1)Cl dd576836e51eec77f1708e34dc442061 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.24 CCCOc1cccc(c1)F cef2c69d3852855819ee350cb218d7bc [1,0,0,0,0,0|3,0,0]=4 65 B11R1.24 CCCOc1cccc(c1)I 5e7b3431fe9595b36463e1f6c0c6091a [1,0,0,0,0,0|3,0,0]=4 66 B11R1.24 CCCOc1cccc(c1)S 9cc4d5ce9f1a372f0235b118438f64df [1,0,0,0,0,0|2,1,0]=4 67 B11R1.24 CCNCc1cccc(c1)Br 7cc097aea1efe8376684166a5d7a74a3 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.24 CCNCc1cccc(c1)C 8711965bd65b9b9cae0b5574aaf9df19 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.24 CCNCc1cccc(c1)Cl 35f4a4fcd3415e84e248be1142a75e6e [1,0,0,0,0,0|3,0,0]=4 70 B11R1.24 CCNCc1cccc(c1)F a045945dd7664750cd4517426a30ddec [1,0,0,0,0,0|3,0,0]=4 71 B11R1.24 CCNCc1cccc(c1)I a0250fe998532bc25a8c10c3d959951b [1,0,0,0,0,0|3,0,0]=4 72 B11R1.24 CCOCc1cccc(c1)Br 68ab38873ddd37fd78370dbba526e703 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.24 CCOCc1cccc(c1)C a074366dc5260a76a26e1b3a17ce68f7 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.24 CCOCc1cccc(c1)Cl 8933445146c771b808a03b867c201e1e [1,0,0,0,0,0|3,0,0]=4 75 B11R1.24 CCOCc1cccc(c1)F 01b8eda252200f38637020bb494cc211 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.24 CCOCc1cccc(c1)I ee21a715b45c835bc7170e7ff62f202c [1,0,0,0,0,0|3,0,0]=4 77 B11R1.24 COCNc1cccc(c1)Br 54ab518230cb656eb7b0f706a3b2523d [1,0,0,0,0,0|3,0,0]=4 78 B11R1.24 COCNc1cccc(c1)C e40cafddbc69f7d986c84fd2fd7b2e65 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.24 COCNc1cccc(c1)Cl 5fec63d5af13dc5d09181347c67375b7 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.24 COCNc1cccc(c1)F a32f433ac1e292f556ca8a506f48aba3 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.24 COCNc1cccc(c1)I 5e0a4810bcf60771391fa32e6e53c7f0 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.24 COCNc1cccc(c1)S 7a5e42ef93f395ab2ea451d763121924 [1,0,0,0,0,0|2,1,0]=4 83 B11R1.24 COCOc1cccc(c1)Br 2a6abf33039da8d6a127bf06afc59684 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.24 COCOc1cccc(c1)C 7f6034c6ce7e0cf435553f03c34eb3b4 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.24 COCOc1cccc(c1)Cl 48ebca3e91d1b94d31eb01f0ebd1d5f5 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.24 COCOc1cccc(c1)F 57852b600c5c4949aa6afcf99594de8a [1,0,0,0,0,0|3,0,0]=4 87 B11R1.24 COCOc1cccc(c1)I dc0a1558ee1d114659f7cd3e8038db45 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.24 COCOc1cccc(c1)S 41f2d43a0582d926af82f7cd52bdead1 [1,0,0,0,0,0|2,1,0]=4 89 B11R1.24 CSCNc1cccc(c1)Br 29a70d1c57b2a6862900b92143c88670 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.24 CSCNc1cccc(c1)C c0825a11246fc57479dbaf679e542a1e [1,0,0,0,0,0|3,0,0]=4 91 B11R1.24 CSCNc1cccc(c1)Cl f4c5ef06861d0e83dfcececc5dd6c4c5 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.24 CSCNc1cccc(c1)F 5fd25ec6b3de63445bbe39f47d6bd6b1 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.24 CSCNc1cccc(c1)I 6760b1b4a0cbda7b058b59cca3341fc5 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.24 CSCNc1cccc(c1)S 82af3cc22613e1ec78dab2837f1b662e [1,0,0,0,0,0|2,1,0]=4 95 B11R1.24 CSCOc1cccc(c1)Br 2fc2decfaeed8e2637e59ef79e480e2e [1,0,0,0,0,0|3,0,0]=4 96 B11R1.24 CSCOc1cccc(c1)C 3bbece07bfd11b6c7fccb7bd794595e6 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.24 CSCOc1cccc(c1)Cl d969539c0fc634f8b06467139de899ee [1,0,0,0,0,0|3,0,0]=4 98 B11R1.24 CSCOc1cccc(c1)F 9962e38297c29e8aa2aa2e5b5084ce29 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.24 CSCOc1cccc(c1)I f67cf1bee76b71349f1961d39d8971e2 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.24 CSCOc1cccc(c1)S 3789f145b0fcf7ff307990a1edfd11fc [1,0,0,0,0,0|2,1,0]=4 101 B11R1.24 O=CNCc1cccc(c1)O 5064b7b78a71b73f549eda5bd0de9ccc [1,0,0,0,0,0|3,0,0]=4 102 B11R1.24 Oc1cccc(c1)NCCS 90fb0bece5f4ef3440fd1c51e48f120a [1,0,0,0,0,0|3,0,0]=4 103 B13R1.2 CCCN(C=O)c1cccc(c1)O 8fb0b802e7e695196fe728d079f84097 [0,1,0,0,0,0|2,0,1]=4 104 B13R1.2 CCCN(CO)c1cccc(c1)Cl 108b2b8183c6ec2ccf28d614173ae74b [0,1,0,0,0,0|3,0,0]=4 105 B13R1.2 CCNC(CO)c1cccc(c1)Br 880b8a82afc3bdf6b00970903094197f [0,1,0,0,0,0|3,0,0]=4 106 B13R1.2 CCNC(CO)c1cccc(c1)C 43a45505ef0cfab145d9b1f0bdce97d7 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.2 CCNC(CO)c1cccc(c1)Cl 3a6cf292e05fdfe86e6a0b0ce322590c [0,1,0,0,0,0|3,0,0]=4 108 B13R1.2 CCNC(CO)c1cccc(c1)F 7604d27d68422499ab7b287d9bb3aff5 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Br d86f590c4db60ec924a53bd98a278456 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.2 CCN[C@@H](CO)c1cccc(c1)C 7dcb3e74abc3426c503399832572e212 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 11fd0b462902ca3ca552178d047a5fe1 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.2 CCN[C@@H](CO)c1cccc(c1)F 93c5b29077aa659933329f0d6e84498b [0,1,0,0,0,0|3,0,0]=4 113 B13R1.2 CCN[C@H](CO)c1cccc(c1)Br 946832474aa44e3e9fd5b09c2fe78b36 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 68bbf48f1ac1bc3a0bf08ee46a8ed6e2 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.2 CCN[C@H](CO)c1cccc(c1)Cl 94c6c44af6cdd20b69575e16a777d707 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 97b77986ad7b9e13d40aae0562cc1efc [0,1,0,0,0,0|3,0,0]=4 117 B13R1.18 CC(CNC=O)c1cccc(c1)Br 31174c65c1d3d23fad848f976395b9be [0,1,0,0,0,0|2,0,1]=4 118 B13R1.18 CCCNC(=O)c1cccc(c1)O 1af4609d9ab2aee9ff7ae897e816db79 [0,1,0,0,0,0|1,0,2]=4 119 B13R1.18 CCCNC(C)c1cccc(c1)Br 796102597c2b46c0a93d5ce66e1a793e [0,1,0,0,0,0|3,0,0]=4 120 B13R1.18 CCCNC(C)c1cccc(c1)C 4f2fbfa3ea7125d2a6a5878dc5690f4c [0,1,0,0,0,0|3,0,0]=4 121 B13R1.18 CCCNC(C)c1cccc(c1)Cl 601006674e7735696ab9b9936f206668 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.18 CCCNC(C)c1cccc(c1)F d04b92e81f162e80d4eca0d9f9ceec7b [0,1,0,0,0,0|3,0,0]=4 123 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Br 0b601dc72ac0de21fb684eb5069a8326 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.18 CCCN[C@@H](C)c1cccc(c1)C f9770b669f59a435072958da2d34f92f [0,1,0,0,0,0|3,0,0]=4 125 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Cl 065a11a66c1e55d07de288945abe24d2 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.18 CCCN[C@@H](C)c1cccc(c1)F 283a56e69fe1b1aefc11e478d81e1a34 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.18 CCCN[C@@H](C)c1cccc(c1)I 628c9635bf1201683d8d851262f0b8ff [0,1,0,0,0,0|3,0,0]=4 128 B13R1.18 CCCN[C@H](C)c1cccc(c1)Br 374d7dd7506bbbb80524cbc07b57f27c [0,1,0,0,0,0|3,0,0]=4 129 B13R1.18 CCCN[C@H](C)c1cccc(c1)C aad62916290a548b031af7da0a937616 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.18 CCCN[C@H](C)c1cccc(c1)Cl 4440e8a25afc35fd304bea8e0d9558af [0,1,0,0,0,0|3,0,0]=4 131 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 669aeafb2cc987d0276b312b3fece493 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.18 CCCOC(C)c1cccc(c1)Br 61bca04fcd7fbd4426bbf3802e216b26 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.18 CCCOC(C)c1cccc(c1)C 4597f8b4ce25c915a5f5c5bd61b0fba4 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.18 CCCOC(C)c1cccc(c1)Cl 8379d9f2e5cb7a95fd3de5ba8e3701ce [0,1,0,0,0,0|3,0,0]=4 135 B13R1.18 CCCOC(C)c1cccc(c1)F c9d3aad8813557bbe4a74f0fef7480e1 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.18 CCCOC(C)c1cccc(c1)I b8280cfca53799488856a9f207a166d8 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.18 CCCO[C@@H](C)c1cccc(c1)Br e1d898f01d7540ed221f9d3f367e3d3c [0,1,0,0,0,0|3,0,0]=4 138 B13R1.18 CCCO[C@@H](C)c1cccc(c1)C 724b7240fa63853157404b05671c34b5 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.18 CCCO[C@@H](C)c1cccc(c1)Cl 02693601251f226ca0106b45d627632f [0,1,0,0,0,0|3,0,0]=4 140 B13R1.18 CCCO[C@@H](C)c1cccc(c1)F eff5b33c8b44fcef7340eabb3889e022 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.18 CCCO[C@H](C)c1cccc(c1)Br e3ab901f34d8d86c8c4ef66ca439c665 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.18 CCCO[C@H](C)c1cccc(c1)C 023cecc6d849939c08fac9cb6377a80a [0,1,0,0,0,0|3,0,0]=4 143 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl a8e51750d6bf0a7b00225578549af946 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.18 CCCO[C@H](C)c1cccc(c1)F 39c2e315bd07eb18f17b75ed5a8ba5da [0,1,0,0,0,0|3,0,0]=4 145 B13R1.18 CCNCC(O)c1cccc(c1)Cl 686d5049c6ad29cd3d6884ac43d05d7a [0,1,0,0,0,0|1,0,0]=2 146 B13R1.18 COCNC(C)c1cccc(c1)Br e19e5a2dbe04120c7e20c265e698d6f4 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.18 COCNC(C)c1cccc(c1)C a465bf20ca815bb0cdd079b15d91a8f1 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.18 COCNC(C)c1cccc(c1)Cl f56d58508dc8ba97c4e2ab113559c2fc [0,1,0,0,0,0|3,0,0]=4 149 B13R1.18 COCNC(C)c1cccc(c1)F 3e584c413bf9a878c6135c6f3c9b1036 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.18 COCN[C@@H](C)c1cccc(c1)Br f26e995aa1f21a82bc16d911a06592de [0,1,0,0,0,0|3,0,0]=4 151 B13R1.18 COCN[C@@H](C)c1cccc(c1)C 2b164f878ebe3adf7c05c5e9e7221cbe [0,1,0,0,0,0|3,0,0]=4 152 B13R1.18 COCN[C@@H](C)c1cccc(c1)Cl 24dc1f4580f12a449f3140e4a03ecc2b [0,1,0,0,0,0|3,0,0]=4 153 B13R1.18 COCN[C@@H](C)c1cccc(c1)F a4b444759befb895156b1417d23fc248 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.18 COCN[C@@H](C)c1cccc(c1)I 1ce1a168fae531986b1656aed19dd0b3 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.18 COCN[C@H](C)c1cccc(c1)Br 8ddfcdb22ccef8faa32d7fa0c781daab [0,1,0,0,0,0|3,0,0]=4 156 B13R1.18 COCN[C@H](C)c1cccc(c1)C dc5cc7025ecda874cad7010b4c29b889 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.18 COCN[C@H](C)c1cccc(c1)Cl fcc5154995c069c512a836d556cbe9bf [0,1,0,0,0,0|3,0,0]=4 158 B13R1.18 COCN[C@H](C)c1cccc(c1)F 0d4910e2288030743182086ca4b2f0a0 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.18 COCOC(C)c1cccc(c1)Br 16e8c0a6c3e5b71d13f0ca631fb446c1 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.18 COCOC(C)c1cccc(c1)C 55c23b88a457ca8c91d52656450b0c94 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.18 COCOC(C)c1cccc(c1)Cl ccd7bd8e6da9e777be287f03f3ff3bc9 [0,1,0,0,0,0|3,0,0]=4 162 B13R1.18 COCOC(C)c1cccc(c1)F aea63037dab47dfa47dbdd9ec90f19a5 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.18 COCOC(C)c1cccc(c1)I ccb3aa82cdf6eeaedeab15a659fb1d3c [0,1,0,0,0,0|3,0,0]=4 164 B13R1.18 COCO[C@@H](C)c1cccc(c1)Br c133be595be03328998ffd8b40352b79 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.18 COCO[C@@H](C)c1cccc(c1)C f3f0773c28a12315d64c8c2ec94c02f8 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.18 COCO[C@@H](C)c1cccc(c1)Cl d36eeeafa6c9758d9e00eaf420d0fac2 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.18 COCO[C@@H](C)c1cccc(c1)F d1ab3c9dff22afee70a3894099d78714 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.18 COCO[C@H](C)c1cccc(c1)Br df2baf6d9d96913b3b5e5136f7775a64 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.18 COCO[C@H](C)c1cccc(c1)C 602ee01f30489fff7aa9269851522258 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.18 COCO[C@H](C)c1cccc(c1)Cl 742c1ac15f3201e71f56c432e49d8053 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.18 COCO[C@H](C)c1cccc(c1)F 8838c7020be5aaddedde3eaa47b6cd80 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.18 CSCNC(C)c1cccc(c1)Br 7e24358f520b64e28df7ea3eec1ab11d [0,1,0,0,0,0|3,0,0]=4 173 B13R1.18 CSCNC(C)c1cccc(c1)C d72a82cb89b4c84a4a076fb7b9ee90e6 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.18 CSCNC(C)c1cccc(c1)Cl a436ec3d973a200f5fefe5c8c472ec21 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.18 CSCNC(C)c1cccc(c1)F f8f9aa45bb41175cd49bf1522deb83b5 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.18 CSCN[C@@H](C)c1cccc(c1)Br 666dfd269a9c98ca19e8c47ea13d9ae9 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.18 CSCN[C@@H](C)c1cccc(c1)C cec4b54ad5d81f4ee92dbab421371368 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.18 CSCN[C@@H](C)c1cccc(c1)Cl c6e578f3a21a7cd352e0ce06c070cc67 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.18 CSCN[C@@H](C)c1cccc(c1)F cfa9b36f5227fb30071253b2a9ba9a4a [0,1,0,0,0,0|3,0,0]=4 180 B13R1.18 CSCN[C@@H](C)c1cccc(c1)I 69401da6b9f98b36c4a08800a647d5d8 [0,1,0,0,0,0|3,0,0]=4 181 B13R1.18 CSCN[C@H](C)c1cccc(c1)Br 854ef76dc81ee6bb1530bd87139cbded [0,1,0,0,0,0|3,0,0]=4 182 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 03dd761dc66e9bed94b1e150588f41e4 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.18 CSCN[C@H](C)c1cccc(c1)Cl 50dcae27bd440f92622761d8ea665577 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.18 CSCN[C@H](C)c1cccc(c1)F ae1f10e10fe113ff0b04d9ea96833b1f [0,1,0,0,0,0|3,0,0]=4 185 B13R1.18 CSCOC(C)c1cccc(c1)Br cddfe1b2fd98c500ff3c61d9a6d19d63 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.18 CSCOC(C)c1cccc(c1)C c021d4ab409afb432716cf2fe49fb5de [0,1,0,0,0,0|3,0,0]=4 187 B13R1.18 CSCOC(C)c1cccc(c1)Cl bc5b3f9003b18b389ce78258650d94b9 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.18 CSCOC(C)c1cccc(c1)F 0709fb4dec54e3a2f880617484565b5c [0,1,0,0,0,0|3,0,0]=4 189 B13R1.18 CSCOC(C)c1cccc(c1)I f6cfded9b083a45dc9b7263d5fe86c45 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.18 CSCO[C@@H](C)c1cccc(c1)Br 85d3034b35269d45ac24e084bc328f66 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.18 CSCO[C@@H](C)c1cccc(c1)C 203dc9593ab578fa75944435e7e403ea [0,1,0,0,0,0|3,0,0]=4 192 B13R1.18 CSCO[C@@H](C)c1cccc(c1)Cl e163e36b46c4b8907c9597da1baea132 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.18 CSCO[C@@H](C)c1cccc(c1)F 5eedc674a3a30380934cc7bef4d4658e [0,1,0,0,0,0|3,0,0]=4 194 B13R1.18 CSCO[C@H](C)c1cccc(c1)Br b203d9f261c3a8b8ad93cb83094291e3 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.18 CSCO[C@H](C)c1cccc(c1)C 3f959f5070bc170c271554e81e2f7777 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl c65918b65a7bae350e0847d3af641cae [0,1,0,0,0,0|3,0,0]=4 197 B13R1.18 CSCO[C@H](C)c1cccc(c1)F 4036e6df915eee1d388204563cd4ca29 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.18 N#CNC[C@H](O)c1cccc(c1)Cl 4a42b1f2df24d8b992608171a08325cf [0,1,0,0,0,0|1,0,1]=3 199 B13R1.18 O=CNCC(O)c1cccc(c1)Cl b4b500f89700e438e4417f85cf8f3ff8 [0,1,0,0,0,0|1,0,1]=3 200 B13R1.18 OC(CNCF)c1cccc(c1)Cl a46e9ea8a898fab8befb699b5ef836b7 [0,1,0,0,0,0|1,0,0]=2 201 B13R1.18 OCNCC(O)c1cccc(c1)Cl a090d28bbf48cd99bcaf5d2afa82b97f [0,1,0,0,0,0|1,0,0]=2 202 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 44df14015f4a577d93274236d41ebfc5 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.147 CC(=O)N[C@@H](C)c1cccc(c1)O fb08f41d29bdd860a1950e1b0ae939ec [0,1,0,0,0,0|3,0,0]=4 204 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)O d47c8b0d2f997d39d7488626d720fa48 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.147 CN(C)CN(C)c1cccc(c1)Br b45562cc138c77edba0fc35f4df1c1cc [0,1,0,0,0,0|3,0,0]=4 206 B13R1.147 CN(C)CN(C)c1cccc(c1)F b3e7032a177e6440fc2b1e4fdaa75957 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.147 CN(C)CN(C)c1cccc(c1)I 013f9351e0a50febfa5720a596f148e4 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.460 CCCN(C)c1cccc(c1)CO b1bfe816d601b09bcd1a33d5498040fb [0,1,0,0,0,0|3,0,0]=4 209 B13R1.460 CCCN(C)c1cccc(c1)OC cd0ad09c6adbcb8f604c6de4e33b1df2 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.460 CCCN(C)c1cccc(c1)ON 46fae887e704ed272a91e1feecd8f10f [0,1,0,0,0,0|3,0,0]=4 211 B13R1.460 CCNC(C)c1cccc(c1)OC fb15fdcd2c5d408b6fb17cfbf69448b6 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.460 CCN[C@@H](C)c1cccc(c1)OC 3c187e87445f112e2e3274fa16efe230 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.460 CCN[C@H](C)c1cccc(c1)OC 0a5fb95691a90b653b63216af42b4478 [0,1,0,0,0,0|3,0,0]=4 214 B13R1.460 CCOC(C)c1cccc(c1)OC 5f435eaa490872d69152dfe1b3d88d70 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.460 CCO[C@@H](C)c1cccc(c1)OC a77f9af8623b58e0d11453cd764978c2 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.460 CCO[C@H](C)c1cccc(c1)OC 43a21b76789c8200e8436f653d4465c5 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.460 COCN(C)c1cccc(c1)CO f63c8bd3704bcf01c2fbf0a9e37bfde7 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.460 COCN(C)c1cccc(c1)OC 5f1f3406293c28d67d3194052bf0bf0c [0,1,0,0,0,0|3,0,0]=4 219 B13R1.460 COc1cccc(c1)N(C)CSC bd87a24cb5db2c0f48a48bb9840cbf7c [0,1,0,0,0,0|3,0,0]=4 220 B13R1.460 CSCN(C)c1cccc(c1)CO c1278be157f795b92d9b8046e466f6fe [0,1,0,0,0,0|3,0,0]=4 221 B13R1.20 CCCC(C)Nc1cccc(c1)Br 303d895271a40defc1115eaf55ed15c2 [0,0,0,0,0,1|3,0,0]=4 222 B13R1.20 CCCC(C)Nc1cccc(c1)C a3742919f0acaa0a4886ebf2e0b82736 [0,0,0,0,0,1|3,0,0]=4 223 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 8f8c3dfc4262466b18ccd97564ba88b3 [0,0,0,0,0,1|3,0,0]=4 224 B13R1.20 CCCC(C)Nc1cccc(c1)F 6f36e06abdf0c5fd2cc041011089b2c8 [0,0,0,0,0,1|3,0,0]=4 225 B13R1.20 CCCC(C)Nc1cccc(c1)I 4c6ad3da2f4c1c63ba50da7213913a46 [0,0,0,0,0,1|3,0,0]=4 226 B13R1.20 CCCC(C)Oc1cccc(c1)Br 89f1e5e64003c87d04ec7ef3131b0261 [0,0,0,0,0,1|3,0,0]=4 227 B13R1.20 CCCC(C)Oc1cccc(c1)C d7efed964ed1127af67f597e5ec5e8d0 [0,0,0,0,0,1|3,0,0]=4 228 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 5e381a51844bb86c47bba6f8f02cb6a7 [0,0,0,0,0,1|3,0,0]=4 229 B13R1.20 CCCC(C)Oc1cccc(c1)F dc2f565145a23c87426a7c56416bbaa8 [0,0,0,0,0,1|3,0,0]=4 230 B13R1.20 CCCC(C)Oc1cccc(c1)I 3cbcf8bc526caa9f7fdf32144c433b6d [0,0,0,0,0,1|3,0,0]=4 231 B13R1.20 CCCC(C)Oc1cccc(c1)S 3eeee7e0e37ee9de83cc9a0dbb49dd39 [0,0,0,0,0,1|2,1,0]=4 232 B13R1.20 COCC(=O)Nc1cccc(c1)O 1756384e48250d9c2ba5a3e76b41d5d0 [0,0,0,0,0,1|1,0,2]=4 233 B13R1.20 COCC(C)Nc1cccc(c1)Br f126eba7c7d1e0087a6f415853f0e0f5 [0,0,0,0,0,1|3,0,0]=4 234 B13R1.20 COCC(C)Nc1cccc(c1)C 5b9647ba91a1abd8e2ec0eadf2d6d153 [0,0,0,0,0,1|3,0,0]=4 235 B13R1.20 COCC(C)Nc1cccc(c1)Cl 0f734e04b9b073a8cc88de68ef6962db [0,0,0,0,0,1|3,0,0]=4 236 B13R1.20 COCC(C)Nc1cccc(c1)F 6e05a103c7f90815c693c1a7c03ef5e7 [0,0,0,0,0,1|3,0,0]=4 237 B13R1.20 COCC(C)Nc1cccc(c1)I 704431837c3e0b1bdf785b4de7253ba4 [0,0,0,0,0,1|3,0,0]=4 238 B13R1.20 COCC(C)Nc1cccc(c1)S 9a8c453b17298b69bf043027f2099428 [0,0,0,0,0,1|2,1,0]=4 239 B13R1.20 COCC(C)Oc1cccc(c1)Br ab86ff24075812b9100c08ed2d4a80df [0,0,0,0,0,1|3,0,0]=4 240 B13R1.20 COCC(C)Oc1cccc(c1)C 7f22a34479159d0819f6427d515183e7 [0,0,0,0,0,1|3,0,0]=4 241 B13R1.20 COCC(C)Oc1cccc(c1)Cl 5a7afd664044cc26233317d8f69f4f15 [0,0,0,0,0,1|3,0,0]=4 242 B13R1.20 COCC(C)Oc1cccc(c1)F cc497b2dded6de146eef1e45e3506867 [0,0,0,0,0,1|3,0,0]=4 243 B13R1.20 COCC(C)Oc1cccc(c1)I 7476cfe55a9ac911ca74305d99bbf085 [0,0,0,0,0,1|3,0,0]=4 244 B13R1.20 COCC(C)Oc1cccc(c1)S 5fa032dd9868827fe0ea15e40b78d8a4 [0,0,0,0,0,1|2,1,0]=4 245 B13R1.20 COC[C@@H](C)Nc1cccc(c1)C 2d3660253419b1b8c948dd02ee71d14f [0,0,0,0,0,1|3,0,0]=4 246 B13R1.20 COC[C@@H](C)Nc1cccc(c1)F c601317a1d9bd6930be38fe6273f5f15 [0,0,0,0,0,1|3,0,0]=4 247 B13R1.20 COC[C@H](C)Nc1cccc(c1)C 1b9b14c3a86c4eb30644ff925e2afffd [0,0,0,0,0,1|3,0,0]=4 248 B13R1.20 COC[C@H](C)Nc1cccc(c1)F ea538917d07cff588b49f5e8aee5dacd [0,0,0,0,0,1|3,0,0]=4 249 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [2,0,0,0,0,0|2,0,0]=4 250 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [2,0,0,0,0,0|2,0,0]=4 253 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [2,0,0,0,0,0|2,0,0]=4 255 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [2,0,0,0,0,0|2,0,0]=4 256 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [2,0,0,0,0,0|2,0,0]=4 257 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [2,0,0,0,0,0|2,0,0]=4 258 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [2,0,0,0,0,0|1,1,0]=4 261 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [2,0,0,0,0,0|2,0,0]=4 264 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [2,0,0,0,0,0|2,0,0]=4 266 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [2,0,0,0,0,0|1,1,0]=4 267 B12R1.3 CCCN(CO)c1ccccc1 332945179d143a8b0cba1e51c0b9da9c [1,1,0,0,0,0|2,0,0]=4 268 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [1,1,0,0,0,0|2,0,0]=4 269 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [1,1,0,0,0,0|2,0,0]=4 271 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [1,1,0,0,0,0|1,0,0]=3 275 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [1,1,0,0,0,0|2,0,0]=4 276 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [1,1,0,0,0,0|2,0,0]=4 279 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [1,1,0,0,0,0|2,0,0]=4 280 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [1,1,0,0,0,0|2,0,0]=4 281 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [1,1,0,0,0,0|0,0,2]=4 283 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [1,1,0,0,0,0|1,0,0]=3 284 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [1,1,0,0,0,0|1,0,0]=3 286 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [1,1,0,0,0,0|1,0,0]=3 287 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [1,1,0,0,0,0|1,0,0]=3 288 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [1,1,0,0,0,0|0,0,0]=2 290 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [1,1,0,0,0,0|1,0,0]=3 291 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [1,1,0,0,0,0|0,0,0]=2 292 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [1,1,0,0,0,0|2,0,0]=4 297 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [1,1,0,0,0,0|2,0,0]=4 301 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [1,1,0,0,0,0|2,0,0]=4 302 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [1,1,0,0,0,0|2,0,0]=4 303 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [1,1,0,0,0,0|2,0,0]=4 307 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [1,1,0,0,0,0|1,0,0]=3 310 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [1,1,0,0,0,0|1,0,1]=4 313 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [1,1,0,0,0,0|2,0,0]=4 316 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [1,1,0,0,0,0|0,0,1]=3 317 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [1,1,0,0,0,0|0,0,2]=4 318 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [1,1,0,0,0,0|0,0,2]=4 319 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [1,1,0,0,0,0|0,0,1]=3 320 B12R1.30 O=CNCC(O)c1ccccn1 f74fbe719d6356bfc273d26f7795d584 [1,1,0,0,0,0|1,0,1]=4 321 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.30 O=CNCC(O)c1ccncc1 84598c4a8b9207c0e76a904644972bf2 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [1,1,0,0,0,0|0,0,1]=3 324 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [1,1,0,0,0,0|0,0,1]=3 325 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [1,1,0,0,0,0|0,0,0]=2 326 B12R1.30 OC(CNCF)c1ccccn1 28b23d2b21264b95b0a73626d3ab73c9 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.30 OC(CNCF)c1cccnc1 cf35ee8aac22551332adc042d29300c0 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.30 OC(CNCF)c1ccncc1 0e2adfe79ee4a1ae9e152358d2961a9a [1,1,0,0,0,0|1,0,0]=3 329 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [1,1,0,0,0,0|0,0,0]=2 330 B12R1.30 OCNCC(O)c1ccccn1 ec2dcb570a75423958acfe8c8ceb5bda [1,1,0,0,0,0|1,0,0]=3 331 B12R1.30 OCNCC(O)c1cccnc1 706b32d1f3a3c7b4480e7c94bfb1ff54 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.30 OCNCC(O)c1ccncc1 1f895db4e7084cce9c369909872cb36b [1,1,0,0,0,0|1,0,0]=3 333 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [1,1,0,0,0,0|0,0,0]=2 334 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [1,1,0,0,0,0|0,0,0]=2 336 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [1,1,0,0,0,0|0,0,0]=2 337 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [1,1,0,0,0,0|1,0,1]=4 338 B12R1.13 CCN(CO)c1cccc(c1)Br 49746d53646e2fa10cdb4761a0a666c0 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.13 CCN(CO)c1cccc(c1)F 105e4373ca7e83835dff5bbc4b7bdf24 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.354 CCN(C)c1cc(ccc1C)O 1d7df37622b6af2a32f07849000e2f2b [1,1,0,0,0,0|2,0,0]=4 341 B12R1.435 CCN(C)c1cccc(c1)CO c3864e8733cb7d9bbb82a8839a25343f [1,1,0,0,0,0|2,0,0]=4 342 B12R1.435 CCN(C)c1cccc(c1)OC 0aff2a02bfb874f95c191d1f67ddaca8 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.435 CCN(C)c1cccc(c1)ON 06a90b2e60744bf32bd0f5cea93a0c4c [1,1,0,0,0,0|2,0,0]=4 344 B12R1.28 C=CCCNc1cccc(c1)O 4b0fc2f89835c748a984f50980e6f661 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.28 CC=CCNc1cccc(c1)O 0ec4450758cda2ae602b2e783d8c49bd [1,1,0,0,0,0|1,0,1]=4 346 B12R1.28 CCCCNc1cccc(c1)Br 3ba87045eb71cb9daeb0c6df049ffff7 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.28 CCCCNc1cccc(c1)C f36b39ad3ead5e197d911ea9d057dd4e [1,1,0,0,0,0|2,0,0]=4 348 B12R1.28 CCCCNc1cccc(c1)Cl a6dae9e8390011a3064dddc965e1d2b9 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.28 CCCCNc1cccc(c1)F 0ad37da684945b6ecbc5a392ea5af5e5 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.28 CCCCNc1cccc(c1)I dc76b7022ba07d453e5841475326c95d [1,1,0,0,0,0|2,0,0]=4 351 B12R1.28 CCCCNc1cccc(c1)S 43cd57044d5c62dbdc445cebf65eff9d [1,1,0,0,0,0|1,1,0]=4 352 B12R1.28 CCCCOc1cccc(c1)Br b144f667443368aab820c1f558ee7729 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.28 CCCCOc1cccc(c1)C de4e90dba26d310b97e7df87ced1e000 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.28 CCCCOc1cccc(c1)Cl 6912ea50178fc697373b3eb109be83be [1,1,0,0,0,0|2,0,0]=4 355 B12R1.28 CCCCOc1cccc(c1)F 9bbd58eababd7836ec763165664cc247 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.28 CCCCOc1cccc(c1)I 02e05e5116a879aa64014a15641eb41a [1,1,0,0,0,0|2,0,0]=4 357 B12R1.28 CCCCOc1cccc(c1)S 092550c23bce2a6555f79ad42c314952 [1,1,0,0,0,0|1,1,0]=4 358 B12R1.28 CCCNCc1cccc(c1)Br ab115619eaf5d28cfa37403b6fa7ac8f [1,1,0,0,0,0|2,0,0]=4 359 B12R1.28 CCCNCc1cccc(c1)C 0ea9b946138db81b53023dbdaca16203 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.28 CCCNCc1cccc(c1)Cl d46956d798c81ca7a12e7d74076d63f3 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.28 CCCNCc1cccc(c1)F fec44b74b110238869e7726b42829c72 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.28 CCCNCc1cccc(c1)I ec50005f001189b77183e63c9ca35e03 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.28 CCCOCc1cccc(c1)Br 51b265396dee1ad4a9bb63037e020576 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.28 CCCOCc1cccc(c1)C d8eb8d05914bbe210bfe6d56aae3fe46 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.28 CCCOCc1cccc(c1)Cl 04967c4422580f79cdb296f010807ced [1,1,0,0,0,0|2,0,0]=4 366 B12R1.28 CCCOCc1cccc(c1)F 0d807124e5077ad8540130b67a71280a [1,1,0,0,0,0|2,0,0]=4 367 B12R1.28 CCCOCc1cccc(c1)I 8a2a3d6ad20e441201e59e161816ef78 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.28 CCNCCc1cccc(c1)Br 7407aa9054e4fecb39bb7bc51e44c0d3 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.28 CCNCCc1cccc(c1)C 0b37f05c941770177fcf98d56962ff79 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.28 CCNCCc1cccc(c1)Cl bb3e937b0c5020373ac596c6a62d7c6c [1,1,0,0,0,0|1,0,0]=3 371 B12R1.28 CCNCCc1cccc(c1)F b16016975d35bb1c00404543a6d7428f [1,1,0,0,0,0|1,0,0]=3 372 B12R1.28 CCNCCc1cccc(c1)I b6e52167904a817c188d41fbe58465fb [1,1,0,0,0,0|1,0,0]=3 373 B12R1.28 CCNCCc1cccc(n1)C 3000329d88efe2a226f3965b3f0354b4 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.28 CCNCCc1ccnc(c1)C b0eee97d48001267d4883731afd184d6 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.28 CCNCCc1cncc(c1)F 26f3bd16e308a2630e5283c42fb1b1c0 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.28 CCOCCc1cccc(c1)Br d0f3ea49e7aa78e8012da5ebab2edff3 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.28 CCOCCc1cccc(c1)C e15d01aec8191a21a4d3b1c3faee8943 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.28 CCOCCc1cccc(c1)Cl 7d0820bb278ad9103dd8a2b1a1cfa5f9 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.28 CCOCCc1cccc(c1)F e796a8f4963a7eb406c1cd938057b94f [1,1,0,0,0,0|2,0,0]=4 380 B12R1.28 CCOCCc1cccc(c1)I 23bb8fca7b33897456b96ef7e6cee085 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.28 COCCNc1cc(ccn1)O 7e7b9aa81faf890f17c56e59f494936e [1,1,0,0,0,0|2,0,0]=4 382 B12R1.28 COCCNc1cccc(c1)Br 71c77c9c3df6a6c91c314b11ceb1849d [1,1,0,0,0,0|2,0,0]=4 383 B12R1.28 COCCNc1cccc(c1)C 5ef431b95b6bf510cdcd4f0b49dfc6bc [1,1,0,0,0,0|2,0,0]=4 384 B12R1.28 COCCNc1cccc(c1)Cl 6598ecbda65ef257fda9088d5594ab03 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.28 COCCNc1cccc(c1)F 0a10994accbb1998222640a161ec1a85 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.28 COCCNc1cccc(c1)I e043208ffe523e43da91158a2f9dcbd0 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.28 COCCNc1cccc(c1)O 800174eec4e3bda203f4052df1e6de1f [1,1,0,0,0,0|1,0,0]=3 388 B12R1.28 COCCNc1cccc(c1)S 90dc9fa308d381631b78a6cfa68bc57b [1,1,0,0,0,0|1,1,0]=4 389 B12R1.28 COCCNc1ccnc(c1)O 92054a9b05f27538ac4c1d5ca3ac5023 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.28 COCCNc1cncc(c1)O 0c70dc51513e35d30202e6ba4cf1ecbd [1,1,0,0,0,0|2,0,0]=4 391 B12R1.28 COCCOc1cccc(c1)Br 47127a9e4c85bd373a527053864e820c [1,1,0,0,0,0|2,0,0]=4 392 B12R1.28 COCCOc1cccc(c1)C cd5901f2ef21173701644b3d97a50385 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.28 COCCOc1cccc(c1)Cl e5978f2ed7da6efb1acfdff8b377cd31 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.28 COCCOc1cccc(c1)F 2680a1a7a75b0f57b56e4116ce7c123b [1,1,0,0,0,0|2,0,0]=4 395 B12R1.28 COCCOc1cccc(c1)I 4ac55f904251f043d9bb19c5959fa499 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.28 COCCOc1cccc(c1)S e22098f19d4e0566337c51f23c7aa555 [1,1,0,0,0,0|1,1,0]=4 397 B12R1.28 COCNCc1cccc(c1)Br bb26088e9109faf63b2c5aab82a0bab2 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.28 COCNCc1cccc(c1)C 2a616a68489893ac9fc4786c5bd224bd [1,1,0,0,0,0|2,0,0]=4 399 B12R1.28 COCNCc1cccc(c1)Cl ca1fb393701eed7a8728da9d87eb9356 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.28 COCNCc1cccc(c1)F cb55f4e89d5e0d7efcab729f0b524b91 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.28 COCNCc1cccc(c1)I 5bb13b291c47f5546b24577b4829b678 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.28 COCOCc1cccc(c1)Br c6cf95c46ea4a77f05562ffd28f5ef20 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.28 COCOCc1cccc(c1)C 1d01d33a1b21700c4557a3eb1da01433 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.28 COCOCc1cccc(c1)Cl 725bbbfeda6dcaba43944749d2426b05 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.28 COCOCc1cccc(c1)F dcd42a5011050a007fb2422fa7534624 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.28 COCOCc1cccc(c1)I 4b864b485a6df11ced7a4a705c084d98 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.28 CSCCNc1cccc(c1)Br 2be2fa3518e1fc60eb8a91ac4eeb1411 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.28 CSCCNc1cccc(c1)C bc9699ba8d498079a42024ba3e1c7ae3 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.28 CSCCNc1cccc(c1)Cl 5f0045ca103d5e06a23a5bbfdec86f6f [1,1,0,0,0,0|2,0,0]=4 410 B12R1.28 CSCCNc1cccc(c1)F 1edcbda664525cbf7d6a7d8f869a6799 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.28 CSCCNc1cccc(c1)I 6a7d517cf2b82db23cd86cdaa1c0fb7f [1,1,0,0,0,0|2,0,0]=4 412 B12R1.28 CSCCNc1cccc(c1)S dfae6331ccc7a6ebb67631202e57efeb [1,1,0,0,0,0|1,1,0]=4 413 B12R1.28 CSCCOc1cccc(c1)Br 22a266b55a442675663ee39f1963e18c [1,1,0,0,0,0|2,0,0]=4 414 B12R1.28 CSCCOc1cccc(c1)C 2e96c03f657c1253187506863a145fa5 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.28 CSCCOc1cccc(c1)Cl 493920a961deb1373d6fe513a96a2b82 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.28 CSCCOc1cccc(c1)F 19057a849912d54d32bc3de85a26e17a [1,1,0,0,0,0|2,0,0]=4 417 B12R1.28 CSCCOc1cccc(c1)I 697230f0fb8ef2a3cf1830721d34217b [1,1,0,0,0,0|2,0,0]=4 418 B12R1.28 CSCCOc1cccc(c1)S 36b7c7c9003edf97400f1e25f53ec6c1 [1,1,0,0,0,0|1,1,0]=4 419 B12R1.28 CSCNCc1cccc(c1)Br f9d3f3c5610d32f15a4cccc9e2ad306a [1,1,0,0,0,0|2,0,0]=4 420 B12R1.28 CSCNCc1cccc(c1)C 6a6a4f6b666f5b67a7439084c9fcaccb [1,1,0,0,0,0|2,0,0]=4 421 B12R1.28 CSCNCc1cccc(c1)Cl 222e4156e96d8b1d469c8abc375a9dee [1,1,0,0,0,0|2,0,0]=4 422 B12R1.28 CSCNCc1cccc(c1)F a17bfd137359dc9e621dd8a626e9d1f1 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.28 CSCNCc1cccc(c1)I 5225bad32a989b6a0930ae62d876e258 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.28 CSCOCc1cccc(c1)Br 09acea27bc86a74f70f0ecb6b1b36467 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.28 CSCOCc1cccc(c1)C b92fb5422a027ebfba59db2e4c7028a2 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.28 CSCOCc1cccc(c1)Cl 03ec11799dc23912722d9ec83bd2bc58 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.28 CSCOCc1cccc(c1)F 90ab928cefee5e8c1de1e196d6909a20 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.28 CSCOCc1cccc(c1)I 50057e553d005950b6faf0768541a1d9 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.28 Cc1cc(ccn1)CCNCF 6c459d1ae5f5879744f5dc7d57f141b7 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.28 Cc1cc(ccn1)CCNCO 4371a528970015919c6574fde45fa974 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.28 Cc1cccc(c1)CCNC#N c1d1275a5a489531465a38f42b82c752 [1,1,0,0,0,0|1,0,1]=4 432 B12R1.28 Cc1cccc(c1)CCNC=O 8612d7f8913bad172a89faf2d9f6ab43 [1,1,0,0,0,0|1,0,1]=4 433 B12R1.28 Cc1cccc(c1)CCNCF d55c688e9678c30b2351e4cbdd7450e3 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.28 Cc1cccc(c1)CCNCO 93a28a38a3a795fa33735682cc180d19 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.28 Cc1cccc(c1)CCOCF 51adc91e98de89cba91135d6bf1dd274 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.28 Cc1cccc(n1)CCNCF 7e60ec7089ffd5716237ba7ea9cbdca5 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.28 Cc1cccc(n1)CCNCO ebc11abdc23f379c9b961aa9e165e2f5 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.28 FCNCCc1cccc(c1)Br 63f95ad9afdafac9c0c58398008d9140 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.28 FCNCCc1cccc(c1)Cl 1a5022cf19c45426af5ea2234f529088 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.28 FCNCCc1cccc(c1)F 7803834c60c721df84b912fcbd31c5e3 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.28 FCNCCc1cccc(c1)I 9ad8ab4dfb25921bc02195f41c6a88d6 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.28 FCNCCc1cncc(c1)F 1cd018708abefeebf05e07d9ab1e8775 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.28 FCOCCc1cccc(c1)Br 4ceda77946fa660e1bde11b804bc61bf [1,1,0,0,0,0|2,0,0]=4 444 B12R1.28 FCOCCc1cccc(c1)Cl c3312cd6c6d4529fd33e4cdbb4ad83ea [1,1,0,0,0,0|2,0,0]=4 445 B12R1.28 FCOCCc1cccc(c1)F 3aed3878adb707025955cb0be47782c7 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.28 FCOCCc1cccc(c1)I 555c4e52e5544fe1560ead1fd2baaa04 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.28 N#CNCCc1cccc(c1)Br f6e612d0d9943970d6ce083ec1a487a9 [1,1,0,0,0,0|1,0,1]=4 448 B12R1.28 N#CNCCc1cccc(c1)Cl baf9527724387139669f927602c8f532 [1,1,0,0,0,0|1,0,1]=4 449 B12R1.28 N#CNCCc1cccc(c1)F 7ce7afac94ec11203951698d20b5fd9e [1,1,0,0,0,0|1,0,1]=4 450 B12R1.28 NOCCNc1cccc(c1)O bec84eb16af067f8a8a72737ac43b7ce [1,1,0,0,0,0|2,0,0]=4 451 B12R1.28 O=CNCCc1cccc(c1)Br eefcf700003f9cd109d13836e54f277d [1,1,0,0,0,0|1,0,1]=4 452 B12R1.28 O=CNCCc1cccc(c1)Cl d4c88b189d7027c20056157eb1525ba4 [1,1,0,0,0,0|1,0,1]=4 453 B12R1.28 O=CNCCc1cccc(c1)F d22bcc2e6c7014d8034482be1e2e158e [1,1,0,0,0,0|1,0,1]=4 454 B12R1.28 O=CNCCc1cccc(c1)I 9c45a634df681e333c31a7eeca3a62c8 [1,1,0,0,0,0|1,0,1]=4 455 B12R1.28 O=CNCCc1cccc(c1)O 1ff03f4f09dd5b246a6e6c59eef84eaa [1,1,0,0,0,0|0,0,1]=3 456 B12R1.28 OCCCNc1cccc(c1)O b8a1a453f36dea395f53aa0824bf7c84 [1,1,0,0,0,0|2,0,0]=4 457 B12R1.28 OCNCCc1cccc(c1)Br 3aa38b14d893ea561c6d7be0b882b46e [1,1,0,0,0,0|1,0,0]=3 458 B12R1.28 OCNCCc1cccc(c1)Cl 10611e4fe6f0ad3695177e63a8cf825e [1,1,0,0,0,0|1,0,0]=3 459 B12R1.28 OCNCCc1cccc(c1)F 88d3334a709a0b42373bc0c7574dca21 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.28 OCNCCc1cccc(c1)I 5daf6c5becb322704670a9c1193bd5a3 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.28 OCNCCc1cncc(c1)F 9a3d41db8a8ffbc99cdca618b1680d94 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.28 Oc1cccc(c1)NCCCCl de7bfd3663d7e43e0e8f79d6f6f663e8 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.226 CC(=O)CNc1cccc(c1)O 58381ec1392288e974af170ef04a232f [1,1,0,0,0,0|2,0,0]=4 464 B12R1.226 CC(=O)NCc1cccc(c1)O c305a8cebe934755e5a41fc4c98fdcfd [1,1,0,0,0,0|2,0,0]=4 465 B12R1.226 CN(C)CNc1cccc(c1)Br a9db52ec4d18e43fd5f8052a16d9b2f5 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.226 CN(C)CNc1cccc(c1)Cl b91ebc3860602b7d435fbc25bba120c0 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.226 CN(C)CNc1cccc(c1)F fabc161cc8935ed63e4bf8f7340eeb1b [1,1,0,0,0,0|2,0,0]=4 468 B12R1.226 CN(C)CNc1cccc(c1)I 73b573d1bee26bd55249f0d50a8760e1 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.226 CN(C)CNc1cccc(c1)S 8b408beb2995a69d831e59e74ceea8c7 [1,1,0,0,0,0|1,1,0]=4 470 B12R1.226 CN(C)COc1cccc(c1)Br 58f441b0ca3290c7f2d4537ec22a4d7a [1,1,0,0,0,0|2,0,0]=4 471 B12R1.226 CN(C)COc1cccc(c1)Cl a81bc88b54f5005184b834642d9d3f86 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.226 CN(C)COc1cccc(c1)F 58b8398ab333a20e468588e9a1f2ba62 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.226 CN(C)COc1cccc(c1)I d82dc4d136e4cc08f2e0c8e654992b65 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.226 CN(C)COc1cccc(c1)S bcd4099b9a40b45e56f4b34dede1ec79 [1,1,0,0,0,0|1,1,0]=4 475 B12R1.226 Cc1cccc(c1)NCN(C)C f60eeb0a22d178d4adde33f0517fefb6 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.226 Cc1cccc(c1)OCN(C)C c8f371c842f7e29ba772757895b8b2d4 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.382 CCCNc1cccc(c1)CO b9bfec98c4c18aa7e2b2505fe0f0fa2f [1,1,0,0,0,0|2,0,0]=4 478 B12R1.382 CCCNc1cccc(c1)OC 796ed24fdd9f08a548b117ecbe4d9026 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.382 CCCNc1cccc(c1)ON 9864d8eccf3700966a241b152147731a [1,1,0,0,0,0|2,0,0]=4 480 B12R1.382 CCCOc1cccc(c1)OC f3db11136b3cbf782c2286c6e3ca943e [1,1,0,0,0,0|2,0,0]=4 481 B12R1.382 CCNCc1cccc(c1)CO b99393bf72a32cd83525a4c7f2eb0594 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.382 CCNCc1cccc(c1)OC d05423d998f2bee005b62c5b32cff4a4 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.382 CCOCc1cccc(c1)OC 78fd4a0b593b5164575c02afa53f8542 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.382 COCNc1cccc(c1)CO cd7cf88cab2a39cc07ac14daa3704847 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.382 COCNc1cccc(c1)OC 7d43fcca4f8c1b3fe4407ce26664dc9b [1,1,0,0,0,0|2,0,0]=4 486 B12R1.382 COCOc1cccc(c1)OC dfbbb1686556705bf6dcd9f552619401 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.382 COc1cccc(c1)NCSC da6189c23e534486efb2e03bd7ec59dd [1,1,0,0,0,0|2,0,0]=4 488 B12R1.382 COc1cccc(c1)OCSC 11f6a9cad0d226b3fdf31452b8fabb39 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.382 CSCNc1cccc(c1)CO dbf0174919471cd2252a344f9b7be5db [1,1,0,0,0,0|2,0,0]=4 490 B14R1.34 CCNCC(O)Cc1cccc(c1)C 0fff136bd14d8a12f03f501c132ff347 [0,1,0,0,0,1|1,0,0]=3 491 B14R1.34 Cc1cccc(c1)CC(O)CNC=O 53dac80932e59aefde5dc2dd26246921 [0,1,0,0,0,1|1,0,1]=4 492 B14R1.34 Cc1cccc(c1)CC(O)CNCF dee58debe3aaa03920fdfe7ced5f43cc [0,1,0,0,0,1|1,0,0]=3 493 B14R1.34 Cc1cccc(c1)CC(O)CNCO b42067da23f2d139d8fc5efecda1c5c2 [0,1,0,0,0,1|1,0,0]=3 494 B14R1.73 CCCC(CO)Nc1cccc(c1)C edcb95abb94db6707d0f6c9a9071ff51 [0,1,0,0,0,1|2,0,0]=4 495 B14R1.73 CCCC(CO)Nc1cccc(c1)F aaf5fbfcede3d9316e1755438b5d2e7b [0,1,0,0,0,1|2,0,0]=4 496 B14R1.73 CCCC(CO)Nc1cccc(c1)O 7fa86c961f3634c3d852e4eba10743a4 [0,1,0,0,0,1|1,0,0]=3 497 B14R1.73 CCC[C@@H](CO)Nc1cccc(c1)C 20015c6afbc172bb0c20a5e44a4b9ebe [0,1,0,0,0,1|2,0,0]=4 498 B14R1.73 CCC[C@@H](CO)Nc1cccc(c1)F 4a7fe93e2d776e15b245c7b19c7550b0 [0,1,0,0,0,1|2,0,0]=4 499 B14R1.73 CCC[C@@H](CO)Nc1cccc(c1)O 48b9022c68f3a8814dc6bd15de230d54 [0,1,0,0,0,1|1,0,0]=3 500 B14R1.73 CCC[C@H](CO)Nc1cccc(c1)C fdbbbee0380ae300f822c54e1b4d377c [0,1,0,0,0,1|2,0,0]=4 501 B14R1.73 CCC[C@H](CO)Nc1cccc(c1)F cea971806edcb5b9aa42129adb5387a4 [0,1,0,0,0,1|2,0,0]=4 502 B14R1.73 CCC[C@H](CO)Nc1cccc(c1)O 63f0af014abe24c19e4f16987786ec83 [0,1,0,0,0,1|1,0,0]=3 503 B14R1.73 COCC(CO)Nc1cccc(c1)C 411b9dc16e43b39fe73c0cae520d73ed [0,1,0,0,0,1|2,0,0]=4 504 B14R1.73 CSCC(CO)Nc1cccc(c1)C 27586a349038c8c7f74b91672d1f4cf3 [0,1,0,0,0,1|2,0,0]=4 505 B14R1.950 COCC(C)Nc1cc(ccc1C)O 607016ee8c621f12e1b5d60c957fc9fb [0,1,0,0,0,1|2,0,0]=4 506 B14R1.950 COC[C@@H](C)Nc1cc(ccc1C)O cc7819767a98c5fd3a37c5eec91c5306 [0,1,0,0,0,1|2,0,0]=4 507 B14R1.950 COC[C@H](C)Nc1cc(ccc1C)O 4928da61af4978e587cbce9f770e2783 [0,1,0,0,0,1|2,0,0]=4 508 B14R1.962 CCCC(C)Nc1cccc(c1)CO 101fe7b3dada975a8be918cef5099601 [0,1,0,0,0,1|2,0,0]=4 509 B14R1.962 CCCC(C)Nc1cccc(c1)OC 758a27977d2ee7e6684669e2d63ce7a7 [0,1,0,0,0,1|2,0,0]=4 510 B14R1.962 CCCC(C)Nc1cccc(c1)ON dc3c0ae3bbbda0a8d6d099299ab7d97b [0,1,0,0,0,1|2,0,0]=4 511 B14R1.962 CCCC(C)Oc1cccc(c1)OC 61b4526cec7ae17009d23ed00f82afce [0,1,0,0,0,1|2,0,0]=4 512 B14R1.962 CCC[C@H](C)Nc1cccc(c1)CO e5639672b1b109c2661384106624cc23 [0,1,0,0,0,1|2,0,0]=4 513 B14R1.962 CCC[C@H](C)Nc1cccc(c1)ON af7308793e11fc776b195616d49b9a90 [0,1,0,0,0,1|2,0,0]=4 514 B14R1.962 COCC(C)Nc1cccc(c1)CO 93f60515e1fe7d87d16b96430758375e [0,1,0,0,0,1|2,0,0]=4 515 B14R1.962 COCC(C)Nc1cccc(c1)OC 2918aa84d643d9eaf8acc6469f6a9c3d [0,1,0,0,0,1|2,0,0]=4 516 B14R1.962 COCC(C)Nc1cccc(c1)ON 7aef04a013c02842958b367c02efe5ee [0,1,0,0,0,1|2,0,0]=4 517 B14R1.962 COCC(C)Oc1cccc(c1)OC 5973223aefcfb2ea52344fd917045317 [0,1,0,0,0,1|2,0,0]=4 518 B14R1.962 COC[C@@H](C)Nc1cccc(c1)CO af266fc4275206ef24a5f9c57ed80a57 [0,1,0,0,0,1|2,0,0]=4 519 B14R1.962 COC[C@@H](C)Nc1cccc(c1)OC b87a71d954b342aebcfe1b176bbff797 [0,1,0,0,0,1|2,0,0]=4 520 B14R1.962 COC[C@@H](C)Nc1cccc(c1)ON 25cd46f672d1583727c694c09ee013a6 [0,1,0,0,0,1|2,0,0]=4 521 B14R1.962 COC[C@H](C)Nc1cccc(c1)CO 878a19885b749e5e4ad1184930205d72 [0,1,0,0,0,1|2,0,0]=4 522 B14R1.962 COC[C@H](C)Nc1cccc(c1)OC f1f415af94ef25f0e9df5af734cd7019 [0,1,0,0,0,1|2,0,0]=4 523 B14R1.962 COC[C@H](C)Nc1cccc(c1)ON 72601870ef4a926f576dddf949d8dad1 [0,1,0,0,0,1|2,0,0]=4 524 B14R1.5978 CC(CN(C)C)Nc1cccc(c1)F f69ba7d166363d5117a60e20dd8f0612 [0,1,0,0,0,1|2,0,0]=4 525 B14R1.5978 C[C@@H](CN(C)C)Nc1cccc(c1)F 7d850c839a2499b6df97ded22e125e4d [0,1,0,0,0,1|2,0,0]=4 526 B14R1.5978 C[C@H](CN(C)C)Nc1cccc(c1)F 0162d3bdd74498f75066027134fc16f2 [0,1,0,0,0,1|2,0,0]=4 527 B14R1.5978 Cc1cccc(c1)NC(C)CN(C)C 953116b1fa344b790608590ae991216d [0,1,0,0,0,1|2,0,0]=4 528 B14R1.5978 Cc1cccc(c1)N[C@@H](C)CN(C)C 2964e52fc140666a38bafb96fe177aa0 [0,1,0,0,0,1|2,0,0]=4 529 B14R1.5978 Cc1cccc(c1)N[C@H](C)CN(C)C 68f910801ccbe5425d06bfae3e251a74 [0,1,0,0,0,1|2,0,0]=4 530 B14R1.22 CCCNC(CO)c1cccc(c1)Br cd49aa936f1d9086dff6f937f35e37fe [0,2,0,0,0,0|2,0,0]=4 531 B14R1.22 CCCNC(CO)c1cccc(c1)C 0627ce45c5e8af19f5f1c2bbbdc1feeb [0,2,0,0,0,0|2,0,0]=4 532 B14R1.22 CCCNC(CO)c1cccc(c1)Cl 90b101de7addc795b0d34e37621907a3 [0,2,0,0,0,0|2,0,0]=4 533 B14R1.22 CCCNC(CO)c1cccc(c1)F 785608a5990e510ad730c85370f3e452 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Br 846c1aaea83fa330a3fb8c236815bed5 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)C 214fd2015e67c0d5ad54d9af948651c0 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Cl 3c7e2b6802a4b14eea8c646056dfe672 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)F 20cdde36e03739523087bce7aa9cbf60 [0,2,0,0,0,0|2,0,0]=4 538 B14R1.22 CCCN[C@H](CO)c1cccc(c1)Br ffa50f8d14d44b59f58dcda7e466c5fd [0,2,0,0,0,0|2,0,0]=4 539 B14R1.22 CCCN[C@H](CO)c1cccc(c1)C 16bad8cff46fabaa017c9269a340091f [0,2,0,0,0,0|2,0,0]=4 540 B14R1.22 CCCN[C@H](CO)c1cccc(c1)Cl fef6f3c81b7241b727d6681c11489043 [0,2,0,0,0,0|2,0,0]=4 541 B14R1.22 CCCN[C@H](CO)c1cccc(c1)F 70e12e4d4604293498052dee94180da0 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.22 COCNC(CO)c1cccc(c1)Br 255e9c75731b839f2d83834d630c875b [0,2,0,0,0,0|2,0,0]=4 543 B14R1.22 COCNC(CO)c1cccc(c1)C 0d12277c49c754101b8f7dce57c5ff11 [0,2,0,0,0,0|2,0,0]=4 544 B14R1.22 COCNC(CO)c1cccc(c1)Cl 4fb4644f8fefde36abf533ae07802656 [0,2,0,0,0,0|2,0,0]=4 545 B14R1.22 COCNC(CO)c1cccc(c1)F 3f6a69cec07e2ed1564b422749dceb13 [0,2,0,0,0,0|2,0,0]=4 546 B14R1.22 COCN[C@@H](CO)c1cccc(c1)Br fb867c457bfc34667ab375c1c6bbbe02 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.22 COCN[C@@H](CO)c1cccc(c1)C 7016ef15ebeff3c657eb2fc8e13339a9 [0,2,0,0,0,0|2,0,0]=4 548 B14R1.22 COCN[C@@H](CO)c1cccc(c1)Cl 1bb1d8d3a29d8ba4eb6a963ef48885dc [0,2,0,0,0,0|2,0,0]=4 549 B14R1.22 COCN[C@@H](CO)c1cccc(c1)F 132c2f6d68361e30558adeb41b376acf [0,2,0,0,0,0|2,0,0]=4 550 B14R1.22 COCN[C@H](CO)c1cccc(c1)Br 904ecf1386e501d3a42b63f8303e4d24 [0,2,0,0,0,0|2,0,0]=4 551 B14R1.22 COCN[C@H](CO)c1cccc(c1)C 1da32193ef7603a62f1266592865ac9e [0,2,0,0,0,0|2,0,0]=4 552 B14R1.22 COCN[C@H](CO)c1cccc(c1)Cl 8e911d8e660eff1b981dff9d411e156d [0,2,0,0,0,0|2,0,0]=4 553 B14R1.22 COCN[C@H](CO)c1cccc(c1)F 5781a09fbe03fabd719c2f4f6eb37c0c [0,2,0,0,0,0|2,0,0]=4 554 B14R1.22 CSCNC(CO)c1cccc(c1)Br 527b31f99ebc0b8668cf4eb12714f468 [0,2,0,0,0,0|2,0,0]=4 555 B14R1.22 CSCNC(CO)c1cccc(c1)C 758267348aa36a1fe4d496b030345314 [0,2,0,0,0,0|2,0,0]=4 556 B14R1.22 CSCNC(CO)c1cccc(c1)Cl c43a65d73bfa1724b59d2a2d30cbe867 [0,2,0,0,0,0|2,0,0]=4 557 B14R1.22 CSCNC(CO)c1cccc(c1)F 14521bae460e72faf5276e40a5f3a0b6 [0,2,0,0,0,0|2,0,0]=4 558 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)Br f7212de122d9b850ceb7bb0f715de08b [0,2,0,0,0,0|2,0,0]=4 559 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)C 111cd064692a47813642034ae98165bc [0,2,0,0,0,0|2,0,0]=4 560 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)Cl b0ed019dc6d94328234677460528a4ba [0,2,0,0,0,0|2,0,0]=4 561 B14R1.22 CSCN[C@@H](CO)c1cccc(c1)F 400df907a17fafca969e2c2fc132fdb1 [0,2,0,0,0,0|2,0,0]=4 562 B14R1.22 CSCN[C@H](CO)c1cccc(c1)Br f435212836cafa38482e7246646bd300 [0,2,0,0,0,0|2,0,0]=4 563 B14R1.22 CSCN[C@H](CO)c1cccc(c1)C 820d0b0aebfacf7b4f82dfdc2fa75c9c [0,2,0,0,0,0|2,0,0]=4 564 B14R1.22 CSCN[C@H](CO)c1cccc(c1)Cl 2978604f4ba26386327424a25dddabb6 [0,2,0,0,0,0|2,0,0]=4 565 B14R1.22 CSCN[C@H](CO)c1cccc(c1)F 0b5f74e9a8999a5ae369b7e0e105c0c8 [0,2,0,0,0,0|2,0,0]=4 566 B14R1.199 CCNC(CO)c1cccc(c1)OC 2dd0ea0bf65bdba59b0e319ecf46d131 [0,2,0,0,0,0|2,0,0]=4 567 B14R1.199 CCN[C@@H](CO)c1cccc(c1)OC 581058246bc09b3ec83a5d4c822a2468 [0,2,0,0,0,0|2,0,0]=4 568 B14R1.199 CCN[C@H](CO)c1cccc(c1)OC 31e7c07267207b8a4e4b96a6cb229b46 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.504 CCCC(NCO)c1cccc(c1)Cl 5162e9e5e1b8ee820be3d187936a322a [0,2,0,0,0,0|2,0,0]=4 570 B14R1.504 CCCC(NCO)c1cccc(c1)F 875cec5c4cefa5fcf0b535352bbc1b3e [0,2,0,0,0,0|2,0,0]=4 571 B14R1.504 CCCC(OCC)c1cccc(c1)Br 7896c31b5c1272b4d5cb217b49fd4142 [0,2,0,0,0,0|2,0,0]=4 572 B14R1.504 CCCC(OCC)c1cccc(c1)I 00a87b1a5f0be0433fd6cab67da75102 [0,2,0,0,0,0|2,0,0]=4 573 B14R1.504 CCCC(OCF)c1cccc(c1)Br ed91f303af23368f5fe5ec7cbbdfb93a [0,2,0,0,0,0|2,0,0]=4 574 B14R1.504 CCCC(OCF)c1cccc(c1)I 34f6f9921f18fb2afb629d7c67d84256 [0,2,0,0,0,0|2,0,0]=4 575 B14R1.504 COCC(NCO)c1cccc(c1)Cl d85fe05f18f8b55e8f78b678f6eb883d [0,2,0,0,0,0|2,0,0]=4 576 B14R1.11 CCN(C)C[C@H](O)c1cccc(c1)Cl f2026fe9318a58adc59d1f43363750f7 [0,2,0,0,0,0|1,0,0]=3 577 B14R1.11 CN(C=O)CC(O)c1cccc(c1)O 0a4ba653fa4fcbd069db283bab763c43 [0,2,0,0,0,0|0,0,0]=2 578 B14R1.11 CN(C=O)C[C@H](O)c1cccc(c1)O 64c59ae457af68ccf60ae895e4ad88f6 [0,2,0,0,0,0|0,0,0]=2 579 B14R1.11 CNC(=O)CN(C)c1cccc(c1)O 0ac81f741785df276d22fe4b09ae3701 [0,2,0,0,0,0|2,0,0]=4 580 B14R1.20 C#CCNCC(O)c1cccc(c1)Cl 6082c8fa62cf71eaa56f43b66953ab1d [0,2,0,0,0,0|1,0,0]=3 581 B14R1.20 C#CCNC[C@H](O)c1cccc(c1)Cl 23511bf015acab0effa296913db38ee2 [0,2,0,0,0,0|1,0,0]=3 582 B14R1.20 C=CCNCC(C)c1cccc(c1)Br 528ae7ae22ceccf8bb3bb880578fd632 [0,2,0,0,0,0|2,0,0]=4 583 B14R1.20 C=CCNCC(O)c1cccc(c1)Cl e9b6ccb62436aeb8795863fcb13c97c0 [0,2,0,0,0,0|1,0,0]=3 584 B14R1.20 CC(CNCC#N)c1cccc(c1)Br 43c5d7d7c33c6f3f0529326d48434400 [0,2,0,0,0,0|2,0,0]=4 585 B14R1.20 CC(CNCC=O)c1cccc(c1)Br c4d2325e33b7e8447a6684f73ee18264 [0,2,0,0,0,0|2,0,0]=4 586 B14R1.20 CC(CNCCF)c1cccc(c1)Br edd87e61694a3b824c679579bed53435 [0,2,0,0,0,0|2,0,0]=4 587 B14R1.20 CC(CNCCO)c1cccc(c1)Br 49800b445ff8fcc7f2b2b13970afd792 [0,2,0,0,0,0|2,0,0]=4 588 B14R1.20 CC(CNCCS)c1cccc(c1)Br 02d71b2359b8cd8e4303015801fe6d9e [0,2,0,0,0,0|2,0,0]=4 589 B14R1.20 CCCNCC(C)c1cccc(c1)Br dd3c4868fef6509e61fe6291b2f63a95 [0,2,0,0,0,0|2,0,0]=4 590 B14R1.20 CCCNCC(O)c1cccc(c1)Cl ca834fa3148cb2ccb1c9ac8ecefc8940 [0,2,0,0,0,0|1,0,0]=3 591 B14R1.20 CCCNC[C@H](O)c1cccc(c1)Cl 5e4eb29d98b8d06a093b6cc93e6725b1 [0,2,0,0,0,0|1,0,0]=3 592 B14R1.20 COCNCC(C)c1cccc(c1)Br 3eccad0333cebda8e58670d2d40db5b8 [0,2,0,0,0,0|2,0,0]=4 593 B14R1.20 COCNCC(O)c1cccc(c1)Cl e78aab0a66400b223031a51719472b84 [0,2,0,0,0,0|1,0,0]=3 594 B14R1.20 CSCNCC(O)c1cccc(c1)Cl 191d4a37087bc8741fec9d96a58c6f62 [0,2,0,0,0,0|1,0,0]=3 595 B14R1.20 N#CCNCC(O)c1cccc(c1)Cl ee577c082e3a33697e95e994f9b54e10 [0,2,0,0,0,0|1,0,0]=3 596 B14R1.20 N#CCNC[C@H](O)c1cccc(c1)Cl a95729ebee754ae8b196cda83231f8a4 [0,2,0,0,0,0|1,0,0]=3 597 B14R1.20 O=CCNCC(O)c1cccc(c1)Cl 4630d1cfd26749737f45e583b79fc474 [0,2,0,0,0,0|1,0,0]=3 598 B14R1.20 OC(CNCCF)c1cccc(c1)Cl 115095ef25230b25549cda38d8fa9edf [0,2,0,0,0,0|1,0,0]=3 599 B14R1.20 OC(CNCCS)c1cccc(c1)Cl f08c36eb7cde78575d115428dae07dea [0,2,0,0,0,0|1,0,0]=3 600 B14R1.20 OCCNCC(O)c1cccc(c1)Cl 3ab553e01cee1d1673f7d3917c1db53f [0,2,0,0,0,0|1,0,0]=3 601 B14R1.20 OCCNC[C@H](O)c1cccc(c1)Cl 4ca5bdd3272ffd6e9f4ebd82c89de99b [0,2,0,0,0,0|1,0,0]=3 602 B14R1.20 O[C@@H](CNCCBr)c1cccc(c1)Cl 5e1828310f702291fa9905bf09021a5e [0,2,0,0,0,0|1,0,0]=3 603 B14R1.20 O[C@@H](CNCCF)c1cccc(c1)Cl 56dfe2c0acbb96f2b63bb31e06e64d20 [0,2,0,0,0,0|1,0,0]=3 604 B14R1.20 O[C@@H](CNCCI)c1cccc(c1)Cl 002c47347ddb05e9d79f31d8dce2ff27 [0,2,0,0,0,0|1,0,0]=3 605 B14R1.20 O[C@@H](CNCCS)c1cccc(c1)Cl 81e67a9c5cc3855e174de070c856abbe [0,2,0,0,0,0|1,0,0]=3 606 B14R1.126 CC(C)(CNCF)c1cccc(c1)Cl 14035c768859958f25c63bff35d220b5 [0,2,0,0,0,0|2,0,0]=4 607 B14R1.126 CC(C)(CNCF)c1cccc(c1)F e7abf345c7bb76096dd81c54673bc009 [0,2,0,0,0,0|2,0,0]=4 608 B14R1.126 CC(C)(CNCO)c1cccc(c1)Br 69d54d3731900adb6677ba67783dd005 [0,2,0,0,0,0|2,0,0]=4 609 B14R1.126 CC(C)(CNCO)c1cccc(c1)Cl 43cc16b6c78b20b72fda42850d88e97e [0,2,0,0,0,0|2,0,0]=4 610 B14R1.126 CC(C)(CNCO)c1cccc(c1)F 5763f7bf83792ac5ffda47a0e1e6e095 [0,2,0,0,0,0|2,0,0]=4 611 B14R1.126 CCNCC(C)(C)c1cccc(c1)Br 5b97df7f964f6ccb6f2dc7a3948e7f7b [0,2,0,0,0,0|2,0,0]=4 612 B14R1.126 CCNCC(C)(C)c1cccc(c1)Cl dcb99d90100026a2dcb66628ead47393 [0,2,0,0,0,0|2,0,0]=4 613 B14R1.126 CCNCC(C)(C)c1cccc(c1)F 523181231219752419a7e6c22151962f [0,2,0,0,0,0|2,0,0]=4 614 B14R1.149 CC(=O)NCC(C)c1cccc(c1)Br a9e9cd8a7bc484adde12860154dfe3ab [0,2,0,0,0,0|2,0,0]=4 615 B14R1.149 CC(=O)NCC(O)c1cccc(c1)Cl 7a20869af0adb8d8441a0663a13bb78d [0,2,0,0,0,0|1,0,0]=3 616 B14R1.149 CC(NCN(C)C)c1cccc(c1)Cl f3b421b782f92fdc4af82cfe86461c25 [0,2,0,0,0,0|2,0,0]=4 617 B14R1.149 CC(NCN(C)C)c1cccc(c1)F d7ecdfc02aa5c908b946651eab4e4ff6 [0,2,0,0,0,0|2,0,0]=4 618 B14R1.149 CC(OCN(C)C)c1cccc(c1)Br 2b5e48c55c25f317791e03142f8dbbd9 [0,2,0,0,0,0|2,0,0]=4 619 B14R1.149 CC(OCN(C)C)c1cccc(c1)Cl dc152cc909a13b27989e9eaf07d1e590 [0,2,0,0,0,0|2,0,0]=4 620 B14R1.149 CC(OCN(C)C)c1cccc(c1)F 5428db0309a045fb9513a6544c910964 [0,2,0,0,0,0|2,0,0]=4 621 B14R1.149 CC(OCN(C)C)c1cccc(c1)I 243fd12e1fcd8f7faec44225ba8940ab [0,2,0,0,0,0|2,0,0]=4 622 B14R1.149 C[C@@H](NCN(C)C)c1cccc(c1)Cl 9356d1378bfb2c65ce85905ce025b307 [0,2,0,0,0,0|2,0,0]=4 623 B14R1.149 C[C@@H](NCN(C)C)c1cccc(c1)F 09d0f65da5b6d69c647844769a9cb365 [0,2,0,0,0,0|2,0,0]=4 624 B14R1.149 C[C@@H](OCN(C)C)c1cccc(c1)Br 5a3054961b45d7c4a0fb1b0e08c57378 [0,2,0,0,0,0|2,0,0]=4 625 B14R1.149 C[C@@H](OCN(C)C)c1cccc(c1)Cl 959c622f8a22eab1848741bbb93aeddc [0,2,0,0,0,0|2,0,0]=4 626 B14R1.149 C[C@@H](OCN(C)C)c1cccc(c1)F 371b849be5d4166cf3a1ebece93bdab7 [0,2,0,0,0,0|2,0,0]=4 627 B14R1.149 C[C@H](NCN(C)C)c1cccc(c1)Cl 569b55acd5276bb83351ec7a5460ba3b [0,2,0,0,0,0|2,0,0]=4 628 B14R1.149 C[C@H](NCN(C)C)c1cccc(c1)F 1ffa4ed830324651d6b53ba27c280dfb [0,2,0,0,0,0|2,0,0]=4 629 B14R1.149 C[C@H](NCN(C)C)c1cccc(c1)I 60b22d0346ec874acfa3a34434e1f98c [0,2,0,0,0,0|2,0,0]=4 630 B14R1.149 C[C@H](OCN(C)C)c1cccc(c1)Br 05c72b53c7528a502898def685d27525 [0,2,0,0,0,0|2,0,0]=4 631 B14R1.149 C[C@H](OCN(C)C)c1cccc(c1)Cl 5bbadaaabd87d8df8a85132f4ac43c2a [0,2,0,0,0,0|2,0,0]=4 632 B14R1.149 C[C@H](OCN(C)C)c1cccc(c1)F 4a66a0491bdd8c829e72331a2e44b600 [0,2,0,0,0,0|2,0,0]=4 633 B14R1.149 Cc1cccc(c1)C(C)NCN(C)C 442e5f169f6102eb6c6972153c83c783 [0,2,0,0,0,0|2,0,0]=4 634 B14R1.149 Cc1cccc(c1)C(C)OCN(C)C 811800d46ceb3259ed989653e621a233 [0,2,0,0,0,0|2,0,0]=4 635 B14R1.149 Cc1cccc(c1)[C@@H](C)NCN(C)C 3680714d4a312a3503ace6b965a2b426 [0,2,0,0,0,0|2,0,0]=4 636 B14R1.149 Cc1cccc(c1)[C@@H](C)OCN(C)C aadab21b09b01651650c868866abe8fe [0,2,0,0,0,0|2,0,0]=4 637 B14R1.149 Cc1cccc(c1)[C@H](C)NCN(C)C 4136a059cd035c25585b2601a6e5bba3 [0,2,0,0,0,0|2,0,0]=4 638 B14R1.149 Cc1cccc(c1)[C@H](C)OCN(C)C ed71faceb3db64cd3939626709168c0c [0,2,0,0,0,0|2,0,0]=4 639 B14R1.934 CCCNC(C)c1cccc(c1)OC b7adaa9a6c7c3d0e2b7d8720c3e425da [0,2,0,0,0,0|2,0,0]=4 640 B14R1.934 CCCN[C@@H](C)c1cccc(c1)OC 23ed7b313c3ab9c0eef0a4f4b2fd0dc6 [0,2,0,0,0,0|2,0,0]=4 641 B14R1.934 CCCN[C@H](C)c1cccc(c1)OC 5176754c5026ea88ab909702745c089d [0,2,0,0,0,0|2,0,0]=4 642 B14R1.934 CCCOC(C)c1cccc(c1)OC 33409328d5f27fc4ce78333abe5ca0c7 [0,2,0,0,0,0|2,0,0]=4 643 B14R1.934 CCCO[C@@H](C)c1cccc(c1)OC fa12d76663b7553b40e4ea0c1696bd61 [0,2,0,0,0,0|2,0,0]=4 644 B14R1.934 CCCO[C@H](C)c1cccc(c1)OC 06525ee39bc5eec09fdf58f936658245 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.934 CCNCC(C)c1cccc(c1)OC 1c348a518ba4f377f987076e5aa455e9 [0,2,0,0,0,0|1,0,0]=3 646 B14R1.934 CCNCC(O)c1cccc(n1)OC 68698303aae0f443d5444e428455347b [0,2,0,0,0,0|1,0,0]=3 647 B14R1.934 COCNC(C)c1cccc(c1)OC f006d6c591dbefd61a482e5f42b24d75 [0,2,0,0,0,0|2,0,0]=4 648 B14R1.934 COCN[C@@H](C)c1cccc(c1)OC c660bd63008f9a0b9eb9d75b38592fe1 [0,2,0,0,0,0|2,0,0]=4 649 B14R1.934 COCN[C@H](C)c1cccc(c1)OC 9e793d9b1c465219d7a6caf1091ab4c2 [0,2,0,0,0,0|2,0,0]=4 650 B14R1.934 COCOC(C)c1cccc(c1)OC ff8134fba66e1e810193a120e49501fb [0,2,0,0,0,0|2,0,0]=4 651 B14R1.934 COCO[C@@H](C)c1cccc(c1)OC 7cf382f3fbcd525e84d316b1e0fdc15c [0,2,0,0,0,0|2,0,0]=4 652 B14R1.934 COCO[C@H](C)c1cccc(c1)OC 8ad57ced492dc5250877bcf6976b7102 [0,2,0,0,0,0|2,0,0]=4 653 B14R1.934 COc1cccc(c1)C(C)CNC=O e165614595d606186de0c769fe2624bd [0,2,0,0,0,0|1,0,1]=4 654 B14R1.934 COc1cccc(c1)C(C)CNCF 9402bcd9e09d15a0a690cc85b9f8ebd9 [0,2,0,0,0,0|1,0,0]=3 655 B14R1.934 COc1cccc(c1)C(C)CNCO 12abe164d7950ef96d53a9e2945158cb [0,2,0,0,0,0|1,0,0]=3 656 B14R1.934 COc1cccc(c1)C(C)NCSC 8c50693305c2c356e22e972e77b1eeee [0,2,0,0,0,0|2,0,0]=4 657 B14R1.934 COc1cccc(c1)C(C)OCSC f6d7da6fe911787aad86230e6ae83862 [0,2,0,0,0,0|2,0,0]=4 658 B14R1.934 COc1cccc(c1)[C@@H](C)NCSC de61e9bed7d1190c0871998d93eb109d [0,2,0,0,0,0|2,0,0]=4 659 B14R1.934 COc1cccc(c1)[C@@H](C)OCSC df73f7050dec407d65499540c9e27065 [0,2,0,0,0,0|2,0,0]=4 660 B14R1.934 COc1cccc(c1)[C@H](C)NCSC 7ad6e200a45ca0ccda759eab63740bb8 [0,2,0,0,0,0|2,0,0]=4 661 B14R1.934 COc1cccc(c1)[C@H](C)OCSC 7b51dd5ffc74bfedfd112243ce9c1121 [0,2,0,0,0,0|2,0,0]=4 662 B14R1.934 COc1cccc(n1)C(O)CNC=O 0ea3741117a728de3154bb73f2e4b74d [0,2,0,0,0,0|1,0,1]=4 663 B14R1.934 COc1cccc(n1)C(O)CNCF 820d40b5a9ad9a5234f8c51c2001b8c7 [0,2,0,0,0,0|1,0,0]=3 664 B14R1.934 COc1cccc(n1)C(O)CNCO 8042e23066ddcf99950223a5498486f5 [0,2,0,0,0,0|1,0,0]=3 665 B14R1.941 CCNCC(O)c1ccc(c(c1)Cl)Cl ebe83251a91dde2c1fee1513efa866a7 [0,2,0,0,0,0|1,0,0]=3 666 B14R1.941 N#CNCC(O)c1ccc(c(c1)F)F cfcedc12aaf70f5138b6f39a5d0f1352 [0,2,0,0,0,0|1,0,1]=4 667 B14R1.941 N#CNC[C@@H](O)c1ccc(c(c1)F)F 0de61c091c99fe1fbc4221bb541dcc8e [0,2,0,0,0,0|1,0,1]=4 668 B14R1.941 N#CNC[C@H](O)c1ccc(c(c1)F)F 651d6bc01a5c9b46e13ce99a577df97f [0,2,0,0,0,0|1,0,1]=4 669 B14R1.941 O=CNCC(O)c1ccc(c(c1)Cl)Cl dd7f821c9c1024103ec888616448f6aa [0,2,0,0,0,0|1,0,1]=4 670 B14R1.941 OC(CNCF)c1ccc(c(c1)Cl)Cl 6863ff97472e209e8d4b0a908ea4f0ce [0,2,0,0,0,0|1,0,0]=3 671 B14R1.941 OCNCC(O)c1ccc(c(c1)Cl)Cl 5d398cb888257801114f30cb6f792252 [0,2,0,0,0,0|1,0,0]=3 672 B14R1.74 CN(C)CN(C)c1cccc(c1)CO 63bb1ad00cc2ce1104c1d24a112b8d1f [0,2,0,0,0,0|2,0,0]=4 673 B14R2.86 CO[C@H]1C[C@H]1Nc2cccc(c2)O d33d6a0df29aec974a2f41a6cbaa964d [0,0,0,1,0,1|2,0,0]=4 674 B14R2.9057 Cc1cccc(c1)NC2CN(C2)C 85aa9b62de36d81f9fac969f708edbd5 [0,0,0,1,0,1|2,0,0]=4 675 B14R2.9059 C[C@@H](Nc1cccc(c1)O)C2CC2 60e953b5fc7ab3276bc5775165843f83 [0,0,0,1,0,1|2,0,0]=4 676 B14R2.9059 C[C@H](Nc1cccc(c1)O)C2CC2 98baf5e495e27ae5845b551617d414a9 [0,0,0,1,0,1|2,0,0]=4 677 B14R2.89 CCN1CC(C1)c2cccc(c2)F 2b83c94368117899d5033ae8834a86ed [0,1,0,1,0,0|2,0,0]=4 678 B14R2.89 FCN1CC(C1)c2cccc(c2)F 236f2e8ce4a155c2c1159d55ff92c649 [0,1,0,1,0,0|2,0,0]=4 679 B14R2.89 OCN1CC(C1)c2cccc(c2)F ba2012e51f1dec623e25eccb732a7ba3 [0,1,0,1,0,0|2,0,0]=4 680 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [1,0,0,0,0,1|2,0,0]=4 681 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [1,0,0,0,0,1|2,0,0]=4 682 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [1,0,0,0,0,1|2,0,0]=4 683 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [1,0,0,0,0,1|2,0,0]=4 684 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [1,0,0,0,0,1|2,0,0]=4 685 B14R1.32 C=CCC(O)CNc1cccc(c1)O 4b17663609526a59311ff2889b9747e7 [0,0,0,0,0,2|1,0,1]=4 686 B14R1.32 CCCC(O)CNc1cccc(c1)C bf39cf3a134dca1b30a88a2cd38ca5d4 [0,0,0,0,0,2|2,0,0]=4 687 B14R1.32 COCC(O)CNc1cccc(c1)Br f60d363439f334949376959ff23e1568 [0,0,0,0,0,2|2,0,0]=4 688 B14R1.32 COCC(O)CNc1cccc(c1)C 8d0bab472683604a618c6c5278e67247 [0,0,0,0,0,2|2,0,0]=4 689 B14R1.32 COCC(O)CNc1cccc(c1)Cl 04b12bb5ee27c40ff7d15c22b282b238 [0,0,0,0,0,2|2,0,0]=4 690 B14R1.32 COCC(O)CNc1cccc(c1)F cce830ad96248b09eebb95590483cbcf [0,0,0,0,0,2|2,0,0]=4 691 B14R1.32 COCC(O)CNc1cccc(c1)I 167a4c4de97cdc9506bc1ec652f62f19 [0,0,0,0,0,2|2,0,0]=4 692 B14R1.32 COCC(O)CNc1cccc(c1)S 74d8f5a2ad64a7f42a1cb09d9b51e763 [0,0,0,0,0,2|1,1,0]=4 693 B14R1.32 COC[C@@H](O)CNc1cccc(c1)C ac9ae7611208740a6c67d2a52a7618d1 [0,0,0,0,0,2|2,0,0]=4 694 B14R1.32 COC[C@@H](O)CNc1cccc(c1)F a043678f4ca24cf8bef3bb1c2bc2bf2c [0,0,0,0,0,2|2,0,0]=4