0 B13R1.572 C#CCSc1ccccc1C(=O)N 62a_100000038162_100000162227 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.572 C#CCSc1ccccc1C(=O)O 62a_100000038162_100000734275 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.572 C=C(C)c1ccccc1COCC 271570a_100000694244_200011493690 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.572 C=C(C)c1ccccc1CSCC 271570a_100000694244_200000173030 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.572 C=C(C)c1ccccc1NCCC 34a_100000037685_100000210303 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.572 C=C(C)c1ccccc1OCCC 271570a_100000694244_100000174042 [0,0,0,0,0,0|3,1,0]=4 6 B13R1.572 C=C(C)c1ccccc1SCCO 271570a_100000694244_200000230852 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.572 C=CCSc1ccccc1C(=O)C 62a_100000751169_100000210623 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000162227_100000210623 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.572 C=CCSc1ccccc1C(=O)N 62a_100000210623_100000162227 [0,0,0,0,0,0|2,0,2]=4 10 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [0,0,0,0,0,0|1,0,2]=3 11 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [0,0,0,0,0,0|1,0,2]=3 12 B13R1.572 CC(=O)c1ccccc1OCCO 1458a_200000217288_200000210301 [0,0,0,0,0,0|3,1,0]=4 13 B13R1.572 CC(=O)c1ccccc1SCC#N 62a_100000751169_100011215382 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.572 CC(=O)c1ccccc1SCCF 62a_100000751169_100011217306 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.572 CC(=O)c1ccccc1SCCO 62a_100000751169_100000211926 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100000753718_100011217306 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.572 CC(=O)c1cccnc1SCCF 62a_100011217306_100000753718 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000211926_100000753718 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.572 CC(=O)c1cccnc1SCCO 62a_100000753718_100000211926 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.572 CC(=O)c1ccncc1SCCF 62a_100009993184_100011217306 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.572 CC(=O)c1ccncc1SCCF 62a_100011217306_100009993184 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.572 CC(=O)c1ccncc1SCCO 62a_100000211926_100009993184 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.572 CC(=O)c1ccncc1SCCO 62a_100009993184_100000211926 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.572 CC(=O)c1cnccc1SCCF 62a_100011217306_100160469449 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.572 CC(=O)c1cnccc1SCCF 62a_100160469449_100011217306 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.572 CC(=O)c1cnccc1SCCO 62a_100000211926_100160469449 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.572 CC(=O)c1cnccc1SCCO 62a_100160469449_100000211926 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100011217306_100012348690 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.572 CC(=O)c1ncccc1SCCF 62a_100012348690_100011217306 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100000211926_100012348690 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.572 CC(=O)c1ncccc1SCCO 62a_100012348690_100000211926 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.572 CC(O)c1ccccc1SCCF 62a_100000702211_100011217306 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.572 CC(O)c1ccccc1SCCF 62a_100011217306_100000702211 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000211926_100000702211 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.572 CC(O)c1ccccc1SCCO 62a_100000702211_100000211926 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.572 CCCCc1ccccc1B(O)O 271570a_100020621405_100000693059 [0,0,0,0,0,0|3,0,1]=4 38 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [0,0,0,0,0,0|3,0,0]=3 40 B13R1.572 CCCCc1ccccc1C(C)O 271570a_100020621405_100000702211 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.572 CCCCc1ccccc1S(=O)C 271570a_100020621405_100000734199 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.572 CCCCc1cccnc1C(=O)C 271570a_100020621405_100012348690 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.572 CCCCc1cccnc1C(=O)N 271570a_100020621405_200012359670 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.572 CCCCc1ccncc1C(=O)C 271570a_100020621405_100160469449 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.572 CCCCc1ccncc1C(=O)N 271570a_100020621405_100000697804 [0,0,0,0,0,0|4,0,0]=4 46 B13R1.572 CCCCc1cnccc1C(=O)C 271570a_100020621405_100009993184 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.572 CCCCc1cnccc1C(=O)N 271570a_100020621405_100010205435 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.572 CCCCc1ncccc1C(=O)C 271570a_100020621405_100000753718 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.572 CCCCc1ncccc1C(=O)N 271570a_100020621405_100000162199 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.572 CCCNc1ccccc1C(C)O 2230a_100011405641_100000210303 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [0,0,0,0,0,0|2,1,0]=3 53 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [0,0,0,0,0,0|2,1,0]=3 54 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [0,0,0,0,0,0|2,1,0]=3 55 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [0,0,0,0,0,0|2,1,0]=3 56 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [0,0,0,0,0,0|1,1,1]=3 57 B13R1.572 CCCOc1ccccc1C(=S)N 7a_100000745089_100000210303 [0,0,0,0,0,0|2,2,0]=4 58 B13R1.572 CCCOc1ccccc1C(C)O 34a_200011232679_100000210303 [0,0,0,0,0,0|2,1,1]=4 59 B13R1.572 CCCOc1ccccc1C(C)O 7a_200011232679_100000210303 [0,0,0,0,0,0|2,1,1]=4 60 B13R1.572 CCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210303 [0,0,0,0,0,0|2,1,1]=4 61 B13R1.572 CCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210303 [0,0,0,0,0,0|2,1,1]=4 62 B13R1.572 CCCOc1cccnc1C(=O)C 34a_100000087166_100000210303 [0,0,0,0,0,0|3,1,0]=4 63 B13R1.572 CCCOc1cccnc1C(=O)C 7a_100000087166_100000210303 [0,0,0,0,0,0|3,1,0]=4 64 B13R1.572 CCCOc1cccnc1C(=O)N 34a_200011215183_100000210303 [0,0,0,0,0,0|3,1,0]=4 65 B13R1.572 CCCOc1cccnc1C(=O)N 7a_200011215183_100000210303 [0,0,0,0,0,0|3,1,0]=4 66 B13R1.572 CCCOc1ccncc1C(=O)N 34a_200011998761_100000210303 [0,0,0,0,0,0|3,1,0]=4 67 B13R1.572 CCCOc1cnccc1C(=O)C 7a_100009872882_100000210303 [0,0,0,0,0,0|3,1,0]=4 68 B13R1.572 CCCOc1cnccc1C(=O)N 7a_100012022987_100000210303 [0,0,0,0,0,0|3,1,0]=4 69 B13R1.572 CCCSc1ccccc1B(O)O 62a_100000210303_100000693059 [0,0,0,0,0,0|2,0,1]=3 70 B13R1.572 CCCSc1ccccc1B(O)O 62a_100000693059_100000210303 [0,0,0,0,0,0|2,0,1]=3 71 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [0,0,0,0,0,0|2,0,0]=2 72 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [0,0,0,0,0,0|2,0,0]=2 73 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [0,0,0,0,0,0|2,0,0]=2 74 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [0,0,0,0,0,0|2,0,0]=2 75 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [0,0,0,0,0,0|1,0,0]=1 76 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [0,0,0,0,0,0|1,0,0]=1 77 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [0,0,0,0,0,0|2,0,0]=2 78 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000210303_100000708600 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000708600_100000210303 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000181357_100000210303 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.572 CCCSc1ccccc1C(C)N 62a_100000210303_100000181357 [0,0,0,0,0,0|3,0,1]=4 82 B13R1.572 CCCSc1ccccc1C(C)O 62a_100000210303_100000702211 [0,0,0,0,0,0|2,0,1]=3 83 B13R1.572 CCCSc1ccccc1C(C)O 62a_100000702211_100000210303 [0,0,0,0,0,0|2,0,1]=3 84 B13R1.572 CCCSc1ccccc1C(F)F 62a_100000210303_100010169824 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.572 CCCSc1ccccc1C(F)F 62a_100010169824_100000210303 [0,0,0,0,0,0|3,0,1]=4 86 B13R1.572 CCCSc1ccccc1N(C)C 62a_100000210303_100011290883 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.572 CCCSc1ccccc1N(C)C 62a_100011290883_100000210303 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.572 CCCSc1ccccc1S(=O)C 62a_100000734199_100000210303 [0,0,0,0,0,0|3,0,0]=3 89 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100000210303_100012348690 [0,0,0,0,0,0|3,0,0]=3 90 B13R1.572 CCCSc1cccnc1C(=O)C 62a_100012348690_100000210303 [0,0,0,0,0,0|3,0,0]=3 91 B13R1.572 CCCSc1cccnc1C(=O)N 62a_100000210303_200012359670 [0,0,0,0,0,0|3,0,0]=3 92 B13R1.572 CCCSc1cccnc1C(=O)N 62a_200012359670_100000210303 [0,0,0,0,0,0|3,0,0]=3 93 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100000210303_100013325542 [0,0,0,0,0,0|3,0,1]=4 94 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100013325542_100000210303 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.572 CCCSc1ccncc1C(=O)C 62a_100000210303_100160469449 [0,0,0,0,0,0|3,0,0]=3 96 B13R1.572 CCCSc1ccncc1C(=O)C 62a_100160469449_100000210303 [0,0,0,0,0,0|3,0,0]=3 97 B13R1.572 CCCSc1ccncc1C(=O)N 62a_100000210303_100000697804 [0,0,0,0,0,0|3,0,0]=3 98 B13R1.572 CCCSc1ccncc1C(=O)N 62a_100000697804_100000210303 [0,0,0,0,0,0|3,0,0]=3 99 B13R1.572 CCCSc1cnccc1B(O)O 62a_100000210303_200010176179 [0,0,0,0,0,0|3,0,1]=4 100 B13R1.572 CCCSc1cnccc1B(O)O 62a_200010176179_100000210303 [0,0,0,0,0,0|3,0,1]=4 101 B13R1.572 CCCSc1cnccc1C(=O)C 62a_100000210303_100009993184 [0,0,0,0,0,0|3,0,0]=3 102 B13R1.572 CCCSc1cnccc1C(=O)C 62a_100009993184_100000210303 [0,0,0,0,0,0|3,0,0]=3 103 B13R1.572 CCCSc1cnccc1C(=O)N 62a_100000210303_100010205435 [0,0,0,0,0,0|3,0,0]=3 104 B13R1.572 CCCSc1cnccc1C(=O)N 62a_100010205435_100000210303 [0,0,0,0,0,0|3,0,0]=3 105 B13R1.572 CCCSc1ncccc1B(O)O 62a_100000047247_100000210303 [0,0,0,0,0,0|3,0,1]=4 106 B13R1.572 CCCSc1ncccc1B(O)O 62a_100000210303_100000047247 [0,0,0,0,0,0|3,0,1]=4 107 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000210303_100000753718 [0,0,0,0,0,0|3,0,0]=3 108 B13R1.572 CCCSc1ncccc1C(=O)C 62a_100000753718_100000210303 [0,0,0,0,0,0|3,0,0]=3 109 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000162199_100000210303 [0,0,0,0,0,0|3,0,0]=3 110 B13R1.572 CCCSc1ncccc1C(=O)N 62a_100000210303_100000162199 [0,0,0,0,0,0|3,0,0]=3 111 B13R1.572 CCCSc1ncccc1C(C)O 62a_100000210303_100009865335 [0,0,0,0,0,0|3,0,1]=4 112 B13R1.572 CCCSc1ncccc1C(C)O 62a_100009865335_100000210303 [0,0,0,0,0,0|3,0,1]=4 113 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000099859_100000210303 [0,0,0,0,0,0|4,0,0]=4 114 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000210303_100000099859 [0,0,0,0,0,0|4,0,0]=4 115 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000094861_100000210303 [0,0,0,0,0,0|4,0,0]=4 116 B13R1.572 CCCSc1nccnc1C(=O)N 62a_100000210303_100000094861 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.572 CCNCc1ccccc1B(O)O 2230a_100015525214_100009814197 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [0,0,0,0,0,0|2,0,0]=2 119 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 2230a_100015525214_100000181388 [0,0,0,0,0,0|3,0,1]=4 120 B13R1.572 CCNCc1ccccc1[N+](=O)[O-] 270004a_100015525214_100000186027 [0,0,0,0,0,0|3,0,1]=4 121 B13R1.572 CCOCc1ccccc1B(O)O 34a_100121572206_100009814197 [0,0,0,0,0,0|3,0,1]=4 122 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 34a_100121572206_100000181388 [0,0,0,0,0,0|3,0,1]=4 123 B13R1.572 CCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210202 [0,0,0,0,0,0|3,0,1]=4 124 B13R1.572 CCSCc1ccccc1B(O)O 62a_100000210202_100009814197 [0,0,0,0,0,0|3,0,1]=4 125 B13R1.572 CCSCc1ccccc1B(O)O 62a_100009814197_100000210202 [0,0,0,0,0,0|3,0,1]=4 126 B13R1.572 CCSCc1ccccc1[N+](=O)[O-] 62a_100000210202_100000181388 [0,0,0,0,0,0|3,0,1]=4 127 B13R1.572 CC[Hg]Sc1ccccc1C(=O)C 1458a_100000046266_200000210301 [0,0,0,0,0,0|1,0,0]=1 128 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[13CH3] 1458a_100000046266_200025704644 [0,0,0,0,0,0|1,0,0]=1 129 B13R1.572 COCSc1ccccc1B(O)O 62a_100000693059_100000766300 [0,0,0,0,0,0|3,0,1]=4 130 B13R1.572 COCSc1ccccc1B(O)O 62a_100000766300_100000693059 [0,0,0,0,0,0|3,0,1]=4 131 B13R1.572 COCSc1ccccc1C(=O)C 62a_100000751169_100000766300 [0,0,0,0,0,0|3,0,0]=3 132 B13R1.572 COCSc1ccccc1C(=O)N 62a_100000162227_100000766300 [0,0,0,0,0,0|3,0,0]=3 133 B13R1.572 COCSc1ccccc1C(=O)N 62a_100000766300_100000162227 [0,0,0,0,0,0|3,0,0]=3 134 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [0,0,0,0,0,0|2,0,0]=2 135 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [0,0,0,0,0,0|2,0,0]=2 136 B13R1.572 COCSc1ccccc1C(C)O 62a_100000702211_100000766300 [0,0,0,0,0,0|3,0,1]=4 137 B13R1.572 COCSc1ccccc1C(C)O 62a_100000766300_100000702211 [0,0,0,0,0,0|3,0,1]=4 138 B13R1.572 COCSc1ccccc1S(=O)C 62a_100000734199_100000766300 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.572 COCSc1cccnc1C(=O)C 62a_100000766300_100012348690 [0,0,0,0,0,0|4,0,0]=4 140 B13R1.572 COCSc1cccnc1C(=O)C 62a_100012348690_100000766300 [0,0,0,0,0,0|4,0,0]=4 141 B13R1.572 COCSc1cccnc1C(=O)N 62a_100000766300_200012359670 [0,0,0,0,0,0|4,0,0]=4 142 B13R1.572 COCSc1cccnc1C(=O)N 62a_200012359670_100000766300 [0,0,0,0,0,0|4,0,0]=4 143 B13R1.572 COCSc1ccncc1C(=O)C 62a_100000766300_100160469449 [0,0,0,0,0,0|4,0,0]=4 144 B13R1.572 COCSc1ccncc1C(=O)C 62a_100160469449_100000766300 [0,0,0,0,0,0|4,0,0]=4 145 B13R1.572 COCSc1ccncc1C(=O)N 62a_100000697804_100000766300 [0,0,0,0,0,0|4,0,0]=4 146 B13R1.572 COCSc1ccncc1C(=O)N 62a_100000766300_100000697804 [0,0,0,0,0,0|4,0,0]=4 147 B13R1.572 COCSc1cnccc1C(=O)C 62a_100000766300_100009993184 [0,0,0,0,0,0|4,0,0]=4 148 B13R1.572 COCSc1cnccc1C(=O)C 62a_100009993184_100000766300 [0,0,0,0,0,0|4,0,0]=4 149 B13R1.572 COCSc1cnccc1C(=O)N 62a_100000766300_100010205435 [0,0,0,0,0,0|4,0,0]=4 150 B13R1.572 COCSc1cnccc1C(=O)N 62a_100010205435_100000766300 [0,0,0,0,0,0|4,0,0]=4 151 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000753718_100000766300 [0,0,0,0,0,0|4,0,0]=4 152 B13R1.572 COCSc1ncccc1C(=O)C 62a_100000766300_100000753718 [0,0,0,0,0,0|4,0,0]=4 153 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000162199_100000766300 [0,0,0,0,0,0|4,0,0]=4 154 B13R1.572 COCSc1ncccc1C(=O)N 62a_100000766300_100000162199 [0,0,0,0,0,0|4,0,0]=4 155 B13R1.572 CS(=O)c1ccccc1SCCF 62a_100000734199_100011217306 [0,0,0,0,0,0|4,0,0]=4 156 B13R1.572 CS(=O)c1ccccc1SCCO 62a_100000734199_100000211926 [0,0,0,0,0,0|4,0,0]=4 157 B13R1.572 CSCNc1ccccc1C(=O)N 34a_100000185089_100011218213 [0,0,0,0,0,0|4,0,0]=4 158 B13R1.572 CSCOc1ccccc1C(=O)N 34a_100000192804_100011218213 [0,0,0,0,0,0|3,1,0]=4 159 B13R1.572 CSCSc1ccccc1B(O)O 62a_100000693059_100011218213 [0,0,0,0,0,0|3,0,1]=4 160 B13R1.572 CSCSc1ccccc1B(O)O 62a_100011218213_100000693059 [0,0,0,0,0,0|3,0,1]=4 161 B13R1.572 CSCSc1ccccc1C(=O)C 62a_100000751169_100011218213 [0,0,0,0,0,0|3,0,0]=3 162 B13R1.572 CSCSc1ccccc1C(=O)N 62a_100000162227_100011218213 [0,0,0,0,0,0|3,0,0]=3 163 B13R1.572 CSCSc1ccccc1C(=O)N 62a_100011218213_100000162227 [0,0,0,0,0,0|3,0,0]=3 164 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [0,0,0,0,0,0|2,0,0]=2 165 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [0,0,0,0,0,0|2,0,0]=2 166 B13R1.572 CSCSc1ccccc1C(C)O 62a_100000702211_100011218213 [0,0,0,0,0,0|3,0,1]=4 167 B13R1.572 CSCSc1ccccc1C(C)O 62a_100011218213_100000702211 [0,0,0,0,0,0|3,0,1]=4 168 B13R1.572 CSCSc1ccccc1S(=O)C 62a_100000734199_100011218213 [0,0,0,0,0,0|4,0,0]=4 169 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100011218213_100012348690 [0,0,0,0,0,0|4,0,0]=4 170 B13R1.572 CSCSc1cccnc1C(=O)C 62a_100012348690_100011218213 [0,0,0,0,0,0|4,0,0]=4 171 B13R1.572 CSCSc1cccnc1C(=O)N 62a_100011218213_200012359670 [0,0,0,0,0,0|4,0,0]=4 172 B13R1.572 CSCSc1cccnc1C(=O)N 62a_200012359670_100011218213 [0,0,0,0,0,0|4,0,0]=4 173 B13R1.572 CSCSc1ccncc1C(=O)C 62a_100011218213_100160469449 [0,0,0,0,0,0|4,0,0]=4 174 B13R1.572 CSCSc1ccncc1C(=O)C 62a_100160469449_100011218213 [0,0,0,0,0,0|4,0,0]=4 175 B13R1.572 CSCSc1ccncc1C(=O)N 62a_100000697804_100011218213 [0,0,0,0,0,0|4,0,0]=4 176 B13R1.572 CSCSc1ccncc1C(=O)N 62a_100011218213_100000697804 [0,0,0,0,0,0|4,0,0]=4 177 B13R1.572 CSCSc1cnccc1C(=O)C 62a_100009993184_100011218213 [0,0,0,0,0,0|4,0,0]=4 178 B13R1.572 CSCSc1cnccc1C(=O)C 62a_100011218213_100009993184 [0,0,0,0,0,0|4,0,0]=4 179 B13R1.572 CSCSc1cnccc1C(=O)N 62a_100010205435_100011218213 [0,0,0,0,0,0|4,0,0]=4 180 B13R1.572 CSCSc1cnccc1C(=O)N 62a_100011218213_100010205435 [0,0,0,0,0,0|4,0,0]=4 181 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100000753718_100011218213 [0,0,0,0,0,0|4,0,0]=4 182 B13R1.572 CSCSc1ncccc1C(=O)C 62a_100011218213_100000753718 [0,0,0,0,0,0|4,0,0]=4 183 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100000162199_100011218213 [0,0,0,0,0,0|4,0,0]=4 184 B13R1.572 CSCSc1ncccc1C(=O)N 62a_100011218213_100000162199 [0,0,0,0,0,0|4,0,0]=4 185 B13R1.572 N#CCSc1ccccc1C(=O)N 62a_100000162227_100011215382 [0,0,0,0,0,0|3,0,1]=4 186 B13R1.572 N#CCSc1ccccc1C(=O)N 62a_100011215382_100000162227 [0,0,0,0,0,0|3,0,1]=4 187 B13R1.572 N#CCSc1ccccc1C(=O)O 62a_100011215382_100000734275 [0,0,0,0,0,0|2,0,1]=3 188 B13R1.572 N#CCSc1ccccc1C(=O)O 62a_202125556159_100011215382 [0,0,0,0,0,0|2,0,1]=3 189 B13R1.572 NC(=O)c1ccccc1NCCF 34a_100000185089_100011217306 [0,0,0,0,0,0|4,0,0]=4 190 B13R1.572 NC(=O)c1ccccc1NCCO 34a_100000185089_100000211926 [0,0,0,0,0,0|4,0,0]=4 191 B13R1.572 NC(=O)c1ccccc1OCCF 34a_100000192804_100011217306 [0,0,0,0,0,0|3,1,0]=4 192 B13R1.572 NC(=O)c1ccccc1OCCF 7a_100000192804_100011217306 [0,0,0,0,0,0|3,1,0]=4 193 B13R1.572 NC(=O)c1ccccc1OCCO 34a_100000192804_100000211926 [0,0,0,0,0,0|3,1,0]=4 194 B13R1.572 NC(=O)c1ccccc1OCCO 7a_100000192804_100000211926 [0,0,0,0,0,0|3,1,0]=4 195 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_100000162227_200015260668 [0,0,0,0,0,0|3,0,1]=4 196 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_200015260668_100000162227 [0,0,0,0,0,0|3,0,1]=4 197 B13R1.572 NC(=O)c1ccccc1SCCF 62a_100000162227_100011217306 [0,0,0,0,0,0|3,0,0]=3 198 B13R1.572 NC(=O)c1ccccc1SCCF 62a_100011217306_100000162227 [0,0,0,0,0,0|3,0,0]=3 199 B13R1.572 NC(=O)c1ccccc1SCCO 62a_100000162227_100000211926 [0,0,0,0,0,0|3,0,0]=3 200 B13R1.572 NC(=O)c1ccccc1SCCO 62a_100000211926_100000162227 [0,0,0,0,0,0|3,0,0]=3 201 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100000162199_100011217306 [0,0,0,0,0,0|4,0,0]=4 202 B13R1.572 NC(=O)c1cccnc1SCCF 62a_100011217306_100000162199 [0,0,0,0,0,0|4,0,0]=4 203 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000162199_100000211926 [0,0,0,0,0,0|4,0,0]=4 204 B13R1.572 NC(=O)c1cccnc1SCCO 62a_100000211926_100000162199 [0,0,0,0,0,0|4,0,0]=4 205 B13R1.572 NC(=O)c1ccncc1SCCF 62a_100010205435_100011217306 [0,0,0,0,0,0|4,0,0]=4 206 B13R1.572 NC(=O)c1ccncc1SCCF 62a_100011217306_100010205435 [0,0,0,0,0,0|4,0,0]=4 207 B13R1.572 NC(=O)c1ccncc1SCCO 62a_100000211926_100010205435 [0,0,0,0,0,0|4,0,0]=4 208 B13R1.572 NC(=O)c1ccncc1SCCO 62a_100010205435_100000211926 [0,0,0,0,0,0|4,0,0]=4 209 B13R1.572 NC(=O)c1cnccc1SCCF 62a_100000697804_100011217306 [0,0,0,0,0,0|4,0,0]=4 210 B13R1.572 NC(=O)c1cnccc1SCCF 62a_100011217306_100000697804 [0,0,0,0,0,0|4,0,0]=4 211 B13R1.572 NC(=O)c1cnccc1SCCO 62a_100000211926_100000697804 [0,0,0,0,0,0|4,0,0]=4 212 B13R1.572 NC(=O)c1cnccc1SCCO 62a_100000697804_100000211926 [0,0,0,0,0,0|4,0,0]=4 213 B13R1.572 NC(=O)c1ncccc1SCCF 62a_100011217306_200012359670 [0,0,0,0,0,0|4,0,0]=4 214 B13R1.572 NC(=O)c1ncccc1SCCF 62a_200012359670_100011217306 [0,0,0,0,0,0|4,0,0]=4 215 B13R1.572 NC(=O)c1ncccc1SCCO 62a_100000211926_200012359670 [0,0,0,0,0,0|4,0,0]=4 216 B13R1.572 NC(=O)c1ncccc1SCCO 62a_200012359670_100000211926 [0,0,0,0,0,0|4,0,0]=4 217 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [0,0,0,0,0,0|3,0,0]=3 218 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [0,0,0,0,0,0|2,0,0]=2 219 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [0,0,0,0,0,0|2,0,0]=2 220 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [0,0,0,0,0,0|2,0,0]=2 221 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [0,0,0,0,0,0|2,0,0]=2 222 B13R1.572 O=C([O-])c1ccccc1OCCF 7a_100015234032_100011217306 [0,0,0,0,0,0|2,1,1]=4 223 B13R1.572 O=C([O-])c1ccccc1OCCO 7a_100015234032_100000211926 [0,0,0,0,0,0|2,1,1]=4 224 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_200015260668_100000734275 [0,0,0,0,0,0|2,0,1]=3 225 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_202125556159_200015260668 [0,0,0,0,0,0|2,0,1]=3 226 B13R1.572 OB(O)c1ccccc1SCCF 62a_100000693059_100011217306 [0,0,0,0,0,0|3,0,1]=4 227 B13R1.572 OB(O)c1ccccc1SCCF 62a_100011217306_100000693059 [0,0,0,0,0,0|3,0,1]=4 228 B13R1.572 OCCSc1ccccc1B(O)O 62a_100000211926_100000693059 [0,0,0,0,0,0|3,0,1]=4 229 B13R1.572 OCCSc1ccccc1B(O)O 62a_100000693059_100000211926 [0,0,0,0,0,0|3,0,1]=4 230 B13R1.572 [13CH3]C(=O)c1ccccc1OCCO 1458a_200000217288_200025704644 [0,0,0,0,0,0|3,1,0]=4 231 B12R1.121 C#CCSc1ccccc1C=O 62a_100000038162_100000210073 [1,0,0,0,0,0|1,0,2]=4 232 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210073_100000210623 [1,0,0,0,0,0|1,0,2]=4 233 B12R1.121 C=CCSc1ccccc1C=O 62a_100000210623_100000210073 [1,0,0,0,0,0|1,0,2]=4 234 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [1,0,0,0,0,0|3,0,0]=4 235 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [1,0,0,0,0,0|3,0,0]=4 236 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [1,0,0,0,0,0|3,0,0]=4 237 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [1,0,0,0,0,0|3,0,0]=4 238 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [1,0,0,0,0,0|3,0,0]=4 239 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [1,0,0,0,0,0|2,1,0]=4 240 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [1,0,0,0,0,0|2,0,0]=3 241 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [1,0,0,0,0,0|2,0,0]=3 242 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [1,0,0,0,0,0|3,0,0]=4 246 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218213_100011218376 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.121 C=Cc1ccccc1SCSC 62a_100011218376_100011218213 [1,0,0,0,0,0|3,0,0]=4 251 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [1,0,0,0,0,0|2,0,0]=3 252 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [1,0,0,0,0,0|2,0,1]=4 253 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [1,0,0,0,0,0|3,0,0]=4 255 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [1,0,0,0,0,0|3,0,0]=4 256 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [1,0,0,0,0,0|3,0,0]=4 257 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [1,0,0,0,0,0|1,1,1]=4 259 B12R1.121 CCCSc1ccccc1C#N 62a_100000210303_100000188569 [1,0,0,0,0,0|2,0,1]=4 260 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [1,0,0,0,0,0|1,0,0]=2 261 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [1,0,0,0,0,0|1,0,0]=2 262 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [1,0,0,0,0,0|2,0,1]=4 263 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [1,0,0,0,0,0|2,0,1]=4 264 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [1,0,0,0,0,0|2,0,1]=4 265 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [1,0,0,0,0,0|2,0,1]=4 266 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [1,0,0,0,0,0|1,0,1]=3 267 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [1,0,0,0,0,0|1,0,1]=3 268 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [1,0,0,0,0,0|3,0,0]=4 271 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [1,0,0,0,0,0|3,0,0]=4 273 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [1,0,0,0,0,0|3,0,0]=4 274 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [1,0,0,0,0,0|3,0,0]=4 276 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [1,0,0,0,0,0|3,0,0]=4 277 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [1,0,0,0,0,0|3,0,0]=4 278 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [1,0,0,0,0,0|3,0,0]=4 279 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [1,0,0,0,0,0|3,0,0]=4 280 B12R1.121 CCCSc1cccnc1C=O 62a_100000210303_100011934733 [1,0,0,0,0,0|2,0,0]=3 281 B12R1.121 CCCSc1cccnc1C=O 62a_100011934733_100000210303 [1,0,0,0,0,0|2,0,0]=3 282 B12R1.121 CCCSc1cccnc1CO 62a_100000210303_100011996772 [1,0,0,0,0,0|2,0,1]=4 283 B12R1.121 CCCSc1cccnc1CO 62a_100011996772_100000210303 [1,0,0,0,0,0|2,0,1]=4 284 B12R1.121 CCCSc1ccncc1C=O 62a_100000050567_100000210303 [1,0,0,0,0,0|2,0,0]=3 285 B12R1.121 CCCSc1ccncc1C=O 62a_100000210303_100000050567 [1,0,0,0,0,0|2,0,0]=3 286 B12R1.121 CCCSc1ccncc1CO 62a_100000117392_100000210303 [1,0,0,0,0,0|2,0,1]=4 287 B12R1.121 CCCSc1ccncc1CO 62a_100000210303_100000117392 [1,0,0,0,0,0|2,0,1]=4 288 B12R1.121 CCCSc1cnccc1C=O 62a_100000210303_100011934409 [1,0,0,0,0,0|2,0,0]=3 289 B12R1.121 CCCSc1cnccc1C=O 62a_100011934409_100000210303 [1,0,0,0,0,0|2,0,0]=3 290 B12R1.121 CCCSc1cnccc1CO 62a_100000210303_100009873359 [1,0,0,0,0,0|2,0,1]=4 291 B12R1.121 CCCSc1cnccc1CO 62a_100009873359_100000210303 [1,0,0,0,0,0|2,0,1]=4 292 B12R1.121 CCCSc1ncccc1C=O 62a_100000210303_100009816751 [1,0,0,0,0,0|2,0,0]=3 293 B12R1.121 CCCSc1ncccc1C=O 62a_100009816751_100000210303 [1,0,0,0,0,0|2,0,0]=3 294 B12R1.121 CCCSc1ncccc1CO 62a_100000210303_100000748726 [1,0,0,0,0,0|2,0,1]=4 295 B12R1.121 CCCSc1ncccc1CO 62a_100000748726_100000210303 [1,0,0,0,0,0|2,0,1]=4 296 B12R1.121 CCCSc1nccnc1C=O 62a_100000051000_100000210303 [1,0,0,0,0,0|3,0,0]=4 297 B12R1.121 CCCSc1nccnc1C=O 62a_100000210303_100000051000 [1,0,0,0,0,0|3,0,0]=4 298 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [1,0,0,0,0,0|2,0,0]=3 299 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [1,0,0,0,0,0|2,0,1]=4 300 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [1,0,0,0,0,0|2,0,0]=3 301 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [1,0,0,0,0,0|2,0,0]=3 303 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [1,0,0,0,0,0|2,0,0]=3 304 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [1,0,0,0,0,0|2,0,1]=4 305 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [1,0,0,0,0,0|2,0,1]=4 306 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [1,0,0,0,0,0|3,0,0]=4 307 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [1,0,0,0,0,0|3,0,0]=4 308 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [1,0,0,0,0,0|3,0,0]=4 309 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [1,0,0,0,0,0|3,0,0]=4 310 B12R1.121 COCSc1ccccc1C=O 62a_100000210073_100000766300 [1,0,0,0,0,0|2,0,0]=3 311 B12R1.121 COCSc1ccccc1C=O 62a_100000766300_100000210073 [1,0,0,0,0,0|2,0,0]=3 312 B12R1.121 COCSc1ccccc1CO 62a_100000187465_100000766300 [1,0,0,0,0,0|2,0,1]=4 313 B12R1.121 COCSc1ccccc1CO 62a_100000766300_100000187465 [1,0,0,0,0,0|2,0,1]=4 314 B12R1.121 COCSc1cccnc1C=O 62a_100000766300_100011934733 [1,0,0,0,0,0|3,0,0]=4 315 B12R1.121 COCSc1cccnc1C=O 62a_100011934733_100000766300 [1,0,0,0,0,0|3,0,0]=4 316 B12R1.121 COCSc1ccncc1C=O 62a_100000050567_100000766300 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.121 COCSc1ccncc1C=O 62a_100000766300_100000050567 [1,0,0,0,0,0|3,0,0]=4 318 B12R1.121 COCSc1cnccc1C=O 62a_100000766300_100011934409 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.121 COCSc1cnccc1C=O 62a_100011934409_100000766300 [1,0,0,0,0,0|3,0,0]=4 320 B12R1.121 COCSc1ncccc1C=O 62a_100000766300_100009816751 [1,0,0,0,0,0|3,0,0]=4 321 B12R1.121 COCSc1ncccc1C=O 62a_100009816751_100000766300 [1,0,0,0,0,0|3,0,0]=4 322 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [1,0,0,0,0,0|3,0,0]=4 323 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [1,0,0,0,0,0|3,0,0]=4 324 B12R1.121 CSCSc1ccccc1C=O 62a_100000210073_100011218213 [1,0,0,0,0,0|2,0,0]=3 325 B12R1.121 CSCSc1ccccc1C=O 62a_100011218213_100000210073 [1,0,0,0,0,0|2,0,0]=3 326 B12R1.121 CSCSc1ccccc1CO 62a_100000187465_100011218213 [1,0,0,0,0,0|2,0,1]=4 327 B12R1.121 CSCSc1ccccc1CO 62a_100011218213_100000187465 [1,0,0,0,0,0|2,0,1]=4 328 B12R1.121 CSCSc1cccnc1C=O 62a_100011218213_100011934733 [1,0,0,0,0,0|3,0,0]=4 329 B12R1.121 CSCSc1cccnc1C=O 62a_100011934733_100011218213 [1,0,0,0,0,0|3,0,0]=4 330 B12R1.121 CSCSc1ccncc1C=O 62a_100000050567_100011218213 [1,0,0,0,0,0|3,0,0]=4 331 B12R1.121 CSCSc1ccncc1C=O 62a_100011218213_100000050567 [1,0,0,0,0,0|3,0,0]=4 332 B12R1.121 CSCSc1cnccc1C=O 62a_100011218213_100011934409 [1,0,0,0,0,0|3,0,0]=4 333 B12R1.121 CSCSc1cnccc1C=O 62a_100011934409_100011218213 [1,0,0,0,0,0|3,0,0]=4 334 B12R1.121 CSCSc1ncccc1C=O 62a_100009816751_100011218213 [1,0,0,0,0,0|3,0,0]=4 335 B12R1.121 CSCSc1ncccc1C=O 62a_100011218213_100009816751 [1,0,0,0,0,0|3,0,0]=4 336 B12R1.121 N#CCSc1ccccc1C=O 62a_100000210073_100011215382 [1,0,0,0,0,0|2,0,1]=4 337 B12R1.121 N#CCSc1ccccc1C=O 62a_100011215382_100000210073 [1,0,0,0,0,0|2,0,1]=4 338 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [1,0,0,0,0,0|2,0,1]=4 339 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [1,0,0,0,0,0|2,0,1]=4 340 B12R1.121 O=Cc1ccccc1CSCF 62a_100015361967_200009853537 [1,0,0,0,0,0|3,0,0]=4 341 B12R1.121 O=Cc1ccccc1CSCF 62a_200009853537_100015361967 [1,0,0,0,0,0|3,0,0]=4 342 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [1,0,0,0,0,0|2,0,0]=3 343 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [1,0,0,0,0,0|2,0,0]=3 344 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [1,0,0,0,0,0|2,0,0]=3 345 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [1,0,0,0,0,0|2,0,0]=3 346 B12R1.121 O=Cc1cccnc1SCCF 62a_100009816751_100011217306 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.121 O=Cc1cccnc1SCCF 62a_100011217306_100009816751 [1,0,0,0,0,0|3,0,0]=4 348 B12R1.121 O=Cc1cccnc1SCCO 62a_100000211926_100009816751 [1,0,0,0,0,0|3,0,0]=4 349 B12R1.121 O=Cc1cccnc1SCCO 62a_100009816751_100000211926 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.121 O=Cc1ccncc1SCCF 62a_100011217306_100011934409 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.121 O=Cc1ccncc1SCCF 62a_100011934409_100011217306 [1,0,0,0,0,0|3,0,0]=4 352 B12R1.121 O=Cc1ccncc1SCCO 62a_100000211926_100011934409 [1,0,0,0,0,0|3,0,0]=4 353 B12R1.121 O=Cc1ccncc1SCCO 62a_100011934409_100000211926 [1,0,0,0,0,0|3,0,0]=4 354 B12R1.121 O=Cc1cnccc1SCCF 62a_100000050567_100011217306 [1,0,0,0,0,0|3,0,0]=4 355 B12R1.121 O=Cc1cnccc1SCCF 62a_100011217306_100000050567 [1,0,0,0,0,0|3,0,0]=4 356 B12R1.121 O=Cc1cnccc1SCCO 62a_100000050567_100000211926 [1,0,0,0,0,0|3,0,0]=4 357 B12R1.121 O=Cc1cnccc1SCCO 62a_100000211926_100000050567 [1,0,0,0,0,0|3,0,0]=4 358 B12R1.121 O=Cc1ncccc1SCCF 62a_100011217306_100011934733 [1,0,0,0,0,0|3,0,0]=4 359 B12R1.121 O=Cc1ncccc1SCCF 62a_100011934733_100011217306 [1,0,0,0,0,0|3,0,0]=4 360 B12R1.121 O=Cc1ncccc1SCCO 62a_100000211926_100011934733 [1,0,0,0,0,0|3,0,0]=4 361 B12R1.121 O=Cc1ncccc1SCCO 62a_100011934733_100000211926 [1,0,0,0,0,0|3,0,0]=4 362 B12R1.121 OCCSc1ccccc1CO 62a_100000187465_100000211926 [1,0,0,0,0,0|2,0,1]=4 363 B12R1.121 OCCSc1ccccc1CO 62a_100000211926_100000187465 [1,0,0,0,0,0|2,0,1]=4 364 B12R1.121 OCc1ccccc1SCCF 62a_100000187465_100011217306 [1,0,0,0,0,0|2,0,1]=4 365 B12R1.121 OCc1ccccc1SCCF 62a_100011217306_100000187465 [1,0,0,0,0,0|2,0,1]=4 366 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [1,0,0,0,0,0|3,0,0]=4 368 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [1,0,0,0,0,0|3,0,0]=4 369 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [1,0,0,0,0,0|3,0,0]=4 370 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [1,0,0,0,0,0|2,1,0]=4 371 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [1,0,0,0,0,0|2,0,0]=3 372 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [1,0,0,0,0,0|2,0,0]=3 373 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [1,0,0,0,0,0|3,0,0]=4 374 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [1,0,0,0,0,0|3,0,0]=4 375 B12R1.283 CC(=O)c1ccncc1SCF 62a_100009993184_100015361967 [1,0,0,0,0,0|3,0,0]=4 376 B12R1.283 CC(=O)c1ccncc1SCF 62a_100015361967_100009993184 [1,0,0,0,0,0|3,0,0]=4 377 B12R1.283 CC(=O)c1cnccc1SCF 62a_100015361967_100160469449 [1,0,0,0,0,0|3,0,0]=4 378 B12R1.283 CC(=O)c1cnccc1SCF 62a_100160469449_100015361967 [1,0,0,0,0,0|3,0,0]=4 379 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [1,0,0,0,0,0|3,0,0]=4 380 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [1,0,0,0,0,0|3,0,0]=4 381 B12R1.283 CC(O)c1ccccc1SCF 62a_100000702211_100015361967 [1,0,0,0,0,0|2,0,1]=4 382 B12R1.283 CC(O)c1ccccc1SCF 62a_100015361967_100000702211 [1,0,0,0,0,0|2,0,1]=4 383 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,0,0,0,0,0|2,0,1]=4 384 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [1,0,0,0,0,0|2,0,1]=4 385 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [1,0,0,0,0,0|2,0,0]=3 386 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [1,0,0,0,0,0|2,0,1]=4 387 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [1,0,0,0,0,0|3,0,0]=4 388 B12R1.283 CCNc1ccncc1C(=O)C 27a_100015525214_100160469449 [1,0,0,0,0,0|3,0,0]=4 389 B12R1.283 CCNc1ccncc1C(=O)N 27a_100015525214_100000697804 [1,0,0,0,0,0|3,0,0]=4 390 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [1,0,0,0,0,0|3,0,0]=4 391 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [1,0,0,0,0,0|3,0,0]=4 392 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [1,0,0,0,0,0|1,1,0]=3 393 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [1,0,0,0,0,0|1,1,0]=3 394 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [1,0,0,0,0,0|1,1,0]=3 395 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [1,0,0,0,0,0|1,1,0]=3 396 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [1,0,0,0,0,0|0,1,1]=3 397 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [1,0,0,0,0,0|1,2,0]=4 398 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [1,0,0,0,0,0|1,1,1]=4 399 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [1,0,0,0,0,0|1,1,1]=4 400 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [1,0,0,0,0,0|1,1,1]=4 401 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [1,0,0,0,0,0|1,1,1]=4 402 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [1,0,0,0,0,0|2,1,0]=4 403 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [1,0,0,0,0,0|2,1,0]=4 404 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [1,0,0,0,0,0|2,1,0]=4 405 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [1,0,0,0,0,0|2,1,0]=4 406 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [1,0,0,0,0,0|2,1,0]=4 407 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [1,0,0,0,0,0|2,1,0]=4 408 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [1,0,0,0,0,0|2,1,0]=4 409 B12R1.283 CCSc1ccccc1B(O)O 62a_100000210202_100000693059 [1,0,0,0,0,0|1,0,1]=3 410 B12R1.283 CCSc1ccccc1B(O)O 62a_100000693059_100000210202 [1,0,0,0,0,0|1,0,1]=3 411 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [1,0,0,0,0,0|1,0,0]=2 412 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [1,0,0,0,0,0|1,0,0]=2 413 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [1,0,0,0,0,0|1,0,0]=2 414 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [1,0,0,0,0,0|1,0,0]=2 415 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [1,0,0,0,0,0|0,0,0]=1 416 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [1,0,0,0,0,0|0,0,0]=1 417 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [1,0,0,0,0,0|1,0,0]=2 418 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [1,0,0,0,0,0|2,0,1]=4 419 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [1,0,0,0,0,0|2,0,1]=4 421 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [1,0,0,0,0,0|2,0,1]=4 422 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [1,0,0,0,0,0|1,0,1]=3 423 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [1,0,0,0,0,0|1,0,1]=3 424 B12R1.283 CCSc1ccccc1C(F)F 62a_100000210202_100010169824 [1,0,0,0,0,0|2,0,1]=4 425 B12R1.283 CCSc1ccccc1C(F)F 62a_100010169824_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [1,0,0,0,0,0|3,0,0]=4 427 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [1,0,0,0,0,0|3,0,0]=4 428 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [1,0,0,0,0,0|2,0,0]=3 429 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [1,0,0,0,0,0|2,0,0]=3 430 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [1,0,0,0,0,0|2,0,0]=3 431 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [1,0,0,0,0,0|2,0,0]=3 432 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [1,0,0,0,0,0|2,0,0]=3 433 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [1,0,0,0,0,0|2,0,1]=4 434 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B12R1.283 CCSc1ccncc1C(=O)C 62a_100000210202_100160469449 [1,0,0,0,0,0|2,0,0]=3 436 B12R1.283 CCSc1ccncc1C(=O)C 62a_100160469449_100000210202 [1,0,0,0,0,0|2,0,0]=3 437 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000210202_100000697804 [1,0,0,0,0,0|2,0,0]=3 438 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000697804_100000210202 [1,0,0,0,0,0|2,0,0]=3 439 B12R1.283 CCSc1cnccc1B(O)O 62a_100000210202_200010176179 [1,0,0,0,0,0|2,0,1]=4 440 B12R1.283 CCSc1cnccc1B(O)O 62a_200010176179_100000210202 [1,0,0,0,0,0|2,0,1]=4 441 B12R1.283 CCSc1cnccc1C(=O)C 62a_100000210202_100009993184 [1,0,0,0,0,0|2,0,0]=3 442 B12R1.283 CCSc1cnccc1C(=O)C 62a_100009993184_100000210202 [1,0,0,0,0,0|2,0,0]=3 443 B12R1.283 CCSc1cnccc1C(=O)N 62a_100000210202_100010205435 [1,0,0,0,0,0|2,0,0]=3 444 B12R1.283 CCSc1cnccc1C(=O)N 62a_100010205435_100000210202 [1,0,0,0,0,0|2,0,0]=3 445 B12R1.283 CCSc1ncccc1B(O)O 62a_100000047247_100000210202 [1,0,0,0,0,0|2,0,1]=4 446 B12R1.283 CCSc1ncccc1B(O)O 62a_100000210202_100000047247 [1,0,0,0,0,0|2,0,1]=4 447 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [1,0,0,0,0,0|2,0,0]=3 448 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [1,0,0,0,0,0|2,0,0]=3 449 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [1,0,0,0,0,0|2,0,0]=3 450 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [1,0,0,0,0,0|2,0,0]=3 451 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [1,0,0,0,0,0|2,0,1]=4 452 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [1,0,0,0,0,0|2,0,1]=4 453 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [1,0,0,0,0,0|3,0,0]=4 454 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [1,0,0,0,0,0|3,0,0]=4 455 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [1,0,0,0,0,0|3,0,0]=4 456 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [1,0,0,0,0,0|3,0,0]=4 457 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [1,0,0,0,0,0|2,0,0]=3 458 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [1,0,0,0,0,0|3,0,0]=4 459 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [1,0,0,0,0,0|3,0,0]=4 460 B12R1.283 CS(=O)c1ccccc1SCF 62a_100000734199_100015361967 [1,0,0,0,0,0|3,0,0]=4 461 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [1,0,0,0,0,0|3,0,0]=4 462 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [1,0,0,0,0,0|2,1,0]=4 463 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [1,0,0,0,0,0|2,1,0]=4 464 B12R1.283 NC(=O)c1ccccc1SCF 62a_100000162227_100015361967 [1,0,0,0,0,0|2,0,0]=3 465 B12R1.283 NC(=O)c1ccccc1SCF 62a_100015361967_100000162227 [1,0,0,0,0,0|2,0,0]=3 466 B12R1.283 NC(=O)c1cccnc1SCF 62a_100000162199_100015361967 [1,0,0,0,0,0|3,0,0]=4 467 B12R1.283 NC(=O)c1cccnc1SCF 62a_100015361967_100000162199 [1,0,0,0,0,0|3,0,0]=4 468 B12R1.283 NC(=O)c1ccncc1SCF 62a_100010205435_100015361967 [1,0,0,0,0,0|3,0,0]=4 469 B12R1.283 NC(=O)c1ccncc1SCF 62a_100015361967_100010205435 [1,0,0,0,0,0|3,0,0]=4 470 B12R1.283 NC(=O)c1cnccc1SCF 62a_100000697804_100015361967 [1,0,0,0,0,0|3,0,0]=4 471 B12R1.283 NC(=O)c1cnccc1SCF 62a_100015361967_100000697804 [1,0,0,0,0,0|3,0,0]=4 472 B12R1.283 NC(=O)c1ncccc1SCF 62a_100015361967_200012359670 [1,0,0,0,0,0|3,0,0]=4 473 B12R1.283 NC(=O)c1ncccc1SCF 62a_200012359670_100015361967 [1,0,0,0,0,0|3,0,0]=4 474 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [1,0,0,0,0,0|1,0,0]=2 475 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [1,0,0,0,0,0|1,0,0]=2 476 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [1,0,0,0,0,0|1,1,1]=4 477 B12R1.283 OB(O)c1ccccc1SCF 62a_100000693059_100015361967 [1,0,0,0,0,0|2,0,1]=4 478 B12R1.283 OB(O)c1ccccc1SCF 62a_100015361967_100000693059 [1,0,0,0,0,0|2,0,1]=4 479 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [1,0,0,0,0,0|2,0,0]=3 480 B14R1.67 C=CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210623 [0,1,0,0,0,0|1,0,2]=4 481 B14R1.67 CC(=O)c1cc(ccc1SCCF)Br 62a_100012349576_100011217306 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.67 CC(=O)c1cc(ccc1SCCF)C 62a_100011217306_100012361225 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.67 CC(=O)c1cc(ccc1SCCF)C 62a_100012361225_100011217306 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.67 CC(=O)c1cc(ccc1SCCF)F 62a_100011217306_100010200798 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.67 CC(=O)c1cc(ccc1SCCF)F 62a_100012353695_100011217306 [0,1,0,0,0,0|3,0,0]=4 486 B14R1.67 CC(=O)c1cc(ccc1SCCF)N 62a_100012349454_100011217306 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.67 CC(=O)c1cc(ccc1SCCO)Br 62a_100012349576_100000211926 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.67 CC(=O)c1cc(ccc1SCCO)C 62a_100000211926_100012361225 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.67 CC(=O)c1cc(ccc1SCCO)C 62a_100012361225_100000211926 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.67 CC(=O)c1cc(ccc1SCCO)F 62a_100000211926_100010200798 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.67 CC(=O)c1cc(ccc1SCCO)F 62a_100012353695_100000211926 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.67 CC(=O)c1cc(ccc1SCCO)N 62a_100012349454_100000211926 [0,1,0,0,0,0|3,0,0]=4 493 B14R1.67 CCCCc1ccc(cc1C(=O)C)Br 271570a_100020621405_100012349576 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.67 CCCCc1ccc(cc1C(=O)C)C 271570a_100020621405_100012361225 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.67 CCCCc1ccc(cc1C(=O)C)F 271570a_100020621405_100012353695 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.67 CCCCc1ccc(cc1C(=O)C)N 271570a_100020621405_100012349454 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.67 CCCCc1ccc(cc1C(=O)N)Br 271570a_100020621405_200000162314 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.67 CCCCc1ccc(cc1C(=O)N)C 271570a_100020621405_200012349609 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.67 CCCCc1ccc(cc1C(=O)N)F 271570a_100020621405_100000206434 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.67 CCCCc1ccc(cc1C(=O)N)N 271570a_100020621405_100015186447 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.67 CCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210303 [0,1,0,0,0,0|3,0,0]=4 502 B14R1.67 CCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210303 [0,1,0,0,0,0|3,0,0]=4 503 B14R1.67 CCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210303 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.67 CCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210303 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.67 CCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210303 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.67 CCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210303 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.67 CCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210303 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 1458a_200000215689_200000210301 [0,1,0,0,0,0|2,1,0]=4 509 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210303 [0,1,0,0,0,0|2,1,0]=4 510 B14R1.67 CCCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210303 [0,1,0,0,0,0|2,1,0]=4 511 B14R1.67 CCCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210303 [0,1,0,0,0,0|2,1,0]=4 512 B14R1.67 CCCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210303 [0,1,0,0,0,0|2,1,0]=4 513 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 1458a_100000215691_200000210301 [0,1,0,0,0,0|2,1,0]=4 514 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210303 [0,1,0,0,0,0|2,1,0]=4 515 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210303 [0,1,0,0,0,0|2,1,0]=4 516 B14R1.67 CCCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210303 [0,1,0,0,0,0|2,1,0]=4 517 B14R1.67 CCCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210303 [0,1,0,0,0,0|2,1,0]=4 518 B14R1.67 CCCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210303 [0,1,0,0,0,0|2,1,0]=4 519 B14R1.67 CCCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210303 [0,1,0,0,0,0|2,1,0]=4 520 B14R1.67 CCCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210303 [0,1,0,0,0,0|2,1,0]=4 521 B14R1.67 CCCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210303 [0,1,0,0,0,0|2,1,0]=4 522 B14R1.67 CCCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210303 [0,1,0,0,0,0|2,1,0]=4 523 B14R1.67 CCCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210303 [0,1,0,0,0,0|2,1,0]=4 524 B14R1.67 CCCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210303 [0,1,0,0,0,0|2,1,0]=4 525 B14R1.67 CCCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210303 [0,1,0,0,0,0|2,1,0]=4 526 B14R1.67 CCCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210303 [0,1,0,0,0,0|2,1,0]=4 527 B14R1.67 CCCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210303 [0,1,0,0,0,0|2,1,0]=4 528 B14R1.67 CCCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210303 [0,1,0,0,0,0|2,1,0]=4 529 B14R1.67 CCCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215689_200025704644 [0,1,0,0,0,0|2,1,0]=4 530 B14R1.67 CCCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000215691_200025704644 [0,1,0,0,0,0|2,1,0]=4 531 B14R1.67 CCCSc1ccc(cc1B(O)O)C 62a_100000210303_200010883979 [0,1,0,0,0,0|2,0,1]=4 532 B14R1.67 CCCSc1ccc(cc1B(O)O)C 62a_200010883979_100000210303 [0,1,0,0,0,0|2,0,1]=4 533 B14R1.67 CCCSc1ccc(cc1B(O)O)F 62a_100000210303_200009816908 [0,1,0,0,0,0|2,0,1]=4 534 B14R1.67 CCCSc1ccc(cc1B(O)O)F 62a_200009816908_100000210303 [0,1,0,0,0,0|2,0,1]=4 535 B14R1.67 CCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210303 [0,1,0,0,0,0|2,0,0]=3 536 B14R1.67 CCCSc1ccc(cc1C(=O)C)C 62a_100000210303_100012361225 [0,1,0,0,0,0|2,0,0]=3 537 B14R1.67 CCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210303 [0,1,0,0,0,0|2,0,0]=3 538 B14R1.67 CCCSc1ccc(cc1C(=O)C)F 62a_100000210303_100010200798 [0,1,0,0,0,0|2,0,0]=3 539 B14R1.67 CCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210303 [0,1,0,0,0,0|2,0,0]=3 540 B14R1.67 CCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210303 [0,1,0,0,0,0|2,0,0]=3 541 B14R1.67 CCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210303 [0,1,0,0,0,0|2,0,0]=3 542 B14R1.67 CCCSc1ccc(cc1C(=O)N)C 62a_100000210303_200012349609 [0,1,0,0,0,0|2,0,0]=3 543 B14R1.67 CCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210303 [0,1,0,0,0,0|2,0,0]=3 544 B14R1.67 CCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210303 [0,1,0,0,0,0|2,0,0]=3 545 B14R1.67 CCCSc1ccc(cc1C(=O)N)F 62a_100000210303_100000206434 [0,1,0,0,0,0|2,0,0]=3 546 B14R1.67 CCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210303 [0,1,0,0,0,0|2,0,0]=3 547 B14R1.67 CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210303 [0,1,0,0,0,0|1,0,0]=2 548 B14R1.67 CCCSc1ccc(cc1[C@H](C)O)F 62a_100000210303_100134768474 [0,1,0,0,0,0|2,0,1]=4 549 B14R1.67 CCCSc1ccc(cc1[C@H](C)O)F 62a_100134768474_100000210303 [0,1,0,0,0,0|2,0,1]=4 550 B14R1.67 CCCSc1ncc(cc1C(=O)C)F 62a_100000118324_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.67 CCCSc1ncc(cc1C(=O)C)F 62a_100000210303_100000118324 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.67 CCCSc1ncc(cc1C(=O)N)F 62a_100000210303_100012183597 [0,1,0,0,0,0|3,0,0]=4 553 B14R1.67 CCCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000210303 [0,1,0,0,0,0|3,0,0]=4 554 B14R1.67 COCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000766300 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.67 COCSc1ccc(cc1C(=O)C)C 62a_100000766300_100012361225 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.67 COCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000766300 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.67 COCSc1ccc(cc1C(=O)C)F 62a_100000766300_100010200798 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.67 COCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000766300 [0,1,0,0,0,0|3,0,0]=4 559 B14R1.67 COCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000766300 [0,1,0,0,0,0|3,0,0]=4 560 B14R1.67 COCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000766300 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.67 COCSc1ccc(cc1C(=O)N)C 62a_100000766300_200012349609 [0,1,0,0,0,0|3,0,0]=4 562 B14R1.67 COCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000766300 [0,1,0,0,0,0|3,0,0]=4 563 B14R1.67 COCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000766300 [0,1,0,0,0,0|3,0,0]=4 564 B14R1.67 COCSc1ccc(cc1C(=O)N)F 62a_100000766300_100000206434 [0,1,0,0,0,0|3,0,0]=4 565 B14R1.67 COCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000766300 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.67 COCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000766300 [0,1,0,0,0,0|2,0,0]=3 567 B14R1.67 CSCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100011218213 [0,1,0,0,0,0|3,0,0]=4 568 B14R1.67 CSCSc1ccc(cc1C(=O)C)C 62a_100011218213_100012361225 [0,1,0,0,0,0|3,0,0]=4 569 B14R1.67 CSCSc1ccc(cc1C(=O)C)C 62a_100012361225_100011218213 [0,1,0,0,0,0|3,0,0]=4 570 B14R1.67 CSCSc1ccc(cc1C(=O)C)F 62a_100011218213_100010200798 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.67 CSCSc1ccc(cc1C(=O)C)F 62a_100012353695_100011218213 [0,1,0,0,0,0|3,0,0]=4 572 B14R1.67 CSCSc1ccc(cc1C(=O)C)N 62a_100012349454_100011218213 [0,1,0,0,0,0|3,0,0]=4 573 B14R1.67 CSCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100011218213 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.67 CSCSc1ccc(cc1C(=O)N)C 62a_100011218213_200012349609 [0,1,0,0,0,0|3,0,0]=4 575 B14R1.67 CSCSc1ccc(cc1C(=O)N)C 62a_200012349609_100011218213 [0,1,0,0,0,0|3,0,0]=4 576 B14R1.67 CSCSc1ccc(cc1C(=O)N)F 62a_100000206434_100011218213 [0,1,0,0,0,0|3,0,0]=4 577 B14R1.67 CSCSc1ccc(cc1C(=O)N)F 62a_100011218213_100000206434 [0,1,0,0,0,0|3,0,0]=4 578 B14R1.67 CSCSc1ccc(cc1C(=O)N)N 62a_100015186447_100011218213 [0,1,0,0,0,0|3,0,0]=4 579 B14R1.67 CSCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011218213 [0,1,0,0,0,0|2,0,0]=3 580 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCF 62a_100011217306_200012349609 [0,1,0,0,0,0|3,0,0]=4 581 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCF 62a_200012349609_100011217306 [0,1,0,0,0,0|3,0,0]=4 582 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCO 62a_100000211926_200012349609 [0,1,0,0,0,0|3,0,0]=4 583 B14R1.67 Cc1ccc(c(c1)C(=O)N)SCCO 62a_200012349609_100000211926 [0,1,0,0,0,0|3,0,0]=4 584 B14R1.67 N#CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011215382 [0,1,0,0,0,0|2,0,1]=4 585 B14R1.67 NC(=O)c1cc(ccc1SCCF)Br 62a_200000162314_100011217306 [0,1,0,0,0,0|3,0,0]=4 586 B14R1.67 NC(=O)c1cc(ccc1SCCF)F 62a_100000206434_100011217306 [0,1,0,0,0,0|3,0,0]=4 587 B14R1.67 NC(=O)c1cc(ccc1SCCF)F 62a_100011217306_100000206434 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.67 NC(=O)c1cc(ccc1SCCF)N 62a_100015186447_100011217306 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.67 NC(=O)c1cc(ccc1SCCO)Br 62a_200000162314_100000211926 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.67 NC(=O)c1cc(ccc1SCCO)F 62a_100000206434_100000211926 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.67 NC(=O)c1cc(ccc1SCCO)F 62a_100000211926_100000206434 [0,1,0,0,0,0|3,0,0]=4 592 B14R1.67 NC(=O)c1cc(ccc1SCCO)N 62a_100015186447_100000211926 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.67 O=C(O)c1cc(ccc1SCCF)Br 62a_100011072988_100011217306 [0,1,0,0,0,0|2,0,0]=3 594 B14R1.67 O=C(O)c1cc(ccc1SCCO)Br 62a_100011072988_100000211926 [0,1,0,0,0,0|2,0,0]=3 595 B14R1.67 O=CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_200015260668 [0,1,0,0,0,0|2,0,1]=4 596 B14R1.623 CCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210303 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.760 CC(=O)c1ccc(cc1SCCF)C 62a_100011217306_100012353930 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.760 CC(=O)c1ccc(cc1SCCF)C 62a_100012353930_100011217306 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.760 CC(=O)c1ccc(cc1SCCF)F 62a_100000686192_100011217306 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.760 CC(=O)c1ccc(cc1SCCF)O 62a_100012340537_100011217306 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.760 CC(=O)c1ccc(cc1SCCO)C 62a_100000211926_100012353930 [0,1,0,0,0,0|3,0,0]=4 602 B14R1.760 CC(=O)c1ccc(cc1SCCO)C 62a_100012353930_100000211926 [0,1,0,0,0,0|3,0,0]=4 603 B14R1.760 CC(=O)c1ccc(cc1SCCO)F 62a_100000686192_100000211926 [0,1,0,0,0,0|3,0,0]=4 604 B14R1.760 CC(=O)c1ccc(cc1SCCO)O 62a_100012340537_100000211926 [0,1,0,0,0,0|3,0,0]=4 605 B14R1.760 CCCCc1cc(ccc1C(=O)C)C 271570a_100020621405_100012353930 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.760 CCCCc1cc(ccc1C(=O)C)F 271570a_100020621405_100000686192 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.760 CCCCc1cc(ccc1C(=O)C)O 271570a_100020621405_100012340537 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.760 CCCCc1cc(ccc1C(=O)N)Br 271570a_100020621405_100009815748 [0,1,0,0,0,0|3,0,0]=4 609 B14R1.760 CCCCc1cc(ccc1C(=O)N)F 271570a_100020621405_100000206404 [0,1,0,0,0,0|3,0,0]=4 610 B14R1.760 CCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210303 [0,1,0,0,0,0|3,0,0]=4 611 B14R1.760 CCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210303 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.760 CCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210303 [0,1,0,0,0,0|3,0,0]=4 613 B14R1.760 CCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210303 [0,1,0,0,0,0|3,0,0]=4 614 B14R1.760 CCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210303 [0,1,0,0,0,0|3,0,0]=4 615 B14R1.760 CCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210303 [0,1,0,0,0,0|3,0,0]=4 616 B14R1.760 CCCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210303 [0,1,0,0,0,0|2,1,0]=4 617 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 1458a_100000217224_200000210301 [0,1,0,0,0,0|2,1,0]=4 618 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210303 [0,1,0,0,0,0|2,1,0]=4 619 B14R1.760 CCCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210303 [0,1,0,0,0,0|2,1,0]=4 620 B14R1.760 CCCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210303 [0,1,0,0,0,0|2,1,0]=4 621 B14R1.760 CCCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210303 [0,1,0,0,0,0|2,1,0]=4 622 B14R1.760 CCCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210303 [0,1,0,0,0,0|2,1,0]=4 623 B14R1.760 CCCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210303 [0,1,0,0,0,0|2,1,0]=4 624 B14R1.760 CCCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210303 [0,1,0,0,0,0|2,1,0]=4 625 B14R1.760 CCCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210303 [0,1,0,0,0,0|2,1,0]=4 626 B14R1.760 CCCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210303 [0,1,0,0,0,0|2,1,0]=4 627 B14R1.760 CCCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210303 [0,1,0,0,0,0|2,1,0]=4 628 B14R1.760 CCCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210303 [0,1,0,0,0,0|2,1,0]=4 629 B14R1.760 CCCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210303 [0,1,0,0,0,0|2,1,0]=4 630 B14R1.760 CCCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210303 [0,1,0,0,0,0|2,1,0]=4 631 B14R1.760 CCCOc1cc(ccc1C(=O)[13CH3])C 1458a_100000217224_200025704644 [0,1,0,0,0,0|2,1,0]=4 632 B14R1.760 CCCSc1cc(ccc1B(O)O)C 62a_100000210303_200011068827 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.760 CCCSc1cc(ccc1B(O)O)C 62a_200011068827_100000210303 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.760 CCCSc1cc(ccc1B(O)O)F 62a_100000210303_100010175514 [0,1,0,0,0,0|2,0,1]=4 635 B14R1.760 CCCSc1cc(ccc1B(O)O)F 62a_100010175514_100000210303 [0,1,0,0,0,0|2,0,1]=4 636 B14R1.760 CCCSc1cc(ccc1C(=O)C)C 62a_100000210303_100012353930 [0,1,0,0,0,0|2,0,0]=3 637 B14R1.760 CCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210303 [0,1,0,0,0,0|2,0,0]=3 638 B14R1.760 CCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210303 [0,1,0,0,0,0|2,0,0]=3 639 B14R1.760 CCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210303 [0,1,0,0,0,0|2,0,0]=3 640 B14R1.760 CCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210303 [0,1,0,0,0,0|2,0,0]=3 641 B14R1.760 CCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210303 [0,1,0,0,0,0|2,0,0]=3 642 B14R1.760 CCCSc1cc(ccc1C(=O)N)F 62a_100000210303_100000206404 [0,1,0,0,0,0|2,0,0]=3 643 B14R1.760 CCCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000210303 [0,1,0,0,0,0|3,0,0]=4 644 B14R1.760 CCCSc1nc(ccc1C(=O)N)C 62a_100000210303_100000041523 [0,1,0,0,0,0|3,0,0]=4 645 B14R1.760 COCSc1cc(ccc1C(=O)C)C 62a_100000766300_100012353930 [0,1,0,0,0,0|3,0,0]=4 646 B14R1.760 COCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000766300 [0,1,0,0,0,0|3,0,0]=4 647 B14R1.760 COCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000766300 [0,1,0,0,0,0|3,0,0]=4 648 B14R1.760 COCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000766300 [0,1,0,0,0,0|3,0,0]=4 649 B14R1.760 COCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000766300 [0,1,0,0,0,0|3,0,0]=4 650 B14R1.760 COCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000766300 [0,1,0,0,0,0|3,0,0]=4 651 B14R1.760 COCSc1cc(ccc1C(=O)N)F 62a_100000766300_100000206404 [0,1,0,0,0,0|3,0,0]=4 652 B14R1.760 CSCSc1cc(ccc1C(=O)C)C 62a_100011218213_100012353930 [0,1,0,0,0,0|3,0,0]=4 653 B14R1.760 CSCSc1cc(ccc1C(=O)C)C 62a_100012353930_100011218213 [0,1,0,0,0,0|3,0,0]=4 654 B14R1.760 CSCSc1cc(ccc1C(=O)C)F 62a_100000686192_100011218213 [0,1,0,0,0,0|3,0,0]=4 655 B14R1.760 CSCSc1cc(ccc1C(=O)C)O 62a_100012340537_100011218213 [0,1,0,0,0,0|3,0,0]=4 656 B14R1.760 CSCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100011218213 [0,1,0,0,0,0|3,0,0]=4 657 B14R1.760 CSCSc1cc(ccc1C(=O)N)F 62a_100000206404_100011218213 [0,1,0,0,0,0|3,0,0]=4 658 B14R1.760 CSCSc1cc(ccc1C(=O)N)F 62a_100011218213_100000206404 [0,1,0,0,0,0|3,0,0]=4 659 B14R1.760 NC(=O)c1ccc(cc1SCCF)Br 62a_100009815748_100011217306 [0,1,0,0,0,0|3,0,0]=4 660 B14R1.760 NC(=O)c1ccc(cc1SCCF)F 62a_100000206404_100011217306 [0,1,0,0,0,0|3,0,0]=4 661 B14R1.760 NC(=O)c1ccc(cc1SCCF)F 62a_100011217306_100000206404 [0,1,0,0,0,0|3,0,0]=4 662 B14R1.760 NC(=O)c1ccc(cc1SCCO)Br 62a_100009815748_100000211926 [0,1,0,0,0,0|3,0,0]=4 663 B14R1.760 NC(=O)c1ccc(cc1SCCO)F 62a_100000206404_100000211926 [0,1,0,0,0,0|3,0,0]=4 664 B14R1.760 NC(=O)c1ccc(cc1SCCO)F 62a_100000211926_100000206404 [0,1,0,0,0,0|3,0,0]=4 665 B14R1.788 CCCSc1ccccc1C(C)(C)O 62a_100000210303_100011346021 [0,1,0,0,0,0|2,0,1]=4 666 B14R1.788 CCCSc1ccccc1C(C)(C)O 62a_100011346021_100000210303 [0,1,0,0,0,0|2,0,1]=4 667 B14R1.788 CCCSc1ccccc1S(=O)(=O)C 62a_100000210303_100000751929 [0,1,0,0,0,0|2,0,1]=4 668 B14R1.788 CCCSc1ccccc1S(=O)(=O)C 62a_100000751929_100000210303 [0,1,0,0,0,0|2,0,1]=4 669 B14R1.788 CCCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000210303 [0,1,0,0,0,0|2,0,1]=4 670 B14R1.789 C#CCSc1ccccc1C(=O)OC 62a_100000038162_100000148710 [0,1,0,0,0,0|1,0,2]=4 671 B14R1.789 C#CCSc1ccccc1C(=O)O[Na] 62a_100000038162_114855342371 [0,1,0,0,0,0|1,0,2]=4 672 B14R1.789 C=CCSc1ccccc1C(=O)OC 62a_100000148710_100000210623 [0,1,0,0,0,0|1,0,2]=4 673 B14R1.789 C=CCSc1ccccc1C(=O)OC 62a_100000210623_100000148710 [0,1,0,0,0,0|1,0,2]=4 674 B14R1.789 C=CCSc1ccccc1C(=O)O[Na] 62a_100000210623_114855342371 [0,1,0,0,0,0|1,0,2]=4 675 B14R1.789 CCCCc1ccccc1C(=O)NC 271570a_100020621405_100000155073 [0,1,0,0,0,0|3,0,0]=4 676 B14R1.789 CCCCc1ccccc1C(=O)NN 271570a_100020621405_100000190081 [0,1,0,0,0,0|3,0,0]=4 677 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [0,1,0,0,0,0|2,0,0]=3 678 B14R1.789 CCCCc1cccnc1C(=O)OC 271570a_100020621405_100011935214 [0,1,0,0,0,0|3,0,0]=4 679 B14R1.789 CCCCc1ccncc1C(=O)OC 271570a_100020621405_100020629055 [0,1,0,0,0,0|3,0,0]=4 680 B14R1.789 CCCCc1cnccc1C(=O)OC 271570a_100020621405_100010008606 [0,1,0,0,0,0|3,0,0]=4 681 B14R1.789 CCCCc1ncccc1C(=O)OC 271570a_100020621405_100000150852 [0,1,0,0,0,0|3,0,0]=4 682 B14R1.789 CCCNc1ccccc1C(=O)NC 34a_100000185696_100000210303 [0,1,0,0,0,0|3,0,0]=4 683 B14R1.789 CCCOc1ccccc1C(=NO)C 34a_100000164216_100000210303 [0,1,0,0,0,0|2,1,0]=4 684 B14R1.789 CCCOc1ccccc1C(=O)CBr 7a_100000188908_100000210303 [0,1,0,0,0,0|2,1,0]=4 685 B14R1.789 CCCOc1ccccc1C(=O)CC 1458a_100000215688_100000210202 [0,1,0,0,0,0|2,1,0]=4 686 B14R1.789 CCCOc1ccccc1C(=O)CC 7a_100000184720_100000210303 [0,1,0,0,0,0|2,1,0]=4 687 B14R1.789 CCCOc1ccccc1C(=O)CF 1458a_100000215688_100015361967 [0,1,0,0,0,0|2,1,0]=4 688 B14R1.789 CCCOc1ccccc1C(=O)NC 11a_106832991635_100000215688 [0,1,0,0,0,0|2,1,0]=4 689 B14R1.789 CCCOc1ccccc1C(=O)NC 1626a_100102657272_100000215688 [0,1,0,0,0,0|2,1,0]=4 690 B14R1.789 CCCOc1ccccc1C(=O)NC 240690a_100102657272_100000215688 [0,1,0,0,0,0|2,1,0]=4 691 B14R1.789 CCCOc1ccccc1C(=O)NC 34a_100000185920_100000210303 [0,1,0,0,0,0|2,1,0]=4 692 B14R1.789 CCCOc1ccccc1C(=O)NC 527a_100102657272_100000215688 [0,1,0,0,0,0|2,1,0]=4 693 B14R1.789 CCCOc1ccccc1C(=O)NC 7a_100000185920_100000210303 [0,1,0,0,0,0|2,1,0]=4 694 B14R1.789 CCCOc1ccccc1C(=O)NN 34a_100000186518_100000210303 [0,1,0,0,0,0|2,1,0]=4 695 B14R1.789 CCCOc1ccccc1C(=O)NO 34a_100000188472_100000210303 [0,1,0,0,0,0|1,1,0]=3 696 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [0,1,0,0,0,0|1,1,0]=3 697 B14R1.789 CCCOc1cccnc1C(=O)OC 34a_100000744052_100000210303 [0,1,0,0,0,0|2,1,0]=4 698 B14R1.789 CCCOc1cccnc1C(=O)OC 7a_100000744052_100000210303 [0,1,0,0,0,0|2,1,0]=4 699 B14R1.789 CCCSc1ccccc1C(=O)CC 1458a_100000217225_100000210202 [0,1,0,0,0,0|2,0,0]=3 700 B14R1.789 CCCSc1ccccc1C(=O)CF 1458a_100000217225_100015361967 [0,1,0,0,0,0|2,0,0]=3 701 B14R1.789 CCCSc1ccccc1C(=O)NC 11a_106832991635_100000217225 [0,1,0,0,0,0|2,0,0]=3 702 B14R1.789 CCCSc1ccccc1C(=O)NC 1626a_100102657272_100000217225 [0,1,0,0,0,0|2,0,0]=3 703 B14R1.789 CCCSc1ccccc1C(=O)NC 240690a_100102657272_100000217225 [0,1,0,0,0,0|2,0,0]=3 704 B14R1.789 CCCSc1ccccc1C(=O)NC 527a_100102657272_100000217225 [0,1,0,0,0,0|2,0,0]=3 705 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000155073_100000210303 [0,1,0,0,0,0|2,0,0]=3 706 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000210303_100000155073 [0,1,0,0,0,0|2,0,0]=3 707 B14R1.789 CCCSc1ccccc1C(=O)NN 62a_100000190081_100000210303 [0,1,0,0,0,0|2,0,0]=3 708 B14R1.789 CCCSc1ccccc1C(=O)NN 62a_100000210303_100000190081 [0,1,0,0,0,0|2,0,0]=3 709 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [0,1,0,0,0,0|1,0,0]=2 710 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [0,1,0,0,0,0|1,0,0]=2 711 B14R1.789 CCCSc1ccccc1C(=O)O[Na] 62a_100000210303_114855342371 [0,1,0,0,0,0|1,0,0]=2 712 B14R1.789 CCCSc1ccccc1C(O)CN 62a_100000210303_100011236429 [0,1,0,0,0,0|2,0,1]=4 713 B14R1.789 CCCSc1ccccc1C(O)CN 62a_100011236429_100000210303 [0,1,0,0,0,0|2,0,1]=4 714 B14R1.789 CCCSc1ccccc1[C@H](N)CO 62a_100000210303_100161155918 [0,1,0,0,0,0|2,0,1]=4 715 B14R1.789 CCCSc1ccccc1[C@H](N)CO 62a_100161155918_100000210303 [0,1,0,0,0,0|2,0,1]=4 716 B14R1.789 CCCSc1cccnc1C(=O)OC 62a_100000210303_100011935214 [0,1,0,0,0,0|2,0,0]=3 717 B14R1.789 CCCSc1cccnc1C(=O)OC 62a_100011935214_100000210303 [0,1,0,0,0,0|2,0,0]=3 718 B14R1.789 CCCSc1ccncc1C(=O)OC 62a_100000210303_100020629055 [0,1,0,0,0,0|2,0,0]=3 719 B14R1.789 CCCSc1ccncc1C(=O)OC 62a_100020629055_100000210303 [0,1,0,0,0,0|2,0,0]=3 720 B14R1.789 CCCSc1cnccc1C(=O)OC 62a_100000210303_100010008606 [0,1,0,0,0,0|2,0,0]=3 721 B14R1.789 CCCSc1cnccc1C(=O)OC 62a_100010008606_100000210303 [0,1,0,0,0,0|2,0,0]=3 722 B14R1.789 CCCSc1cncnc1C(=O)OC 62a_100000210303_100012360100 [0,1,0,0,0,0|3,0,0]=4 723 B14R1.789 CCCSc1cncnc1C(=O)OC 62a_100012360100_100000210303 [0,1,0,0,0,0|3,0,0]=4 724 B14R1.789 CCCSc1ncccc1C(=O)NC 62a_100000159833_100000210303 [0,1,0,0,0,0|3,0,0]=4 725 B14R1.789 CCCSc1ncccc1C(=O)NC 62a_100000210303_100000159833 [0,1,0,0,0,0|3,0,0]=4 726 B14R1.789 CCCSc1ncccc1C(=O)OC 62a_100000210303_100000150852 [0,1,0,0,0,0|2,0,0]=3 727 B14R1.789 CCCSc1ncccc1C(=O)OC 62a_100011587185_100000210303 [0,1,0,0,0,0|2,0,0]=3 728 B14R1.789 CCCSc1nccnc1C(=O)OC 62a_100000210303_100000079898 [0,1,0,0,0,0|3,0,0]=4 729 B14R1.789 CCCSc1nccnc1C(=O)OC 62a_100000688410_100000210303 [0,1,0,0,0,0|3,0,0]=4 730 B14R1.789 CCCSc1ncncc1C(=O)OC 62a_100000210303_100000726419 [0,1,0,0,0,0|3,0,0]=4 731 B14R1.789 CCCSc1ncncc1C(=O)OC 62a_100000726419_100000210303 [0,1,0,0,0,0|3,0,0]=4 732 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [0,1,0,0,0,0|2,0,0]=3 733 B14R1.789 CCNCc1cccnc1C(=O)OC 2230a_100015525214_100010177730 [0,1,0,0,0,0|3,0,0]=4 734 B14R1.789 CCNCc1ncccc1C(=O)OC 2230a_100015525214_100000709840 [0,1,0,0,0,0|3,0,0]=4 735 B14R1.789 CCOCc1ccccc1C(=O)NC 34a_100009855793_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B14R1.789 CCOCc1ccccc1C(=O)NC 7a_100009855793_100000210202 [0,1,0,0,0,0|3,0,0]=4 737 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [0,1,0,0,0,0|2,0,0]=3 738 B14R1.789 CCOCc1cccnc1C(=O)OC 34a_100121572206_100010177730 [0,1,0,0,0,0|3,0,0]=4 739 B14R1.789 CCOCc1ncccc1C(=O)OC 34a_100121572206_100012347567 [0,1,0,0,0,0|3,0,0]=4 740 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [0,1,0,0,0,0|2,0,0]=3 741 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [0,1,0,0,0,0|2,0,0]=3 742 B14R1.789 CCSCc1cccnc1C(=O)OC 62a_100000210202_100010177730 [0,1,0,0,0,0|3,0,0]=4 743 B14R1.789 CCSCc1cccnc1C(=O)OC 62a_100010177730_100000210202 [0,1,0,0,0,0|3,0,0]=4 744 B14R1.789 CCSCc1ncccc1C(=O)OC 62a_100000210202_100000709840 [0,1,0,0,0,0|3,0,0]=4 745 B14R1.789 CCSCc1ncccc1C(=O)OC 62a_100000709840_100000210202 [0,1,0,0,0,0|3,0,0]=4 746 B14R1.789 CC[Hg]Sc1ccccc1C(=O)CC 1458a_100000046266_100000210202 [0,1,0,0,0,0|1,0,0]=2 747 B14R1.789 CC[Hg]Sc1ccccc1C(=O)CF 1458a_100000046266_100015361967 [0,1,0,0,0,0|1,0,0]=2 748 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 11a_106832991635_100000046266 [0,1,0,0,0,0|1,0,0]=2 749 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 1626a_100102657272_100000046266 [0,1,0,0,0,0|1,0,0]=2 750 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 240690a_100102657272_100000046266 [0,1,0,0,0,0|1,0,0]=2 751 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 527a_100102657272_100000046266 [0,1,0,0,0,0|1,0,0]=2 752 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100000155073_100011217306 [0,1,0,0,0,0|3,0,0]=4 753 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100011217306_100000155073 [0,1,0,0,0,0|3,0,0]=4 754 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000155073_100000211926 [0,1,0,0,0,0|3,0,0]=4 755 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000211926_100000155073 [0,1,0,0,0,0|3,0,0]=4 756 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000155073_100000766300 [0,1,0,0,0,0|3,0,0]=4 757 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000766300_100000155073 [0,1,0,0,0,0|3,0,0]=4 758 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100000155073_100011218213 [0,1,0,0,0,0|3,0,0]=4 759 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100011218213_100000155073 [0,1,0,0,0,0|3,0,0]=4 760 B14R1.789 CNCCc1ccccc1C(=O)OC 2230a_106832991635_200010284099 [0,1,0,0,0,0|3,0,0]=4 761 B14R1.789 CNCCc1ccccc1C(=O)OC 34a_100102657272_200010284099 [0,1,0,0,0,0|3,0,0]=4 762 B14R1.789 CNCCc1ccccc1C(=O)OC 7a_106832991635_200010284099 [0,1,0,0,0,0|3,0,0]=4 763 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200000210301_200010284099 [0,1,0,0,0,0|3,0,0]=4 764 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200010284099_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200010284099_200025704644 [0,1,0,0,0,0|3,0,0]=4 766 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200025704644_200010284099 [0,1,0,0,0,0|3,0,0]=4 767 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100000744672_100015361967 [0,1,0,0,0,0|3,0,0]=4 768 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100015361967_100000744672 [0,1,0,0,0,0|3,0,0]=4 769 B14R1.789 COC(=O)c1ccccc1OCCF 7a_100000150335_100011217306 [0,1,0,0,0,0|2,1,0]=4 770 B14R1.789 COC(=O)c1ccccc1OCCO 7a_100000150335_100000211926 [0,1,0,0,0,0|2,1,0]=4 771 B14R1.789 COC(=O)c1ccccc1SCC#N 62a_100000148710_100011215382 [0,1,0,0,0,0|2,0,1]=4 772 B14R1.789 COC(=O)c1ccccc1SCC#N 62a_100011215382_100000148710 [0,1,0,0,0,0|2,0,1]=4 773 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_100000148710_200015260668 [0,1,0,0,0,0|2,0,1]=4 774 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_200015260668_100000148710 [0,1,0,0,0,0|2,0,1]=4 775 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100000148710_100011217306 [0,1,0,0,0,0|2,0,0]=3 776 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100011217306_100000148710 [0,1,0,0,0,0|2,0,0]=3 777 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000148710_100000211926 [0,1,0,0,0,0|2,0,0]=3 778 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000211926_100000148710 [0,1,0,0,0,0|2,0,0]=3 779 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100000148710_100011218213 [0,1,0,0,0,0|2,0,0]=3 780 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100011218213_100000148710 [0,1,0,0,0,0|2,0,0]=3 781 B14R1.789 COC(=O)c1cccnc1SCCF 62a_100011217306_100000150852 [0,1,0,0,0,0|3,0,0]=4 782 B14R1.789 COC(=O)c1cccnc1SCCF 62a_100011587185_100011217306 [0,1,0,0,0,0|3,0,0]=4 783 B14R1.789 COC(=O)c1cccnc1SCCO 62a_100000211926_100000150852 [0,1,0,0,0,0|3,0,0]=4 784 B14R1.789 COC(=O)c1cccnc1SCCO 62a_100011587185_100000211926 [0,1,0,0,0,0|3,0,0]=4 785 B14R1.789 COC(=O)c1cccnc1SCSC 62a_100011218213_100000150852 [0,1,0,0,0,0|3,0,0]=4 786 B14R1.789 COC(=O)c1cccnc1SCSC 62a_100011587185_100011218213 [0,1,0,0,0,0|3,0,0]=4 787 B14R1.789 COC(=O)c1ccncc1SCCF 62a_100010008606_100011217306 [0,1,0,0,0,0|3,0,0]=4 788 B14R1.789 COC(=O)c1ccncc1SCCF 62a_100011217306_100010008606 [0,1,0,0,0,0|3,0,0]=4 789 B14R1.789 COC(=O)c1ccncc1SCCO 62a_100000211926_100010008606 [0,1,0,0,0,0|3,0,0]=4 790 B14R1.789 COC(=O)c1ccncc1SCCO 62a_100010008606_100000211926 [0,1,0,0,0,0|3,0,0]=4 791 B14R1.789 COC(=O)c1ccncc1SCSC 62a_100010008606_100011218213 [0,1,0,0,0,0|3,0,0]=4 792 B14R1.789 COC(=O)c1ccncc1SCSC 62a_100011218213_100010008606 [0,1,0,0,0,0|3,0,0]=4 793 B14R1.789 COC(=O)c1cnccc1SCCF 62a_100011217306_100020629055 [0,1,0,0,0,0|3,0,0]=4 794 B14R1.789 COC(=O)c1cnccc1SCCF 62a_100020629055_100011217306 [0,1,0,0,0,0|3,0,0]=4 795 B14R1.789 COC(=O)c1cnccc1SCCO 62a_100000211926_100020629055 [0,1,0,0,0,0|3,0,0]=4 796 B14R1.789 COC(=O)c1cnccc1SCCO 62a_100020629055_100000211926 [0,1,0,0,0,0|3,0,0]=4 797 B14R1.789 COC(=O)c1cnccc1SCSC 62a_100011218213_100020629055 [0,1,0,0,0,0|3,0,0]=4 798 B14R1.789 COC(=O)c1cnccc1SCSC 62a_100020629055_100011218213 [0,1,0,0,0,0|3,0,0]=4 799 B14R1.789 COC(=O)c1ncccc1SCCF 62a_100011217306_100011935214 [0,1,0,0,0,0|3,0,0]=4 800 B14R1.789 COC(=O)c1ncccc1SCCF 62a_100011935214_100011217306 [0,1,0,0,0,0|3,0,0]=4 801 B14R1.789 COC(=O)c1ncccc1SCCO 62a_100000211926_100011935214 [0,1,0,0,0,0|3,0,0]=4 802 B14R1.789 COC(=O)c1ncccc1SCCO 62a_100011935214_100000211926 [0,1,0,0,0,0|3,0,0]=4 803 B14R1.789 COC(=O)c1ncccc1SCSC 62a_100011218213_100011935214 [0,1,0,0,0,0|3,0,0]=4 804 B14R1.789 COC(=O)c1ncccc1SCSC 62a_100011935214_100011218213 [0,1,0,0,0,0|3,0,0]=4 805 B14R1.789 COCCc1ccccc1C(=O)OC 34a_100138415774_200010284099 [0,1,0,0,0,0|3,0,0]=4 806 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000190081_100000766300 [0,1,0,0,0,0|3,0,0]=4 807 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000766300_100000190081 [0,1,0,0,0,0|3,0,0]=4 808 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000148710_100000766300 [0,1,0,0,0,0|2,0,0]=3 809 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000766300_100000148710 [0,1,0,0,0,0|2,0,0]=3 810 B14R1.789 COCSc1ccccc1C(=O)O[Na] 62a_100000766300_114855342371 [0,1,0,0,0,0|2,0,0]=3 811 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100000766300_100011935214 [0,1,0,0,0,0|3,0,0]=4 812 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100011935214_100000766300 [0,1,0,0,0,0|3,0,0]=4 813 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100000766300_100020629055 [0,1,0,0,0,0|3,0,0]=4 814 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100020629055_100000766300 [0,1,0,0,0,0|3,0,0]=4 815 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100000766300_100010008606 [0,1,0,0,0,0|3,0,0]=4 816 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100010008606_100000766300 [0,1,0,0,0,0|3,0,0]=4 817 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100000766300_100000150852 [0,1,0,0,0,0|3,0,0]=4 818 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100011587185_100000766300 [0,1,0,0,0,0|3,0,0]=4 819 B14R1.789 CSCOc1ccccc1C(=O)NO 34a_100000188472_100011218213 [0,1,0,0,0,0|2,1,0]=4 820 B14R1.789 CSCSc1ccccc1C(=O)NN 62a_100000190081_100011218213 [0,1,0,0,0,0|3,0,0]=4 821 B14R1.789 CSCSc1ccccc1C(=O)NN 62a_100011218213_100000190081 [0,1,0,0,0,0|3,0,0]=4 822 B14R1.789 CSCSc1ccccc1C(=O)O[Na] 62a_100011218213_114855342371 [0,1,0,0,0,0|2,0,0]=3 823 B14R1.789 N#CCSc1ccccc1C(=O)O[Na] 62a_100011215382_114855342371 [0,1,0,0,0,0|2,0,1]=4 824 B14R1.789 NNC(=O)c1ccccc1SCCF 62a_100000190081_100011217306 [0,1,0,0,0,0|3,0,0]=4 825 B14R1.789 NNC(=O)c1ccccc1SCCF 62a_100011217306_100000190081 [0,1,0,0,0,0|3,0,0]=4 826 B14R1.789 NNC(=O)c1ccccc1SCCO 62a_100000190081_100000211926 [0,1,0,0,0,0|3,0,0]=4 827 B14R1.789 NNC(=O)c1ccccc1SCCO 62a_100000211926_100000190081 [0,1,0,0,0,0|3,0,0]=4 828 B14R1.789 O=C(NO)c1ccccc1OCCF 34a_100000188472_100011217306 [0,1,0,0,0,0|2,1,0]=4 829 B14R1.789 O=C(NO)c1ccccc1OCCO 34a_100000188472_100000211926 [0,1,0,0,0,0|2,1,0]=4 830 B14R1.789 O=C(O[Na])c1ccccc1SCCF 62a_100011217306_114855342371 [0,1,0,0,0,0|2,0,0]=3 831 B14R1.789 O=C(O[Na])c1ccccc1SCCO 62a_100000211926_114855342371 [0,1,0,0,0,0|2,0,0]=3 832 B14R1.789 O=CCSc1ccccc1C(=O)O[Na] 62a_200015260668_114855342371 [0,1,0,0,0,0|2,0,1]=4 833 B14R1.903 C#CCCSc1ccccc1C(=O)C 62a_100000751169_100000688953 [0,1,0,0,0,0|2,0,1]=4 834 B14R1.903 C#CCCSc1ccccc1C(=O)N 62a_100000162227_100000688953 [0,1,0,0,0,0|2,0,1]=4 835 B14R1.903 C#CCCSc1ccccc1C(=O)N 62a_100000688953_100000162227 [0,1,0,0,0,0|2,0,1]=4 836 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_100000688953_100000734275 [0,1,0,0,0,0|1,0,1]=3 837 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_202125556159_100000688953 [0,1,0,0,0,0|1,0,1]=3 838 B14R1.903 C#CCNCc1ccccc1C(=O)O 269956a_100015183376_100000184674 [0,1,0,0,0,0|2,0,1]=4 839 B14R1.903 C/C=C/CSc1ccccc1C(=O)C 62a_100000751169_100102629194 [0,1,0,0,0,0|2,0,1]=4 840 B14R1.903 C/C=C/CSc1ccccc1C(=O)N 62a_100000162227_100102629194 [0,1,0,0,0,0|2,0,1]=4 841 B14R1.903 C/C=C/CSc1ccccc1C(=O)N 62a_100102629194_100000162227 [0,1,0,0,0,0|2,0,1]=4 842 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_100102629194_100000734275 [0,1,0,0,0,0|1,0,1]=3 843 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_202125556159_100102629194 [0,1,0,0,0,0|1,0,1]=3 844 B14R1.903 C=C(C)c1ccccc1CSCCC 271570a_100000694244_200000173363 [0,1,0,0,0,0|3,0,0]=4 845 B14R1.903 C=C(C)c1ccccc1SCCOC 271570a_100000694244_200016336083 [0,1,0,0,0,0|3,0,0]=4 846 B14R1.903 C=CCCSc1ccccc1C(=O)C 62a_100000751169_100000754431 [0,1,0,0,0,0|2,0,1]=4 847 B14R1.903 C=CCCSc1ccccc1C(=O)N 62a_100000162227_100000754431 [0,1,0,0,0,0|2,0,1]=4 848 B14R1.903 C=CCCSc1ccccc1C(=O)N 62a_100000754431_100000162227 [0,1,0,0,0,0|2,0,1]=4 849 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_100000754431_100000734275 [0,1,0,0,0,0|1,0,1]=3 850 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_202125556159_100000754431 [0,1,0,0,0,0|1,0,1]=3 851 B14R1.903 C=CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210623 [0,1,0,0,0,0|2,0,1]=4 852 B14R1.903 CC#CCSc1ccccc1C(=O)C 62a_100000751169_100000748600 [0,1,0,0,0,0|2,0,1]=4 853 B14R1.903 CC#CCSc1ccccc1C(=O)N 62a_100000162227_100000748600 [0,1,0,0,0,0|2,0,1]=4 854 B14R1.903 CC#CCSc1ccccc1C(=O)N 62a_100000748600_100000162227 [0,1,0,0,0,0|2,0,1]=4 855 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_100000748600_100000734275 [0,1,0,0,0,0|1,0,1]=3 856 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_202125556159_100000748600 [0,1,0,0,0,0|1,0,1]=3 857 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_100000184561_200025704644 [0,1,0,0,0,0|2,1,0]=4 858 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_200025704644_100000184561 [0,1,0,0,0,0|2,1,0]=4 859 B14R1.903 CC(=O)c1ccccc1SCCC#N 62a_100000751169_100011215226 [0,1,0,0,0,0|2,0,1]=4 860 B14R1.903 CC(=O)c1ccccc1SCCCF 62a_100000751169_100011934791 [0,1,0,0,0,0|2,0,0]=3 861 B14R1.903 CC(=O)c1ccccc1SCCCO 62a_100000751169_100011215043 [0,1,0,0,0,0|2,0,0]=3 862 B14R1.903 CC(=O)c1cccnc1SCCCF 62a_100000753718_100011934791 [0,1,0,0,0,0|3,0,0]=4 863 B14R1.903 CC(=O)c1cccnc1SCCCF 62a_100011934791_100000753718 [0,1,0,0,0,0|3,0,0]=4 864 B14R1.903 CC(=O)c1cccnc1SCCCO 62a_100000753718_100011215043 [0,1,0,0,0,0|3,0,0]=4 865 B14R1.903 CC(=O)c1cccnc1SCCCO 62a_100011215043_100000753718 [0,1,0,0,0,0|3,0,0]=4 866 B14R1.903 CC(=O)c1ccncc1SCCCF 62a_100009993184_100011934791 [0,1,0,0,0,0|3,0,0]=4 867 B14R1.903 CC(=O)c1ccncc1SCCCF 62a_100011934791_100009993184 [0,1,0,0,0,0|3,0,0]=4 868 B14R1.903 CC(=O)c1ccncc1SCCCO 62a_100009993184_100011215043 [0,1,0,0,0,0|3,0,0]=4 869 B14R1.903 CC(=O)c1ccncc1SCCCO 62a_100011215043_100009993184 [0,1,0,0,0,0|3,0,0]=4 870 B14R1.903 CC(=O)c1cnccc1SCCCF 62a_100011934791_100160469449 [0,1,0,0,0,0|3,0,0]=4 871 B14R1.903 CC(=O)c1cnccc1SCCCF 62a_100160469449_100011934791 [0,1,0,0,0,0|3,0,0]=4 872 B14R1.903 CC(=O)c1cnccc1SCCCO 62a_100011215043_100160469449 [0,1,0,0,0,0|3,0,0]=4 873 B14R1.903 CC(=O)c1cnccc1SCCCO 62a_100160469449_100011215043 [0,1,0,0,0,0|3,0,0]=4 874 B14R1.903 CC(=O)c1ncccc1SCCCF 62a_100011934791_100012348690 [0,1,0,0,0,0|3,0,0]=4 875 B14R1.903 CC(=O)c1ncccc1SCCCF 62a_100012348690_100011934791 [0,1,0,0,0,0|3,0,0]=4 876 B14R1.903 CC(=O)c1ncccc1SCCCO 62a_100011215043_100012348690 [0,1,0,0,0,0|3,0,0]=4 877 B14R1.903 CC(=O)c1ncccc1SCCCO 62a_100012348690_100011215043 [0,1,0,0,0,0|3,0,0]=4 878 B14R1.903 CC(O)c1ccccc1SCCCF 62a_100000702211_100011934791 [0,1,0,0,0,0|2,0,1]=4 879 B14R1.903 CC(O)c1ccccc1SCCCF 62a_100011934791_100000702211 [0,1,0,0,0,0|2,0,1]=4 880 B14R1.903 CC(O)c1ccccc1SCCCO 62a_100000702211_100011215043 [0,1,0,0,0,0|2,0,1]=4 881 B14R1.903 CC(O)c1ccccc1SCCCO 62a_100011215043_100000702211 [0,1,0,0,0,0|2,0,1]=4 882 B14R1.903 CC=CCSc1ccccc1C(=O)C 62a_100000751169_100000070051 [0,1,0,0,0,0|2,0,1]=4 883 B14R1.903 CC=CCSc1ccccc1C(=O)N 62a_100000070051_100000162227 [0,1,0,0,0,0|2,0,1]=4 884 B14R1.903 CC=CCSc1ccccc1C(=O)N 62a_100000162227_100000070051 [0,1,0,0,0,0|2,0,1]=4 885 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_100000070051_100000734275 [0,1,0,0,0,0|1,0,1]=3 886 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_202125556159_100000070051 [0,1,0,0,0,0|1,0,1]=3 887 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,1,0,0,0,0|3,0,0]=4 888 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,1,0,0,0,0|3,0,0]=4 889 B14R1.903 CCCCNc1ccccc1C(=O)N 34a_100000185089_100000210210 [0,1,0,0,0,0|3,0,0]=4 890 B14R1.903 CCCCOc1ccccc1C(=O)C 1458a_100000215687_200000210301 [0,1,0,0,0,0|2,1,0]=4 891 B14R1.903 CCCCOc1ccccc1C(=O)N 34a_100000192804_100000210210 [0,1,0,0,0,0|2,1,0]=4 892 B14R1.903 CCCCOc1ccccc1C(=O)N 7a_100000192804_100000210211 [0,1,0,0,0,0|2,1,0]=4 893 B14R1.903 CCCCOc1ccccc1C(=O)[13CH3] 1458a_100000215687_200025704644 [0,1,0,0,0,0|2,1,0]=4 894 B14R1.903 CCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210211 [0,1,0,0,0,0|1,1,1]=4 895 B14R1.903 CCCCSc1ccccc1B(O)O 62a_100000210211_100000693059 [0,1,0,0,0,0|2,0,1]=4 896 B14R1.903 CCCCSc1ccccc1B(O)O 62a_100000693059_100000210210 [0,1,0,0,0,0|2,0,1]=4 897 B14R1.903 CCCCSc1ccccc1C(=O)C 1458a_200000217314_200000210301 [0,1,0,0,0,0|2,0,0]=3 898 B14R1.903 CCCCSc1ccccc1C(=O)C 62a_100000751169_100000210210 [0,1,0,0,0,0|2,0,0]=3 899 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000162227_100000210210 [0,1,0,0,0,0|2,0,0]=3 900 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000210211_100000162227 [0,1,0,0,0,0|2,0,0]=3 901 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [0,1,0,0,0,0|1,0,0]=2 902 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [0,1,0,0,0,0|1,0,0]=2 903 B14R1.903 CCCCSc1ccccc1C(=O)[13CH3] 1458a_200000217314_200025704644 [0,1,0,0,0,0|2,0,0]=3 904 B14R1.903 CCCCSc1ccccc1C(C)O 62a_100000210211_100000702211 [0,1,0,0,0,0|2,0,1]=4 905 B14R1.903 CCCCSc1ccccc1C(C)O 62a_100000702211_100000210210 [0,1,0,0,0,0|2,0,1]=4 906 B14R1.903 CCCCSc1ccccc1S(=O)C 62a_100000734199_100000210210 [0,1,0,0,0,0|3,0,0]=4 907 B14R1.903 CCCCSc1cccnc1C(=O)C 62a_100000210211_100012348690 [0,1,0,0,0,0|3,0,0]=4 908 B14R1.903 CCCCSc1cccnc1C(=O)C 62a_100012348690_100000210210 [0,1,0,0,0,0|3,0,0]=4 909 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_100000210211_200012359670 [0,1,0,0,0,0|3,0,0]=4 910 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_200012359670_100000210210 [0,1,0,0,0,0|3,0,0]=4 911 B14R1.903 CCCCSc1ccncc1C(=O)C 62a_100000210211_100160469449 [0,1,0,0,0,0|3,0,0]=4 912 B14R1.903 CCCCSc1ccncc1C(=O)C 62a_100160469449_100000210210 [0,1,0,0,0,0|3,0,0]=4 913 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000210211_100000697804 [0,1,0,0,0,0|3,0,0]=4 914 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000697804_100000210210 [0,1,0,0,0,0|3,0,0]=4 915 B14R1.903 CCCCSc1cnccc1C(=O)C 62a_100000210211_100009993184 [0,1,0,0,0,0|3,0,0]=4 916 B14R1.903 CCCCSc1cnccc1C(=O)C 62a_100009993184_100000210210 [0,1,0,0,0,0|3,0,0]=4 917 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100000210211_100010205435 [0,1,0,0,0,0|3,0,0]=4 918 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100010205435_100000210210 [0,1,0,0,0,0|3,0,0]=4 919 B14R1.903 CCCCSc1ncccc1C(=O)C 62a_100000210211_100000753718 [0,1,0,0,0,0|3,0,0]=4 920 B14R1.903 CCCCSc1ncccc1C(=O)C 62a_100000753718_100000210210 [0,1,0,0,0,0|3,0,0]=4 921 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000162199_100000210210 [0,1,0,0,0,0|3,0,0]=4 922 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000210211_100000162199 [0,1,0,0,0,0|3,0,0]=4 923 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [0,1,0,0,0,0|2,0,0]=3 924 B14R1.903 CCCSCc1ccccc1B(O)O 62a_100000210303_100009814197 [0,1,0,0,0,0|2,0,1]=4 925 B14R1.903 CCCSCc1ccccc1B(O)O 62a_100009814197_100000210303 [0,1,0,0,0,0|2,0,1]=4 926 B14R1.903 CCCSCc1ccccc1[N+](=O)[O-] 62a_100000210303_100000181388 [0,1,0,0,0,0|2,0,1]=4 927 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [0,1,0,0,0,0|3,0,0]=4 928 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [0,1,0,0,0,0|3,0,0]=4 929 B14R1.903 CCOCSc1ccccc1B(O)O 62a_100000693059_100000739092 [0,1,0,0,0,0|2,0,1]=4 930 B14R1.903 CCOCSc1ccccc1B(O)O 62a_100000739092_100000693059 [0,1,0,0,0,0|2,0,1]=4 931 B14R1.903 CCOCSc1ccccc1C(=O)C 62a_100000751169_100000739092 [0,1,0,0,0,0|2,0,0]=3 932 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000162227_100000739092 [0,1,0,0,0,0|2,0,0]=3 933 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000739092_100000162227 [0,1,0,0,0,0|2,0,0]=3 934 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [0,1,0,0,0,0|1,0,0]=2 935 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [0,1,0,0,0,0|1,0,0]=2 936 B14R1.903 CCOCSc1ccccc1C(C)O 62a_100000702211_100000739092 [0,1,0,0,0,0|2,0,1]=4 937 B14R1.903 CCOCSc1ccccc1C(C)O 62a_100000739092_100000702211 [0,1,0,0,0,0|2,0,1]=4 938 B14R1.903 CCOCSc1ccccc1S(=O)C 62a_100000734199_100000739092 [0,1,0,0,0,0|3,0,0]=4 939 B14R1.903 CCOCSc1cccnc1C(=O)C 62a_100000739092_100012348690 [0,1,0,0,0,0|3,0,0]=4 940 B14R1.903 CCOCSc1cccnc1C(=O)C 62a_100012348690_100000739092 [0,1,0,0,0,0|3,0,0]=4 941 B14R1.903 CCOCSc1cccnc1C(=O)N 62a_100000739092_200012359670 [0,1,0,0,0,0|3,0,0]=4 942 B14R1.903 CCOCSc1cccnc1C(=O)N 62a_200012359670_100000739092 [0,1,0,0,0,0|3,0,0]=4 943 B14R1.903 CCOCSc1ccncc1C(=O)C 62a_100000739092_100160469449 [0,1,0,0,0,0|3,0,0]=4 944 B14R1.903 CCOCSc1ccncc1C(=O)C 62a_100160469449_100000739092 [0,1,0,0,0,0|3,0,0]=4 945 B14R1.903 CCOCSc1ccncc1C(=O)N 62a_100000697804_100000739092 [0,1,0,0,0,0|3,0,0]=4 946 B14R1.903 CCOCSc1ccncc1C(=O)N 62a_100000739092_100000697804 [0,1,0,0,0,0|3,0,0]=4 947 B14R1.903 CCOCSc1cnccc1C(=O)C 62a_100000739092_100009993184 [0,1,0,0,0,0|3,0,0]=4 948 B14R1.903 CCOCSc1cnccc1C(=O)C 62a_100009993184_100000739092 [0,1,0,0,0,0|3,0,0]=4 949 B14R1.903 CCOCSc1cnccc1C(=O)N 62a_100000739092_100010205435 [0,1,0,0,0,0|3,0,0]=4 950 B14R1.903 CCOCSc1cnccc1C(=O)N 62a_100010205435_100000739092 [0,1,0,0,0,0|3,0,0]=4 951 B14R1.903 CCOCSc1ncccc1C(=O)C 62a_100000739092_100000753718 [0,1,0,0,0,0|3,0,0]=4 952 B14R1.903 CCOCSc1ncccc1C(=O)C 62a_100000753718_100000739092 [0,1,0,0,0,0|3,0,0]=4 953 B14R1.903 CCOCSc1ncccc1C(=O)N 62a_100000162199_100000739092 [0,1,0,0,0,0|3,0,0]=4 954 B14R1.903 CCOCSc1ncccc1C(=O)N 62a_100000739092_100000162199 [0,1,0,0,0,0|3,0,0]=4 955 B14R1.903 CNCCOc1ccccc1C(=O)C 2230a_106832991635_100000184561 [0,1,0,0,0,0|2,1,0]=4 956 B14R1.903 CNCCOc1ccccc1C(=O)C 34a_100102657272_100000184561 [0,1,0,0,0,0|2,1,0]=4 957 B14R1.903 CNCCOc1ccccc1C(=O)C 7a_106832991635_100000184561 [0,1,0,0,0,0|2,1,0]=4 958 B14R1.903 COCC=Cc1ccccc1C(=O)C 271570a_100016286323_100000751169 [0,1,0,0,0,0|3,0,0]=4 959 B14R1.903 COCC=Cc1ccccc1C(=O)N 271570a_100016286323_100000162227 [0,1,0,0,0,0|3,0,0]=4 960 B14R1.903 COCCNc1ccccc1C(=O)N 34a_100000185089_100011201679 [0,1,0,0,0,0|3,0,0]=4 961 B14R1.903 COCCOc1ccccc1C(=O)C 1458a_100000244650_200000210301 [0,1,0,0,0,0|2,1,0]=4 962 B14R1.903 COCCOc1ccccc1C(=O)C 34a_100138415774_100000184561 [0,1,0,0,0,0|2,1,0]=4 963 B14R1.903 COCCOc1ccccc1C(=O)N 34a_100000192804_100011201679 [0,1,0,0,0,0|2,1,0]=4 964 B14R1.903 COCCOc1ccccc1C(=O)N 7a_100000192804_100000233755 [0,1,0,0,0,0|2,1,0]=4 965 B14R1.903 COCCOc1ccccc1C(=O)[13CH3] 1458a_100000244650_200025704644 [0,1,0,0,0,0|2,1,0]=4 966 B14R1.903 COCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000233755 [0,1,0,0,0,0|1,1,1]=4 967 B14R1.903 COCCSc1ccccc1B(O)O 62a_100000233755_100000693059 [0,1,0,0,0,0|2,0,1]=4 968 B14R1.903 COCCSc1ccccc1B(O)O 62a_100000693059_100000233755 [0,1,0,0,0,0|2,0,1]=4 969 B14R1.903 COCCSc1ccccc1C(=O)C 62a_100000751169_100000233755 [0,1,0,0,0,0|2,0,0]=3 970 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000162227_100000233755 [0,1,0,0,0,0|2,0,0]=3 971 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000233755_100000162227 [0,1,0,0,0,0|2,0,0]=3 972 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [0,1,0,0,0,0|1,0,0]=2 973 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [0,1,0,0,0,0|1,0,0]=2 974 B14R1.903 COCCSc1ccccc1C(C)O 62a_100000233755_100000702211 [0,1,0,0,0,0|2,0,1]=4 975 B14R1.903 COCCSc1ccccc1C(C)O 62a_100000702211_100000233755 [0,1,0,0,0,0|2,0,1]=4 976 B14R1.903 COCCSc1ccccc1S(=O)C 62a_100000734199_100000233755 [0,1,0,0,0,0|3,0,0]=4 977 B14R1.903 COCCSc1cccnc1C(=O)C 62a_100000233755_100012348690 [0,1,0,0,0,0|3,0,0]=4 978 B14R1.903 COCCSc1cccnc1C(=O)C 62a_100012348690_100000233755 [0,1,0,0,0,0|3,0,0]=4 979 B14R1.903 COCCSc1cccnc1C(=O)N 62a_100000233755_200012359670 [0,1,0,0,0,0|3,0,0]=4 980 B14R1.903 COCCSc1cccnc1C(=O)N 62a_200012359670_100000233755 [0,1,0,0,0,0|3,0,0]=4 981 B14R1.903 COCCSc1ccncc1C(=O)C 62a_100000233755_100160469449 [0,1,0,0,0,0|3,0,0]=4 982 B14R1.903 COCCSc1ccncc1C(=O)C 62a_100160469449_100000233755 [0,1,0,0,0,0|3,0,0]=4 983 B14R1.903 COCCSc1ccncc1C(=O)N 62a_100000233755_100000697804 [0,1,0,0,0,0|3,0,0]=4 984 B14R1.903 COCCSc1ccncc1C(=O)N 62a_100000697804_100000233755 [0,1,0,0,0,0|3,0,0]=4 985 B14R1.903 COCCSc1cnccc1C(=O)C 62a_100000233755_100009993184 [0,1,0,0,0,0|3,0,0]=4 986 B14R1.903 COCCSc1cnccc1C(=O)C 62a_100009993184_100000233755 [0,1,0,0,0,0|3,0,0]=4 987 B14R1.903 COCCSc1cnccc1C(=O)N 62a_100000233755_100010205435 [0,1,0,0,0,0|3,0,0]=4 988 B14R1.903 COCCSc1cnccc1C(=O)N 62a_100010205435_100000233755 [0,1,0,0,0,0|3,0,0]=4 989 B14R1.903 COCCSc1ncccc1C(=O)C 62a_100000233755_100000753718 [0,1,0,0,0,0|3,0,0]=4 990 B14R1.903 COCCSc1ncccc1C(=O)C 62a_100000753718_100000233755 [0,1,0,0,0,0|3,0,0]=4 991 B14R1.903 COCCSc1ncccc1C(=O)N 62a_100000162199_100000233755 [0,1,0,0,0,0|3,0,0]=4 992 B14R1.903 COCCSc1ncccc1C(=O)N 62a_100000233755_100000162199 [0,1,0,0,0,0|3,0,0]=4 993 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [0,1,0,0,0,0|2,0,0]=3 994 B14R1.903 CS(=O)c1ccccc1SCCCF 62a_100000734199_100011934791 [0,1,0,0,0,0|3,0,0]=4 995 B14R1.903 CS(=O)c1ccccc1SCCCO 62a_100000734199_100011215043 [0,1,0,0,0,0|3,0,0]=4 996 B14R1.903 CSCCNc1ccccc1C(=O)N 34a_100000185089_100000212216 [0,1,0,0,0,0|3,0,0]=4 997 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_100000184561_200000210301 [0,1,0,0,0,0|2,1,0]=4 998 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_200000210301_100000184561 [0,1,0,0,0,0|2,1,0]=4 999 B14R1.903 CSCCOc1ccccc1C(=O)N 34a_100000192804_100000212216 [0,1,0,0,0,0|2,1,0]=4 1000 B14R1.903 CSCCOc1ccccc1C(=O)N 7a_100000192804_100000212216 [0,1,0,0,0,0|2,1,0]=4 1001 B14R1.903 CSCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000212216 [0,1,0,0,0,0|1,1,1]=4 1002 B14R1.903 CSCCSc1ccccc1B(O)O 62a_100000212216_100000693059 [0,1,0,0,0,0|2,0,1]=4 1003 B14R1.903 CSCCSc1ccccc1B(O)O 62a_100000693059_100000751147 [0,1,0,0,0,0|2,0,1]=4 1004 B14R1.903 CSCCSc1ccccc1C(=O)C 62a_100000751169_100000751147 [0,1,0,0,0,0|2,0,0]=3 1005 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000162227_100000751147 [0,1,0,0,0,0|2,0,0]=3 1006 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000212216_100000162227 [0,1,0,0,0,0|2,0,0]=3 1007 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [0,1,0,0,0,0|1,0,0]=2 1008 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [0,1,0,0,0,0|1,0,0]=2 1009 B14R1.903 CSCCSc1ccccc1C(C)O 62a_100000212216_100000702211 [0,1,0,0,0,0|2,0,1]=4 1010 B14R1.903 CSCCSc1ccccc1C(C)O 62a_100000702211_100000751147 [0,1,0,0,0,0|2,0,1]=4 1011 B14R1.903 CSCCSc1ccccc1S(=O)C 62a_100000734199_100000751147 [0,1,0,0,0,0|3,0,0]=4 1012 B14R1.903 CSCCSc1cccnc1C(=O)C 62a_100000212216_100012348690 [0,1,0,0,0,0|3,0,0]=4 1013 B14R1.903 CSCCSc1cccnc1C(=O)C 62a_100012348690_100000751147 [0,1,0,0,0,0|3,0,0]=4 1014 B14R1.903 CSCCSc1cccnc1C(=O)N 62a_100000212216_200012359670 [0,1,0,0,0,0|3,0,0]=4 1015 B14R1.903 CSCCSc1cccnc1C(=O)N 62a_200012359670_100000751147 [0,1,0,0,0,0|3,0,0]=4 1016 B14R1.903 CSCCSc1ccncc1C(=O)C 62a_100000212216_100160469449 [0,1,0,0,0,0|3,0,0]=4 1017 B14R1.903 CSCCSc1ccncc1C(=O)C 62a_100160469449_100000751147 [0,1,0,0,0,0|3,0,0]=4 1018 B14R1.903 CSCCSc1ccncc1C(=O)N 62a_100000212216_100000697804 [0,1,0,0,0,0|3,0,0]=4 1019 B14R1.903 CSCCSc1ccncc1C(=O)N 62a_100000697804_100000751147 [0,1,0,0,0,0|3,0,0]=4 1020 B14R1.903 CSCCSc1cnccc1C(=O)C 62a_100000212216_100009993184 [0,1,0,0,0,0|3,0,0]=4 1021 B14R1.903 CSCCSc1cnccc1C(=O)C 62a_100009993184_100000751147 [0,1,0,0,0,0|3,0,0]=4 1022 B14R1.903 CSCCSc1cnccc1C(=O)N 62a_100000212216_100010205435 [0,1,0,0,0,0|3,0,0]=4 1023 B14R1.903 CSCCSc1cnccc1C(=O)N 62a_100010205435_100000751147 [0,1,0,0,0,0|3,0,0]=4 1024 B14R1.903 CSCCSc1ncccc1C(=O)C 62a_100000212216_100000753718 [0,1,0,0,0,0|3,0,0]=4 1025 B14R1.903 CSCCSc1ncccc1C(=O)C 62a_100000753718_100000751147 [0,1,0,0,0,0|3,0,0]=4 1026 B14R1.903 CSCCSc1ncccc1C(=O)N 62a_100000162199_100000751147 [0,1,0,0,0,0|3,0,0]=4 1027 B14R1.903 CSCCSc1ncccc1C(=O)N 62a_100000212216_100000162199 [0,1,0,0,0,0|3,0,0]=4 1028 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [0,1,0,0,0,0|2,0,0]=3 1029 B14R1.903 N#CCCSc1ccccc1C(=O)N 62a_100000162227_100011215226 [0,1,0,0,0,0|2,0,1]=4 1030 B14R1.903 N#CCCSc1ccccc1C(=O)N 62a_100011215226_100000162227 [0,1,0,0,0,0|2,0,1]=4 1031 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_100011215226_100000734275 [0,1,0,0,0,0|1,0,1]=3 1032 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_202125556159_100011215226 [0,1,0,0,0,0|1,0,1]=3 1033 B14R1.903 N#CCNCc1ccccc1C(=O)O 269956a_100015183376_100011215382 [0,1,0,0,0,0|2,0,1]=4 1034 B14R1.903 N#CSCSc1ccccc1C(=O)O 62a_100000211825_100000734275 [0,1,0,0,0,0|2,0,1]=4 1035 B14R1.903 N#CSCSc1ccccc1C(=O)O 62a_202125556159_100000211825 [0,1,0,0,0,0|2,0,1]=4 1036 B14R1.903 NC(=O)c1ccccc1NCCCF 34a_100000185089_100011934791 [0,1,0,0,0,0|3,0,0]=4 1037 B14R1.903 NC(=O)c1ccccc1NCCCO 34a_100000185089_100000230001 [0,1,0,0,0,0|3,0,0]=4 1038 B14R1.903 NC(=O)c1ccccc1OCCCF 34a_100000192804_100011934791 [0,1,0,0,0,0|2,1,0]=4 1039 B14R1.903 NC(=O)c1ccccc1OCCCF 7a_100000192804_100011934791 [0,1,0,0,0,0|2,1,0]=4 1040 B14R1.903 NC(=O)c1ccccc1OCCCO 34a_100000192804_100000230001 [0,1,0,0,0,0|2,1,0]=4 1041 B14R1.903 NC(=O)c1ccccc1OCCCO 7a_100000192804_100011215043 [0,1,0,0,0,0|2,1,0]=4 1042 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100000162227_100011934791 [0,1,0,0,0,0|2,0,0]=3 1043 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100011934791_100000162227 [0,1,0,0,0,0|2,0,0]=3 1044 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100000162227_100011215043 [0,1,0,0,0,0|2,0,0]=3 1045 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100011215043_100000162227 [0,1,0,0,0,0|2,0,0]=3 1046 B14R1.903 NC(=O)c1cccnc1SCCCF 62a_100000162199_100011934791 [0,1,0,0,0,0|3,0,0]=4 1047 B14R1.903 NC(=O)c1cccnc1SCCCF 62a_100011934791_100000162199 [0,1,0,0,0,0|3,0,0]=4 1048 B14R1.903 NC(=O)c1cccnc1SCCCO 62a_100000162199_100011215043 [0,1,0,0,0,0|3,0,0]=4 1049 B14R1.903 NC(=O)c1cccnc1SCCCO 62a_100011215043_100000162199 [0,1,0,0,0,0|3,0,0]=4 1050 B14R1.903 NC(=O)c1ccncc1SCCCF 62a_100010205435_100011934791 [0,1,0,0,0,0|3,0,0]=4 1051 B14R1.903 NC(=O)c1ccncc1SCCCF 62a_100011934791_100010205435 [0,1,0,0,0,0|3,0,0]=4 1052 B14R1.903 NC(=O)c1ccncc1SCCCO 62a_100010205435_100011215043 [0,1,0,0,0,0|3,0,0]=4 1053 B14R1.903 NC(=O)c1ccncc1SCCCO 62a_100011215043_100010205435 [0,1,0,0,0,0|3,0,0]=4 1054 B14R1.903 NC(=O)c1cnccc1SCCCF 62a_100000697804_100011934791 [0,1,0,0,0,0|3,0,0]=4 1055 B14R1.903 NC(=O)c1cnccc1SCCCF 62a_100011934791_100000697804 [0,1,0,0,0,0|3,0,0]=4 1056 B14R1.903 NC(=O)c1cnccc1SCCCO 62a_100000697804_100011215043 [0,1,0,0,0,0|3,0,0]=4 1057 B14R1.903 NC(=O)c1cnccc1SCCCO 62a_100011215043_100000697804 [0,1,0,0,0,0|3,0,0]=4 1058 B14R1.903 NC(=O)c1ncccc1SCCCF 62a_100011934791_200012359670 [0,1,0,0,0,0|3,0,0]=4 1059 B14R1.903 NC(=O)c1ncccc1SCCCF 62a_200012359670_100011934791 [0,1,0,0,0,0|3,0,0]=4 1060 B14R1.903 NC(=O)c1ncccc1SCCCO 62a_100011215043_200012359670 [0,1,0,0,0,0|3,0,0]=4 1061 B14R1.903 NC(=O)c1ncccc1SCCCO 62a_200012359670_100011215043 [0,1,0,0,0,0|3,0,0]=4 1062 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [0,1,0,0,0,0|2,0,0]=3 1063 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [0,1,0,0,0,0|2,0,0]=3 1064 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [0,1,0,0,0,0|1,0,0]=2 1065 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [0,1,0,0,0,0|1,0,0]=2 1066 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [0,1,0,0,0,0|1,0,0]=2 1067 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [0,1,0,0,0,0|1,0,0]=2 1068 B14R1.903 O=C([O-])c1ccccc1OCCCF 7a_100015234032_100011934791 [0,1,0,0,0,0|1,1,1]=4 1069 B14R1.903 O=C([O-])c1ccccc1OCCCO 7a_100015234032_100011215043 [0,1,0,0,0,0|1,1,1]=4 1070 B14R1.903 O=CCNCc1ccccc1C(=O)O 269956a_100015183376_200015260668 [0,1,0,0,0,0|2,0,1]=4 1071 B14R1.903 OB(O)c1ccccc1SCCCF 62a_100000693059_100011934791 [0,1,0,0,0,0|2,0,1]=4 1072 B14R1.903 OB(O)c1ccccc1SCCCF 62a_100011934791_100000693059 [0,1,0,0,0,0|2,0,1]=4 1073 B14R1.903 OCCCSc1ccccc1B(O)O 62a_100000693059_100011215043 [0,1,0,0,0,0|2,0,1]=4 1074 B14R1.903 OCCCSc1ccccc1B(O)O 62a_100011215043_100000693059 [0,1,0,0,0,0|2,0,1]=4 1075 B14R1.3302 C#CC(C)Sc1ccccc1C(=O)O 62a_200000035995_100000734275 [0,1,0,0,0,0|1,0,2]=4 1076 B14R1.3302 C=CC(C)Sc1ccccc1C(=O)O 62a_100011215867_100000734275 [0,1,0,0,0,0|1,0,2]=4 1077 B14R1.3302 CC(=O)c1ccccc1S[C@H](C)CO 62a_100000751169_100016084084 [0,1,0,0,0,0|3,0,0]=4 1078 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_100000703298_100000734275 [0,1,0,0,0,0|2,0,1]=4 1079 B14R1.3302 CC(C#N)Sc1ccccc1C(=O)O 62a_202125556159_100000703298 [0,1,0,0,0,0|2,0,1]=4 1080 B14R1.3302 CC(CO)Sc1ccccc1C(=O)N 62a_100012180447_100000162227 [0,1,0,0,0,0|3,0,0]=4 1081 B14R1.3302 CC(CO)Sc1ccccc1C(=O)O 62a_100012180447_100000734275 [0,1,0,0,0,0|2,0,0]=3 1082 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,1,0,0,0,0|3,0,0]=4 1083 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [0,1,0,0,0,0|3,0,0]=4 1084 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [0,1,0,0,0,0|3,0,0]=4 1085 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [0,1,0,0,0,0|3,0,0]=4 1086 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,1,0,0,0,0|3,0,0]=4 1087 B14R1.3302 CCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100011215416 [0,1,0,0,0,0|3,0,0]=4 1088 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100011215416 [0,1,0,0,0,0|2,1,0]=4 1089 B14R1.3302 CCC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000758301 [0,1,0,0,0,0|2,1,0]=4 1090 B14R1.3302 CCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000758301 [0,1,0,0,0,0|1,1,1]=4 1091 B14R1.3302 CCC(C)Sc1ccccc1B(O)O 62a_100000693059_100000758301 [0,1,0,0,0,0|2,0,1]=4 1092 B14R1.3302 CCC(C)Sc1ccccc1B(O)O 62a_100000758301_100000693059 [0,1,0,0,0,0|2,0,1]=4 1093 B14R1.3302 CCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000758301 [0,1,0,0,0,0|2,0,0]=3 1094 B14R1.3302 CCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000758301 [0,1,0,0,0,0|2,0,0]=3 1095 B14R1.3302 CCC(C)Sc1ccccc1C(=O)N 62a_100000758301_100000162227 [0,1,0,0,0,0|2,0,0]=3 1096 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_100000758301_100000734275 [0,1,0,0,0,0|1,0,0]=2 1097 B14R1.3302 CCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000758301 [0,1,0,0,0,0|1,0,0]=2 1098 B14R1.3302 CCC(C)Sc1ccccc1C(C)O 62a_100000702211_100000758301 [0,1,0,0,0,0|2,0,1]=4 1099 B14R1.3302 CCC(C)Sc1ccccc1C(C)O 62a_100000758301_100000702211 [0,1,0,0,0,0|2,0,1]=4 1100 B14R1.3302 CCC(C)Sc1ccccc1S(=O)C 62a_100000734199_100000758301 [0,1,0,0,0,0|3,0,0]=4 1101 B14R1.3302 CCC(C)Sc1cccnc1C(=O)C 62a_100000758301_100012348690 [0,1,0,0,0,0|3,0,0]=4 1102 B14R1.3302 CCC(C)Sc1cccnc1C(=O)C 62a_100012348690_100000758301 [0,1,0,0,0,0|3,0,0]=4 1103 B14R1.3302 CCC(C)Sc1cccnc1C(=O)N 62a_100000758301_200012359670 [0,1,0,0,0,0|3,0,0]=4 1104 B14R1.3302 CCC(C)Sc1cccnc1C(=O)N 62a_200012359670_100000758301 [0,1,0,0,0,0|3,0,0]=4 1105 B14R1.3302 CCC(C)Sc1ccncc1C(=O)C 62a_100000758301_100160469449 [0,1,0,0,0,0|3,0,0]=4 1106 B14R1.3302 CCC(C)Sc1ccncc1C(=O)C 62a_100160469449_100000758301 [0,1,0,0,0,0|3,0,0]=4 1107 B14R1.3302 CCC(C)Sc1ccncc1C(=O)N 62a_100000697804_100000758301 [0,1,0,0,0,0|3,0,0]=4 1108 B14R1.3302 CCC(C)Sc1ccncc1C(=O)N 62a_100000758301_100000697804 [0,1,0,0,0,0|3,0,0]=4 1109 B14R1.3302 CCC(C)Sc1cnccc1C(=O)C 62a_100000758301_100009993184 [0,1,0,0,0,0|3,0,0]=4 1110 B14R1.3302 CCC(C)Sc1cnccc1C(=O)C 62a_100009993184_100000758301 [0,1,0,0,0,0|3,0,0]=4 1111 B14R1.3302 CCC(C)Sc1cnccc1C(=O)N 62a_100000758301_100010205435 [0,1,0,0,0,0|3,0,0]=4 1112 B14R1.3302 CCC(C)Sc1cnccc1C(=O)N 62a_100010205435_100000758301 [0,1,0,0,0,0|3,0,0]=4 1113 B14R1.3302 CCC(C)Sc1ncccc1C(=O)C 62a_100000753718_100000758301 [0,1,0,0,0,0|3,0,0]=4 1114 B14R1.3302 CCC(C)Sc1ncccc1C(=O)C 62a_100000758301_100000753718 [0,1,0,0,0,0|3,0,0]=4 1115 B14R1.3302 CCC(C)Sc1ncccc1C(=O)N 62a_100000162199_100000758301 [0,1,0,0,0,0|3,0,0]=4 1116 B14R1.3302 CCC(C)Sc1ncccc1C(=O)N 62a_100000758301_100000162199 [0,1,0,0,0,0|3,0,0]=4 1117 B14R1.3302 COC(C)Sc1ccccc1C(=O)C 62a_100000751169_100009879195 [0,1,0,0,0,0|3,0,0]=4 1118 B14R1.3302 COC(C)Sc1ccccc1C(=O)N 62a_100000162227_100009879195 [0,1,0,0,0,0|3,0,0]=4 1119 B14R1.3302 COC(C)Sc1ccccc1C(=O)N 62a_100009879195_100000162227 [0,1,0,0,0,0|3,0,0]=4 1120 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_100009879195_100000734275 [0,1,0,0,0,0|2,0,0]=3 1121 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_202125556159_100009879195 [0,1,0,0,0,0|2,0,0]=3 1122 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)N 62a_100000162227_100016084084 [0,1,0,0,0,0|3,0,0]=4 1123 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)N 62a_100016084084_100000162227 [0,1,0,0,0,0|3,0,0]=4 1124 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_100016084084_100000734275 [0,1,0,0,0,0|2,0,0]=3 1125 B14R1.3302 C[C@H](CO)Sc1ccccc1C(=O)O 62a_202125556159_100016084084 [0,1,0,0,0,0|2,0,0]=3 1126 B14R1.3302 N#CC(F)Sc1ccccc1C(=O)O 62a_200000117898_100000734275 [0,1,0,0,0,0|2,0,1]=4 1127 B14R1.3302 N#CC(F)Sc1ccccc1C(=O)O 62a_202125556159_200000117898 [0,1,0,0,0,0|2,0,1]=4 1128 B14R1.4432 CC(=O)c1c(cccc1SCCF)F 62a_100012351873_100011217306 [0,1,0,0,0,0|3,0,0]=4 1129 B14R1.4432 CC(=O)c1c(cccc1SCCO)F 62a_100012351873_100000211926 [0,1,0,0,0,0|3,0,0]=4 1130 B14R1.4432 CCCCc1cccc(c1C(=O)C)F 271570a_100020621405_100012351873 [0,1,0,0,0,0|3,0,0]=4 1131 B14R1.4432 CCCCc1cccc(c1C(=O)C)O 271570a_100020621405_100010174959 [0,1,0,0,0,0|3,0,0]=4 1132 B14R1.4432 CCCCc1cccc(c1C(=O)N)Cl 271570a_100020621405_100010147686 [0,1,0,0,0,0|3,0,0]=4 1133 B14R1.4432 CCCCc1cccc(c1C(=O)N)F 271570a_100020621405_100011219063 [0,1,0,0,0,0|3,0,0]=4 1134 B14R1.4432 CCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210303 [0,1,0,0,0,0|3,0,0]=4 1135 B14R1.4432 CCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210303 [0,1,0,0,0,0|3,0,0]=4 1136 B14R1.4432 CCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210303 [0,1,0,0,0,0|3,0,0]=4 1137 B14R1.4432 CCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210303 [0,1,0,0,0,0|3,0,0]=4 1138 B14R1.4432 CCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210303 [0,1,0,0,0,0|3,0,0]=4 1139 B14R1.4432 CCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210303 [0,1,0,0,0,0|3,0,0]=4 1140 B14R1.4432 CCCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210303 [0,1,0,0,0,0|2,1,0]=4 1141 B14R1.4432 CCCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210303 [0,1,0,0,0,0|2,1,0]=4 1142 B14R1.4432 CCCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210303 [0,1,0,0,0,0|2,1,0]=4 1143 B14R1.4432 CCCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210303 [0,1,0,0,0,0|2,1,0]=4 1144 B14R1.4432 CCCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210303 [0,1,0,0,0,0|2,1,0]=4 1145 B14R1.4432 CCCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210303 [0,1,0,0,0,0|2,1,0]=4 1146 B14R1.4432 CCCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210303 [0,1,0,0,0,0|2,1,0]=4 1147 B14R1.4432 CCCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210303 [0,1,0,0,0,0|2,1,0]=4 1148 B14R1.4432 CCCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210303 [0,1,0,0,0,0|2,1,0]=4 1149 B14R1.4432 CCCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210303 [0,1,0,0,0,0|2,1,0]=4 1150 B14R1.4432 CCCSc1cccc(c1B(O)O)F 62a_100000210303_100009814739 [0,1,0,0,0,0|2,0,1]=4 1151 B14R1.4432 CCCSc1cccc(c1B(O)O)F 62a_100009814739_100000210303 [0,1,0,0,0,0|2,0,1]=4 1152 B14R1.4432 CCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210303 [0,1,0,0,0,0|2,0,0]=3 1153 B14R1.4432 CCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210303 [0,1,0,0,0,0|2,0,0]=3 1154 B14R1.4432 CCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210303 [0,1,0,0,0,0|2,0,0]=3 1155 B14R1.4432 CCCSc1cccc(c1C(C)O)F 62a_100000210303_100013085324 [0,1,0,0,0,0|2,0,1]=4 1156 B14R1.4432 CCCSc1cccc(c1C(C)O)F 62a_100013085324_100000210303 [0,1,0,0,0,0|2,0,1]=4 1157 B14R1.4432 CCCSc1cncc(c1C(=O)N)F 62a_100000210303_100010271514 [0,1,0,0,0,0|3,0,0]=4 1158 B14R1.4432 CCCSc1cncc(c1C(=O)N)F 62a_100010271514_100000210303 [0,1,0,0,0,0|3,0,0]=4 1159 B14R1.4432 CCCSc1nccc(c1C(=O)C)N 62a_100000210303_200010729368 [0,1,0,0,0,0|3,0,0]=4 1160 B14R1.4432 CCCSc1nccc(c1C(=O)C)N 62a_200010729368_100000210303 [0,1,0,0,0,0|3,0,0]=4 1161 B14R1.4432 COCSc1cccc(c1C(=O)C)F 62a_100012351873_100000766300 [0,1,0,0,0,0|3,0,0]=4 1162 B14R1.4432 COCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000766300 [0,1,0,0,0,0|3,0,0]=4 1163 B14R1.4432 COCSc1cccc(c1C(=O)N)F 62a_100011219063_100000766300 [0,1,0,0,0,0|3,0,0]=4 1164 B14R1.4432 CSCSc1cccc(c1C(=O)C)F 62a_100012351873_100011218213 [0,1,0,0,0,0|3,0,0]=4 1165 B14R1.4432 CSCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100011218213 [0,1,0,0,0,0|3,0,0]=4 1166 B14R1.4432 CSCSc1cccc(c1C(=O)N)F 62a_100011219063_100011218213 [0,1,0,0,0,0|3,0,0]=4 1167 B14R1.4432 NC(=O)c1c(cccc1SCCF)Cl 62a_100010147686_100011217306 [0,1,0,0,0,0|3,0,0]=4 1168 B14R1.4432 NC(=O)c1c(cccc1SCCF)F 62a_100011219063_100011217306 [0,1,0,0,0,0|3,0,0]=4 1169 B14R1.4432 NC(=O)c1c(cccc1SCCO)Cl 62a_100010147686_100000211926 [0,1,0,0,0,0|3,0,0]=4 1170 B14R1.4432 NC(=O)c1c(cccc1SCCO)F 62a_100011219063_100000211926 [0,1,0,0,0,0|3,0,0]=4 1171 B14R1.4522 C=C(C)CSc1ccccc1C(=O)C 62a_100000751169_100000211660 [0,1,0,0,0,0|2,0,1]=4 1172 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000162227_100000211660 [0,1,0,0,0,0|2,0,1]=4 1173 B14R1.4522 C=C(C)CSc1ccccc1C(=O)N 62a_100000748629_100000162227 [0,1,0,0,0,0|2,0,1]=4 1174 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_100000748629_100000734275 [0,1,0,0,0,0|1,0,1]=3 1175 B14R1.4522 C=C(C)CSc1ccccc1C(=O)O 62a_202125556159_100000211660 [0,1,0,0,0,0|1,0,1]=3 1176 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_100000042424_100000734275 [0,1,0,0,0,0|1,0,2]=4 1177 B14R1.4522 C=C(F)CSc1ccccc1C(=O)O 62a_202125556159_100000042424 [0,1,0,0,0,0|1,0,2]=4 1178 B14R1.4522 CC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000751169 [0,1,0,0,0,0|3,0,0]=4 1179 B14R1.4522 CC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000751169 [0,1,0,0,0,0|3,0,0]=4 1180 B14R1.4522 CC(=O)c1ccccc1SCC(C)C 1458a_200000217235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1181 B14R1.4522 CC(=O)c1ccccc1SCC(C)C 62a_100000751169_100000210760 [0,1,0,0,0,0|2,0,0]=3 1182 B14R1.4522 CC(=O)c1ccccc1SCC(C)O 62a_100000751169_100011218427 [0,1,0,0,0,0|2,0,0]=3 1183 B14R1.4522 CC(=O)c1ccccc1SCC(F)F 62a_100000751169_100011934356 [0,1,0,0,0,0|3,0,0]=4 1184 B14R1.4522 CC(=O)c1ccccc1SC[C@@H](C)O 62a_100000751169_100009817552 [0,1,0,0,0,0|2,0,0]=3 1185 B14R1.4522 CC(=O)c1cccnc1SCC(C)C 62a_100000210624_100000753718 [0,1,0,0,0,0|3,0,0]=4 1186 B14R1.4522 CC(=O)c1cccnc1SCC(C)C 62a_100000753718_100000210760 [0,1,0,0,0,0|3,0,0]=4 1187 B14R1.4522 CC(=O)c1cccnc1SCC(C)O 62a_100000753718_100011218427 [0,1,0,0,0,0|3,0,0]=4 1188 B14R1.4522 CC(=O)c1cccnc1SCC(C)O 62a_100011218427_100000753718 [0,1,0,0,0,0|3,0,0]=4 1189 B14R1.4522 CC(=O)c1cccnc1SC[C@@H](C)O 62a_100000753718_100009817552 [0,1,0,0,0,0|3,0,0]=4 1190 B14R1.4522 CC(=O)c1cccnc1SC[C@@H](C)O 62a_100009817552_100000753718 [0,1,0,0,0,0|3,0,0]=4 1191 B14R1.4522 CC(=O)c1ccncc1SCC(C)C 62a_100000210624_100009993184 [0,1,0,0,0,0|3,0,0]=4 1192 B14R1.4522 CC(=O)c1ccncc1SCC(C)C 62a_100009993184_100000210760 [0,1,0,0,0,0|3,0,0]=4 1193 B14R1.4522 CC(=O)c1ccncc1SCC(C)O 62a_100009993184_100011218427 [0,1,0,0,0,0|3,0,0]=4 1194 B14R1.4522 CC(=O)c1ccncc1SCC(C)O 62a_100011218427_100009993184 [0,1,0,0,0,0|3,0,0]=4 1195 B14R1.4522 CC(=O)c1ccncc1SC[C@@H](C)O 62a_100009817552_100009993184 [0,1,0,0,0,0|3,0,0]=4 1196 B14R1.4522 CC(=O)c1ccncc1SC[C@@H](C)O 62a_100009993184_100009817552 [0,1,0,0,0,0|3,0,0]=4 1197 B14R1.4522 CC(=O)c1cnccc1SCC(C)C 62a_100000210624_100160469449 [0,1,0,0,0,0|3,0,0]=4 1198 B14R1.4522 CC(=O)c1cnccc1SCC(C)C 62a_100160469449_100000210760 [0,1,0,0,0,0|3,0,0]=4 1199 B14R1.4522 CC(=O)c1cnccc1SCC(C)O 62a_100011218427_100160469449 [0,1,0,0,0,0|3,0,0]=4 1200 B14R1.4522 CC(=O)c1cnccc1SCC(C)O 62a_100160469449_100011218427 [0,1,0,0,0,0|3,0,0]=4 1201 B14R1.4522 CC(=O)c1cnccc1SC[C@@H](C)O 62a_100009817552_100160469449 [0,1,0,0,0,0|3,0,0]=4 1202 B14R1.4522 CC(=O)c1cnccc1SC[C@@H](C)O 62a_100160469449_100009817552 [0,1,0,0,0,0|3,0,0]=4 1203 B14R1.4522 CC(=O)c1ncccc1SCC(C)C 62a_100000210624_100012348690 [0,1,0,0,0,0|3,0,0]=4 1204 B14R1.4522 CC(=O)c1ncccc1SCC(C)C 62a_100012348690_100000210760 [0,1,0,0,0,0|3,0,0]=4 1205 B14R1.4522 CC(=O)c1ncccc1SCC(C)O 62a_100011218427_100012348690 [0,1,0,0,0,0|3,0,0]=4 1206 B14R1.4522 CC(=O)c1ncccc1SCC(C)O 62a_100012348690_100011218427 [0,1,0,0,0,0|3,0,0]=4 1207 B14R1.4522 CC(=O)c1ncccc1SC[C@@H](C)O 62a_100009817552_100012348690 [0,1,0,0,0,0|3,0,0]=4 1208 B14R1.4522 CC(=O)c1ncccc1SC[C@@H](C)O 62a_100012348690_100009817552 [0,1,0,0,0,0|3,0,0]=4 1209 B14R1.4522 CC(C)C=Cc1ccccc1C(=O)N 271570a_100016257149_100000162227 [0,1,0,0,0,0|3,0,0]=4 1210 B14R1.4522 CC(C)CNc1ccccc1C(=O)N 34a_100000185089_100000210624 [0,1,0,0,0,0|3,0,0]=4 1211 B14R1.4522 CC(C)COc1ccccc1C(=O)N 34a_100000192804_100000210624 [0,1,0,0,0,0|2,1,0]=4 1212 B14R1.4522 CC(C)COc1ccccc1C(=O)N 7a_100000192804_100000210760 [0,1,0,0,0,0|2,1,0]=4 1213 B14R1.4522 CC(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000210760 [0,1,0,0,0,0|1,1,1]=4 1214 B14R1.4522 CC(C)CSc1ccccc1B(O)O 62a_100000210624_100000693059 [0,1,0,0,0,0|2,0,1]=4 1215 B14R1.4522 CC(C)CSc1ccccc1B(O)O 62a_100000693059_100000210760 [0,1,0,0,0,0|2,0,1]=4 1216 B14R1.4522 CC(C)CSc1ccccc1C(=O)N 62a_100000162227_100000210760 [0,1,0,0,0,0|2,0,0]=3 1217 B14R1.4522 CC(C)CSc1ccccc1C(=O)N 62a_100000210624_100000162227 [0,1,0,0,0,0|2,0,0]=3 1218 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_100000210624_100000734275 [0,1,0,0,0,0|1,0,0]=2 1219 B14R1.4522 CC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000210760 [0,1,0,0,0,0|1,0,0]=2 1220 B14R1.4522 CC(C)CSc1ccccc1C(=O)[13CH3] 1458a_200000217235_200025704644 [0,1,0,0,0,0|2,0,0]=3 1221 B14R1.4522 CC(C)CSc1ccccc1C(C)O 62a_100000210624_100000702211 [0,1,0,0,0,0|2,0,1]=4 1222 B14R1.4522 CC(C)CSc1ccccc1C(C)O 62a_100000702211_100000210760 [0,1,0,0,0,0|2,0,1]=4 1223 B14R1.4522 CC(C)CSc1ccccc1S(=O)C 62a_100000734199_100000210760 [0,1,0,0,0,0|3,0,0]=4 1224 B14R1.4522 CC(C)CSc1cccnc1C(=O)N 62a_100000210624_200012359670 [0,1,0,0,0,0|3,0,0]=4 1225 B14R1.4522 CC(C)CSc1cccnc1C(=O)N 62a_200012359670_100000210760 [0,1,0,0,0,0|3,0,0]=4 1226 B14R1.4522 CC(C)CSc1ccncc1C(=O)N 62a_100000210624_100000697804 [0,1,0,0,0,0|3,0,0]=4 1227 B14R1.4522 CC(C)CSc1ccncc1C(=O)N 62a_100000697804_100000210760 [0,1,0,0,0,0|3,0,0]=4 1228 B14R1.4522 CC(C)CSc1cnccc1C(=O)N 62a_100000210624_100010205435 [0,1,0,0,0,0|3,0,0]=4 1229 B14R1.4522 CC(C)CSc1cnccc1C(=O)N 62a_100010205435_100000210760 [0,1,0,0,0,0|3,0,0]=4 1230 B14R1.4522 CC(C)CSc1ncccc1C(=O)N 62a_100000162199_100000210760 [0,1,0,0,0,0|3,0,0]=4 1231 B14R1.4522 CC(C)CSc1ncccc1C(=O)N 62a_100000210624_100000162199 [0,1,0,0,0,0|3,0,0]=4 1232 B14R1.4522 CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000210206 [0,1,0,0,0,0|2,0,0]=3 1233 B14R1.4522 CC(O)C=Cc1ccccc1C(=O)N 271570a_200011019289_100000162227 [0,1,0,0,0,0|3,0,0]=4 1234 B14R1.4522 CC(O)CNc1ccccc1C(=O)N 34a_100000185089_100011218427 [0,1,0,0,0,0|3,0,0]=4 1235 B14R1.4522 CC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218427 [0,1,0,0,0,0|2,1,0]=4 1236 B14R1.4522 CC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218427 [0,1,0,0,0,0|2,1,0]=4 1237 B14R1.4522 CC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218427 [0,1,0,0,0,0|1,1,1]=4 1238 B14R1.4522 CC(O)CSc1ccccc1B(O)O 62a_100000693059_100011218427 [0,1,0,0,0,0|2,0,1]=4 1239 B14R1.4522 CC(O)CSc1ccccc1B(O)O 62a_100011218427_100000693059 [0,1,0,0,0,0|2,0,1]=4 1240 B14R1.4522 CC(O)CSc1ccccc1C(=O)N 62a_100000162227_100011218427 [0,1,0,0,0,0|2,0,0]=3 1241 B14R1.4522 CC(O)CSc1ccccc1C(=O)N 62a_100011218427_100000162227 [0,1,0,0,0,0|2,0,0]=3 1242 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_100011218427_100000734275 [0,1,0,0,0,0|1,0,0]=2 1243 B14R1.4522 CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218427 [0,1,0,0,0,0|1,0,0]=2 1244 B14R1.4522 CC(O)CSc1ccccc1C(C)O 62a_100000702211_100011218427 [0,1,0,0,0,0|2,0,1]=4 1245 B14R1.4522 CC(O)CSc1ccccc1C(C)O 62a_100011218427_100000702211 [0,1,0,0,0,0|2,0,1]=4 1246 B14R1.4522 CC(O)CSc1ccccc1S(=O)C 62a_100000734199_100011218427 [0,1,0,0,0,0|3,0,0]=4 1247 B14R1.4522 CC(O)CSc1cccnc1C(=O)N 62a_100011218427_200012359670 [0,1,0,0,0,0|3,0,0]=4 1248 B14R1.4522 CC(O)CSc1cccnc1C(=O)N 62a_200012359670_100011218427 [0,1,0,0,0,0|3,0,0]=4 1249 B14R1.4522 CC(O)CSc1ccncc1C(=O)N 62a_100000697804_100011218427 [0,1,0,0,0,0|3,0,0]=4 1250 B14R1.4522 CC(O)CSc1ccncc1C(=O)N 62a_100011218427_100000697804 [0,1,0,0,0,0|3,0,0]=4 1251 B14R1.4522 CC(O)CSc1cnccc1C(=O)N 62a_100010205435_100011218427 [0,1,0,0,0,0|3,0,0]=4 1252 B14R1.4522 CC(O)CSc1cnccc1C(=O)N 62a_100011218427_100010205435 [0,1,0,0,0,0|3,0,0]=4 1253 B14R1.4522 CC(O)CSc1ncccc1C(=O)N 62a_100000162199_100011218427 [0,1,0,0,0,0|3,0,0]=4 1254 B14R1.4522 CC(O)CSc1ncccc1C(=O)N 62a_100011218427_100000162199 [0,1,0,0,0,0|3,0,0]=4 1255 B14R1.4522 CC(O)c1ccccc1SC[C@@H](C)O 62a_100000702211_100009817552 [0,1,0,0,0,0|2,0,1]=4 1256 B14R1.4522 CC(O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000702211 [0,1,0,0,0,0|2,0,1]=4 1257 B14R1.4522 C[C@@H](O)CNc1ccccc1C(=O)N 34a_100000185089_100009817552 [0,1,0,0,0,0|3,0,0]=4 1258 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 34a_100000192804_100009817552 [0,1,0,0,0,0|2,1,0]=4 1259 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)N 7a_100000192804_100009817552 [0,1,0,0,0,0|2,1,0]=4 1260 B14R1.4522 C[C@@H](O)COc1ccccc1C(=O)[O-] 7a_100015234032_100009817552 [0,1,0,0,0,0|1,1,1]=4 1261 B14R1.4522 C[C@@H](O)CSc1ccccc1B(O)O 62a_100000693059_100009817552 [0,1,0,0,0,0|2,0,1]=4 1262 B14R1.4522 C[C@@H](O)CSc1ccccc1B(O)O 62a_100009817552_100000693059 [0,1,0,0,0,0|2,0,1]=4 1263 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)N 62a_100000162227_100009817552 [0,1,0,0,0,0|2,0,0]=3 1264 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)N 62a_100009817552_100000162227 [0,1,0,0,0,0|2,0,0]=3 1265 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_100009817552_100000734275 [0,1,0,0,0,0|1,0,0]=2 1266 B14R1.4522 C[C@@H](O)CSc1ccccc1C(=O)O 62a_202125556159_100009817552 [0,1,0,0,0,0|1,0,0]=2 1267 B14R1.4522 C[C@@H](O)CSc1ccccc1S(=O)C 62a_100000734199_100009817552 [0,1,0,0,0,0|3,0,0]=4 1268 B14R1.4522 C[C@@H](O)CSc1cccnc1C(=O)N 62a_100009817552_200012359670 [0,1,0,0,0,0|3,0,0]=4 1269 B14R1.4522 C[C@@H](O)CSc1cccnc1C(=O)N 62a_200012359670_100009817552 [0,1,0,0,0,0|3,0,0]=4 1270 B14R1.4522 C[C@@H](O)CSc1ccncc1C(=O)N 62a_100000697804_100009817552 [0,1,0,0,0,0|3,0,0]=4 1271 B14R1.4522 C[C@@H](O)CSc1ccncc1C(=O)N 62a_100009817552_100000697804 [0,1,0,0,0,0|3,0,0]=4 1272 B14R1.4522 C[C@@H](O)CSc1cnccc1C(=O)N 62a_100009817552_100010205435 [0,1,0,0,0,0|3,0,0]=4 1273 B14R1.4522 C[C@@H](O)CSc1cnccc1C(=O)N 62a_100010205435_100009817552 [0,1,0,0,0,0|3,0,0]=4 1274 B14R1.4522 C[C@@H](O)CSc1ncccc1C(=O)N 62a_100000162199_100009817552 [0,1,0,0,0,0|3,0,0]=4 1275 B14R1.4522 C[C@@H](O)CSc1ncccc1C(=O)N 62a_100009817552_100000162199 [0,1,0,0,0,0|3,0,0]=4 1276 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_100000747473_100000734275 [0,1,0,0,0,0|2,0,1]=4 1277 B14R1.4522 NC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747473 [0,1,0,0,0,0|2,0,1]=4 1278 B14R1.4522 NC(=O)c1ccccc1SCC(F)F 62a_100000162227_100011934356 [0,1,0,0,0,0|3,0,0]=4 1279 B14R1.4522 NC(=O)c1ccccc1SCC(F)F 62a_100011934356_100000162227 [0,1,0,0,0,0|3,0,0]=4 1280 B14R1.4522 O=C(O)c1ccccc1SCC(F)F 62a_100011934356_100000734275 [0,1,0,0,0,0|2,0,0]=3 1281 B14R1.4522 O=C(O)c1ccccc1SCC(F)F 62a_202125556159_100011934356 [0,1,0,0,0,0|2,0,0]=3 1282 B14R1.4522 O=C(O)c1ccccc1SC[N+](=O)[O-] 62a_202125556159_100000761209 [0,1,0,0,0,0|3,0,0]=4 1283 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_100020667443_100000734275 [0,1,0,0,0,0|2,0,1]=4 1284 B14R1.4522 O=C([O-])CSc1ccccc1C(=O)O 62a_202125556159_100020667443 [0,1,0,0,0,0|2,0,1]=4 1285 B14R1.7480 CC(=O)c1cccc(c1SCCF)F 62a_100011217306_100012362612 [0,1,0,0,0,0|3,0,0]=4 1286 B14R1.7480 CC(=O)c1cccc(c1SCCF)F 62a_100012362612_100011217306 [0,1,0,0,0,0|3,0,0]=4 1287 B14R1.7480 CC(=O)c1cccc(c1SCCO)F 62a_100000211926_100012362612 [0,1,0,0,0,0|3,0,0]=4 1288 B14R1.7480 CC(=O)c1cccc(c1SCCO)F 62a_100012362612_100000211926 [0,1,0,0,0,0|3,0,0]=4 1289 B14R1.7480 CCCCc1c(cccc1C(=O)C)F 271570a_100020621405_100012362612 [0,1,0,0,0,0|3,0,0]=4 1290 B14R1.7480 CCCCc1c(cccc1C(=O)N)C 271570a_100020621405_200011409216 [0,1,0,0,0,0|3,0,0]=4 1291 B14R1.7480 CCCCc1c(cccc1C(=O)N)F 271570a_100020621405_200012351544 [0,1,0,0,0,0|3,0,0]=4 1292 B14R1.7480 CCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210303 [0,1,0,0,0,0|3,0,0]=4 1293 B14R1.7480 CCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210303 [0,1,0,0,0,0|3,0,0]=4 1294 B14R1.7480 CCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210303 [0,1,0,0,0,0|3,0,0]=4 1295 B14R1.7480 CCCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210303 [0,1,0,0,0,0|2,1,0]=4 1296 B14R1.7480 CCCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210303 [0,1,0,0,0,0|2,1,0]=4 1297 B14R1.7480 CCCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210303 [0,1,0,0,0,0|2,1,0]=4 1298 B14R1.7480 CCCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210303 [0,1,0,0,0,0|2,1,0]=4 1299 B14R1.7480 CCCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210303 [0,1,0,0,0,0|2,1,0]=4 1300 B14R1.7480 CCCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210303 [0,1,0,0,0,0|2,1,0]=4 1301 B14R1.7480 CCCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210303 [0,1,0,0,0,0|2,1,0]=4 1302 B14R1.7480 CCCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210303 [0,1,0,0,0,0|2,1,0]=4 1303 B14R1.7480 CCCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210303 [0,1,0,0,0,0|2,1,0]=4 1304 B14R1.7480 CCCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210303 [0,1,0,0,0,0|2,1,0]=4 1305 B14R1.7480 CCCSc1c(cccc1B(O)O)C 62a_100000210303_100046285795 [0,1,0,0,0,0|2,0,1]=4 1306 B14R1.7480 CCCSc1c(cccc1B(O)O)C 62a_100046285795_100000210303 [0,1,0,0,0,0|2,0,1]=4 1307 B14R1.7480 CCCSc1c(cccc1B(O)O)F 62a_100000210303_100011016267 [0,1,0,0,0,0|2,0,1]=4 1308 B14R1.7480 CCCSc1c(cccc1B(O)O)F 62a_100011016267_100000210303 [0,1,0,0,0,0|2,0,1]=4 1309 B14R1.7480 CCCSc1c(cccc1C(=O)C)F 62a_100000210303_100012362612 [0,1,0,0,0,0|2,0,0]=3 1310 B14R1.7480 CCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210303 [0,1,0,0,0,0|2,0,0]=3 1311 B14R1.7480 CCCSc1c(cccc1C(=O)N)C 62a_100000210303_200011409216 [0,1,0,0,0,0|2,0,0]=3 1312 B14R1.7480 CCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210303 [0,1,0,0,0,0|2,0,0]=3 1313 B14R1.7480 CCCSc1c(cccc1C(=O)N)F 62a_100000210303_200012351544 [0,1,0,0,0,0|2,0,0]=3 1314 B14R1.7480 CCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210303 [0,1,0,0,0,0|2,0,0]=3 1315 B14R1.7480 COCSc1c(cccc1C(=O)C)F 62a_100000766300_100012362612 [0,1,0,0,0,0|3,0,0]=4 1316 B14R1.7480 COCSc1c(cccc1C(=O)C)F 62a_100012362612_100000766300 [0,1,0,0,0,0|3,0,0]=4 1317 B14R1.7480 COCSc1c(cccc1C(=O)N)C 62a_100000766300_200011409216 [0,1,0,0,0,0|3,0,0]=4 1318 B14R1.7480 COCSc1c(cccc1C(=O)N)C 62a_200011409216_100000766300 [0,1,0,0,0,0|3,0,0]=4 1319 B14R1.7480 COCSc1c(cccc1C(=O)N)F 62a_100000766300_200012351544 [0,1,0,0,0,0|3,0,0]=4 1320 B14R1.7480 COCSc1c(cccc1C(=O)N)F 62a_200012351544_100000766300 [0,1,0,0,0,0|3,0,0]=4 1321 B14R1.7480 CSCSc1c(cccc1C(=O)C)F 62a_100011218213_100012362612 [0,1,0,0,0,0|3,0,0]=4 1322 B14R1.7480 CSCSc1c(cccc1C(=O)C)F 62a_100012362612_100011218213 [0,1,0,0,0,0|3,0,0]=4 1323 B14R1.7480 CSCSc1c(cccc1C(=O)N)C 62a_100011218213_200011409216 [0,1,0,0,0,0|3,0,0]=4 1324 B14R1.7480 CSCSc1c(cccc1C(=O)N)C 62a_200011409216_100011218213 [0,1,0,0,0,0|3,0,0]=4 1325 B14R1.7480 CSCSc1c(cccc1C(=O)N)F 62a_100011218213_200012351544 [0,1,0,0,0,0|3,0,0]=4 1326 B14R1.7480 CSCSc1c(cccc1C(=O)N)F 62a_200012351544_100011218213 [0,1,0,0,0,0|3,0,0]=4 1327 B14R1.7480 Cc1cccc(c1SCCF)C(=O)N 62a_100011217306_200011409216 [0,1,0,0,0,0|3,0,0]=4 1328 B14R1.7480 Cc1cccc(c1SCCF)C(=O)N 62a_200011409216_100011217306 [0,1,0,0,0,0|3,0,0]=4 1329 B14R1.7480 Cc1cccc(c1SCCO)C(=O)N 62a_100000211926_200011409216 [0,1,0,0,0,0|3,0,0]=4 1330 B14R1.7480 Cc1cccc(c1SCCO)C(=O)N 62a_200011409216_100000211926 [0,1,0,0,0,0|3,0,0]=4 1331 B14R1.7480 NC(=O)c1cccc(c1SCCF)F 62a_100011217306_200012351544 [0,1,0,0,0,0|3,0,0]=4 1332 B14R1.7480 NC(=O)c1cccc(c1SCCF)F 62a_200012351544_100011217306 [0,1,0,0,0,0|3,0,0]=4 1333 B14R1.7480 NC(=O)c1cccc(c1SCCO)F 62a_100000211926_200012351544 [0,1,0,0,0,0|3,0,0]=4 1334 B14R1.7480 NC(=O)c1cccc(c1SCCO)F 62a_200012351544_100000211926 [0,1,0,0,0,0|3,0,0]=4 1335 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [0,0,0,1,0,0|3,0,0]=4 1336 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [0,0,0,1,0,0|2,0,0]=3 1337 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [0,0,0,1,0,0|3,0,0]=4 1338 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [0,0,0,1,0,0|3,0,0]=4 1339 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [0,0,0,1,0,0|2,0,0]=3 1340 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [0,0,0,1,0,0|3,0,0]=4 1341 B14R2.9513 CC(=O)c1ccccc1SC2CC2 62a_100000751169_100000211595 [0,0,0,1,0,0|2,0,0]=3 1342 B14R2.9513 CC(=O)c1cccnc1SC2CC2 62a_100000753718_100000211595 [0,0,0,1,0,0|3,0,0]=4 1343 B14R2.9513 CC(=O)c1ccncc1SC2CC2 62a_100009993184_100000211595 [0,0,0,1,0,0|3,0,0]=4 1344 B14R2.9513 CC(=O)c1cnccc1SC2CC2 62a_100160469449_100000211595 [0,0,0,1,0,0|3,0,0]=4 1345 B14R2.9513 CC(=O)c1ncccc1SC2CC2 62a_100012348690_100000211595 [0,0,0,1,0,0|3,0,0]=4 1346 B14R2.9513 CC(O)c1ccccc1SC2CC2 62a_100000702211_100000211595 [0,0,0,1,0,0|2,0,1]=4 1347 B14R2.9513 CS(=O)c1ccccc1SC2CC2 62a_100000734199_100000211595 [0,0,0,1,0,0|3,0,0]=4 1348 B14R2.9513 NC(=O)c1ccccc1NC2CC2 34a_100000185089_100000211595 [0,0,0,1,0,0|3,0,0]=4 1349 B14R2.9513 NC(=O)c1ccccc1OC2CC2 34a_100000192804_100000211595 [0,0,0,1,0,0|2,1,0]=4 1350 B14R2.9513 NC(=O)c1ccccc1SC2CC2 62a_100000162227_100000211595 [0,0,0,1,0,0|2,0,0]=3 1351 B14R2.9513 NC(=O)c1cccnc1SC2CC2 62a_100000162199_100000211595 [0,0,0,1,0,0|3,0,0]=4 1352 B14R2.9513 NC(=O)c1ccncc1SC2CC2 62a_100010205435_100000211595 [0,0,0,1,0,0|3,0,0]=4 1353 B14R2.9513 NC(=O)c1cnccc1SC2CC2 62a_100000697804_100000211595 [0,0,0,1,0,0|3,0,0]=4 1354 B14R2.9513 NC(=O)c1ncccc1SC2CC2 62a_200012359670_100000211595 [0,0,0,1,0,0|3,0,0]=4 1355 B14R2.9513 O=C(O)c1ccccc1SC2CC2 62a_202125556159_100000211595 [0,0,0,1,0,0|1,0,0]=2 1356 B14R2.9513 OB(O)c1ccccc1SC2CC2 62a_100000693059_100000211595 [0,0,0,1,0,0|2,0,1]=4 1357 B14R2.31359 CC(=O)c1cccc2c1CCCC2 1458a_100011996388_200000210301 [0,0,0,1,0,0|3,0,0]=4 1358 B14R2.31359 CC(=O)c1cccc2c1OCCC2 1458a_100012017338_200000210301 [0,0,0,1,0,0|2,1,0]=4 1359 B14R2.31359 [13CH3]C(=O)c1cccc2c1CCCC2 1458a_100011996388_200025704644 [0,0,0,1,0,0|3,0,0]=4 1360 B14R2.31359 [13CH3]C(=O)c1cccc2c1OCCC2 1458a_100012017338_200025704644 [0,0,0,1,0,0|2,1,0]=4 1361 B12R1.386 CCCSc1ccsc1C(=O)C 62a_100000738688_100000210303 [0,0,0,0,1,0|3,0,0]=4 1362 B12R1.386 CCCSc1cscc1C(=O)N 62a_100000210303_100009817205 [0,0,0,0,1,0|3,0,0]=4 1363 B12R1.386 CCCSc1cscc1C(=O)N 62a_100009817205_100000210303 [0,0,0,0,1,0|3,0,0]=4 1364 B14R1.786 CC(=O)Cc1ccccc1SCCF 62a_100011217306_100011350739 [0,0,0,0,0,1|3,0,0]=4 1365 B14R1.786 CC(=O)Cc1ccccc1SCCF 62a_100011350739_100011217306 [0,0,0,0,0,1|3,0,0]=4 1366 B14R1.786 CC(=O)Cc1ccccc1SCCO 62a_100000211926_100011350739 [0,0,0,0,0,1|3,0,0]=4 1367 B14R1.786 CC(=O)Cc1ccccc1SCCO 62a_100011350739_100000211926 [0,0,0,0,0,1|3,0,0]=4 1368 B14R1.786 CC(=O)Nc1ccccc1SCCF 62a_100011217306_100000153524 [0,0,0,0,0,1|3,0,0]=4 1369 B14R1.786 CC(=O)Nc1ccccc1SCCO 62a_100000211926_100000153524 [0,0,0,0,0,1|3,0,0]=4 1370 B14R1.786 CC(=O)Oc1ccccc1SCCF 62a_100000051690_100011217306 [0,0,0,0,0,1|3,0,0]=4 1371 B14R1.786 CC(=O)Oc1ccccc1SCCF 62a_100011217306_100000051690 [0,0,0,0,0,1|3,0,0]=4 1372 B14R1.786 CC(=O)Oc1ccccc1SCCO 62a_100000051690_100000211926 [0,0,0,0,0,1|3,0,0]=4 1373 B14R1.786 CC(=O)Oc1ccccc1SCCO 62a_100000211926_100000051690 [0,0,0,0,0,1|3,0,0]=4 1374 B14R1.786 CCCCc1ccccc1CC(=O)C 271570a_100020621405_100011350739 [0,0,0,0,0,1|3,0,0]=4 1375 B14R1.786 CCCCc1ccccc1CC(=O)N 271570a_100020621405_200009814924 [0,0,0,0,0,1|3,0,0]=4 1376 B14R1.786 CCCCc1ccccc1NC(=O)C 11a_200011217597_100015343762 [0,0,0,0,0,1|3,0,0]=4 1377 B14R1.786 CCCCc1ccccc1NC(=O)C 1626a_200011217597_100015343762 [0,0,0,0,0,1|3,0,0]=4 1378 B14R1.786 CCCCc1ccccc1NC(=O)C 22a_200011217597_100000070787 [0,0,0,0,0,1|3,0,0]=4 1379 B14R1.786 CCCCc1ccccc1NC(=O)C 271570a_100020621405_100000153524 [0,0,0,0,0,1|3,0,0]=4 1380 B14R1.786 CCCCc1ccccc1NC(=O)C 527a_200011217597_100103153847 [0,0,0,0,0,1|3,0,0]=4 1381 B14R1.786 CCCCc1ccccc1NC(=O)N 271570a_100020621405_100000742221 [0,0,0,0,0,1|3,0,0]=4 1382 B14R1.786 CCCCc1ccccc1OC(=O)C 271570a_100020621405_100000051690 [0,0,0,0,0,1|3,0,0]=4 1383 B14R1.786 CCCNc1ccccc1NC(=O)C 34a_100011193560_100000210303 [0,0,0,0,0,1|3,0,0]=4 1384 B14R1.786 CCCOc1ccccc1NC(=O)C 11a_100000683936_100015343762 [0,0,0,0,0,1|2,1,0]=4 1385 B14R1.786 CCCOc1ccccc1NC(=O)C 1626a_100000683936_100015343762 [0,0,0,0,0,1|2,1,0]=4 1386 B14R1.786 CCCOc1ccccc1NC(=O)C 22a_100000683936_100000070787 [0,0,0,0,0,1|2,1,0]=4 1387 B14R1.786 CCCOc1ccccc1NC(=O)C 34a_100000185124_100000210303 [0,0,0,0,0,1|2,1,0]=4 1388 B14R1.786 CCCOc1ccccc1NC(=O)C 527a_100000683936_100103153847 [0,0,0,0,0,1|2,1,0]=4 1389 B14R1.786 CCCOc1ccccc1NC(=O)C 7a_100000185124_100000210303 [0,0,0,0,0,1|2,1,0]=4 1390 B14R1.786 CCCSc1ccccc1CC(=O)C 62a_100000210303_100011350739 [0,0,0,0,0,1|2,0,0]=3 1391 B14R1.786 CCCSc1ccccc1CC(=O)C 62a_100011350739_100000210303 [0,0,0,0,0,1|2,0,0]=3 1392 B14R1.786 CCCSc1ccccc1CC(=O)N 62a_100000210303_200009814924 [0,0,0,0,0,1|2,0,0]=3 1393 B14R1.786 CCCSc1ccccc1CC(=O)N 62a_200009814924_100000210303 [0,0,0,0,0,1|2,0,0]=3 1394 B14R1.786 CCCSc1ccccc1NC(=O)C 11a_100015184514_100015343762 [0,0,0,0,0,1|2,0,0]=3 1395 B14R1.786 CCCSc1ccccc1NC(=O)C 22a_100015184514_100000070787 [0,0,0,0,0,1|2,0,0]=3 1396 B14R1.786 CCCSc1ccccc1NC(=O)C 62a_100000210303_100000153524 [0,0,0,0,0,1|2,0,0]=3 1397 B14R1.786 CCCSc1ccccc1NC(=O)N 62a_100000210303_100000742221 [0,0,0,0,0,1|2,0,0]=3 1398 B14R1.786 CCCSc1ccccc1OC(=O)C 62a_100000051690_100000210303 [0,0,0,0,0,1|2,0,0]=3 1399 B14R1.786 CCCSc1ccccc1OC(=O)C 62a_100000210303_100000051690 [0,0,0,0,0,1|2,0,0]=3 1400 B14R1.786 CCCSc1cnccc1NC(=O)C 62a_100000210303_100016132053 [0,0,0,0,0,1|3,0,0]=4 1401 B14R1.786 CCCSc1ncccc1OC(=O)C 62a_100000210303_200009815371 [0,0,0,0,0,1|3,0,0]=4 1402 B14R1.786 CCCSc1ncccc1OC(=O)C 62a_200009815371_100000210303 [0,0,0,0,0,1|3,0,0]=4 1403 B14R1.786 CCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210202 [0,0,0,0,0,1|2,0,0]=3 1404 B14R1.786 CCNCc1ccccc1OC(=O)C 270004a_100015525214_100009864558 [0,0,0,0,0,1|3,0,0]=4 1405 B14R1.786 CCOCc1ccccc1NC(=O)C 34a_100000192217_100000210202 [0,0,0,0,0,1|3,0,0]=4 1406 B14R1.786 CCOCc1ccccc1NC(=O)C 7a_100000192217_100000210202 [0,0,0,0,0,1|3,0,0]=4 1407 B14R1.786 COCSc1ccccc1CC(=O)C 62a_100000766300_100011350739 [0,0,0,0,0,1|3,0,0]=4 1408 B14R1.786 COCSc1ccccc1CC(=O)C 62a_100011350739_100000766300 [0,0,0,0,0,1|3,0,0]=4 1409 B14R1.786 COCSc1ccccc1CC(=O)N 62a_100000766300_200009814924 [0,0,0,0,0,1|3,0,0]=4 1410 B14R1.786 COCSc1ccccc1CC(=O)N 62a_200009814924_100000766300 [0,0,0,0,0,1|3,0,0]=4 1411 B14R1.786 COCSc1ccccc1NC(=O)C 62a_100000766300_100000153524 [0,0,0,0,0,1|3,0,0]=4 1412 B14R1.786 COCSc1ccccc1NC(=O)N 62a_100000766300_100000742221 [0,0,0,0,0,1|3,0,0]=4 1413 B14R1.786 COCSc1ccccc1OC(=O)C 62a_100000051690_100000766300 [0,0,0,0,0,1|3,0,0]=4 1414 B14R1.786 COCSc1ccccc1OC(=O)C 62a_100000766300_100000051690 [0,0,0,0,0,1|3,0,0]=4 1415 B14R1.786 CSCSc1ccccc1CC(=O)C 62a_100011218213_100011350739 [0,0,0,0,0,1|3,0,0]=4 1416 B14R1.786 CSCSc1ccccc1CC(=O)C 62a_100011350739_100011218213 [0,0,0,0,0,1|3,0,0]=4 1417 B14R1.786 CSCSc1ccccc1CC(=O)N 62a_100011218213_200009814924 [0,0,0,0,0,1|3,0,0]=4 1418 B14R1.786 CSCSc1ccccc1CC(=O)N 62a_200009814924_100011218213 [0,0,0,0,0,1|3,0,0]=4 1419 B14R1.786 CSCSc1ccccc1NC(=O)C 62a_100011218213_100000153524 [0,0,0,0,0,1|3,0,0]=4 1420 B14R1.786 CSCSc1ccccc1NC(=O)N 62a_100011218213_100000742221 [0,0,0,0,0,1|3,0,0]=4 1421 B14R1.786 CSCSc1ccccc1OC(=O)C 62a_100000051690_100011218213 [0,0,0,0,0,1|3,0,0]=4 1422 B14R1.786 CSCSc1ccccc1OC(=O)C 62a_100011218213_100000051690 [0,0,0,0,0,1|3,0,0]=4 1423 B14R1.786 NC(=O)Cc1ccccc1SCCF 62a_100011217306_200009814924 [0,0,0,0,0,1|3,0,0]=4 1424 B14R1.786 NC(=O)Cc1ccccc1SCCF 62a_200009814924_100011217306 [0,0,0,0,0,1|3,0,0]=4 1425 B14R1.786 NC(=O)Cc1ccccc1SCCO 62a_100000211926_200009814924 [0,0,0,0,0,1|3,0,0]=4 1426 B14R1.786 NC(=O)Cc1ccccc1SCCO 62a_200009814924_100000211926 [0,0,0,0,0,1|3,0,0]=4 1427 B14R1.786 NC(=O)Nc1ccccc1SCCF 62a_100011217306_100000742221 [0,0,0,0,0,1|3,0,0]=4 1428 B14R1.786 NC(=O)Nc1ccccc1SCCO 62a_100000211926_100000742221 [0,0,0,0,0,1|3,0,0]=4 1429 B14R1.786 O=C(O)Cc1ccccc1CNCF 269956a_100000688124_100015361967 [0,0,0,0,0,1|3,0,0]=4 1430 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [2,0,0,0,0,0|2,0,0]=4 1431 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [2,0,0,0,0,0|2,0,0]=4 1432 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [2,0,0,0,0,0|1,1,0]=4 1433 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [2,0,0,0,0,0|2,0,0]=4 1434 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [2,0,0,0,0,0|2,0,0]=4 1435 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [2,0,0,0,0,0|2,0,0]=4 1436 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [2,0,0,0,0,0|2,0,0]=4 1437 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [2,0,0,0,0,0|1,0,1]=4 1438 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [2,0,0,0,0,0|1,0,1]=4 1439 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [2,0,0,0,0,0|2,0,0]=4 1440 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [2,0,0,0,0,0|2,0,0]=4 1441 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [2,0,0,0,0,0|2,0,0]=4 1442 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [2,0,0,0,0,0|2,0,0]=4 1443 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [2,0,0,0,0,0|2,0,0]=4 1444 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [2,0,0,0,0,0|2,0,0]=4 1445 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [2,0,0,0,0,0|1,0,0]=3 1446 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [2,0,0,0,0,0|1,0,0]=3 1447 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [2,0,0,0,0,0|2,0,0]=4 1448 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [2,0,0,0,0,0|2,0,0]=4 1449 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [2,0,0,0,0,0|2,0,0]=4 1450 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [2,0,0,0,0,0|2,0,0]=4 1451 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [2,0,0,0,0,0|2,0,0]=4 1452 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [2,0,0,0,0,0|2,0,0]=4 1453 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [2,0,0,0,0,0|2,0,0]=4 1454 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [2,0,0,0,0,0|2,0,0]=4 1455 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [2,0,0,0,0,0|2,0,0]=4 1456 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [2,0,0,0,0,0|2,0,0]=4 1457 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [2,0,0,0,0,0|2,0,0]=4 1458 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [2,0,0,0,0,0|2,0,0]=4 1459 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [2,0,0,0,0,0|2,0,0]=4 1460 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [2,0,0,0,0,0|2,0,0]=4 1461 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [2,0,0,0,0,0|2,0,0]=4 1462 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [2,0,0,0,0,0|2,0,0]=4 1463 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [2,0,0,0,0,0|2,0,0]=4 1464 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [2,0,0,0,0,0|2,0,0]=4 1465 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [2,0,0,0,0,0|2,0,0]=4 1466 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [2,0,0,0,0,0|2,0,0]=4 1467 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [2,0,0,0,0,0|1,1,0]=4 1468 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [2,0,0,0,0,0|1,0,0]=3 1469 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [2,0,0,0,0,0|1,0,0]=3 1470 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [2,0,0,0,0,0|1,0,0]=3 1471 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [2,0,0,0,0,0|2,0,0]=4 1472 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [2,0,0,0,0,0|2,0,0]=4 1473 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [2,0,0,0,0,0|1,0,1]=4 1474 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [2,0,0,0,0,0|1,0,1]=4 1475 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [2,0,0,0,0,0|0,1,1]=4 1476 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [2,0,0,0,0,0|1,0,1]=4 1477 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [2,0,0,0,0,0|0,0,0]=2 1478 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [2,0,0,0,0,0|0,0,0]=2 1479 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [2,0,0,0,0,0|1,0,1]=4 1480 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [2,0,0,0,0,0|1,0,1]=4 1481 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [2,0,0,0,0,0|1,0,1]=4 1482 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [2,0,0,0,0,0|1,0,1]=4 1483 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [2,0,0,0,0,0|0,0,1]=3 1484 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [2,0,0,0,0,0|0,0,1]=3 1485 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [2,0,0,0,0,0|2,0,0]=4 1486 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [2,0,0,0,0,0|2,0,0]=4 1487 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [2,0,0,0,0,0|2,0,0]=4 1488 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [2,0,0,0,0,0|2,0,0]=4 1489 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [2,0,0,0,0,0|2,0,0]=4 1490 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [2,0,0,0,0,0|2,0,0]=4 1491 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [2,0,0,0,0,0|2,0,0]=4 1492 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [2,0,0,0,0,0|2,0,0]=4 1493 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [2,0,0,0,0,0|2,0,0]=4 1494 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [2,0,0,0,0,0|2,0,0]=4 1495 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [2,0,0,0,0,0|2,0,0]=4 1496 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [2,0,0,0,0,0|2,0,0]=4 1497 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [2,0,0,0,0,0|2,0,0]=4 1498 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [2,0,0,0,0,0|2,0,0]=4 1499 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [2,0,0,0,0,0|1,0,0]=3 1500 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [2,0,0,0,0,0|1,0,0]=3 1501 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [2,0,0,0,0,0|1,0,1]=4 1502 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [2,0,0,0,0,0|1,0,1]=4 1503 B11R1.41 CCSc1ccncc1C=O 62a_100000050567_100000210202 [2,0,0,0,0,0|1,0,0]=3 1504 B11R1.41 CCSc1ccncc1C=O 62a_100000210202_100000050567 [2,0,0,0,0,0|1,0,0]=3 1505 B11R1.41 CCSc1ccncc1CO 62a_100000117392_100000210202 [2,0,0,0,0,0|1,0,1]=4 1506 B11R1.41 CCSc1ccncc1CO 62a_100000210202_100000117392 [2,0,0,0,0,0|1,0,1]=4 1507 B11R1.41 CCSc1cnccc1C=O 62a_100000210202_100011934409 [2,0,0,0,0,0|1,0,0]=3 1508 B11R1.41 CCSc1cnccc1C=O 62a_100011934409_100000210202 [2,0,0,0,0,0|1,0,0]=3 1509 B11R1.41 CCSc1cnccc1CO 62a_100000210202_100009873359 [2,0,0,0,0,0|1,0,1]=4 1510 B11R1.41 CCSc1cnccc1CO 62a_100009873359_100000210202 [2,0,0,0,0,0|1,0,1]=4 1511 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [2,0,0,0,0,0|1,0,0]=3 1512 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [2,0,0,0,0,0|1,0,0]=3 1513 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [2,0,0,0,0,0|1,0,1]=4 1514 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [2,0,0,0,0,0|1,0,1]=4 1515 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [2,0,0,0,0,0|2,0,0]=4 1516 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [2,0,0,0,0,0|2,0,0]=4 1517 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [2,0,0,0,0,0|2,0,0]=4 1518 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [2,0,0,0,0,0|2,0,0]=4 1519 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [2,0,0,0,0,0|2,0,0]=4 1520 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [2,0,0,0,0,0|2,0,0]=4 1521 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [2,0,0,0,0,0|2,0,0]=4 1522 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [2,0,0,0,0,0|2,0,0]=4 1523 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [2,0,0,0,0,0|1,0,0]=3 1524 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [2,0,0,0,0,0|1,0,0]=3 1525 B11R1.41 O=Cc1cccnc1SCF 62a_100009816751_100015361967 [2,0,0,0,0,0|2,0,0]=4 1526 B11R1.41 O=Cc1cccnc1SCF 62a_100015361967_100009816751 [2,0,0,0,0,0|2,0,0]=4 1527 B11R1.41 O=Cc1ccncc1SCF 62a_100011934409_100015361967 [2,0,0,0,0,0|2,0,0]=4 1528 B11R1.41 O=Cc1ccncc1SCF 62a_100015361967_100011934409 [2,0,0,0,0,0|2,0,0]=4 1529 B11R1.41 O=Cc1cnccc1SCF 62a_100000050567_100015361967 [2,0,0,0,0,0|2,0,0]=4 1530 B11R1.41 O=Cc1cnccc1SCF 62a_100015361967_100000050567 [2,0,0,0,0,0|2,0,0]=4 1531 B11R1.41 O=Cc1ncccc1SCF 62a_100011934733_100015361967 [2,0,0,0,0,0|2,0,0]=4 1532 B11R1.41 O=Cc1ncccc1SCF 62a_100015361967_100011934733 [2,0,0,0,0,0|2,0,0]=4 1533 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [2,0,0,0,0,0|1,0,1]=4 1534 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [2,0,0,0,0,0|1,0,1]=4 1535 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [2,0,0,0,0,0|2,0,0]=4 1536 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [2,0,0,0,0,0|2,0,0]=4 1537 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [2,0,0,0,0,0|2,0,0]=4 1538 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [2,0,0,0,0,0|2,0,0]=4 1539 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [2,0,0,0,0,0|2,0,0]=4 1540 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [2,0,0,0,0,0|1,0,0]=3 1541 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [2,0,0,0,0,0|2,0,0]=4 1542 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [2,0,0,0,0,0|2,0,0]=4 1543 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [2,0,0,0,0,0|2,0,0]=4 1544 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [2,0,0,0,0,0|2,0,0]=4 1545 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [2,0,0,0,0,0|2,0,0]=4 1546 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [2,0,0,0,0,0|2,0,0]=4 1547 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [2,0,0,0,0,0|2,0,0]=4 1548 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [2,0,0,0,0,0|2,0,0]=4 1549 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [2,0,0,0,0,0|1,0,1]=4 1550 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [2,0,0,0,0,0|1,0,1]=4 1551 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [2,0,0,0,0,0|1,0,0]=3 1552 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [2,0,0,0,0,0|1,0,0]=3 1553 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [2,0,0,0,0,0|2,0,0]=4 1554 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [2,0,0,0,0,0|1,1,0]=4 1555 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [2,0,0,0,0,0|1,1,0]=4 1556 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [2,0,0,0,0,0|1,1,0]=4 1557 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [2,0,0,0,0,0|1,1,0]=4 1558 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [2,0,0,0,0,0|0,1,1]=4 1559 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [2,0,0,0,0,0|2,0,0]=4 1560 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [2,0,0,0,0,0|1,0,1]=4 1561 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [2,0,0,0,0,0|1,0,1]=4 1562 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [2,0,0,0,0,0|1,0,0]=3 1563 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [2,0,0,0,0,0|1,0,0]=3 1564 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [2,0,0,0,0,0|1,0,0]=3 1565 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [2,0,0,0,0,0|1,0,0]=3 1566 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [2,0,0,0,0,0|0,0,0]=2 1567 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [2,0,0,0,0,0|0,0,0]=2 1568 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [2,0,0,0,0,0|1,0,0]=3 1569 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [2,0,0,0,0,0|1,0,1]=4 1570 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [2,0,0,0,0,0|1,0,1]=4 1571 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [2,0,0,0,0,0|2,0,0]=4 1572 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [2,0,0,0,0,0|2,0,0]=4 1573 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [2,0,0,0,0,0|2,0,0]=4 1574 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [2,0,0,0,0,0|2,0,0]=4 1575 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [2,0,0,0,0,0|2,0,0]=4 1576 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [2,0,0,0,0,0|2,0,0]=4 1577 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [2,0,0,0,0,0|2,0,0]=4 1578 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [2,0,0,0,0,0|2,0,0]=4 1579 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [2,0,0,0,0,0|2,0,0]=4 1580 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [2,0,0,0,0,0|2,0,0]=4 1581 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [2,0,0,0,0,0|2,0,0]=4 1582 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [2,0,0,0,0,0|2,0,0]=4 1583 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [2,0,0,0,0,0|2,0,0]=4 1584 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [2,0,0,0,0,0|2,0,0]=4 1585 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [2,0,0,0,0,0|2,0,0]=4 1586 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [2,0,0,0,0,0|2,0,0]=4 1587 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [2,0,0,0,0,0|2,0,0]=4 1588 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [2,0,0,0,0,0|2,0,0]=4 1589 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [2,0,0,0,0,0|2,0,0]=4 1590 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [2,0,0,0,0,0|1,1,0]=4 1591 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [2,0,0,0,0,0|1,1,0]=4 1592 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [2,0,0,0,0,0|0,1,1]=4 1593 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [2,0,0,0,0,0|1,0,1]=4 1594 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [2,0,0,0,0,0|1,0,1]=4 1595 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [2,0,0,0,0,0|1,0,0]=3 1596 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [2,0,0,0,0,0|1,0,0]=3 1597 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [2,0,0,0,0,0|0,0,0]=2 1598 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [2,0,0,0,0,0|0,0,0]=2 1599 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [2,0,0,0,0,0|2,0,0]=4 1600 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [2,0,0,0,0,0|2,0,0]=4 1601 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [2,0,0,0,0,0|2,0,0]=4 1602 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [2,0,0,0,0,0|2,0,0]=4 1603 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [2,0,0,0,0,0|2,0,0]=4 1604 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [2,0,0,0,0,0|2,0,0]=4 1605 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [2,0,0,0,0,0|2,0,0]=4 1606 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [2,0,0,0,0,0|2,0,0]=4 1607 B13R1.73 C=Cc1cc(ccc1SCCC)F 62a_100000210303_100012356183 [1,1,0,0,0,0|2,0,0]=4 1608 B13R1.73 C=Cc1cc(ccc1SCCC)F 62a_100012356183_100000210303 [1,1,0,0,0,0|2,0,0]=4 1609 B13R1.73 CCCCc1ccc(cc1C=O)Br 271570a_100020621405_100010185651 [1,1,0,0,0,0|2,0,0]=4 1610 B13R1.73 CCCCc1ccc(cc1C=O)C 271570a_100020621405_100011551863 [1,1,0,0,0,0|2,0,0]=4 1611 B13R1.73 CCCCc1ccc(cc1C=O)Cl 271570a_100020621405_100010254386 [1,1,0,0,0,0|2,0,0]=4 1612 B13R1.73 CCCCc1ccc(cc1C=O)F 271570a_100020621405_100011218309 [1,1,0,0,0,0|2,0,0]=4 1613 B13R1.73 CCCCc1ccc(cc1C=O)O 271570a_100020621405_100000690577 [1,1,0,0,0,0|2,0,0]=4 1614 B13R1.73 CCCOc1ccc(cc1C=O)O 271570a_203496583355_100000170029 [1,1,0,0,0,0|1,1,0]=4 1615 B13R1.73 CCCSc1ccc(cc1C=O)Br 62a_100000210303_100010185651 [1,1,0,0,0,0|1,0,0]=3 1616 B13R1.73 CCCSc1ccc(cc1C=O)Br 62a_100010185651_100000210303 [1,1,0,0,0,0|1,0,0]=3 1617 B13R1.73 CCCSc1ccc(cc1C=O)C 62a_100000210303_100011551863 [1,1,0,0,0,0|1,0,0]=3 1618 B13R1.73 CCCSc1ccc(cc1C=O)C 62a_100011551863_100000210303 [1,1,0,0,0,0|1,0,0]=3 1619 B13R1.73 CCCSc1ccc(cc1C=O)Cl 62a_100000210303_100010254386 [1,1,0,0,0,0|1,0,0]=3 1620 B13R1.73 CCCSc1ccc(cc1C=O)Cl 62a_100010254386_100000210303 [1,1,0,0,0,0|1,0,0]=3 1621 B13R1.73 CCCSc1ccc(cc1C=O)F 62a_100000210303_100011218309 [1,1,0,0,0,0|1,0,0]=3 1622 B13R1.73 CCCSc1ccc(cc1C=O)F 62a_100011218309_100000210303 [1,1,0,0,0,0|1,0,0]=3 1623 B13R1.73 CCCSc1ccc(cc1C=O)O 62a_100000210303_100000690577 [1,1,0,0,0,0|1,0,0]=3 1624 B13R1.73 CCCSc1ccc(cc1C=O)O 62a_100000690577_100000210303 [1,1,0,0,0,0|1,0,0]=3 1625 B13R1.73 CCCSc1ccc(cc1CO)Br 62a_100000210303_100011356890 [1,1,0,0,0,0|1,0,1]=4 1626 B13R1.73 CCCSc1ccc(cc1CO)Br 62a_100011356890_100000210303 [1,1,0,0,0,0|1,0,1]=4 1627 B13R1.73 CCCSc1ccc(cc1CO)C 62a_100000210303_100012361352 [1,1,0,0,0,0|1,0,1]=4 1628 B13R1.73 CCCSc1ccc(cc1CO)C 62a_100012361352_100000210303 [1,1,0,0,0,0|1,0,1]=4 1629 B13R1.73 CCCSc1ccc(cc1CO)F 62a_100000210303_100011217561 [1,1,0,0,0,0|1,0,1]=4 1630 B13R1.73 CCCSc1ccc(cc1CO)F 62a_100011217561_100000210303 [1,1,0,0,0,0|1,0,1]=4 1631 B13R1.73 CCCSc1ccc(cc1CO)N 62a_100000210303_100012347228 [1,1,0,0,0,0|1,0,1]=4 1632 B13R1.73 CCCSc1ccc(cc1CO)N 62a_100012347228_100000210303 [1,1,0,0,0,0|1,0,1]=4 1633 B13R1.73 CCCSc1ccc(cc1CO)O 62a_100000210303_100012351483 [1,1,0,0,0,0|1,0,1]=4 1634 B13R1.73 CCCSc1ccc(cc1CO)O 62a_100012351483_100000210303 [1,1,0,0,0,0|1,0,1]=4 1635 B13R1.73 CCCSc1ccc(nc1C=O)C 62a_100000210303_100010173661 [1,1,0,0,0,0|2,0,0]=4 1636 B13R1.73 CCCSc1ccc(nc1C=O)C 62a_100010173661_100000210303 [1,1,0,0,0,0|2,0,0]=4 1637 B13R1.73 CCCSc1cnc(cc1C=O)O 62a_100000210303_100010064890 [1,1,0,0,0,0|2,0,0]=4 1638 B13R1.73 CCCSc1cnc(cc1C=O)O 62a_100010064890_100000210303 [1,1,0,0,0,0|2,0,0]=4 1639 B13R1.73 CCCSc1ncc(cc1C=O)C 62a_100000210303_100000050350 [1,1,0,0,0,0|2,0,0]=4 1640 B13R1.73 CCCSc1ncc(cc1C=O)F 62a_100000079965_100000210303 [1,1,0,0,0,0|2,0,0]=4 1641 B13R1.73 CCCSc1ncc(cc1C=O)F 62a_100000210303_100000079965 [1,1,0,0,0,0|2,0,0]=4 1642 B13R1.73 CCNCc1ccc(cc1C=O)F 2230a_100015525214_100010132769 [1,1,0,0,0,0|2,0,0]=4 1643 B13R1.73 CCOCc1ccc(cc1C=O)F 34a_100121572206_100010132769 [1,1,0,0,0,0|2,0,0]=4 1644 B13R1.73 CCSCc1ccc(cc1C=O)F 62a_100000210202_100010132769 [1,1,0,0,0,0|2,0,0]=4 1645 B13R1.73 CCSCc1ccc(cc1C=O)F 62a_100010132769_100000210202 [1,1,0,0,0,0|2,0,0]=4 1646 B13R1.73 COCSc1ccc(cc1C=O)Br 62a_100000766300_100010185651 [1,1,0,0,0,0|2,0,0]=4 1647 B13R1.73 COCSc1ccc(cc1C=O)Br 62a_100010185651_100000766300 [1,1,0,0,0,0|2,0,0]=4 1648 B13R1.73 COCSc1ccc(cc1C=O)C 62a_100000766300_100011551863 [1,1,0,0,0,0|2,0,0]=4 1649 B13R1.73 COCSc1ccc(cc1C=O)C 62a_100011551863_100000766300 [1,1,0,0,0,0|2,0,0]=4 1650 B13R1.73 COCSc1ccc(cc1C=O)Cl 62a_100000766300_100010254386 [1,1,0,0,0,0|2,0,0]=4 1651 B13R1.73 COCSc1ccc(cc1C=O)Cl 62a_100010254386_100000766300 [1,1,0,0,0,0|2,0,0]=4 1652 B13R1.73 COCSc1ccc(cc1C=O)F 62a_100000766300_100011218309 [1,1,0,0,0,0|2,0,0]=4 1653 B13R1.73 COCSc1ccc(cc1C=O)F 62a_100011218309_100000766300 [1,1,0,0,0,0|2,0,0]=4 1654 B13R1.73 COCSc1ccc(cc1C=O)O 62a_100000690577_100000766300 [1,1,0,0,0,0|2,0,0]=4 1655 B13R1.73 COCSc1ccc(cc1C=O)O 62a_100000766300_100000690577 [1,1,0,0,0,0|2,0,0]=4 1656 B13R1.73 CSCSc1ccc(cc1C=O)Br 62a_100010185651_100011218213 [1,1,0,0,0,0|2,0,0]=4 1657 B13R1.73 CSCSc1ccc(cc1C=O)Br 62a_100011218213_100010185651 [1,1,0,0,0,0|2,0,0]=4 1658 B13R1.73 CSCSc1ccc(cc1C=O)C 62a_100011218213_100011551863 [1,1,0,0,0,0|2,0,0]=4 1659 B13R1.73 CSCSc1ccc(cc1C=O)C 62a_100011551863_100011218213 [1,1,0,0,0,0|2,0,0]=4 1660 B13R1.73 CSCSc1ccc(cc1C=O)Cl 62a_100010254386_100011218213 [1,1,0,0,0,0|2,0,0]=4 1661 B13R1.73 CSCSc1ccc(cc1C=O)Cl 62a_100011218213_100010254386 [1,1,0,0,0,0|2,0,0]=4 1662 B13R1.73 CSCSc1ccc(cc1C=O)F 62a_100011218213_100011218309 [1,1,0,0,0,0|2,0,0]=4 1663 B13R1.73 CSCSc1ccc(cc1C=O)F 62a_100011218309_100011218213 [1,1,0,0,0,0|2,0,0]=4 1664 B13R1.73 CSCSc1ccc(cc1C=O)O 62a_100000690577_100011218213 [1,1,0,0,0,0|2,0,0]=4 1665 B13R1.73 CSCSc1ccc(cc1C=O)O 62a_100011218213_100000690577 [1,1,0,0,0,0|2,0,0]=4 1666 B13R1.73 Cc1ccc(c(c1)C=O)SCCF 62a_100011217306_100011551863 [1,1,0,0,0,0|2,0,0]=4 1667 B13R1.73 Cc1ccc(c(c1)C=O)SCCF 62a_100011551863_100011217306 [1,1,0,0,0,0|2,0,0]=4 1668 B13R1.73 Cc1ccc(c(c1)C=O)SCCO 62a_100000211926_100011551863 [1,1,0,0,0,0|2,0,0]=4 1669 B13R1.73 Cc1ccc(c(c1)C=O)SCCO 62a_100011551863_100000211926 [1,1,0,0,0,0|2,0,0]=4 1670 B13R1.73 O=Cc1cc(ccc1SCCF)Br 62a_100010185651_100011217306 [1,1,0,0,0,0|2,0,0]=4 1671 B13R1.73 O=Cc1cc(ccc1SCCF)Br 62a_100011217306_100010185651 [1,1,0,0,0,0|2,0,0]=4 1672 B13R1.73 O=Cc1cc(ccc1SCCF)Cl 62a_100010254386_100011217306 [1,1,0,0,0,0|2,0,0]=4 1673 B13R1.73 O=Cc1cc(ccc1SCCF)Cl 62a_100011217306_100010254386 [1,1,0,0,0,0|2,0,0]=4 1674 B13R1.73 O=Cc1cc(ccc1SCCF)F 62a_100011217306_100011218309 [1,1,0,0,0,0|2,0,0]=4 1675 B13R1.73 O=Cc1cc(ccc1SCCF)F 62a_100011218309_100011217306 [1,1,0,0,0,0|2,0,0]=4 1676 B13R1.73 O=Cc1cc(ccc1SCCF)O 62a_100000690577_100011217306 [1,1,0,0,0,0|2,0,0]=4 1677 B13R1.73 O=Cc1cc(ccc1SCCF)O 62a_100011217306_100000690577 [1,1,0,0,0,0|2,0,0]=4 1678 B13R1.73 O=Cc1cc(ccc1SCCO)Br 62a_100000211926_100010185651 [1,1,0,0,0,0|2,0,0]=4 1679 B13R1.73 O=Cc1cc(ccc1SCCO)Br 62a_100010185651_100000211926 [1,1,0,0,0,0|2,0,0]=4 1680 B13R1.73 O=Cc1cc(ccc1SCCO)Cl 62a_100000211926_100010254386 [1,1,0,0,0,0|2,0,0]=4 1681 B13R1.73 O=Cc1cc(ccc1SCCO)Cl 62a_100010254386_100000211926 [1,1,0,0,0,0|2,0,0]=4 1682 B13R1.73 O=Cc1cc(ccc1SCCO)F 62a_100000211926_100011218309 [1,1,0,0,0,0|2,0,0]=4 1683 B13R1.73 O=Cc1cc(ccc1SCCO)F 62a_100011218309_100000211926 [1,1,0,0,0,0|2,0,0]=4 1684 B13R1.73 O=Cc1cc(ccc1SCCO)O 62a_100000211926_100000690577 [1,1,0,0,0,0|2,0,0]=4 1685 B13R1.73 O=Cc1cc(ccc1SCCO)O 62a_100000690577_100000211926 [1,1,0,0,0,0|2,0,0]=4 1686 B13R1.84 C#CCCSc1ccccc1C=O 62a_100000210073_100000688953 [1,1,0,0,0,0|1,0,1]=4 1687 B13R1.84 C#CCCSc1ccccc1C=O 62a_100000688953_100000210073 [1,1,0,0,0,0|1,0,1]=4 1688 B13R1.84 C/C=C/CSc1ccccc1C=O 62a_100000210073_100102629194 [1,1,0,0,0,0|1,0,1]=4 1689 B13R1.84 C/C=C/CSc1ccccc1C=O 62a_100102629194_100000210073 [1,1,0,0,0,0|1,0,1]=4 1690 B13R1.84 C=CCCSc1ccccc1C=O 62a_100000210073_100000754431 [1,1,0,0,0,0|1,0,1]=4 1691 B13R1.84 C=CCCSc1ccccc1C=O 62a_100000754431_100000210073 [1,1,0,0,0,0|1,0,1]=4 1692 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [1,1,0,0,0,0|2,0,0]=4 1693 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [1,1,0,0,0,0|2,0,0]=4 1694 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [1,1,0,0,0,0|2,0,0]=4 1695 B13R1.84 C=Cc1ccccc1SCCCF 62a_100011218376_100011934791 [1,1,0,0,0,0|2,0,0]=4 1696 B13R1.84 C=Cc1ccccc1SCCCF 62a_100011934791_100011218376 [1,1,0,0,0,0|2,0,0]=4 1697 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011215043_100011218376 [1,1,0,0,0,0|2,0,0]=4 1698 B13R1.84 C=Cc1ccccc1SCCCO 62a_100011218376_100011215043 [1,1,0,0,0,0|2,0,0]=4 1699 B13R1.84 C=Cc1ccccc1SCCOC 271570a_100011290941_200016336083 [1,1,0,0,0,0|2,0,0]=4 1700 B13R1.84 C=Cc1ccccc1SCCOC 62a_100000233755_100011218376 [1,1,0,0,0,0|2,0,0]=4 1701 B13R1.84 C=Cc1ccccc1SCCOC 62a_100011218376_100000233755 [1,1,0,0,0,0|2,0,0]=4 1702 B13R1.84 C=Cc1ccccc1SCCSC 62a_100000212216_100011218376 [1,1,0,0,0,0|2,0,0]=4 1703 B13R1.84 C=Cc1ccccc1SCCSC 62a_100011218376_100000751147 [1,1,0,0,0,0|2,0,0]=4 1704 B13R1.84 C=Cc1ccccc1SCOCC 62a_100000739092_100011218376 [1,1,0,0,0,0|2,0,0]=4 1705 B13R1.84 C=Cc1ccccc1SCOCC 62a_100011218376_100000739092 [1,1,0,0,0,0|2,0,0]=4 1706 B13R1.84 CC#CCSc1ccccc1C=O 62a_100000210073_100000748600 [1,1,0,0,0,0|1,0,1]=4 1707 B13R1.84 CC#CCSc1ccccc1C=O 62a_100000748600_100000210073 [1,1,0,0,0,0|1,0,1]=4 1708 B13R1.84 CC=CCSc1ccccc1C=O 62a_100000070051_100000210073 [1,1,0,0,0,0|1,0,1]=4 1709 B13R1.84 CC=CCSc1ccccc1C=O 62a_100000210073_100000070051 [1,1,0,0,0,0|1,0,1]=4 1710 B13R1.84 CCCC=Cc1ccccc1C=O 271570a_100016258520_100000211189 [1,1,0,0,0,0|2,0,0]=4 1711 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [1,1,0,0,0,0|1,0,0]=3 1712 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [1,1,0,0,0,0|1,0,0]=3 1713 B13R1.84 CCCCSc1ccccc1CO 62a_100000187465_100000210210 [1,1,0,0,0,0|1,0,1]=4 1714 B13R1.84 CCCCSc1ccccc1CO 62a_100000210211_100000187465 [1,1,0,0,0,0|1,0,1]=4 1715 B13R1.84 CCCCSc1cccnc1C=O 62a_100000210211_100011934733 [1,1,0,0,0,0|2,0,0]=4 1716 B13R1.84 CCCCSc1cccnc1C=O 62a_100011934733_100000210210 [1,1,0,0,0,0|2,0,0]=4 1717 B13R1.84 CCCCSc1ccncc1C=O 62a_100000050567_100000210210 [1,1,0,0,0,0|2,0,0]=4 1718 B13R1.84 CCCCSc1ccncc1C=O 62a_100000210211_100000050567 [1,1,0,0,0,0|2,0,0]=4 1719 B13R1.84 CCCCSc1cnccc1C=O 62a_100000210211_100011934409 [1,1,0,0,0,0|2,0,0]=4 1720 B13R1.84 CCCCSc1cnccc1C=O 62a_100011934409_100000210210 [1,1,0,0,0,0|2,0,0]=4 1721 B13R1.84 CCCCSc1ncccc1C=O 62a_100000210211_100009816751 [1,1,0,0,0,0|2,0,0]=4 1722 B13R1.84 CCCCSc1ncccc1C=O 62a_100009816751_100000210210 [1,1,0,0,0,0|2,0,0]=4 1723 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [1,1,0,0,0,0|1,1,0]=4 1724 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [1,1,0,0,0,0|1,0,0]=3 1725 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [1,1,0,0,0,0|1,0,0]=3 1726 B13R1.84 CCCSCc1ccccc1CO 62a_100000210303_100009816955 [1,1,0,0,0,0|1,0,1]=4 1727 B13R1.84 CCCSCc1ccccc1CO 62a_100009816955_100000210303 [1,1,0,0,0,0|1,0,1]=4 1728 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [1,1,0,0,0,0|2,0,0]=4 1729 B13R1.84 CCOC=Cc1ccccc1C=O 271570a_100016256518_100000211189 [1,1,0,0,0,0|2,0,0]=4 1730 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [1,1,0,0,0,0|2,0,0]=4 1731 B13R1.84 CCOCSc1ccccc1C=O 62a_100000210073_100000739092 [1,1,0,0,0,0|1,0,0]=3 1732 B13R1.84 CCOCSc1ccccc1C=O 62a_100000739092_100000210073 [1,1,0,0,0,0|1,0,0]=3 1733 B13R1.84 CCOCSc1ccccc1CO 62a_100000187465_100000739092 [1,1,0,0,0,0|1,0,1]=4 1734 B13R1.84 CCOCSc1ccccc1CO 62a_100000739092_100000187465 [1,1,0,0,0,0|1,0,1]=4 1735 B13R1.84 CCOCSc1cccnc1C=O 62a_100000739092_100011934733 [1,1,0,0,0,0|2,0,0]=4 1736 B13R1.84 CCOCSc1cccnc1C=O 62a_100011934733_100000739092 [1,1,0,0,0,0|2,0,0]=4 1737 B13R1.84 CCOCSc1ccncc1C=O 62a_100000050567_100000739092 [1,1,0,0,0,0|2,0,0]=4 1738 B13R1.84 CCOCSc1ccncc1C=O 62a_100000739092_100000050567 [1,1,0,0,0,0|2,0,0]=4 1739 B13R1.84 CCOCSc1cnccc1C=O 62a_100000739092_100011934409 [1,1,0,0,0,0|2,0,0]=4 1740 B13R1.84 CCOCSc1cnccc1C=O 62a_100011934409_100000739092 [1,1,0,0,0,0|2,0,0]=4 1741 B13R1.84 CCOCSc1ncccc1C=O 62a_100000739092_100009816751 [1,1,0,0,0,0|2,0,0]=4 1742 B13R1.84 CCOCSc1ncccc1C=O 62a_100009816751_100000739092 [1,1,0,0,0,0|2,0,0]=4 1743 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [1,1,0,0,0,0|2,0,0]=4 1744 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [1,1,0,0,0,0|2,0,0]=4 1745 B13R1.84 CNCCOc1ccccc1C=O 2230a_106832991635_100009990610 [1,1,0,0,0,0|1,1,0]=4 1746 B13R1.84 CNCCOc1ccccc1C=O 34a_100102657272_100009990610 [1,1,0,0,0,0|1,1,0]=4 1747 B13R1.84 CNCCOc1ccccc1C=O 7a_106832991635_100009990610 [1,1,0,0,0,0|1,1,0]=4 1748 B13R1.84 COCC=Cc1ccccc1C=O 271570a_100016286323_100000211189 [1,1,0,0,0,0|2,0,0]=4 1749 B13R1.84 COCCOc1ccccc1C=O 34a_100138415774_100009990610 [1,1,0,0,0,0|1,1,0]=4 1750 B13R1.84 COCCSc1ccccc1C=O 62a_100000210073_100000233755 [1,1,0,0,0,0|1,0,0]=3 1751 B13R1.84 COCCSc1ccccc1C=O 62a_100000233755_100000210073 [1,1,0,0,0,0|1,0,0]=3 1752 B13R1.84 COCCSc1ccccc1CO 62a_100000187465_100000233755 [1,1,0,0,0,0|1,0,1]=4 1753 B13R1.84 COCCSc1ccccc1CO 62a_100000233755_100000187465 [1,1,0,0,0,0|1,0,1]=4 1754 B13R1.84 COCCSc1cccnc1C=O 62a_100000233755_100011934733 [1,1,0,0,0,0|2,0,0]=4 1755 B13R1.84 COCCSc1cccnc1C=O 62a_100011934733_100000233755 [1,1,0,0,0,0|2,0,0]=4 1756 B13R1.84 COCCSc1ccncc1C=O 62a_100000050567_100000233755 [1,1,0,0,0,0|2,0,0]=4 1757 B13R1.84 COCCSc1ccncc1C=O 62a_100000233755_100000050567 [1,1,0,0,0,0|2,0,0]=4 1758 B13R1.84 COCCSc1cnccc1C=O 62a_100000233755_100011934409 [1,1,0,0,0,0|2,0,0]=4 1759 B13R1.84 COCCSc1cnccc1C=O 62a_100011934409_100000233755 [1,1,0,0,0,0|2,0,0]=4 1760 B13R1.84 COCCSc1ncccc1C=O 62a_100000233755_100009816751 [1,1,0,0,0,0|2,0,0]=4 1761 B13R1.84 COCCSc1ncccc1C=O 62a_100009816751_100000233755 [1,1,0,0,0,0|2,0,0]=4 1762 B13R1.84 COCSCc1ccccc1C=O 62a_100000766300_200009853537 [1,1,0,0,0,0|2,0,0]=4 1763 B13R1.84 COCSCc1ccccc1C=O 62a_200009853537_100000766300 [1,1,0,0,0,0|2,0,0]=4 1764 B13R1.84 CSCCOc1ccccc1C=O 62a_100009990610_200000210301 [1,1,0,0,0,0|1,1,0]=4 1765 B13R1.84 CSCCOc1ccccc1C=O 62a_200000210301_100009990610 [1,1,0,0,0,0|1,1,0]=4 1766 B13R1.84 CSCCSc1ccccc1C=O 62a_100000210073_100000751147 [1,1,0,0,0,0|1,0,0]=3 1767 B13R1.84 CSCCSc1ccccc1C=O 62a_100000212216_100000210073 [1,1,0,0,0,0|1,0,0]=3 1768 B13R1.84 CSCCSc1ccccc1CO 62a_100000187465_100000751147 [1,1,0,0,0,0|1,0,1]=4 1769 B13R1.84 CSCCSc1ccccc1CO 62a_100000212216_100000187465 [1,1,0,0,0,0|1,0,1]=4 1770 B13R1.84 CSCCSc1cccnc1C=O 62a_100000212216_100011934733 [1,1,0,0,0,0|2,0,0]=4 1771 B13R1.84 CSCCSc1cccnc1C=O 62a_100011934733_100000751147 [1,1,0,0,0,0|2,0,0]=4 1772 B13R1.84 CSCCSc1ccncc1C=O 62a_100000050567_100000751147 [1,1,0,0,0,0|2,0,0]=4 1773 B13R1.84 CSCCSc1ccncc1C=O 62a_100000212216_100000050567 [1,1,0,0,0,0|2,0,0]=4 1774 B13R1.84 CSCCSc1cnccc1C=O 62a_100000212216_100011934409 [1,1,0,0,0,0|2,0,0]=4 1775 B13R1.84 CSCCSc1cnccc1C=O 62a_100011934409_100000751147 [1,1,0,0,0,0|2,0,0]=4 1776 B13R1.84 CSCCSc1ncccc1C=O 62a_100000212216_100009816751 [1,1,0,0,0,0|2,0,0]=4 1777 B13R1.84 CSCCSc1ncccc1C=O 62a_100009816751_100000751147 [1,1,0,0,0,0|2,0,0]=4 1778 B13R1.84 CSCSCc1ccccc1C=O 62a_100011218213_200009853537 [1,1,0,0,0,0|2,0,0]=4 1779 B13R1.84 CSCSCc1ccccc1C=O 62a_200009853537_100011218213 [1,1,0,0,0,0|2,0,0]=4 1780 B13R1.84 N#CCCSc1ccccc1C=O 62a_100000210073_100011215226 [1,1,0,0,0,0|1,0,1]=4 1781 B13R1.84 N#CCCSc1ccccc1C=O 62a_100011215226_100000210073 [1,1,0,0,0,0|1,0,1]=4 1782 B13R1.84 NCCOCc1ccccc1C=O 34a_100000210304_200009853537 [1,1,0,0,0,0|2,0,0]=4 1783 B13R1.84 O=Cc1ccccc1CNCCF 34a_100000724931_200009853537 [1,1,0,0,0,0|2,0,0]=4 1784 B13R1.84 O=Cc1ccccc1CNCCO 2230a_100016997473_200009853537 [1,1,0,0,0,0|2,0,0]=4 1785 B13R1.84 O=Cc1ccccc1CNCCO 34a_100016990907_200009853537 [1,1,0,0,0,0|2,0,0]=4 1786 B13R1.84 O=Cc1ccccc1COCCBr 34a_100000211926_200009853537 [1,1,0,0,0,0|2,0,0]=4 1787 B13R1.84 O=Cc1ccccc1CSCCF 62a_100011217306_200009853537 [1,1,0,0,0,0|2,0,0]=4 1788 B13R1.84 O=Cc1ccccc1CSCCF 62a_200009853537_100011217306 [1,1,0,0,0,0|2,0,0]=4 1789 B13R1.84 O=Cc1ccccc1CSCCO 62a_100000211926_200009853537 [1,1,0,0,0,0|2,0,0]=4 1790 B13R1.84 O=Cc1ccccc1CSCCO 62a_200009853537_100000211926 [1,1,0,0,0,0|2,0,0]=4 1791 B13R1.84 O=Cc1ccccc1SCCCF 62a_100000210073_100011934791 [1,1,0,0,0,0|1,0,0]=3 1792 B13R1.84 O=Cc1ccccc1SCCCF 62a_100011934791_100000210073 [1,1,0,0,0,0|1,0,0]=3 1793 B13R1.84 O=Cc1ccccc1SCCCO 62a_100000210073_100011215043 [1,1,0,0,0,0|1,0,0]=3 1794 B13R1.84 O=Cc1ccccc1SCCCO 62a_100011215043_100000210073 [1,1,0,0,0,0|1,0,0]=3 1795 B13R1.84 O=Cc1cccnc1SCCCF 62a_100009816751_100011934791 [1,1,0,0,0,0|2,0,0]=4 1796 B13R1.84 O=Cc1cccnc1SCCCF 62a_100011934791_100009816751 [1,1,0,0,0,0|2,0,0]=4 1797 B13R1.84 O=Cc1cccnc1SCCCO 62a_100009816751_100011215043 [1,1,0,0,0,0|2,0,0]=4 1798 B13R1.84 O=Cc1cccnc1SCCCO 62a_100011215043_100009816751 [1,1,0,0,0,0|2,0,0]=4 1799 B13R1.84 O=Cc1ccncc1SCCCF 62a_100011934409_100011934791 [1,1,0,0,0,0|2,0,0]=4 1800 B13R1.84 O=Cc1ccncc1SCCCF 62a_100011934791_100011934409 [1,1,0,0,0,0|2,0,0]=4 1801 B13R1.84 O=Cc1ccncc1SCCCO 62a_100011215043_100011934409 [1,1,0,0,0,0|2,0,0]=4 1802 B13R1.84 O=Cc1ccncc1SCCCO 62a_100011934409_100011215043 [1,1,0,0,0,0|2,0,0]=4 1803 B13R1.84 O=Cc1cnccc1SCCCF 62a_100000050567_100011934791 [1,1,0,0,0,0|2,0,0]=4 1804 B13R1.84 O=Cc1cnccc1SCCCF 62a_100011934791_100000050567 [1,1,0,0,0,0|2,0,0]=4 1805 B13R1.84 O=Cc1cnccc1SCCCO 62a_100000050567_100011215043 [1,1,0,0,0,0|2,0,0]=4 1806 B13R1.84 O=Cc1cnccc1SCCCO 62a_100011215043_100000050567 [1,1,0,0,0,0|2,0,0]=4 1807 B13R1.84 O=Cc1ncccc1SCCCF 62a_100011934733_100011934791 [1,1,0,0,0,0|2,0,0]=4 1808 B13R1.84 O=Cc1ncccc1SCCCF 62a_100011934791_100011934733 [1,1,0,0,0,0|2,0,0]=4 1809 B13R1.84 O=Cc1ncccc1SCCCO 62a_100011215043_100011934733 [1,1,0,0,0,0|2,0,0]=4 1810 B13R1.84 O=Cc1ncccc1SCCCO 62a_100011934733_100011215043 [1,1,0,0,0,0|2,0,0]=4 1811 B13R1.84 OCCCSc1ccccc1CO 62a_100000187465_100011215043 [1,1,0,0,0,0|1,0,1]=4 1812 B13R1.84 OCCCSc1ccccc1CO 62a_100011215043_100000187465 [1,1,0,0,0,0|1,0,1]=4 1813 B13R1.84 OCc1ccccc1SCCCF 62a_100000187465_100011934791 [1,1,0,0,0,0|1,0,1]=4 1814 B13R1.84 OCc1ccccc1SCCCF 62a_100011934791_100000187465 [1,1,0,0,0,0|1,0,1]=4 1815 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_100009990610_200025704644 [1,1,0,0,0,0|1,1,0]=4 1816 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_200025704644_100009990610 [1,1,0,0,0,0|1,1,0]=4 1817 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000210073_100000211660 [1,1,0,0,0,0|1,0,1]=4 1818 B13R1.90 C=C(C)CSc1ccccc1C=O 62a_100000748629_100000210073 [1,1,0,0,0,0|1,0,1]=4 1819 B13R1.90 C=Cc1ccccc1SCC(C)C 62a_100000210624_100011218376 [1,1,0,0,0,0|2,0,0]=4 1820 B13R1.90 C=Cc1ccccc1SCC(C)C 62a_100011218376_100000210760 [1,1,0,0,0,0|2,0,0]=4 1821 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218376_100011218427 [1,1,0,0,0,0|2,0,0]=4 1822 B13R1.90 C=Cc1ccccc1SCC(C)O 62a_100011218427_100011218376 [1,1,0,0,0,0|2,0,0]=4 1823 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100011218376 [1,1,0,0,0,0|2,0,0]=4 1824 B13R1.90 C=Cc1ccccc1SC[C@@H](C)O 62a_100011218376_100009817552 [1,1,0,0,0,0|2,0,0]=4 1825 B13R1.90 CC(C)C=Cc1ccccc1C=O 271570a_100016257149_100000211189 [1,1,0,0,0,0|2,0,0]=4 1826 B13R1.90 CC(C)CSc1ccccc1C=O 62a_100000210073_100000210760 [1,1,0,0,0,0|1,0,0]=3 1827 B13R1.90 CC(C)CSc1ccccc1C=O 62a_100000210624_100000210073 [1,1,0,0,0,0|1,0,0]=3 1828 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000187465_100000210760 [1,1,0,0,0,0|1,0,1]=4 1829 B13R1.90 CC(C)CSc1ccccc1CO 62a_100000210624_100000187465 [1,1,0,0,0,0|1,0,1]=4 1830 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100000210624_100011934733 [1,1,0,0,0,0|2,0,0]=4 1831 B13R1.90 CC(C)CSc1cccnc1C=O 62a_100011934733_100000210760 [1,1,0,0,0,0|2,0,0]=4 1832 B13R1.90 CC(C)CSc1ccncc1C=O 62a_100000050567_100000210760 [1,1,0,0,0,0|2,0,0]=4 1833 B13R1.90 CC(C)CSc1ccncc1C=O 62a_100000210624_100000050567 [1,1,0,0,0,0|2,0,0]=4 1834 B13R1.90 CC(C)CSc1cnccc1C=O 62a_100000210624_100011934409 [1,1,0,0,0,0|2,0,0]=4 1835 B13R1.90 CC(C)CSc1cnccc1C=O 62a_100011934409_100000210760 [1,1,0,0,0,0|2,0,0]=4 1836 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100000210624_100009816751 [1,1,0,0,0,0|2,0,0]=4 1837 B13R1.90 CC(C)CSc1ncccc1C=O 62a_100009816751_100000210760 [1,1,0,0,0,0|2,0,0]=4 1838 B13R1.90 CC(C)NCc1ccccc1C=O 2230a_100138425928_200009853537 [1,1,0,0,0,0|2,0,0]=4 1839 B13R1.90 CC(C)NCc1ccccc1C=O 34a_100138425928_200009853537 [1,1,0,0,0,0|2,0,0]=4 1840 B13R1.90 CC(C)OCc1ccccc1C=O 34a_100000212225_200009853537 [1,1,0,0,0,0|2,0,0]=4 1841 B13R1.90 CC(C)SCc1ccccc1C=O 62a_100000210206_200009853537 [1,1,0,0,0,0|2,0,0]=4 1842 B13R1.90 CC(C)SCc1ccccc1C=O 62a_200009853537_100000210206 [1,1,0,0,0,0|2,0,0]=4 1843 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [1,1,0,0,0,0|2,0,0]=4 1844 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100000210073_100011218427 [1,1,0,0,0,0|1,0,0]=3 1845 B13R1.90 CC(O)CSc1ccccc1C=O 62a_100011218427_100000210073 [1,1,0,0,0,0|1,0,0]=3 1846 B13R1.90 CC(O)CSc1ccccc1CO 62a_100000187465_100011218427 [1,1,0,0,0,0|1,0,1]=4 1847 B13R1.90 CC(O)CSc1ccccc1CO 62a_100011218427_100000187465 [1,1,0,0,0,0|1,0,1]=4 1848 B13R1.90 CC(O)CSc1cccnc1C=O 62a_100011218427_100011934733 [1,1,0,0,0,0|2,0,0]=4 1849 B13R1.90 CC(O)CSc1cccnc1C=O 62a_100011934733_100011218427 [1,1,0,0,0,0|2,0,0]=4 1850 B13R1.90 CC(O)CSc1ccncc1C=O 62a_100000050567_100011218427 [1,1,0,0,0,0|2,0,0]=4 1851 B13R1.90 CC(O)CSc1ccncc1C=O 62a_100011218427_100000050567 [1,1,0,0,0,0|2,0,0]=4 1852 B13R1.90 CC(O)CSc1cnccc1C=O 62a_100011218427_100011934409 [1,1,0,0,0,0|2,0,0]=4 1853 B13R1.90 CC(O)CSc1cnccc1C=O 62a_100011934409_100011218427 [1,1,0,0,0,0|2,0,0]=4 1854 B13R1.90 CC(O)CSc1ncccc1C=O 62a_100009816751_100011218427 [1,1,0,0,0,0|2,0,0]=4 1855 B13R1.90 CC(O)CSc1ncccc1C=O 62a_100011218427_100009816751 [1,1,0,0,0,0|2,0,0]=4 1856 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100000210073_100009817552 [1,1,0,0,0,0|1,0,0]=3 1857 B13R1.90 C[C@@H](O)CSc1ccccc1C=O 62a_100009817552_100000210073 [1,1,0,0,0,0|1,0,0]=3 1858 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100000187465_100009817552 [1,1,0,0,0,0|1,0,1]=4 1859 B13R1.90 C[C@@H](O)CSc1ccccc1CO 62a_100009817552_100000187465 [1,1,0,0,0,0|1,0,1]=4 1860 B13R1.90 C[C@@H](O)CSc1cccnc1C=O 62a_100009817552_100011934733 [1,1,0,0,0,0|2,0,0]=4 1861 B13R1.90 C[C@@H](O)CSc1cccnc1C=O 62a_100011934733_100009817552 [1,1,0,0,0,0|2,0,0]=4 1862 B13R1.90 C[C@@H](O)CSc1ccncc1C=O 62a_100000050567_100009817552 [1,1,0,0,0,0|2,0,0]=4 1863 B13R1.90 C[C@@H](O)CSc1ccncc1C=O 62a_100009817552_100000050567 [1,1,0,0,0,0|2,0,0]=4 1864 B13R1.90 C[C@@H](O)CSc1cnccc1C=O 62a_100009817552_100011934409 [1,1,0,0,0,0|2,0,0]=4 1865 B13R1.90 C[C@@H](O)CSc1cnccc1C=O 62a_100011934409_100009817552 [1,1,0,0,0,0|2,0,0]=4 1866 B13R1.90 C[C@@H](O)CSc1ncccc1C=O 62a_100009816751_100009817552 [1,1,0,0,0,0|2,0,0]=4 1867 B13R1.90 C[C@@H](O)CSc1ncccc1C=O 62a_100009817552_100009816751 [1,1,0,0,0,0|2,0,0]=4 1868 B13R1.90 O=Cc1ccccc1SCC(F)F 62a_100000210073_100011934356 [1,1,0,0,0,0|2,0,0]=4 1869 B13R1.90 O=Cc1ccccc1SCC(F)F 62a_100011934356_100000210073 [1,1,0,0,0,0|2,0,0]=4 1870 B13R1.91 C=Cc1ccccc1SC(C)CC 62a_100000758301_100011218376 [1,1,0,0,0,0|2,0,0]=4 1871 B13R1.91 C=Cc1ccccc1SC(C)CC 62a_100011218376_100000758301 [1,1,0,0,0,0|2,0,0]=4 1872 B13R1.91 CC(CO)Sc1ccccc1C=O 62a_100012180447_100000210073 [1,1,0,0,0,0|2,0,0]=4 1873 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [1,1,0,0,0,0|2,0,0]=4 1874 B13R1.91 CCC(C)Sc1ccccc1C=O 62a_100000210073_100000758301 [1,1,0,0,0,0|1,0,0]=3 1875 B13R1.91 CCC(C)Sc1ccccc1C=O 62a_100000758301_100000210073 [1,1,0,0,0,0|1,0,0]=3 1876 B13R1.91 CCC(C)Sc1ccccc1CO 62a_100000187465_100000758301 [1,1,0,0,0,0|1,0,1]=4 1877 B13R1.91 CCC(C)Sc1ccccc1CO 62a_100000758301_100000187465 [1,1,0,0,0,0|1,0,1]=4 1878 B13R1.91 CCC(C)Sc1cccnc1C=O 62a_100000758301_100011934733 [1,1,0,0,0,0|2,0,0]=4 1879 B13R1.91 CCC(C)Sc1cccnc1C=O 62a_100011934733_100000758301 [1,1,0,0,0,0|2,0,0]=4 1880 B13R1.91 CCC(C)Sc1ccncc1C=O 62a_100000050567_100000758301 [1,1,0,0,0,0|2,0,0]=4 1881 B13R1.91 CCC(C)Sc1ccncc1C=O 62a_100000758301_100000050567 [1,1,0,0,0,0|2,0,0]=4 1882 B13R1.91 CCC(C)Sc1cnccc1C=O 62a_100000758301_100011934409 [1,1,0,0,0,0|2,0,0]=4 1883 B13R1.91 CCC(C)Sc1cnccc1C=O 62a_100011934409_100000758301 [1,1,0,0,0,0|2,0,0]=4 1884 B13R1.91 CCC(C)Sc1ncccc1C=O 62a_100000758301_100009816751 [1,1,0,0,0,0|2,0,0]=4 1885 B13R1.91 CCC(C)Sc1ncccc1C=O 62a_100009816751_100000758301 [1,1,0,0,0,0|2,0,0]=4 1886 B13R1.91 CCN(C)Cc1ccccc1C=O 2230a_100000225621_200009853537 [1,1,0,0,0,0|2,0,0]=4 1887 B13R1.91 CCN(C)Cc1ccccc1C=O 269982a_100000225621_200009853537 [1,1,0,0,0,0|2,0,0]=4 1888 B13R1.91 COC(C)Sc1ccccc1C=O 62a_100000210073_100009879195 [1,1,0,0,0,0|2,0,0]=4 1889 B13R1.91 COC(C)Sc1ccccc1C=O 62a_100009879195_100000210073 [1,1,0,0,0,0|2,0,0]=4 1890 B13R1.91 C[C@H](CO)Sc1ccccc1C=O 62a_100000210073_100016084084 [1,1,0,0,0,0|2,0,0]=4 1891 B13R1.91 C[C@H](CO)Sc1ccccc1C=O 62a_100016084084_100000210073 [1,1,0,0,0,0|2,0,0]=4 1892 B13R1.485 C=CCc1ccccc1SCCC 62a_100000210303_100009828059 [1,1,0,0,0,0|2,0,0]=4 1893 B13R1.485 C=CCc1ccccc1SCCC 62a_100009828059_100000210303 [1,1,0,0,0,0|2,0,0]=4 1894 B13R1.485 CCCSc1ccccc1CCO 62a_100000210303_100000731337 [1,1,0,0,0,0|1,0,1]=4 1895 B13R1.485 CCCSc1ccccc1CCO 62a_100000731337_100000210303 [1,1,0,0,0,0|1,0,1]=4 1896 B13R1.485 CCCSc1ccccc1COC 62a_100000210303_100011493684 [1,1,0,0,0,0|1,0,1]=4 1897 B13R1.485 CCCSc1ccccc1COC 62a_100011493684_100000210303 [1,1,0,0,0,0|1,0,1]=4 1898 B13R1.485 CCCSc1ccccc1NC=O 62a_100000210303_200020615051 [1,1,0,0,0,0|1,0,0]=3 1899 B13R1.485 CCCSc1ccccc1NC=O 62a_200020615051_100000210303 [1,1,0,0,0,0|1,0,0]=3 1900 B13R1.485 COCSc1ccccc1NC=O 62a_100000766300_200020615051 [1,1,0,0,0,0|2,0,0]=4 1901 B13R1.485 COCSc1ccccc1NC=O 62a_200020615051_100000766300 [1,1,0,0,0,0|2,0,0]=4 1902 B13R1.485 CSCSc1ccccc1NC=O 62a_100011218213_200020615051 [1,1,0,0,0,0|2,0,0]=4 1903 B13R1.485 CSCSc1ccccc1NC=O 62a_200020615051_100011218213 [1,1,0,0,0,0|2,0,0]=4 1904 B13R1.485 O=CNc1ccccc1SCCF 62a_100011217306_200020615051 [1,1,0,0,0,0|2,0,0]=4 1905 B13R1.485 O=CNc1ccccc1SCCF 62a_200020615051_100011217306 [1,1,0,0,0,0|2,0,0]=4 1906 B13R1.485 O=CNc1ccccc1SCCO 62a_100000211926_200020615051 [1,1,0,0,0,0|2,0,0]=4 1907 B13R1.485 O=CNc1ccccc1SCCO 62a_200020615051_100000211926 [1,1,0,0,0,0|2,0,0]=4 1908 B13R1.556 C=Cc1ccc(cc1SCCC)F 62a_100000210303_100012354420 [1,1,0,0,0,0|2,0,0]=4 1909 B13R1.556 C=Cc1ccc(cc1SCCC)F 62a_100012354420_100000210303 [1,1,0,0,0,0|2,0,0]=4 1910 B13R1.556 CCCCc1cc(ccc1C=O)Br 271570a_100020621405_100010146562 [1,1,0,0,0,0|2,0,0]=4 1911 B13R1.556 CCCCc1cc(ccc1C=O)C 271570a_100020621405_100000692596 [1,1,0,0,0,0|2,0,0]=4 1912 B13R1.556 CCCCc1cc(ccc1C=O)F 271570a_100020621405_100000752949 [1,1,0,0,0,0|2,0,0]=4 1913 B13R1.556 CCCCc1cc(ccc1C=O)O 271570a_100020621405_100011236494 [1,1,0,0,0,0|2,0,0]=4 1914 B13R1.556 CCCSc1cc(ccc1C=O)Br 62a_100000210303_100010146562 [1,1,0,0,0,0|1,0,0]=3 1915 B13R1.556 CCCSc1cc(ccc1C=O)Br 62a_100010146562_100000210303 [1,1,0,0,0,0|1,0,0]=3 1916 B13R1.556 CCCSc1cc(ccc1C=O)C 62a_100000210303_100011935181 [1,1,0,0,0,0|1,0,0]=3 1917 B13R1.556 CCCSc1cc(ccc1C=O)C 62a_100011935181_100000210303 [1,1,0,0,0,0|1,0,0]=3 1918 B13R1.556 CCCSc1cc(ccc1C=O)F 62a_100000210303_100000752949 [1,1,0,0,0,0|1,0,0]=3 1919 B13R1.556 CCCSc1cc(ccc1C=O)F 62a_100000752949_100000210303 [1,1,0,0,0,0|1,0,0]=3 1920 B13R1.556 CCCSc1cc(ccc1C=O)O 62a_100000210303_100011236494 [1,1,0,0,0,0|1,0,0]=3 1921 B13R1.556 CCCSc1cc(ccc1C=O)O 62a_100011236494_100000210303 [1,1,0,0,0,0|1,0,0]=3 1922 B13R1.556 CCCSc1cc(ccc1CO)Br 62a_100000210303_100010146605 [1,1,0,0,0,0|1,0,1]=4 1923 B13R1.556 CCCSc1cc(ccc1CO)Br 62a_100010146605_100000210303 [1,1,0,0,0,0|1,0,1]=4 1924 B13R1.556 CCCSc1cc(ccc1CO)Cl 62a_100000210303_100000722340 [1,1,0,0,0,0|1,0,1]=4 1925 B13R1.556 CCCSc1cc(ccc1CO)Cl 62a_100000722340_100000210303 [1,1,0,0,0,0|1,0,1]=4 1926 B13R1.556 CCCSc1cc(ccc1CO)F 62a_100000210303_100000744086 [1,1,0,0,0,0|1,0,1]=4 1927 B13R1.556 CCCSc1cc(ccc1CO)F 62a_100000744086_100000210303 [1,1,0,0,0,0|1,0,1]=4 1928 B13R1.556 CCCSc1cc(ccc1CO)O 62a_100000210303_100010146404 [1,1,0,0,0,0|1,0,1]=4 1929 B13R1.556 CCCSc1cc(ccc1CO)O 62a_100010146404_100000210303 [1,1,0,0,0,0|1,0,1]=4 1930 B13R1.556 CCCSc1cc(ncc1C=O)F 62a_100000210303_100009862493 [1,1,0,0,0,0|2,0,0]=4 1931 B13R1.556 CCCSc1cc(ncc1C=O)F 62a_100009862493_100000210303 [1,1,0,0,0,0|2,0,0]=4 1932 B13R1.556 CCCSc1nc(ccc1C=O)C 62a_100000085379_100000210303 [1,1,0,0,0,0|2,0,0]=4 1933 B13R1.556 CCCSc1nc(ccc1C=O)C 62a_100000210303_100000085379 [1,1,0,0,0,0|2,0,0]=4 1934 B13R1.556 CCCSc1nc(ccc1C=O)F 62a_100000210303_100009846357 [1,1,0,0,0,0|2,0,0]=4 1935 B13R1.556 CCCSc1nc(ccc1C=O)F 62a_100009846357_100000210303 [1,1,0,0,0,0|2,0,0]=4 1936 B13R1.556 CCNCc1cc(ccc1C=O)F 2230a_100015525214_100010132768 [1,1,0,0,0,0|2,0,0]=4 1937 B13R1.556 CCOCc1cc(ccc1C=O)F 34a_100121572206_100010132768 [1,1,0,0,0,0|2,0,0]=4 1938 B13R1.556 CCSCc1cc(ccc1C=O)F 62a_100000210202_100010132768 [1,1,0,0,0,0|2,0,0]=4 1939 B13R1.556 CCSCc1cc(ccc1C=O)F 62a_100010132768_100000210202 [1,1,0,0,0,0|2,0,0]=4 1940 B13R1.556 COCSc1cc(ccc1C=O)Br 62a_100000766300_100010146562 [1,1,0,0,0,0|2,0,0]=4 1941 B13R1.556 COCSc1cc(ccc1C=O)Br 62a_100010146562_100000766300 [1,1,0,0,0,0|2,0,0]=4 1942 B13R1.556 COCSc1cc(ccc1C=O)C 62a_100000766300_100011935181 [1,1,0,0,0,0|2,0,0]=4 1943 B13R1.556 COCSc1cc(ccc1C=O)C 62a_100011935181_100000766300 [1,1,0,0,0,0|2,0,0]=4 1944 B13R1.556 COCSc1cc(ccc1C=O)F 62a_100000752949_100000766300 [1,1,0,0,0,0|2,0,0]=4 1945 B13R1.556 COCSc1cc(ccc1C=O)F 62a_100000766300_100000752949 [1,1,0,0,0,0|2,0,0]=4 1946 B13R1.556 COCSc1cc(ccc1C=O)O 62a_100000766300_100011236494 [1,1,0,0,0,0|2,0,0]=4 1947 B13R1.556 COCSc1cc(ccc1C=O)O 62a_100011236494_100000766300 [1,1,0,0,0,0|2,0,0]=4 1948 B13R1.556 CSCSc1cc(ccc1C=O)Br 62a_100010146562_100011218213 [1,1,0,0,0,0|2,0,0]=4 1949 B13R1.556 CSCSc1cc(ccc1C=O)Br 62a_100011218213_100010146562 [1,1,0,0,0,0|2,0,0]=4 1950 B13R1.556 CSCSc1cc(ccc1C=O)C 62a_100011218213_100011935181 [1,1,0,0,0,0|2,0,0]=4 1951 B13R1.556 CSCSc1cc(ccc1C=O)C 62a_100011935181_100011218213 [1,1,0,0,0,0|2,0,0]=4 1952 B13R1.556 CSCSc1cc(ccc1C=O)F 62a_100000752949_100011218213 [1,1,0,0,0,0|2,0,0]=4 1953 B13R1.556 CSCSc1cc(ccc1C=O)F 62a_100011218213_100000752949 [1,1,0,0,0,0|2,0,0]=4 1954 B13R1.556 CSCSc1cc(ccc1C=O)O 62a_100011218213_100011236494 [1,1,0,0,0,0|2,0,0]=4 1955 B13R1.556 CSCSc1cc(ccc1C=O)O 62a_100011236494_100011218213 [1,1,0,0,0,0|2,0,0]=4 1956 B13R1.556 Cc1ccc(c(c1)SCCF)C=O 62a_100011217306_100011935181 [1,1,0,0,0,0|2,0,0]=4 1957 B13R1.556 Cc1ccc(c(c1)SCCF)C=O 62a_100011935181_100011217306 [1,1,0,0,0,0|2,0,0]=4 1958 B13R1.556 Cc1ccc(c(c1)SCCO)C=O 62a_100000211926_100011935181 [1,1,0,0,0,0|2,0,0]=4 1959 B13R1.556 Cc1ccc(c(c1)SCCO)C=O 62a_100011935181_100000211926 [1,1,0,0,0,0|2,0,0]=4 1960 B13R1.556 O=Cc1ccc(cc1SCCF)Br 62a_100010146562_100011217306 [1,1,0,0,0,0|2,0,0]=4 1961 B13R1.556 O=Cc1ccc(cc1SCCF)Br 62a_100011217306_100010146562 [1,1,0,0,0,0|2,0,0]=4 1962 B13R1.556 O=Cc1ccc(cc1SCCF)F 62a_100000752949_100011217306 [1,1,0,0,0,0|2,0,0]=4 1963 B13R1.556 O=Cc1ccc(cc1SCCF)F 62a_100011217306_100000752949 [1,1,0,0,0,0|2,0,0]=4 1964 B13R1.556 O=Cc1ccc(cc1SCCF)O 62a_100011217306_100011236494 [1,1,0,0,0,0|2,0,0]=4 1965 B13R1.556 O=Cc1ccc(cc1SCCF)O 62a_100011236494_100011217306 [1,1,0,0,0,0|2,0,0]=4 1966 B13R1.556 O=Cc1ccc(cc1SCCO)Br 62a_100000211926_100010146562 [1,1,0,0,0,0|2,0,0]=4 1967 B13R1.556 O=Cc1ccc(cc1SCCO)Br 62a_100010146562_100000211926 [1,1,0,0,0,0|2,0,0]=4 1968 B13R1.556 O=Cc1ccc(cc1SCCO)F 62a_100000211926_100000752949 [1,1,0,0,0,0|2,0,0]=4 1969 B13R1.556 O=Cc1ccc(cc1SCCO)F 62a_100000752949_100000211926 [1,1,0,0,0,0|2,0,0]=4 1970 B13R1.556 O=Cc1ccc(cc1SCCO)O 62a_100000211926_100011236494 [1,1,0,0,0,0|2,0,0]=4 1971 B13R1.556 O=Cc1ccc(cc1SCCO)O 62a_100011236494_100000211926 [1,1,0,0,0,0|2,0,0]=4 1972 B13R1.1619 CCCCc1c(cccc1C=O)F 271570a_100020621405_100011998484 [1,1,0,0,0,0|2,0,0]=4 1973 B13R1.1619 CCCCc1c(cccc1C=O)O 271570a_100020621405_100009816417 [1,1,0,0,0,0|2,0,0]=4 1974 B13R1.1619 CCCSc1c(cccc1C=O)C 62a_100000210303_100012186367 [1,1,0,0,0,0|1,0,0]=3 1975 B13R1.1619 CCCSc1c(cccc1C=O)C 62a_100012186367_100000210303 [1,1,0,0,0,0|1,0,0]=3 1976 B13R1.1619 CCCSc1c(cccc1C=O)F 62a_100000210303_100011934749 [1,1,0,0,0,0|1,0,0]=3 1977 B13R1.1619 CCCSc1c(cccc1C=O)F 62a_100011934749_100000210303 [1,1,0,0,0,0|1,0,0]=3 1978 B13R1.1619 CCCSc1c(cccc1C=O)O 62a_100000210303_100009816417 [1,1,0,0,0,0|1,0,0]=3 1979 B13R1.1619 CCCSc1c(cccc1C=O)O 62a_100009816417_100000210303 [1,1,0,0,0,0|1,0,0]=3 1980 B13R1.1619 CCCSc1c(cccc1CO)Br 62a_100000210303_100010146604 [1,1,0,0,0,0|1,0,1]=4 1981 B13R1.1619 CCCSc1c(cccc1CO)Br 62a_100010146604_100000210303 [1,1,0,0,0,0|1,0,1]=4 1982 B13R1.1619 CCCSc1c(cccc1CO)C 62a_100000210303_100011659289 [1,1,0,0,0,0|1,0,1]=4 1983 B13R1.1619 CCCSc1c(cccc1CO)C 62a_100011659289_100000210303 [1,1,0,0,0,0|1,0,1]=4 1984 B13R1.1619 CCCSc1c(cccc1CO)F 62a_100000210303_100012351117 [1,1,0,0,0,0|1,0,1]=4 1985 B13R1.1619 CCCSc1c(cccc1CO)F 62a_100012351117_100000210303 [1,1,0,0,0,0|1,0,1]=4 1986 B13R1.1619 CCCSc1c(ccnc1F)C=O 62a_100000210303_100009856171 [1,1,0,0,0,0|2,0,0]=4 1987 B13R1.1619 CCCSc1c(ccnc1F)C=O 62a_100009856171_100000210303 [1,1,0,0,0,0|2,0,0]=4 1988 B13R1.1619 CCNCc1c(cccc1C=O)F 2230a_100015525214_100010132767 [1,1,0,0,0,0|2,0,0]=4 1989 B13R1.1619 CCOCc1c(cccc1C=O)F 34a_100121572206_100010132767 [1,1,0,0,0,0|2,0,0]=4 1990 B13R1.1619 CCSCc1c(cccc1C=O)F 62a_100000210202_100010132767 [1,1,0,0,0,0|2,0,0]=4 1991 B13R1.1619 CCSCc1c(cccc1C=O)F 62a_100010132767_100000210202 [1,1,0,0,0,0|2,0,0]=4 1992 B13R1.1619 COCSc1c(cccc1C=O)C 62a_100000766300_100012186367 [1,1,0,0,0,0|2,0,0]=4 1993 B13R1.1619 COCSc1c(cccc1C=O)C 62a_100012186367_100000766300 [1,1,0,0,0,0|2,0,0]=4 1994 B13R1.1619 COCSc1c(cccc1C=O)F 62a_100000766300_100011934749 [1,1,0,0,0,0|2,0,0]=4 1995 B13R1.1619 COCSc1c(cccc1C=O)F 62a_100011934749_100000766300 [1,1,0,0,0,0|2,0,0]=4 1996 B13R1.1619 COCSc1c(cccc1C=O)O 62a_100000766300_100009816417 [1,1,0,0,0,0|2,0,0]=4 1997 B13R1.1619 COCSc1c(cccc1C=O)O 62a_100009816417_100000766300 [1,1,0,0,0,0|2,0,0]=4 1998 B13R1.1619 CSCSc1c(cccc1C=O)C 62a_100011218213_100012186367 [1,1,0,0,0,0|2,0,0]=4 1999 B13R1.1619 CSCSc1c(cccc1C=O)C 62a_100012186367_100011218213 [1,1,0,0,0,0|2,0,0]=4 2000 B13R1.1619 CSCSc1c(cccc1C=O)F 62a_100011218213_100011934749 [1,1,0,0,0,0|2,0,0]=4 2001 B13R1.1619 CSCSc1c(cccc1C=O)F 62a_100011934749_100011218213 [1,1,0,0,0,0|2,0,0]=4 2002 B13R1.1619 CSCSc1c(cccc1C=O)O 62a_100009816417_100011218213 [1,1,0,0,0,0|2,0,0]=4 2003 B13R1.1619 CSCSc1c(cccc1C=O)O 62a_100011218213_100009816417 [1,1,0,0,0,0|2,0,0]=4 2004 B13R1.1619 Cc1cccc(c1SCCF)C=O 62a_100011217306_100012186367 [1,1,0,0,0,0|2,0,0]=4 2005 B13R1.1619 Cc1cccc(c1SCCF)C=O 62a_100012186367_100011217306 [1,1,0,0,0,0|2,0,0]=4 2006 B13R1.1619 Cc1cccc(c1SCCO)C=O 62a_100000211926_100012186367 [1,1,0,0,0,0|2,0,0]=4 2007 B13R1.1619 Cc1cccc(c1SCCO)C=O 62a_100012186367_100000211926 [1,1,0,0,0,0|2,0,0]=4 2008 B13R1.1619 O=Cc1cccc(c1SCCF)F 62a_100011217306_100011934749 [1,1,0,0,0,0|2,0,0]=4 2009 B13R1.1619 O=Cc1cccc(c1SCCF)F 62a_100011934749_100011217306 [1,1,0,0,0,0|2,0,0]=4 2010 B13R1.1619 O=Cc1cccc(c1SCCF)O 62a_100009816417_100011217306 [1,1,0,0,0,0|2,0,0]=4 2011 B13R1.1619 O=Cc1cccc(c1SCCF)O 62a_100011217306_100009816417 [1,1,0,0,0,0|2,0,0]=4 2012 B13R1.1619 O=Cc1cccc(c1SCCO)F 62a_100000211926_100011934749 [1,1,0,0,0,0|2,0,0]=4 2013 B13R1.1619 O=Cc1cccc(c1SCCO)F 62a_100011934749_100000211926 [1,1,0,0,0,0|2,0,0]=4 2014 B13R1.1619 O=Cc1cccc(c1SCCO)O 62a_100000211926_100009816417 [1,1,0,0,0,0|2,0,0]=4 2015 B13R1.1619 O=Cc1cccc(c1SCCO)O 62a_100009816417_100000211926 [1,1,0,0,0,0|2,0,0]=4 2016 B13R1.3516 CCCCc1cccc(c1C=O)C 271570a_100020621405_100000041122 [1,1,0,0,0,0|2,0,0]=4 2017 B13R1.3516 CCCCc1cccc(c1C=O)Cl 271570a_100020621405_100010147682 [1,1,0,0,0,0|2,0,0]=4 2018 B13R1.3516 CCCCc1cccc(c1C=O)F 271570a_100020621405_100000210083 [1,1,0,0,0,0|2,0,0]=4 2019 B13R1.3516 CCCCc1cccc(c1C=O)N 271570a_100020621405_100010232536 [1,1,0,0,0,0|2,0,0]=4 2020 B13R1.3516 CCCCc1cccc(c1C=O)O 271570a_100020621405_100009814793 [1,1,0,0,0,0|2,0,0]=4 2021 B13R1.3516 CCCSc1cccc(c1C=O)C 62a_100000041122_100000210303 [1,1,0,0,0,0|1,0,0]=3 2022 B13R1.3516 CCCSc1cccc(c1C=O)C 62a_100000210303_100000041122 [1,1,0,0,0,0|1,0,0]=3 2023 B13R1.3516 CCCSc1cccc(c1C=O)Cl 62a_100000210303_100010147682 [1,1,0,0,0,0|1,0,0]=3 2024 B13R1.3516 CCCSc1cccc(c1C=O)Cl 62a_100010147682_100000210303 [1,1,0,0,0,0|1,0,0]=3 2025 B13R1.3516 CCCSc1cccc(c1C=O)F 62a_100000210083_100000210303 [1,1,0,0,0,0|1,0,0]=3 2026 B13R1.3516 CCCSc1cccc(c1C=O)F 62a_100000210303_100000210083 [1,1,0,0,0,0|1,0,0]=3 2027 B13R1.3516 CCCSc1cccc(c1C=O)N 62a_100010232536_100000210303 [1,1,0,0,0,0|1,0,0]=3 2028 B13R1.3516 CCCSc1cccc(c1C=O)O 62a_100000210303_100010193437 [1,1,0,0,0,0|1,0,0]=3 2029 B13R1.3516 CCCSc1cccc(c1CO)F 62a_100000210303_100012355691 [1,1,0,0,0,0|1,0,1]=4 2030 B13R1.3516 CCCSc1cccc(c1CO)F 62a_100012355691_100000210303 [1,1,0,0,0,0|1,0,1]=4 2031 B13R1.3516 CCCSc1cccc(c1CO)N 62a_100000210303_100000747656 [1,1,0,0,0,0|1,0,1]=4 2032 B13R1.3516 CCCSc1cccc(c1CO)N 62a_100000747656_100000210303 [1,1,0,0,0,0|1,0,1]=4 2033 B13R1.3516 CCCSc1ccnc(c1C=O)Cl 62a_100000047006_100000210303 [1,1,0,0,0,0|2,0,0]=4 2034 B13R1.3516 CCCSc1ccnc(c1C=O)Cl 62a_100000210303_100000047006 [1,1,0,0,0,0|2,0,0]=4 2035 B13R1.3516 CCCSc1ccnc(c1C=O)F 62a_100000210303_100009828249 [1,1,0,0,0,0|2,0,0]=4 2036 B13R1.3516 CCCSc1ccnc(c1C=O)F 62a_100009828249_100000210303 [1,1,0,0,0,0|2,0,0]=4 2037 B13R1.3516 CCCSc1ccnc(c1C=O)N 62a_100009843235_100000210303 [1,1,0,0,0,0|2,0,0]=4 2038 B13R1.3516 CCCSc1cncc(c1C=O)F 62a_100000210303_100010064882 [1,1,0,0,0,0|2,0,0]=4 2039 B13R1.3516 CCCSc1cncc(c1C=O)F 62a_100010064882_100000210303 [1,1,0,0,0,0|2,0,0]=4 2040 B13R1.3516 CCCSc1nccc(c1C=O)N 62a_100000050385_100000210303 [1,1,0,0,0,0|2,0,0]=4 2041 B13R1.3516 CCCSc1nccc(c1C=O)N 62a_100000210303_100000050385 [1,1,0,0,0,0|2,0,0]=4 2042 B13R1.3516 CCCSc1nccc(c1C=O)O 62a_200010729673_100000210303 [1,1,0,0,0,0|2,0,0]=4 2043 B13R1.3516 COCSc1cccc(c1C=O)C 62a_100000041122_100000766300 [1,1,0,0,0,0|2,0,0]=4 2044 B13R1.3516 COCSc1cccc(c1C=O)C 62a_100000766300_100000041122 [1,1,0,0,0,0|2,0,0]=4 2045 B13R1.3516 COCSc1cccc(c1C=O)Cl 62a_100000766300_100010147682 [1,1,0,0,0,0|2,0,0]=4 2046 B13R1.3516 COCSc1cccc(c1C=O)Cl 62a_100010147682_100000766300 [1,1,0,0,0,0|2,0,0]=4 2047 B13R1.3516 COCSc1cccc(c1C=O)F 62a_100000210083_100000766300 [1,1,0,0,0,0|2,0,0]=4 2048 B13R1.3516 COCSc1cccc(c1C=O)F 62a_100000766300_100000210083 [1,1,0,0,0,0|2,0,0]=4 2049 B13R1.3516 COCSc1cccc(c1C=O)N 62a_100010232536_100000766300 [1,1,0,0,0,0|2,0,0]=4 2050 B13R1.3516 COCSc1cccc(c1C=O)O 62a_100000766300_100010193437 [1,1,0,0,0,0|2,0,0]=4 2051 B13R1.3516 CSCSc1cccc(c1C=O)C 62a_100000041122_100011218213 [1,1,0,0,0,0|2,0,0]=4 2052 B13R1.3516 CSCSc1cccc(c1C=O)C 62a_100011218213_100000041122 [1,1,0,0,0,0|2,0,0]=4 2053 B13R1.3516 CSCSc1cccc(c1C=O)Cl 62a_100010147682_100011218213 [1,1,0,0,0,0|2,0,0]=4 2054 B13R1.3516 CSCSc1cccc(c1C=O)Cl 62a_100011218213_100010147682 [1,1,0,0,0,0|2,0,0]=4 2055 B13R1.3516 CSCSc1cccc(c1C=O)F 62a_100000210083_100011218213 [1,1,0,0,0,0|2,0,0]=4 2056 B13R1.3516 CSCSc1cccc(c1C=O)F 62a_100011218213_100000210083 [1,1,0,0,0,0|2,0,0]=4 2057 B13R1.3516 CSCSc1cccc(c1C=O)N 62a_100010232536_100011218213 [1,1,0,0,0,0|2,0,0]=4 2058 B13R1.3516 CSCSc1cccc(c1C=O)O 62a_100011218213_100010193437 [1,1,0,0,0,0|2,0,0]=4 2059 B13R1.3516 Cc1cccc(c1C=O)SCCF 62a_100000041122_100011217306 [1,1,0,0,0,0|2,0,0]=4 2060 B13R1.3516 Cc1cccc(c1C=O)SCCF 62a_100011217306_100000041122 [1,1,0,0,0,0|2,0,0]=4 2061 B13R1.3516 Cc1cccc(c1C=O)SCCO 62a_100000041122_100000211926 [1,1,0,0,0,0|2,0,0]=4 2062 B13R1.3516 Cc1cccc(c1C=O)SCCO 62a_100000211926_100000041122 [1,1,0,0,0,0|2,0,0]=4 2063 B13R1.3516 Nc1cccc(c1C=O)SCCF 62a_100010232536_100011217306 [1,1,0,0,0,0|2,0,0]=4 2064 B13R1.3516 Nc1cccc(c1C=O)SCCO 62a_100010232536_100000211926 [1,1,0,0,0,0|2,0,0]=4 2065 B13R1.3516 O=Cc1c(cccc1SCCF)Cl 62a_100010147682_100011217306 [1,1,0,0,0,0|2,0,0]=4 2066 B13R1.3516 O=Cc1c(cccc1SCCF)Cl 62a_100011217306_100010147682 [1,1,0,0,0,0|2,0,0]=4 2067 B13R1.3516 O=Cc1c(cccc1SCCF)F 62a_100000210083_100011217306 [1,1,0,0,0,0|2,0,0]=4 2068 B13R1.3516 O=Cc1c(cccc1SCCF)F 62a_100011217306_100000210083 [1,1,0,0,0,0|2,0,0]=4 2069 B13R1.3516 O=Cc1c(cccc1SCCF)O 62a_100011217306_100010193437 [1,1,0,0,0,0|2,0,0]=4 2070 B13R1.3516 O=Cc1c(cccc1SCCO)Cl 62a_100000211926_100010147682 [1,1,0,0,0,0|2,0,0]=4 2071 B13R1.3516 O=Cc1c(cccc1SCCO)Cl 62a_100010147682_100000211926 [1,1,0,0,0,0|2,0,0]=4 2072 B13R1.3516 O=Cc1c(cccc1SCCO)F 62a_100000210083_100000211926 [1,1,0,0,0,0|2,0,0]=4 2073 B13R1.3516 O=Cc1c(cccc1SCCO)F 62a_100000211926_100000210083 [1,1,0,0,0,0|2,0,0]=4 2074 B13R1.3516 O=Cc1c(cccc1SCCO)O 62a_100000211926_100010193437 [1,1,0,0,0,0|2,0,0]=4 2075 B13R1.141 CC(=O)c1cc(ccc1SCF)Br 62a_100012349576_100015361967 [1,1,0,0,0,0|2,0,0]=4 2076 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100012361225_100015361967 [1,1,0,0,0,0|2,0,0]=4 2077 B13R1.141 CC(=O)c1cc(ccc1SCF)C 62a_100015361967_100012361225 [1,1,0,0,0,0|2,0,0]=4 2078 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100012353695_100015361967 [1,1,0,0,0,0|2,0,0]=4 2079 B13R1.141 CC(=O)c1cc(ccc1SCF)F 62a_100015361967_100010200798 [1,1,0,0,0,0|2,0,0]=4 2080 B13R1.141 CC(=O)c1cc(ccc1SCF)N 62a_100012349454_100015361967 [1,1,0,0,0,0|2,0,0]=4 2081 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 27a_100015525214_200000162314 [1,1,0,0,0,0|2,0,0]=4 2082 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210202 [1,1,0,0,0,0|2,0,0]=4 2083 B13R1.141 CCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210202 [1,1,0,0,0,0|2,0,0]=4 2084 B13R1.141 CCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2085 B13R1.141 CCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210202 [1,1,0,0,0,0|2,0,0]=4 2086 B13R1.141 CCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210202 [1,1,0,0,0,0|2,0,0]=4 2087 B13R1.141 CCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210202 [1,1,0,0,0,0|2,0,0]=4 2088 B13R1.141 CCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210202 [1,1,0,0,0,0|2,0,0]=4 2089 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 1458a_200000215690_200000210301 [1,1,0,0,0,0|1,1,0]=4 2090 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210202 [1,1,0,0,0,0|1,1,0]=4 2091 B13R1.141 CCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210202 [1,1,0,0,0,0|1,1,0]=4 2092 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [1,1,0,0,0,0|1,1,0]=4 2093 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [1,1,0,0,0,0|1,1,0]=4 2094 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 1458a_200000215692_200000210301 [1,1,0,0,0,0|1,1,0]=4 2095 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210202 [1,1,0,0,0,0|1,1,0]=4 2096 B13R1.141 CCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210202 [1,1,0,0,0,0|1,1,0]=4 2097 B13R1.141 CCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210202 [1,1,0,0,0,0|1,1,0]=4 2098 B13R1.141 CCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210202 [1,1,0,0,0,0|1,1,0]=4 2099 B13R1.141 CCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210202 [1,1,0,0,0,0|1,1,0]=4 2100 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [1,1,0,0,0,0|1,1,0]=4 2101 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210202 [1,1,0,0,0,0|1,1,0]=4 2102 B13R1.141 CCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210202 [1,1,0,0,0,0|1,1,0]=4 2103 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [1,1,0,0,0,0|1,1,0]=4 2104 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [1,1,0,0,0,0|1,1,0]=4 2105 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210202 [1,1,0,0,0,0|1,1,0]=4 2106 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210202 [1,1,0,0,0,0|1,1,0]=4 2107 B13R1.141 CCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210202 [1,1,0,0,0,0|1,1,0]=4 2108 B13R1.141 CCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210202 [1,1,0,0,0,0|1,1,0]=4 2109 B13R1.141 CCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210202 [1,1,0,0,0,0|1,1,0]=4 2110 B13R1.141 CCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210202 [1,1,0,0,0,0|1,1,0]=4 2111 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000215690_200025704644 [1,1,0,0,0,0|1,1,0]=4 2112 B13R1.141 CCOc1ccc(cc1C(=O)[13CH3])Cl 1458a_200000215692_200025704644 [1,1,0,0,0,0|1,1,0]=4 2113 B13R1.141 CCSc1ccc(cc1B(O)O)C 62a_100000210202_200010883979 [1,1,0,0,0,0|1,0,1]=4 2114 B13R1.141 CCSc1ccc(cc1B(O)O)C 62a_200010883979_100000210202 [1,1,0,0,0,0|1,0,1]=4 2115 B13R1.141 CCSc1ccc(cc1B(O)O)F 62a_100000210202_200009816908 [1,1,0,0,0,0|1,0,1]=4 2116 B13R1.141 CCSc1ccc(cc1B(O)O)F 62a_200009816908_100000210202 [1,1,0,0,0,0|1,0,1]=4 2117 B13R1.141 CCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210202 [1,1,0,0,0,0|1,0,0]=3 2118 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100000210202_100012361225 [1,1,0,0,0,0|1,0,0]=3 2119 B13R1.141 CCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210202 [1,1,0,0,0,0|1,0,0]=3 2120 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100000210202_100010200798 [1,1,0,0,0,0|1,0,0]=3 2121 B13R1.141 CCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210202 [1,1,0,0,0,0|1,0,0]=3 2122 B13R1.141 CCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210202 [1,1,0,0,0,0|1,0,0]=3 2123 B13R1.141 CCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210202 [1,1,0,0,0,0|1,0,0]=3 2124 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_100000210202_200012349609 [1,1,0,0,0,0|1,0,0]=3 2125 B13R1.141 CCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210202 [1,1,0,0,0,0|1,0,0]=3 2126 B13R1.141 CCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210202 [1,1,0,0,0,0|1,0,0]=3 2127 B13R1.141 CCSc1ccc(cc1C(=O)N)F 62a_100000210202_100000206434 [1,1,0,0,0,0|1,0,0]=3 2128 B13R1.141 CCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210202 [1,1,0,0,0,0|1,0,0]=3 2129 B13R1.141 CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210202 [1,1,0,0,0,0|0,0,0]=2 2130 B13R1.141 CCSc1ccc(cc1[C@H](C)O)F 62a_100000210202_100134768474 [1,1,0,0,0,0|1,0,1]=4 2131 B13R1.141 CCSc1ccc(cc1[C@H](C)O)F 62a_100134768474_100000210202 [1,1,0,0,0,0|1,0,1]=4 2132 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000118324_100000210202 [1,1,0,0,0,0|2,0,0]=4 2133 B13R1.141 CCSc1ncc(cc1C(=O)C)F 62a_100000210202_100000118324 [1,1,0,0,0,0|2,0,0]=4 2134 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100000210202_100012183597 [1,1,0,0,0,0|2,0,0]=4 2135 B13R1.141 CCSc1ncc(cc1C(=O)N)F 62a_100012183597_100000210202 [1,1,0,0,0,0|2,0,0]=4 2136 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_100015361967_200012349609 [1,1,0,0,0,0|2,0,0]=4 2137 B13R1.141 Cc1ccc(c(c1)C(=O)N)SCF 62a_200012349609_100015361967 [1,1,0,0,0,0|2,0,0]=4 2138 B13R1.141 NC(=O)c1cc(ccc1SCF)Br 62a_200000162314_100015361967 [1,1,0,0,0,0|2,0,0]=4 2139 B13R1.141 NC(=O)c1cc(ccc1SCF)F 62a_100000206434_100015361967 [1,1,0,0,0,0|2,0,0]=4 2140 B13R1.141 NC(=O)c1cc(ccc1SCF)F 62a_100015361967_100000206434 [1,1,0,0,0,0|2,0,0]=4 2141 B13R1.141 NC(=O)c1cc(ccc1SCF)N 62a_100015186447_100015361967 [1,1,0,0,0,0|2,0,0]=4 2142 B13R1.141 O=C(O)c1cc(ccc1SCF)Br 62a_100011072988_100015361967 [1,1,0,0,0,0|1,0,0]=3 2143 B13R1.356 CC(=O)c1ccc(cc1SCF)C 62a_100012353930_100015361967 [1,1,0,0,0,0|2,0,0]=4 2144 B13R1.356 CC(=O)c1ccc(cc1SCF)C 62a_100015361967_100012353930 [1,1,0,0,0,0|2,0,0]=4 2145 B13R1.356 CC(=O)c1ccc(cc1SCF)F 62a_100000686192_100015361967 [1,1,0,0,0,0|2,0,0]=4 2146 B13R1.356 CC(=O)c1ccc(cc1SCF)O 62a_100012340537_100015361967 [1,1,0,0,0,0|2,0,0]=4 2147 B13R1.356 CCNc1cc(ccc1C(=O)C)F 27a_100015525214_100000686192 [1,1,0,0,0,0|2,0,0]=4 2148 B13R1.356 CCNc1cc(ccc1C(=O)N)Br 27a_100015525214_100009815748 [1,1,0,0,0,0|2,0,0]=4 2149 B13R1.356 CCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2150 B13R1.356 CCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2151 B13R1.356 CCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2152 B13R1.356 CCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210202 [1,1,0,0,0,0|2,0,0]=4 2153 B13R1.356 CCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210202 [1,1,0,0,0,0|2,0,0]=4 2154 B13R1.356 CCNc1cc(ccc1C(=O)N)F 27a_100015525214_100000206404 [1,1,0,0,0,0|2,0,0]=4 2155 B13R1.356 CCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210202 [1,1,0,0,0,0|2,0,0]=4 2156 B13R1.356 CCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210202 [1,1,0,0,0,0|1,1,0]=4 2157 B13R1.356 CCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210202 [1,1,0,0,0,0|1,1,0]=4 2158 B13R1.356 CCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210202 [1,1,0,0,0,0|1,1,0]=4 2159 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210202 [1,1,0,0,0,0|1,1,0]=4 2160 B13R1.356 CCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210202 [1,1,0,0,0,0|1,1,0]=4 2161 B13R1.356 CCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210202 [1,1,0,0,0,0|1,1,0]=4 2162 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210202 [1,1,0,0,0,0|1,1,0]=4 2163 B13R1.356 CCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210202 [1,1,0,0,0,0|1,1,0]=4 2164 B13R1.356 CCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210202 [1,1,0,0,0,0|1,1,0]=4 2165 B13R1.356 CCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210202 [1,1,0,0,0,0|1,1,0]=4 2166 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210202 [1,1,0,0,0,0|1,1,0]=4 2167 B13R1.356 CCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210202 [1,1,0,0,0,0|1,1,0]=4 2168 B13R1.356 CCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210202 [1,1,0,0,0,0|1,1,0]=4 2169 B13R1.356 CCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210202 [1,1,0,0,0,0|1,1,0]=4 2170 B13R1.356 CCOc1cc(ccc1C(=O)N)O 271570a_203496583355_200010071310 [1,1,0,0,0,0|1,1,0]=4 2171 B13R1.356 CCSc1cc(ccc1B(O)O)C 62a_100000210202_200011068827 [1,1,0,0,0,0|1,0,1]=4 2172 B13R1.356 CCSc1cc(ccc1B(O)O)C 62a_200011068827_100000210202 [1,1,0,0,0,0|1,0,1]=4 2173 B13R1.356 CCSc1cc(ccc1B(O)O)F 62a_100000210202_100010175514 [1,1,0,0,0,0|1,0,1]=4 2174 B13R1.356 CCSc1cc(ccc1B(O)O)F 62a_100010175514_100000210202 [1,1,0,0,0,0|1,0,1]=4 2175 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100000210202_100012353930 [1,1,0,0,0,0|1,0,0]=3 2176 B13R1.356 CCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210202 [1,1,0,0,0,0|1,0,0]=3 2177 B13R1.356 CCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210202 [1,1,0,0,0,0|1,0,0]=3 2178 B13R1.356 CCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210202 [1,1,0,0,0,0|1,0,0]=3 2179 B13R1.356 CCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210202 [1,1,0,0,0,0|1,0,0]=3 2180 B13R1.356 CCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210202 [1,1,0,0,0,0|1,0,0]=3 2181 B13R1.356 CCSc1cc(ccc1C(=O)N)F 62a_100000210202_100000206404 [1,1,0,0,0,0|1,0,0]=3 2182 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000041523_100000210202 [1,1,0,0,0,0|2,0,0]=4 2183 B13R1.356 CCSc1nc(ccc1C(=O)N)C 62a_100000210202_100000041523 [1,1,0,0,0,0|2,0,0]=4 2184 B13R1.356 NC(=O)c1ccc(cc1SCF)Br 62a_100009815748_100015361967 [1,1,0,0,0,0|2,0,0]=4 2185 B13R1.356 NC(=O)c1ccc(cc1SCF)F 62a_100000206404_100015361967 [1,1,0,0,0,0|2,0,0]=4 2186 B13R1.356 NC(=O)c1ccc(cc1SCF)F 62a_100015361967_100000206404 [1,1,0,0,0,0|2,0,0]=4 2187 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100000210202_100011346021 [1,1,0,0,0,0|1,0,1]=4 2188 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100011346021_100000210202 [1,1,0,0,0,0|1,0,1]=4 2189 B13R1.381 CCSc1ccccc1S(=O)(=O)C 62a_100000210202_100000751929 [1,1,0,0,0,0|1,0,1]=4 2190 B13R1.381 CCSc1ccccc1S(=O)(=O)C 62a_100000751929_100000210202 [1,1,0,0,0,0|1,0,1]=4 2191 B13R1.381 CCSc1ccccc1S(=O)(=O)N 62a_100000164562_100000210202 [1,1,0,0,0,0|1,0,1]=4 2192 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [1,1,0,0,0,0|1,0,1]=4 2193 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [1,1,0,0,0,0|2,0,0]=4 2194 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [1,1,0,0,0,0|2,0,0]=4 2195 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [1,1,0,0,0,0|2,0,0]=4 2196 B13R1.382 CCOc1ccccc1C(=NO)C 34a_100000164216_100000210202 [1,1,0,0,0,0|1,1,0]=4 2197 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [1,1,0,0,0,0|1,1,0]=4 2198 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [1,1,0,0,0,0|1,1,0]=4 2199 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [1,1,0,0,0,0|1,1,0]=4 2200 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [1,1,0,0,0,0|1,1,0]=4 2201 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [1,1,0,0,0,0|1,1,0]=4 2202 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [1,1,0,0,0,0|1,1,0]=4 2203 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [1,1,0,0,0,0|1,1,0]=4 2204 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [1,1,0,0,0,0|1,1,0]=4 2205 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [1,1,0,0,0,0|1,1,0]=4 2206 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [1,1,0,0,0,0|1,1,0]=4 2207 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [1,1,0,0,0,0|1,1,0]=4 2208 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [1,1,0,0,0,0|0,1,0]=3 2209 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [1,1,0,0,0,0|0,1,0]=3 2210 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [1,1,0,0,0,0|1,1,0]=4 2211 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [1,1,0,0,0,0|1,1,0]=4 2212 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [1,1,0,0,0,0|1,0,0]=3 2213 B13R1.382 CCSc1ccccc1C(=O)CF 1458a_100000195471_100015361967 [1,1,0,0,0,0|1,0,0]=3 2214 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [1,1,0,0,0,0|1,0,0]=3 2215 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [1,1,0,0,0,0|1,0,0]=3 2216 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [1,1,0,0,0,0|1,0,0]=3 2217 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [1,1,0,0,0,0|1,0,0]=3 2218 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [1,1,0,0,0,0|1,0,0]=3 2219 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [1,1,0,0,0,0|1,0,0]=3 2220 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000190081_100000210202 [1,1,0,0,0,0|1,0,0]=3 2221 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000210202_100000190081 [1,1,0,0,0,0|1,0,0]=3 2222 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [1,1,0,0,0,0|0,0,0]=2 2223 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [1,1,0,0,0,0|0,0,0]=2 2224 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [1,1,0,0,0,0|0,0,0]=2 2225 B13R1.382 CCSc1ccccc1C(O)CN 62a_100000210202_100011236429 [1,1,0,0,0,0|1,0,1]=4 2226 B13R1.382 CCSc1ccccc1C(O)CN 62a_100011236429_100000210202 [1,1,0,0,0,0|1,0,1]=4 2227 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100000210202_100161155918 [1,1,0,0,0,0|1,0,1]=4 2228 B13R1.382 CCSc1ccccc1[C@H](N)CO 62a_100161155918_100000210202 [1,1,0,0,0,0|1,0,1]=4 2229 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [1,1,0,0,0,0|1,0,0]=3 2230 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [1,1,0,0,0,0|1,0,0]=3 2231 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100000210202_100020629055 [1,1,0,0,0,0|1,0,0]=3 2232 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100020629055_100000210202 [1,1,0,0,0,0|1,0,0]=3 2233 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100000210202_100010008606 [1,1,0,0,0,0|1,0,0]=3 2234 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100010008606_100000210202 [1,1,0,0,0,0|1,0,0]=3 2235 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100000210202_100012360100 [1,1,0,0,0,0|2,0,0]=4 2236 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100012360100_100000210202 [1,1,0,0,0,0|2,0,0]=4 2237 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000159833_100000210202 [1,1,0,0,0,0|2,0,0]=4 2238 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000210202_100000159833 [1,1,0,0,0,0|2,0,0]=4 2239 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [1,1,0,0,0,0|1,0,0]=3 2240 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [1,1,0,0,0,0|1,0,0]=3 2241 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000210202_100000079898 [1,1,0,0,0,0|2,0,0]=4 2242 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000688410_100000210202 [1,1,0,0,0,0|2,0,0]=4 2243 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000210202_100000726419 [1,1,0,0,0,0|2,0,0]=4 2244 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000726419_100000210202 [1,1,0,0,0,0|2,0,0]=4 2245 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100000155073_100015361967 [1,1,0,0,0,0|2,0,0]=4 2246 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100015361967_100000155073 [1,1,0,0,0,0|2,0,0]=4 2247 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [1,1,0,0,0,0|2,0,0]=4 2248 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [1,1,0,0,0,0|2,0,0]=4 2249 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [1,1,0,0,0,0|2,0,0]=4 2250 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [1,1,0,0,0,0|2,0,0]=4 2252 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [1,1,0,0,0,0|2,0,0]=4 2253 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [1,1,0,0,0,0|2,0,0]=4 2254 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [1,1,0,0,0,0|1,1,0]=4 2255 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [1,1,0,0,0,0|1,0,0]=3 2256 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [1,1,0,0,0,0|1,0,0]=3 2257 B13R1.382 COC(=O)c1cccnc1SCF 62a_100011587185_100015361967 [1,1,0,0,0,0|2,0,0]=4 2258 B13R1.382 COC(=O)c1cccnc1SCF 62a_100015361967_100000150852 [1,1,0,0,0,0|2,0,0]=4 2259 B13R1.382 COC(=O)c1ccncc1SCF 62a_100010008606_100015361967 [1,1,0,0,0,0|2,0,0]=4 2260 B13R1.382 COC(=O)c1ccncc1SCF 62a_100015361967_100010008606 [1,1,0,0,0,0|2,0,0]=4 2261 B13R1.382 COC(=O)c1cnccc1SCF 62a_100015361967_100020629055 [1,1,0,0,0,0|2,0,0]=4 2262 B13R1.382 COC(=O)c1cnccc1SCF 62a_100020629055_100015361967 [1,1,0,0,0,0|2,0,0]=4 2263 B13R1.382 COC(=O)c1ncccc1SCF 62a_100011935214_100015361967 [1,1,0,0,0,0|2,0,0]=4 2264 B13R1.382 COC(=O)c1ncccc1SCF 62a_100015361967_100011935214 [1,1,0,0,0,0|2,0,0]=4 2265 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [1,1,0,0,0,0|2,0,0]=4 2266 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100000190081_100015361967 [1,1,0,0,0,0|2,0,0]=4 2267 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100015361967_100000190081 [1,1,0,0,0,0|2,0,0]=4 2268 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [1,1,0,0,0,0|1,1,0]=4 2269 B13R1.382 O=C(O[Na])c1ccccc1SCF 62a_100015361967_114855342371 [1,1,0,0,0,0|1,0,0]=3 2270 B13R1.547 CCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000204670 [1,1,0,0,0,0|2,0,0]=4 2271 B13R1.589 CC(=O)c1ccccc1OC(C)C 1458a_100000244644_200000210301 [1,1,0,0,0,0|1,1,0]=4 2272 B13R1.589 CC(=O)c1ccccc1SC(C)C 1458a_100000229993_200000210301 [1,1,0,0,0,0|1,0,0]=3 2273 B13R1.589 CC(=O)c1ccccc1SC(C)C 62a_100000751169_100000210206 [1,1,0,0,0,0|1,0,0]=3 2274 B13R1.589 CC(=O)c1ccccc1SC(F)F 1458a_100000185210_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000210206_100000753718 [1,1,0,0,0,0|2,0,0]=4 2276 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000753718_100000210206 [1,1,0,0,0,0|2,0,0]=4 2277 B13R1.589 CC(=O)c1ccncc1SC(C)C 62a_100000210206_100009993184 [1,1,0,0,0,0|2,0,0]=4 2278 B13R1.589 CC(=O)c1ccncc1SC(C)C 62a_100009993184_100000210206 [1,1,0,0,0,0|2,0,0]=4 2279 B13R1.589 CC(=O)c1cnccc1SC(C)C 62a_100000210206_100160469449 [1,1,0,0,0,0|2,0,0]=4 2280 B13R1.589 CC(=O)c1cnccc1SC(C)C 62a_100160469449_100000210206 [1,1,0,0,0,0|2,0,0]=4 2281 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100000210206_100012348690 [1,1,0,0,0,0|2,0,0]=4 2282 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100012348690_100000210206 [1,1,0,0,0,0|2,0,0]=4 2283 B13R1.589 CC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000210206 [1,1,0,0,0,0|2,0,0]=4 2284 B13R1.589 CC(C)Oc1ccccc1C(=O)N 34a_100000192804_100000210206 [1,1,0,0,0,0|1,1,0]=4 2285 B13R1.589 CC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000210206 [1,1,0,0,0,0|1,1,0]=4 2286 B13R1.589 CC(C)Oc1ccccc1C(=O)[13CH3] 1458a_100000244644_200025704644 [1,1,0,0,0,0|1,1,0]=4 2287 B13R1.589 CC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000210206 [1,1,0,0,0,0|0,1,1]=4 2288 B13R1.589 CC(C)Sc1ccccc1B(O)O 62a_100000210206_100000693059 [1,1,0,0,0,0|1,0,1]=4 2289 B13R1.589 CC(C)Sc1ccccc1B(O)O 62a_100000693059_100000210206 [1,1,0,0,0,0|1,0,1]=4 2290 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000210206 [1,1,0,0,0,0|1,0,0]=3 2291 B13R1.589 CC(C)Sc1ccccc1C(=O)N 62a_100000210206_100000162227 [1,1,0,0,0,0|1,0,0]=3 2292 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_100000210206_100000734275 [1,1,0,0,0,0|0,0,0]=2 2293 B13R1.589 CC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000210206 [1,1,0,0,0,0|0,0,0]=2 2294 B13R1.589 CC(C)Sc1ccccc1C(=O)[13CH3] 1458a_100000229993_200025704644 [1,1,0,0,0,0|1,0,0]=3 2295 B13R1.589 CC(C)Sc1ccccc1C(C)O 62a_100000210206_100000702211 [1,1,0,0,0,0|1,0,1]=4 2296 B13R1.589 CC(C)Sc1ccccc1C(C)O 62a_100000702211_100000210206 [1,1,0,0,0,0|1,0,1]=4 2297 B13R1.589 CC(C)Sc1ccccc1S(=O)C 62a_100000734199_100000210206 [1,1,0,0,0,0|2,0,0]=4 2298 B13R1.589 CC(C)Sc1cccnc1C(=O)N 62a_100000210206_200012359670 [1,1,0,0,0,0|2,0,0]=4 2299 B13R1.589 CC(C)Sc1cccnc1C(=O)N 62a_200012359670_100000210206 [1,1,0,0,0,0|2,0,0]=4 2300 B13R1.589 CC(C)Sc1ccncc1C(=O)N 62a_100000210206_100000697804 [1,1,0,0,0,0|2,0,0]=4 2301 B13R1.589 CC(C)Sc1ccncc1C(=O)N 62a_100000697804_100000210206 [1,1,0,0,0,0|2,0,0]=4 2302 B13R1.589 CC(C)Sc1cnccc1C(=O)N 62a_100000210206_100010205435 [1,1,0,0,0,0|2,0,0]=4 2303 B13R1.589 CC(C)Sc1cnccc1C(=O)N 62a_100010205435_100000210206 [1,1,0,0,0,0|2,0,0]=4 2304 B13R1.589 CC(C)Sc1ncccc1C(=O)N 62a_100000162199_100000210206 [1,1,0,0,0,0|2,0,0]=4 2305 B13R1.589 CC(C)Sc1ncccc1C(=O)N 62a_100000210206_100000162199 [1,1,0,0,0,0|2,0,0]=4 2306 B13R1.589 [13CH3]C(=O)c1ccccc1SC(F)F 1458a_100000185210_200025704644 [1,1,0,0,0,0|2,0,0]=4 2307 B13R1.2897 CC(=O)c1c(cccc1SCF)F 62a_100012351873_100015361967 [1,1,0,0,0,0|2,0,0]=4 2308 B13R1.2897 CCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210202 [1,1,0,0,0,0|2,0,0]=4 2309 B13R1.2897 CCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210202 [1,1,0,0,0,0|2,0,0]=4 2310 B13R1.2897 CCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210202 [1,1,0,0,0,0|2,0,0]=4 2311 B13R1.2897 CCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210202 [1,1,0,0,0,0|2,0,0]=4 2312 B13R1.2897 CCNc1cccc(c1C(=O)N)F 27a_100015525214_100011219063 [1,1,0,0,0,0|2,0,0]=4 2313 B13R1.2897 CCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210202 [1,1,0,0,0,0|2,0,0]=4 2314 B13R1.2897 CCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210202 [1,1,0,0,0,0|2,0,0]=4 2315 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210202 [1,1,0,0,0,0|1,1,0]=4 2316 B13R1.2897 CCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210202 [1,1,0,0,0,0|1,1,0]=4 2317 B13R1.2897 CCOc1cccc(c1C(=O)C)C 1458a_200009913675_200000210301 [1,1,0,0,0,0|1,1,0]=4 2318 B13R1.2897 CCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210202 [1,1,0,0,0,0|1,1,0]=4 2319 B13R1.2897 CCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210202 [1,1,0,0,0,0|1,1,0]=4 2320 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210202 [1,1,0,0,0,0|1,1,0]=4 2321 B13R1.2897 CCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210202 [1,1,0,0,0,0|1,1,0]=4 2322 B13R1.2897 CCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210202 [1,1,0,0,0,0|1,1,0]=4 2323 B13R1.2897 CCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210202 [1,1,0,0,0,0|1,1,0]=4 2324 B13R1.2897 CCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210202 [1,1,0,0,0,0|1,1,0]=4 2325 B13R1.2897 CCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210202 [1,1,0,0,0,0|1,1,0]=4 2326 B13R1.2897 CCOc1cccc(c1C(=O)[13CH3])C 1458a_200009913675_200025704644 [1,1,0,0,0,0|1,1,0]=4 2327 B13R1.2897 CCSc1cccc(c1B(O)O)F 62a_100000210202_100009814739 [1,1,0,0,0,0|1,0,1]=4 2328 B13R1.2897 CCSc1cccc(c1B(O)O)F 62a_100009814739_100000210202 [1,1,0,0,0,0|1,0,1]=4 2329 B13R1.2897 CCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210202 [1,1,0,0,0,0|1,0,0]=3 2330 B13R1.2897 CCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210202 [1,1,0,0,0,0|1,0,0]=3 2331 B13R1.2897 CCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210202 [1,1,0,0,0,0|1,0,0]=3 2332 B13R1.2897 CCSc1cccc(c1C(C)O)F 62a_100000210202_100013085324 [1,1,0,0,0,0|1,0,1]=4 2333 B13R1.2897 CCSc1cccc(c1C(C)O)F 62a_100013085324_100000210202 [1,1,0,0,0,0|1,0,1]=4 2334 B13R1.2897 CCSc1cncc(c1C(=O)N)F 62a_100000210202_100010271514 [1,1,0,0,0,0|2,0,0]=4 2335 B13R1.2897 CCSc1cncc(c1C(=O)N)F 62a_100010271514_100000210202 [1,1,0,0,0,0|2,0,0]=4 2336 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_100000210202_200010729368 [1,1,0,0,0,0|2,0,0]=4 2337 B13R1.2897 CCSc1nccc(c1C(=O)C)N 62a_200010729368_100000210202 [1,1,0,0,0,0|2,0,0]=4 2338 B13R1.2897 NC(=O)c1c(cccc1SCF)Cl 62a_100010147686_100015361967 [1,1,0,0,0,0|2,0,0]=4 2339 B13R1.2897 NC(=O)c1c(cccc1SCF)F 62a_100011219063_100015361967 [1,1,0,0,0,0|2,0,0]=4 2340 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100012362612_100015361967 [1,1,0,0,0,0|2,0,0]=4 2341 B13R1.4012 CC(=O)c1cccc(c1SCF)F 62a_100015361967_100012362612 [1,1,0,0,0,0|2,0,0]=4 2342 B13R1.4012 CCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210202 [1,1,0,0,0,0|2,0,0]=4 2343 B13R1.4012 CCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2344 B13R1.4012 CCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2345 B13R1.4012 CCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210202 [1,1,0,0,0,0|1,1,0]=4 2346 B13R1.4012 CCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210202 [1,1,0,0,0,0|1,1,0]=4 2347 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210202 [1,1,0,0,0,0|1,1,0]=4 2348 B13R1.4012 CCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210202 [1,1,0,0,0,0|1,1,0]=4 2349 B13R1.4012 CCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210202 [1,1,0,0,0,0|1,1,0]=4 2350 B13R1.4012 CCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210202 [1,1,0,0,0,0|1,1,0]=4 2351 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210202 [1,1,0,0,0,0|1,1,0]=4 2352 B13R1.4012 CCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210202 [1,1,0,0,0,0|1,1,0]=4 2353 B13R1.4012 CCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210202 [1,1,0,0,0,0|1,1,0]=4 2354 B13R1.4012 CCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210202 [1,1,0,0,0,0|1,1,0]=4 2355 B13R1.4012 CCSc1c(cccc1B(O)O)C 62a_100000210202_100046285795 [1,1,0,0,0,0|1,0,1]=4 2356 B13R1.4012 CCSc1c(cccc1B(O)O)C 62a_100046285795_100000210202 [1,1,0,0,0,0|1,0,1]=4 2357 B13R1.4012 CCSc1c(cccc1B(O)O)F 62a_100000210202_100011016267 [1,1,0,0,0,0|1,0,1]=4 2358 B13R1.4012 CCSc1c(cccc1B(O)O)F 62a_100011016267_100000210202 [1,1,0,0,0,0|1,0,1]=4 2359 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100000210202_100012362612 [1,1,0,0,0,0|1,0,0]=3 2360 B13R1.4012 CCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210202 [1,1,0,0,0,0|1,0,0]=3 2361 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_100000210202_200011409216 [1,1,0,0,0,0|1,0,0]=3 2362 B13R1.4012 CCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210202 [1,1,0,0,0,0|1,0,0]=3 2363 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_100000210202_200012351544 [1,1,0,0,0,0|1,0,0]=3 2364 B13R1.4012 CCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210202 [1,1,0,0,0,0|1,0,0]=3 2365 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_100015361967_200011409216 [1,1,0,0,0,0|2,0,0]=4 2366 B13R1.4012 Cc1cccc(c1SCF)C(=O)N 62a_200011409216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2367 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_100015361967_200012351544 [1,1,0,0,0,0|2,0,0]=4 2368 B13R1.4012 NC(=O)c1cccc(c1SCF)F 62a_200012351544_100015361967 [1,1,0,0,0,0|2,0,0]=4 2369 B13R1.581 CCCSc1cc[nH]c1C(=O)OC 62a_100000210303_100102525103 [0,1,0,0,1,0|2,0,0]=4 2370 B13R1.581 CCCSc1ccoc1C(=O)OC 62a_100000210303_100012676306 [0,1,0,0,1,0|2,0,0]=4 2371 B13R1.581 CCCSc1ccsc1C(=O)OC 62a_100000210303_100000730364 [0,1,0,0,1,0|2,0,0]=4 2372 B13R1.581 CCCSc1cscc1C(=O)OC 62a_100000210303_100012351140 [0,1,0,0,1,0|2,0,0]=4 2373 B13R1.581 CCCSc1cscc1C(=O)OC 62a_100012351140_100000210303 [0,1,0,0,1,0|2,0,0]=4 2374 B13R1.581 CCCSc1occc1C(=O)OC 62a_100000210303_100011935261 [0,1,0,0,1,0|2,0,0]=4 2375 B13R1.581 CCCSc1sccc1C(=O)OC 62a_100000210303_100009822520 [0,1,0,0,1,0|2,0,0]=4 2376 B13R1.581 CCCSc1sccc1C(=O)OC 62a_100009822520_100000210303 [0,1,0,0,1,0|2,0,0]=4 2377 B15R1.1005 CCCSc1cc(ccc1NC(=O)C)Br 62a_100009813020_100000210303 [0,1,0,0,0,1|2,0,0]=4 2378 B15R1.1005 CCCSc1cc(ccc1NC(=O)C)C 62a_100000210303_100000152032 [0,1,0,0,0,1|2,0,0]=4 2379 B15R1.1005 CCCSc1cc(ccc1NC(=O)C)F 62a_100000210303_100011215554 [0,1,0,0,0,1|2,0,0]=4 2380 B15R1.1052 C=CC(=O)Nc1ccccc1SCCC 22a_100015184514_100000185746 [0,1,0,0,0,1|2,0,0]=4 2381 B15R1.1052 CCCCc1ccccc1CC(=O)OC 271570a_100020621405_100000699816 [0,1,0,0,0,1|2,0,0]=4 2382 B15R1.1052 CCCCc1ccccc1NC(=O)CO 22a_200011217597_100000210174 [0,1,0,0,0,1|2,0,0]=4 2383 B15R1.1052 CCCCc1ccccc1NC(=O)CO 527a_200011217597_100000210174 [0,1,0,0,0,1|2,0,0]=4 2384 B15R1.1052 CCCCc1ccccc1NC(=O)OC 271570a_100020621405_100000216184 [0,1,0,0,0,1|2,0,0]=4 2385 B15R1.1052 CCCOc1ccccc1CC(=O)OC 7a_100000758901_100000210303 [0,1,0,0,0,1|1,1,0]=4 2386 B15R1.1052 CCCOc1ccccc1NC(=O)CO 22a_100000683936_100000210174 [0,1,0,0,0,1|1,1,0]=4 2387 B15R1.1052 CCCOc1ccccc1NC(=O)CO 527a_100000683936_100000210174 [0,1,0,0,0,1|1,1,0]=4 2388 B15R1.1052 CCCSc1ccccc1CC(=O)NC 62a_100000210303_200009816160 [0,1,0,0,0,1|2,0,0]=4 2389 B15R1.1052 CCCSc1ccccc1CC(=O)NC 62a_200009816160_100000210303 [0,1,0,0,0,1|2,0,0]=4 2390 B15R1.1052 CCCSc1ccccc1CC(=O)NN 62a_100000210303_200010210069 [0,1,0,0,0,1|2,0,0]=4 2391 B15R1.1052 CCCSc1ccccc1CC(=O)NN 62a_200010210069_100000210303 [0,1,0,0,0,1|2,0,0]=4 2392 B15R1.1052 CCCSc1ccccc1CC(=O)OC 62a_100000210303_100000699816 [0,1,0,0,0,1|1,0,0]=3 2393 B15R1.1052 CCCSc1ccccc1CC(=O)OC 62a_100000699816_100000210303 [0,1,0,0,0,1|1,0,0]=3 2394 B15R1.1052 CCCSc1ccccc1NC(=O)CC 11a_100015184514_100000210414 [0,1,0,0,0,1|2,0,0]=4 2395 B15R1.1052 CCCSc1ccccc1NC(=O)CC 22a_100015184514_100000210414 [0,1,0,0,0,1|2,0,0]=4 2396 B15R1.1052 CCCSc1ccccc1NC(=O)CC 62a_100000210303_100000153536 [0,1,0,0,0,1|2,0,0]=4 2397 B15R1.1052 CCCSc1ccccc1NC(=O)CN 62a_100000210303_100000683505 [0,1,0,0,0,1|2,0,0]=4 2398 B15R1.1052 CCCSc1ccccc1NC(=O)CO 22a_100015184514_100000210174 [0,1,0,0,0,1|1,0,0]=3 2399 B15R1.1052 CCCSc1ccccc1NC(=O)NC 2430a_100015184514_100102657272 [0,1,0,0,0,1|2,0,0]=4 2400 B15R1.1052 CCCSc1ccccc1NC(=O)NC 512a_100015184514_100102657272 [0,1,0,0,0,1|2,0,0]=4 2401 B15R1.1052 CCCSc1ccccc1NC(=O)OC 62a_100000210303_100000216184 [0,1,0,0,0,1|1,0,0]=3 2402 B15R1.1052 CCCSc1cccnc1CC(=O)OC 62a_100000210303_100012347948 [0,1,0,0,0,1|2,0,0]=4 2403 B15R1.1052 CCCSc1cccnc1CC(=O)OC 62a_100012347948_100000210303 [0,1,0,0,0,1|2,0,0]=4 2404 B15R1.1052 CCCSc1ncccc1CC(=O)OC 62a_100000210303_100010293180 [0,1,0,0,0,1|2,0,0]=4 2405 B15R1.1052 CCCSc1ncccc1CC(=O)OC 62a_100010293180_100000210303 [0,1,0,0,0,1|2,0,0]=4 2406 B15R1.1052 CCNCc1ccccc1CC(=O)OC 2230a_100015525214_100000094086 [0,1,0,0,0,1|2,0,0]=4 2407 B15R1.1052 CCOCc1ccccc1CC(=O)OC 34a_100121572206_100000094086 [0,1,0,0,0,1|2,0,0]=4 2408 B15R1.1052 CCSCc1ccccc1CC(=O)OC 62a_100000094086_100000210202 [0,1,0,0,0,1|2,0,0]=4 2409 B15R1.1052 CCSCc1ccccc1CC(=O)OC 62a_100000210202_100000094086 [0,1,0,0,0,1|2,0,0]=4 2410 B15R1.1052 COC(=O)Cc1ccccc1SCCF 62a_100000699816_100011217306 [0,1,0,0,0,1|2,0,0]=4 2411 B15R1.1052 COC(=O)Cc1ccccc1SCCF 62a_100011217306_100000699816 [0,1,0,0,0,1|2,0,0]=4 2412 B15R1.1052 COC(=O)Cc1ccccc1SCCO 62a_100000211926_100000699816 [0,1,0,0,0,1|2,0,0]=4 2413 B15R1.1052 COC(=O)Cc1ccccc1SCCO 62a_100000699816_100000211926 [0,1,0,0,0,1|2,0,0]=4 2414 B15R1.1052 COC(=O)Cc1ccccc1SCSC 62a_100000699816_100011218213 [0,1,0,0,0,1|2,0,0]=4 2415 B15R1.1052 COC(=O)Cc1ccccc1SCSC 62a_100011218213_100000699816 [0,1,0,0,0,1|2,0,0]=4 2416 B15R1.1052 COC(=O)Nc1ccccc1SCCF 62a_100011217306_100000216184 [0,1,0,0,0,1|2,0,0]=4 2417 B15R1.1052 COC(=O)Nc1ccccc1SCCO 62a_100000211926_100000216184 [0,1,0,0,0,1|2,0,0]=4 2418 B15R1.1052 COC(=O)Nc1ccccc1SCSC 62a_100011218213_100000216184 [0,1,0,0,0,1|2,0,0]=4 2419 B15R1.1052 COCSc1ccccc1CC(=O)OC 62a_100000699816_100000766300 [0,1,0,0,0,1|2,0,0]=4 2420 B15R1.1052 COCSc1ccccc1CC(=O)OC 62a_100000766300_100000699816 [0,1,0,0,0,1|2,0,0]=4 2421 B15R1.1052 COCSc1ccccc1NC(=O)OC 62a_100000766300_100000216184 [0,1,0,0,0,1|2,0,0]=4 2422 B15R1.1188 CC(=O)Cc1ccccc1SCCCF 62a_100011350739_100011934791 [0,1,0,0,0,1|2,0,0]=4 2423 B15R1.1188 CC(=O)Cc1ccccc1SCCCF 62a_100011934791_100011350739 [0,1,0,0,0,1|2,0,0]=4 2424 B15R1.1188 CC(=O)Cc1ccccc1SCCCO 62a_100011215043_100011350739 [0,1,0,0,0,1|2,0,0]=4 2425 B15R1.1188 CC(=O)Cc1ccccc1SCCCO 62a_100011350739_100011215043 [0,1,0,0,0,1|2,0,0]=4 2426 B15R1.1188 CC(=O)Nc1ccccc1SCCCF 62a_100011934791_100000153524 [0,1,0,0,0,1|2,0,0]=4 2427 B15R1.1188 CC(=O)Nc1ccccc1SCCCO 62a_100011215043_100000153524 [0,1,0,0,0,1|2,0,0]=4 2428 B15R1.1188 CC(=O)Oc1ccccc1SCCCF 62a_100000051690_100011934791 [0,1,0,0,0,1|2,0,0]=4 2429 B15R1.1188 CC(=O)Oc1ccccc1SCCCF 62a_100011934791_100000051690 [0,1,0,0,0,1|2,0,0]=4 2430 B15R1.1188 CC(=O)Oc1ccccc1SCCCO 62a_100000051690_100011215043 [0,1,0,0,0,1|2,0,0]=4 2431 B15R1.1188 CC(=O)Oc1ccccc1SCCCO 62a_100011215043_100000051690 [0,1,0,0,0,1|2,0,0]=4 2432 B15R1.1188 CCCCSc1ccccc1CC(=O)C 62a_100000210211_100011350739 [0,1,0,0,0,1|2,0,0]=4 2433 B15R1.1188 CCCCSc1ccccc1CC(=O)C 62a_100011350739_100000210210 [0,1,0,0,0,1|2,0,0]=4 2434 B15R1.1188 CCCCSc1ccccc1CC(=O)N 62a_100000210211_200009814924 [0,1,0,0,0,1|2,0,0]=4 2435 B15R1.1188 CCCCSc1ccccc1CC(=O)N 62a_200009814924_100000210210 [0,1,0,0,0,1|2,0,0]=4 2436 B15R1.1188 CCCCSc1ccccc1NC(=O)C 62a_100000210211_100000153524 [0,1,0,0,0,1|2,0,0]=4 2437 B15R1.1188 CCCCSc1ccccc1NC(=O)N 62a_100000210211_100000742221 [0,1,0,0,0,1|2,0,0]=4 2438 B15R1.1188 CCCCSc1ccccc1OC(=O)C 62a_100000051690_100000210210 [0,1,0,0,0,1|2,0,0]=4 2439 B15R1.1188 CCCCSc1ccccc1OC(=O)C 62a_100000210211_100000051690 [0,1,0,0,0,1|2,0,0]=4 2440 B15R1.1188 CCCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210207 [0,1,0,0,0,1|2,0,0]=4 2441 B15R1.1188 CCOCSc1ccccc1CC(=O)C 62a_100000739092_100011350739 [0,1,0,0,0,1|2,0,0]=4 2442 B15R1.1188 CCOCSc1ccccc1CC(=O)C 62a_100011350739_100000739092 [0,1,0,0,0,1|2,0,0]=4 2443 B15R1.1188 CCOCSc1ccccc1CC(=O)N 62a_100000739092_200009814924 [0,1,0,0,0,1|2,0,0]=4 2444 B15R1.1188 CCOCSc1ccccc1CC(=O)N 62a_200009814924_100000739092 [0,1,0,0,0,1|2,0,0]=4 2445 B15R1.1188 CCOCSc1ccccc1NC(=O)C 62a_100000739092_100000153524 [0,1,0,0,0,1|2,0,0]=4 2446 B15R1.1188 CCOCSc1ccccc1NC(=O)N 62a_100000739092_100000742221 [0,1,0,0,0,1|2,0,0]=4 2447 B15R1.1188 CCOCSc1ccccc1OC(=O)C 62a_100000051690_100000739092 [0,1,0,0,0,1|2,0,0]=4 2448 B15R1.1188 CCOCSc1ccccc1OC(=O)C 62a_100000739092_100000051690 [0,1,0,0,0,1|2,0,0]=4 2449 B15R1.1188 COCCSc1ccccc1CC(=O)C 62a_100000233755_100011350739 [0,1,0,0,0,1|2,0,0]=4 2450 B15R1.1188 COCCSc1ccccc1CC(=O)C 62a_100011350739_100000233755 [0,1,0,0,0,1|2,0,0]=4 2451 B15R1.1188 COCCSc1ccccc1CC(=O)N 62a_100000233755_200009814924 [0,1,0,0,0,1|2,0,0]=4 2452 B15R1.1188 COCCSc1ccccc1CC(=O)N 62a_200009814924_100000233755 [0,1,0,0,0,1|2,0,0]=4 2453 B15R1.1188 COCCSc1ccccc1NC(=O)C 62a_100000233755_100000153524 [0,1,0,0,0,1|2,0,0]=4 2454 B15R1.1188 COCCSc1ccccc1NC(=O)N 62a_100000233755_100000742221 [0,1,0,0,0,1|2,0,0]=4 2455 B15R1.1188 COCCSc1ccccc1OC(=O)C 62a_100000051690_100000233755 [0,1,0,0,0,1|2,0,0]=4 2456 B15R1.1188 COCCSc1ccccc1OC(=O)C 62a_100000233755_100000051690 [0,1,0,0,0,1|2,0,0]=4 2457 B15R1.1188 COCNCc1ccccc1CC(=O)O 269956a_100000688124_100000766300 [0,1,0,0,0,1|2,0,0]=4 2458 B15R1.1188 CSCCSc1ccccc1CC(=O)C 62a_100000212216_100011350739 [0,1,0,0,0,1|2,0,0]=4 2459 B15R1.1188 CSCCSc1ccccc1CC(=O)C 62a_100011350739_100000751147 [0,1,0,0,0,1|2,0,0]=4 2460 B15R1.1188 CSCCSc1ccccc1CC(=O)N 62a_100000212216_200009814924 [0,1,0,0,0,1|2,0,0]=4 2461 B15R1.1188 CSCCSc1ccccc1CC(=O)N 62a_200009814924_100000751147 [0,1,0,0,0,1|2,0,0]=4 2462 B15R1.1188 CSCCSc1ccccc1NC(=O)C 62a_100000212216_100000153524 [0,1,0,0,0,1|2,0,0]=4 2463 B15R1.1188 CSCCSc1ccccc1NC(=O)N 62a_100000212216_100000742221 [0,1,0,0,0,1|2,0,0]=4 2464 B15R1.1188 CSCCSc1ccccc1OC(=O)C 62a_100000051690_100000751147 [0,1,0,0,0,1|2,0,0]=4 2465 B15R1.1188 CSCCSc1ccccc1OC(=O)C 62a_100000212216_100000051690 [0,1,0,0,0,1|2,0,0]=4 2466 B15R1.1188 CSCNCc1ccccc1CC(=O)O 269956a_100000688124_100011218213 [0,1,0,0,0,1|2,0,0]=4 2467 B15R1.1188 NC(=O)Cc1ccccc1SCCCF 62a_100011934791_200009814924 [0,1,0,0,0,1|2,0,0]=4 2468 B15R1.1188 NC(=O)Cc1ccccc1SCCCF 62a_200009814924_100011934791 [0,1,0,0,0,1|2,0,0]=4 2469 B15R1.1188 NC(=O)Cc1ccccc1SCCCO 62a_100011215043_200009814924 [0,1,0,0,0,1|2,0,0]=4 2470 B15R1.1188 NC(=O)Cc1ccccc1SCCCO 62a_200009814924_100011215043 [0,1,0,0,0,1|2,0,0]=4 2471 B15R1.1188 NC(=O)Nc1ccccc1SCCCF 62a_100011934791_100000742221 [0,1,0,0,0,1|2,0,0]=4 2472 B15R1.1188 NC(=O)Nc1ccccc1SCCCO 62a_100011215043_100000742221 [0,1,0,0,0,1|2,0,0]=4 2473 B15R1.1188 O=C(O)Cc1ccccc1CNCCF 269956a_100000688124_100011217306 [0,1,0,0,0,1|2,0,0]=4 2474 B15R1.1188 O=C(O)Cc1ccccc1CNCCO 269956a_100000688124_100000211926 [0,1,0,0,0,1|2,0,0]=4 2475 B15R1.3845 CCC(C)Sc1ccccc1CC(=O)C 62a_100000758301_100011350739 [0,1,0,0,0,1|2,0,0]=4 2476 B15R1.3845 CCC(C)Sc1ccccc1CC(=O)C 62a_100011350739_100000758301 [0,1,0,0,0,1|2,0,0]=4 2477 B15R1.3845 CCC(C)Sc1ccccc1CC(=O)N 62a_100000758301_200009814924 [0,1,0,0,0,1|2,0,0]=4 2478 B15R1.3845 CCC(C)Sc1ccccc1CC(=O)N 62a_200009814924_100000758301 [0,1,0,0,0,1|2,0,0]=4 2479 B15R1.3845 CCC(C)Sc1ccccc1NC(=O)C 62a_100000758301_100000153524 [0,1,0,0,0,1|2,0,0]=4 2480 B15R1.3845 CCC(C)Sc1ccccc1NC(=O)N 62a_100000758301_100000742221 [0,1,0,0,0,1|2,0,0]=4 2481 B15R1.3845 CCC(C)Sc1ccccc1OC(=O)C 62a_100000051690_100000758301 [0,1,0,0,0,1|2,0,0]=4 2482 B15R1.3845 CCC(C)Sc1ccccc1OC(=O)C 62a_100000758301_100000051690 [0,1,0,0,0,1|2,0,0]=4 2483 B15R1.5914 CC(=O)Cc1ccccc1SCC(C)C 62a_100000210624_100011350739 [0,1,0,0,0,1|2,0,0]=4 2484 B15R1.5914 CC(=O)Cc1ccccc1SCC(C)C 62a_100011350739_100000210760 [0,1,0,0,0,1|2,0,0]=4 2485 B15R1.5914 CC(=O)Cc1ccccc1SCC(C)O 62a_100011218427_100011350739 [0,1,0,0,0,1|2,0,0]=4 2486 B15R1.5914 CC(=O)Cc1ccccc1SCC(C)O 62a_100011350739_100011218427 [0,1,0,0,0,1|2,0,0]=4 2487 B15R1.5914 CC(=O)Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100011350739 [0,1,0,0,0,1|2,0,0]=4 2488 B15R1.5914 CC(=O)Cc1ccccc1SC[C@@H](C)O 62a_100011350739_100009817552 [0,1,0,0,0,1|2,0,0]=4 2489 B15R1.5914 CC(=O)Nc1ccccc1SCC(C)C 62a_100000210624_100000153524 [0,1,0,0,0,1|2,0,0]=4 2490 B15R1.5914 CC(=O)Nc1ccccc1SCC(C)O 62a_100011218427_100000153524 [0,1,0,0,0,1|2,0,0]=4 2491 B15R1.5914 CC(=O)Nc1ccccc1SC[C@@H](C)O 62a_100009817552_100000153524 [0,1,0,0,0,1|2,0,0]=4 2492 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)C 62a_100000051690_100000210760 [0,1,0,0,0,1|2,0,0]=4 2493 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)C 62a_100000210624_100000051690 [0,1,0,0,0,1|2,0,0]=4 2494 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)O 62a_100000051690_100011218427 [0,1,0,0,0,1|2,0,0]=4 2495 B15R1.5914 CC(=O)Oc1ccccc1SCC(C)O 62a_100011218427_100000051690 [0,1,0,0,0,1|2,0,0]=4 2496 B15R1.5914 CC(=O)Oc1ccccc1SC[C@@H](C)O 62a_100000051690_100009817552 [0,1,0,0,0,1|2,0,0]=4 2497 B15R1.5914 CC(=O)Oc1ccccc1SC[C@@H](C)O 62a_100009817552_100000051690 [0,1,0,0,0,1|2,0,0]=4 2498 B15R1.5914 CC(C)CSc1ccccc1CC(=O)N 62a_100000210624_200009814924 [0,1,0,0,0,1|2,0,0]=4 2499 B15R1.5914 CC(C)CSc1ccccc1CC(=O)N 62a_200009814924_100000210760 [0,1,0,0,0,1|2,0,0]=4 2500 B15R1.5914 CC(C)CSc1ccccc1NC(=O)N 62a_100000210624_100000742221 [0,1,0,0,0,1|2,0,0]=4 2501 B15R1.5914 CC(C)NCc1ccccc1CC(=O)O 269956a_100000688124_100000210206 [0,1,0,0,0,1|2,0,0]=4 2502 B15R1.5914 CC(O)CSc1ccccc1CC(=O)N 62a_100011218427_200009814924 [0,1,0,0,0,1|2,0,0]=4 2503 B15R1.5914 CC(O)CSc1ccccc1CC(=O)N 62a_200009814924_100011218427 [0,1,0,0,0,1|2,0,0]=4 2504 B15R1.5914 CC(O)CSc1ccccc1NC(=O)N 62a_100011218427_100000742221 [0,1,0,0,0,1|2,0,0]=4 2505 B15R1.5914 C[C@@H](O)CSc1ccccc1CC(=O)N 62a_100009817552_200009814924 [0,1,0,0,0,1|2,0,0]=4 2506 B15R1.5914 C[C@@H](O)CSc1ccccc1CC(=O)N 62a_200009814924_100009817552 [0,1,0,0,0,1|2,0,0]=4 2507 B15R1.5914 C[C@@H](O)CSc1ccccc1NC(=O)N 62a_100009817552_100000742221 [0,1,0,0,0,1|2,0,0]=4 2508 B15R1.10720 CCCSc1c(cccc1CC(=O)N)C 62a_100000210303_100011096275 [0,1,0,0,0,1|2,0,0]=4 2509 B15R1.10720 CCCSc1c(cccc1CC(=O)N)C 62a_100011096275_100000210303 [0,1,0,0,0,1|2,0,0]=4 2510 B15R1.12062 CCCSc1ccc(cc1NC(=O)C)C 62a_100000210303_100000182586 [0,1,0,0,0,1|2,0,0]=4 2511 B15R1.12062 CCCSc1ccc(cc1NC(=O)C)F 62a_100000210303_100012558231 [0,1,0,0,0,1|2,0,0]=4 2512 B15R1.12062 CCCSc1ccc(cc1OC(=O)C)F 62a_100000210303_200015685721 [0,1,0,0,0,1|2,0,0]=4 2513 B15R1.12062 CCCSc1ccc(cc1OC(=O)C)F 62a_200015685721_100000210303 [0,1,0,0,0,1|2,0,0]=4 2514 B15R1.559 C#CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000688953 [0,2,0,0,0,0|1,0,1]=4 2515 B15R1.559 C/C=C/CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100102629194 [0,2,0,0,0,0|1,0,1]=4 2516 B15R1.559 C=CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000754431 [0,2,0,0,0,0|1,0,1]=4 2517 B15R1.559 CC#CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000748600 [0,2,0,0,0,0|1,0,1]=4 2518 B15R1.559 CC(=O)c1cc(ccc1SCCCF)Br 62a_100012349576_100011934791 [0,2,0,0,0,0|2,0,0]=4 2519 B15R1.559 CC(=O)c1cc(ccc1SCCCF)C 62a_100011934791_100012361225 [0,2,0,0,0,0|2,0,0]=4 2520 B15R1.559 CC(=O)c1cc(ccc1SCCCF)C 62a_100012361225_100011934791 [0,2,0,0,0,0|2,0,0]=4 2521 B15R1.559 CC(=O)c1cc(ccc1SCCCF)F 62a_100011934791_100010200798 [0,2,0,0,0,0|2,0,0]=4 2522 B15R1.559 CC(=O)c1cc(ccc1SCCCF)F 62a_100012353695_100011934791 [0,2,0,0,0,0|2,0,0]=4 2523 B15R1.559 CC(=O)c1cc(ccc1SCCCF)N 62a_100012349454_100011934791 [0,2,0,0,0,0|2,0,0]=4 2524 B15R1.559 CC(=O)c1cc(ccc1SCCCO)Br 62a_100012349576_100011215043 [0,2,0,0,0,0|2,0,0]=4 2525 B15R1.559 CC(=O)c1cc(ccc1SCCCO)C 62a_100011215043_100012361225 [0,2,0,0,0,0|2,0,0]=4 2526 B15R1.559 CC(=O)c1cc(ccc1SCCCO)C 62a_100012361225_100011215043 [0,2,0,0,0,0|2,0,0]=4 2527 B15R1.559 CC(=O)c1cc(ccc1SCCCO)F 62a_100011215043_100010200798 [0,2,0,0,0,0|2,0,0]=4 2528 B15R1.559 CC(=O)c1cc(ccc1SCCCO)F 62a_100012353695_100011215043 [0,2,0,0,0,0|2,0,0]=4 2529 B15R1.559 CC(=O)c1cc(ccc1SCCCO)N 62a_100012349454_100011215043 [0,2,0,0,0,0|2,0,0]=4 2530 B15R1.559 CC=CCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000070051 [0,2,0,0,0,0|1,0,1]=4 2531 B15R1.559 CCCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210210 [0,2,0,0,0,0|2,0,0]=4 2532 B15R1.559 CCCCSc1ccc(cc1C(=O)C)C 62a_100000210211_100012361225 [0,2,0,0,0,0|2,0,0]=4 2533 B15R1.559 CCCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210210 [0,2,0,0,0,0|2,0,0]=4 2534 B15R1.559 CCCCSc1ccc(cc1C(=O)C)F 62a_100000210211_100010200798 [0,2,0,0,0,0|2,0,0]=4 2535 B15R1.559 CCCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210210 [0,2,0,0,0,0|2,0,0]=4 2536 B15R1.559 CCCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210210 [0,2,0,0,0,0|2,0,0]=4 2537 B15R1.559 CCCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210210 [0,2,0,0,0,0|2,0,0]=4 2538 B15R1.559 CCCCSc1ccc(cc1C(=O)N)C 62a_100000210211_200012349609 [0,2,0,0,0,0|2,0,0]=4 2539 B15R1.559 CCCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210210 [0,2,0,0,0,0|2,0,0]=4 2540 B15R1.559 CCCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210210 [0,2,0,0,0,0|2,0,0]=4 2541 B15R1.559 CCCCSc1ccc(cc1C(=O)N)F 62a_100000210211_100000206434 [0,2,0,0,0,0|2,0,0]=4 2542 B15R1.559 CCCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210210 [0,2,0,0,0,0|2,0,0]=4 2543 B15R1.559 CCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210210 [0,2,0,0,0,0|1,0,0]=3 2544 B15R1.559 CCOCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000739092 [0,2,0,0,0,0|2,0,0]=4 2545 B15R1.559 CCOCSc1ccc(cc1C(=O)C)C 62a_100000739092_100012361225 [0,2,0,0,0,0|2,0,0]=4 2546 B15R1.559 CCOCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000739092 [0,2,0,0,0,0|2,0,0]=4 2547 B15R1.559 CCOCSc1ccc(cc1C(=O)C)F 62a_100000739092_100010200798 [0,2,0,0,0,0|2,0,0]=4 2548 B15R1.559 CCOCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000739092 [0,2,0,0,0,0|2,0,0]=4 2549 B15R1.559 CCOCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000739092 [0,2,0,0,0,0|2,0,0]=4 2550 B15R1.559 CCOCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000739092 [0,2,0,0,0,0|2,0,0]=4 2551 B15R1.559 CCOCSc1ccc(cc1C(=O)N)C 62a_100000739092_200012349609 [0,2,0,0,0,0|2,0,0]=4 2552 B15R1.559 CCOCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000739092 [0,2,0,0,0,0|2,0,0]=4 2553 B15R1.559 CCOCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000739092 [0,2,0,0,0,0|2,0,0]=4 2554 B15R1.559 CCOCSc1ccc(cc1C(=O)N)F 62a_100000739092_100000206434 [0,2,0,0,0,0|2,0,0]=4 2555 B15R1.559 CCOCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000739092 [0,2,0,0,0,0|2,0,0]=4 2556 B15R1.559 CCOCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000739092 [0,2,0,0,0,0|1,0,0]=3 2557 B15R1.559 COCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000233755 [0,2,0,0,0,0|2,0,0]=4 2558 B15R1.559 COCCSc1ccc(cc1C(=O)C)C 62a_100000233755_100012361225 [0,2,0,0,0,0|2,0,0]=4 2559 B15R1.559 COCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000233755 [0,2,0,0,0,0|2,0,0]=4 2560 B15R1.559 COCCSc1ccc(cc1C(=O)C)F 62a_100000233755_100010200798 [0,2,0,0,0,0|2,0,0]=4 2561 B15R1.559 COCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000233755 [0,2,0,0,0,0|2,0,0]=4 2562 B15R1.559 COCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000233755 [0,2,0,0,0,0|2,0,0]=4 2563 B15R1.559 COCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000233755 [0,2,0,0,0,0|2,0,0]=4 2564 B15R1.559 COCCSc1ccc(cc1C(=O)N)C 62a_100000233755_200012349609 [0,2,0,0,0,0|2,0,0]=4 2565 B15R1.559 COCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000233755 [0,2,0,0,0,0|2,0,0]=4 2566 B15R1.559 COCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000233755 [0,2,0,0,0,0|2,0,0]=4 2567 B15R1.559 COCCSc1ccc(cc1C(=O)N)F 62a_100000233755_100000206434 [0,2,0,0,0,0|2,0,0]=4 2568 B15R1.559 COCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000233755 [0,2,0,0,0,0|2,0,0]=4 2569 B15R1.559 COCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000233755 [0,2,0,0,0,0|1,0,0]=3 2570 B15R1.559 CSCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000751147 [0,2,0,0,0,0|2,0,0]=4 2571 B15R1.559 CSCCSc1ccc(cc1C(=O)C)C 62a_100000212216_100012361225 [0,2,0,0,0,0|2,0,0]=4 2572 B15R1.559 CSCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000751147 [0,2,0,0,0,0|2,0,0]=4 2573 B15R1.559 CSCCSc1ccc(cc1C(=O)C)F 62a_100000212216_100010200798 [0,2,0,0,0,0|2,0,0]=4 2574 B15R1.559 CSCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000751147 [0,2,0,0,0,0|2,0,0]=4 2575 B15R1.559 CSCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000751147 [0,2,0,0,0,0|2,0,0]=4 2576 B15R1.559 CSCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000751147 [0,2,0,0,0,0|2,0,0]=4 2577 B15R1.559 CSCCSc1ccc(cc1C(=O)N)C 62a_100000212216_200012349609 [0,2,0,0,0,0|2,0,0]=4 2578 B15R1.559 CSCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000751147 [0,2,0,0,0,0|2,0,0]=4 2579 B15R1.559 CSCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000751147 [0,2,0,0,0,0|2,0,0]=4 2580 B15R1.559 CSCCSc1ccc(cc1C(=O)N)F 62a_100000212216_100000206434 [0,2,0,0,0,0|2,0,0]=4 2581 B15R1.559 CSCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000751147 [0,2,0,0,0,0|2,0,0]=4 2582 B15R1.559 CSCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000751147 [0,2,0,0,0,0|1,0,0]=3 2583 B15R1.559 Cc1ccc(c(c1)C(=O)N)SCCCF 62a_100011934791_200012349609 [0,2,0,0,0,0|2,0,0]=4 2584 B15R1.559 Cc1ccc(c(c1)C(=O)N)SCCCF 62a_200012349609_100011934791 [0,2,0,0,0,0|2,0,0]=4 2585 B15R1.559 Cc1ccc(c(c1)C(=O)N)SCCCO 62a_100011215043_200012349609 [0,2,0,0,0,0|2,0,0]=4 2586 B15R1.559 Cc1ccc(c(c1)C(=O)N)SCCCO 62a_200012349609_100011215043 [0,2,0,0,0,0|2,0,0]=4 2587 B15R1.559 N#CCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011215226 [0,2,0,0,0,0|1,0,1]=4 2588 B15R1.559 NC(=O)c1cc(ccc1SCCCF)Br 62a_200000162314_100011934791 [0,2,0,0,0,0|2,0,0]=4 2589 B15R1.559 NC(=O)c1cc(ccc1SCCCF)F 62a_100000206434_100011934791 [0,2,0,0,0,0|2,0,0]=4 2590 B15R1.559 NC(=O)c1cc(ccc1SCCCF)F 62a_100011934791_100000206434 [0,2,0,0,0,0|2,0,0]=4 2591 B15R1.559 NC(=O)c1cc(ccc1SCCCF)N 62a_100015186447_100011934791 [0,2,0,0,0,0|2,0,0]=4 2592 B15R1.559 NC(=O)c1cc(ccc1SCCCO)Br 62a_200000162314_100011215043 [0,2,0,0,0,0|2,0,0]=4 2593 B15R1.559 NC(=O)c1cc(ccc1SCCCO)F 62a_100000206434_100011215043 [0,2,0,0,0,0|2,0,0]=4 2594 B15R1.559 NC(=O)c1cc(ccc1SCCCO)F 62a_100011215043_100000206434 [0,2,0,0,0,0|2,0,0]=4 2595 B15R1.559 NC(=O)c1cc(ccc1SCCCO)N 62a_100015186447_100011215043 [0,2,0,0,0,0|2,0,0]=4 2596 B15R1.559 O=C(O)c1cc(ccc1SCCCF)Br 62a_100011072988_100011934791 [0,2,0,0,0,0|1,0,0]=3 2597 B15R1.559 O=C(O)c1cc(ccc1SCCCO)Br 62a_100011072988_100011215043 [0,2,0,0,0,0|1,0,0]=3 2598 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)Br 62a_100012349576_100000758301 [0,2,0,0,0,0|2,0,0]=4 2599 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)C 62a_100000758301_100012361225 [0,2,0,0,0,0|2,0,0]=4 2600 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)C 62a_100012361225_100000758301 [0,2,0,0,0,0|2,0,0]=4 2601 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)F 62a_100000758301_100010200798 [0,2,0,0,0,0|2,0,0]=4 2602 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)F 62a_100012353695_100000758301 [0,2,0,0,0,0|2,0,0]=4 2603 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)C)N 62a_100012349454_100000758301 [0,2,0,0,0,0|2,0,0]=4 2604 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)Br 62a_200000162314_100000758301 [0,2,0,0,0,0|2,0,0]=4 2605 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)C 62a_100000758301_200012349609 [0,2,0,0,0,0|2,0,0]=4 2606 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)C 62a_200012349609_100000758301 [0,2,0,0,0,0|2,0,0]=4 2607 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)F 62a_100000206434_100000758301 [0,2,0,0,0,0|2,0,0]=4 2608 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)F 62a_100000758301_100000206434 [0,2,0,0,0,0|2,0,0]=4 2609 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)N)N 62a_100015186447_100000758301 [0,2,0,0,0,0|2,0,0]=4 2610 B15R1.2996 CCC(C)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100000758301 [0,2,0,0,0,0|1,0,0]=3 2611 B15R1.2996 COC(C)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100009879195 [0,2,0,0,0,0|2,0,0]=4 2612 B15R1.2996 C[C@H](CO)Sc1ccc(cc1C(=O)O)Br 62a_100011072988_100016084084 [0,2,0,0,0,0|2,0,0]=4 2613 B15R1.8415 C=C(C)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000211660 [0,2,0,0,0,0|1,0,1]=4 2614 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)Br 62a_100012349576_100000210760 [0,2,0,0,0,0|2,0,0]=4 2615 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)C 62a_100000210624_100012361225 [0,2,0,0,0,0|2,0,0]=4 2616 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)C 62a_100012361225_100000210760 [0,2,0,0,0,0|2,0,0]=4 2617 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)F 62a_100000210624_100010200798 [0,2,0,0,0,0|2,0,0]=4 2618 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)F 62a_100012353695_100000210760 [0,2,0,0,0,0|2,0,0]=4 2619 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)C)N 62a_100012349454_100000210760 [0,2,0,0,0,0|2,0,0]=4 2620 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)Br 62a_100012349576_100011218427 [0,2,0,0,0,0|2,0,0]=4 2621 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)C 62a_100011218427_100012361225 [0,2,0,0,0,0|2,0,0]=4 2622 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)C 62a_100012361225_100011218427 [0,2,0,0,0,0|2,0,0]=4 2623 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)F 62a_100011218427_100010200798 [0,2,0,0,0,0|2,0,0]=4 2624 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)F 62a_100012353695_100011218427 [0,2,0,0,0,0|2,0,0]=4 2625 B15R1.8415 CC(=O)c1cc(ccc1SCC(C)O)N 62a_100012349454_100011218427 [0,2,0,0,0,0|2,0,0]=4 2626 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)Br 62a_100012349576_100009817552 [0,2,0,0,0,0|2,0,0]=4 2627 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)C 62a_100009817552_100012361225 [0,2,0,0,0,0|2,0,0]=4 2628 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)C 62a_100012361225_100009817552 [0,2,0,0,0,0|2,0,0]=4 2629 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100010200798 [0,2,0,0,0,0|2,0,0]=4 2630 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)F 62a_100012353695_100009817552 [0,2,0,0,0,0|2,0,0]=4 2631 B15R1.8415 CC(=O)c1cc(ccc1SC[C@@H](C)O)N 62a_100012349454_100009817552 [0,2,0,0,0,0|2,0,0]=4 2632 B15R1.8415 CC(C)CSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210760 [0,2,0,0,0,0|2,0,0]=4 2633 B15R1.8415 CC(C)CSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210760 [0,2,0,0,0,0|2,0,0]=4 2634 B15R1.8415 CC(C)CSc1ccc(cc1C(=O)N)F 62a_100000210624_100000206434 [0,2,0,0,0,0|2,0,0]=4 2635 B15R1.8415 CC(C)CSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210760 [0,2,0,0,0,0|2,0,0]=4 2636 B15R1.8415 CC(C)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210760 [0,2,0,0,0,0|1,0,0]=3 2637 B15R1.8415 CC(O)CSc1ccc(cc1C(=O)N)Br 62a_200000162314_100011218427 [0,2,0,0,0,0|2,0,0]=4 2638 B15R1.8415 CC(O)CSc1ccc(cc1C(=O)N)F 62a_100000206434_100011218427 [0,2,0,0,0,0|2,0,0]=4 2639 B15R1.8415 CC(O)CSc1ccc(cc1C(=O)N)F 62a_100011218427_100000206434 [0,2,0,0,0,0|2,0,0]=4 2640 B15R1.8415 CC(O)CSc1ccc(cc1C(=O)N)N 62a_100015186447_100011218427 [0,2,0,0,0,0|2,0,0]=4 2641 B15R1.8415 CC(O)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100011218427 [0,2,0,0,0,0|1,0,0]=3 2642 B15R1.8415 C[C@@H](O)CSc1ccc(cc1C(=O)N)Br 62a_200000162314_100009817552 [0,2,0,0,0,0|2,0,0]=4 2643 B15R1.8415 C[C@@H](O)CSc1ccc(cc1C(=O)N)F 62a_100000206434_100009817552 [0,2,0,0,0,0|2,0,0]=4 2644 B15R1.8415 C[C@@H](O)CSc1ccc(cc1C(=O)N)F 62a_100009817552_100000206434 [0,2,0,0,0,0|2,0,0]=4 2645 B15R1.8415 C[C@@H](O)CSc1ccc(cc1C(=O)N)N 62a_100015186447_100009817552 [0,2,0,0,0,0|2,0,0]=4 2646 B15R1.8415 C[C@@H](O)CSc1ccc(cc1C(=O)O)Br 62a_100011072988_100009817552 [0,2,0,0,0,0|1,0,0]=3 2647 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SCC(C)C 62a_100000210624_200012349609 [0,2,0,0,0,0|2,0,0]=4 2648 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SCC(C)C 62a_200012349609_100000210760 [0,2,0,0,0,0|2,0,0]=4 2649 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SCC(C)O 62a_100011218427_200012349609 [0,2,0,0,0,0|2,0,0]=4 2650 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SCC(C)O 62a_200012349609_100011218427 [0,2,0,0,0,0|2,0,0]=4 2651 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SC[C@@H](C)O 62a_100009817552_200012349609 [0,2,0,0,0,0|2,0,0]=4 2652 B15R1.8415 Cc1ccc(c(c1)C(=O)N)SC[C@@H](C)O 62a_200012349609_100009817552 [0,2,0,0,0,0|2,0,0]=4 2653 B15R1.8415 O=C(O)c1cc(ccc1SCC(F)F)Br 62a_100011072988_100011934356 [0,2,0,0,0,0|2,0,0]=4 2654 B15R1.10569 CCCN(C)c1ccc(cc1C(=O)O)C 269956a_100000216465_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B15R1.10569 CCCN([13CH3])c1ccc(cc1C(=O)O)C 269956a_100000216465_200025704644 [0,2,0,0,0,0|2,0,0]=4 2656 B15R1.10884 CCCSc1ccc(cc1C(=O)C)OC 62a_100011360761_100000210303 [0,2,0,0,0,0|2,0,0]=4 2657 B15R1.10884 CCCSc1ccc(cc1C(=O)N)OC 62a_100000162014_100000210303 [0,2,0,0,0,0|2,0,0]=4 2658 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)Br 271570a_100020621405_100000148213 [0,2,0,0,0,0|2,0,0]=4 2659 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)C 271570a_100020621405_100012339458 [0,2,0,0,0,0|2,0,0]=4 2660 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)Cl 271570a_100020621405_100011294804 [0,2,0,0,0,0|2,0,0]=4 2661 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)F 271570a_100020621405_100000205820 [0,2,0,0,0,0|2,0,0]=4 2662 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)N 271570a_100020621405_100000696289 [0,2,0,0,0,0|2,0,0]=4 2663 B15R1.10885 CCCCc1ccc(cc1C(=O)OC)O 271570a_100020621405_100010230369 [0,2,0,0,0,0|2,0,0]=4 2664 B15R1.10885 CCCOc1ccc(cc1C(=O)NO)Cl 34a_100000199126_100000210303 [0,2,0,0,0,0|1,1,0]=4 2665 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)Br 34a_100000149267_100000210303 [0,2,0,0,0,0|1,1,0]=4 2666 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)Br 7a_100000149267_100000210303 [0,2,0,0,0,0|1,1,0]=4 2667 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)C 34a_100000216618_100000210303 [0,2,0,0,0,0|1,1,0]=4 2668 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)C 7a_100000216618_100000210303 [0,2,0,0,0,0|1,1,0]=4 2669 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)Cl 34a_100000149278_100000210303 [0,2,0,0,0,0|1,1,0]=4 2670 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)Cl 7a_100000149278_100000210303 [0,2,0,0,0,0|1,1,0]=4 2671 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)F 34a_100011219540_100000210303 [0,2,0,0,0,0|1,1,0]=4 2672 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)F 7a_100011219540_100000210303 [0,2,0,0,0,0|1,1,0]=4 2673 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)I 34a_100000149868_100000210303 [0,2,0,0,0,0|1,1,0]=4 2674 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)I 7a_100000149868_100000210303 [0,2,0,0,0,0|1,1,0]=4 2675 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)N 34a_100011246163_100000210303 [0,2,0,0,0,0|1,1,0]=4 2676 B15R1.10885 CCCOc1ccc(cc1C(=O)OC)N 7a_100011246163_100000210303 [0,2,0,0,0,0|1,1,0]=4 2677 B15R1.10885 CCCSc1ccc(cc1C(=O)NC)Cl 62a_100000210303_200011279454 [0,2,0,0,0,0|2,0,0]=4 2678 B15R1.10885 CCCSc1ccc(cc1C(=O)NC)Cl 62a_200011279454_100000210303 [0,2,0,0,0,0|2,0,0]=4 2679 B15R1.10885 CCCSc1ccc(cc1C(=O)NC)F 62a_100000210303_200000206232 [0,2,0,0,0,0|2,0,0]=4 2680 B15R1.10885 CCCSc1ccc(cc1C(=O)NC)F 62a_200000206232_100000210303 [0,2,0,0,0,0|2,0,0]=4 2681 B15R1.10885 CCCSc1ccc(cc1C(=O)NN)F 62a_100000205862_100000210303 [0,2,0,0,0,0|2,0,0]=4 2682 B15R1.10885 CCCSc1ccc(cc1C(=O)NN)F 62a_100000210303_100000205862 [0,2,0,0,0,0|2,0,0]=4 2683 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)Br 62a_100000148213_100000210303 [0,2,0,0,0,0|1,0,0]=3 2684 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)Br 62a_100000210303_100000148213 [0,2,0,0,0,0|1,0,0]=3 2685 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)C 62a_100000210303_100012339458 [0,2,0,0,0,0|1,0,0]=3 2686 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)C 62a_100012339458_100000210303 [0,2,0,0,0,0|1,0,0]=3 2687 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)Cl 62a_100000210303_100011294804 [0,2,0,0,0,0|1,0,0]=3 2688 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)Cl 62a_100011294804_100000210303 [0,2,0,0,0,0|1,0,0]=3 2689 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)F 62a_100000205820_100000210303 [0,2,0,0,0,0|1,0,0]=3 2690 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)F 62a_100000210303_100000205820 [0,2,0,0,0,0|1,0,0]=3 2691 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)N 62a_100000210303_100011794239 [0,2,0,0,0,0|1,0,0]=3 2692 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)N 62a_100000696289_100000210303 [0,2,0,0,0,0|1,0,0]=3 2693 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)O 62a_100000210303_100010230369 [0,2,0,0,0,0|1,0,0]=3 2694 B15R1.10885 CCCSc1ccc(cc1C(=O)OC)O 62a_100010230369_100000210303 [0,2,0,0,0,0|1,0,0]=3 2695 B15R1.10885 CCCSc1ccc(nc1C(=O)OC)N 62a_100009816986_100000210303 [0,2,0,0,0,0|2,0,0]=4 2696 B15R1.10885 CCCSc1cnc(cc1C(=O)OC)N 62a_100000210303_100011934820 [0,2,0,0,0,0|2,0,0]=4 2697 B15R1.10885 CCCSc1cnc(cc1C(=O)OC)N 62a_100011934820_100000210303 [0,2,0,0,0,0|2,0,0]=4 2698 B15R1.10885 CCCSc1cnc(cc1C(=O)OC)O 62a_100000210303_100009816900 [0,2,0,0,0,0|2,0,0]=4 2699 B15R1.10885 CCCSc1cnc(cc1C(=O)OC)O 62a_100009816900_100000210303 [0,2,0,0,0,0|2,0,0]=4 2700 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)C 62a_100000210303_100000085774 [0,2,0,0,0,0|2,0,0]=4 2701 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)C 62a_100010162703_100000210303 [0,2,0,0,0,0|2,0,0]=4 2702 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)F 62a_100000210303_100012000215 [0,2,0,0,0,0|2,0,0]=4 2703 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)F 62a_100012000215_100000210303 [0,2,0,0,0,0|2,0,0]=4 2704 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)N 62a_100000210303_200012182668 [0,2,0,0,0,0|2,0,0]=4 2705 B15R1.10885 CCCSc1ncc(cc1C(=O)OC)N 62a_200012182668_100000210303 [0,2,0,0,0,0|2,0,0]=4 2706 B15R1.10885 CCNCc1ccc(cc1C(=O)OC)Br 2230a_100015525214_100000728005 [0,2,0,0,0,0|2,0,0]=4 2707 B15R1.10885 CCNCc1ccc(cc1C(=O)OC)Cl 2230a_100015525214_100012352085 [0,2,0,0,0,0|2,0,0]=4 2708 B15R1.10885 CCNCc1ccc(cc1C(=O)OC)F 2230a_100015525214_100000751459 [0,2,0,0,0,0|2,0,0]=4 2709 B15R1.10885 CCNCc1ccc(cc1C(=O)OC)I 2230a_100015525214_100011096949 [0,2,0,0,0,0|2,0,0]=4 2710 B15R1.10885 CCOCc1ccc(cc1C(=O)OC)Br 34a_100121572206_100000728005 [0,2,0,0,0,0|2,0,0]=4 2711 B15R1.10885 CCOCc1ccc(cc1C(=O)OC)Cl 34a_100121572206_100012352085 [0,2,0,0,0,0|2,0,0]=4 2712 B15R1.10885 CCOCc1ccc(cc1C(=O)OC)F 34a_100121572206_100000751459 [0,2,0,0,0,0|2,0,0]=4 2713 B15R1.10885 CCOCc1ccc(cc1C(=O)OC)I 34a_100121572206_100011096949 [0,2,0,0,0,0|2,0,0]=4 2714 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)Br 62a_100000728005_100000210202 [0,2,0,0,0,0|2,0,0]=4 2715 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)Cl 62a_100000210202_100012352085 [0,2,0,0,0,0|2,0,0]=4 2716 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)Cl 62a_100012352085_100000210202 [0,2,0,0,0,0|2,0,0]=4 2717 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)F 62a_100000210202_100000751459 [0,2,0,0,0,0|2,0,0]=4 2718 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)F 62a_100000751459_100000210202 [0,2,0,0,0,0|2,0,0]=4 2719 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)I 62a_100000210202_100011096949 [0,2,0,0,0,0|2,0,0]=4 2720 B15R1.10885 CCSCc1ccc(cc1C(=O)OC)I 62a_100011096949_100000210202 [0,2,0,0,0,0|2,0,0]=4 2721 B15R1.10885 COC(=O)c1cc(ccc1SCCF)Br 62a_100000148213_100011217306 [0,2,0,0,0,0|2,0,0]=4 2722 B15R1.10885 COC(=O)c1cc(ccc1SCCF)Br 62a_100011217306_100000148213 [0,2,0,0,0,0|2,0,0]=4 2723 B15R1.10885 COC(=O)c1cc(ccc1SCCF)C 62a_100011217306_100012339458 [0,2,0,0,0,0|2,0,0]=4 2724 B15R1.10885 COC(=O)c1cc(ccc1SCCF)C 62a_100012339458_100011217306 [0,2,0,0,0,0|2,0,0]=4 2725 B15R1.10885 COC(=O)c1cc(ccc1SCCF)Cl 62a_100011217306_100011294804 [0,2,0,0,0,0|2,0,0]=4 2726 B15R1.10885 COC(=O)c1cc(ccc1SCCF)Cl 62a_100011294804_100011217306 [0,2,0,0,0,0|2,0,0]=4 2727 B15R1.10885 COC(=O)c1cc(ccc1SCCF)F 62a_100000205820_100011217306 [0,2,0,0,0,0|2,0,0]=4 2728 B15R1.10885 COC(=O)c1cc(ccc1SCCF)F 62a_100011217306_100000205820 [0,2,0,0,0,0|2,0,0]=4 2729 B15R1.10885 COC(=O)c1cc(ccc1SCCF)N 62a_100000696289_100011217306 [0,2,0,0,0,0|2,0,0]=4 2730 B15R1.10885 COC(=O)c1cc(ccc1SCCF)N 62a_100011217306_100011794239 [0,2,0,0,0,0|2,0,0]=4 2731 B15R1.10885 COC(=O)c1cc(ccc1SCCF)O 62a_100010230369_100011217306 [0,2,0,0,0,0|2,0,0]=4 2732 B15R1.10885 COC(=O)c1cc(ccc1SCCF)O 62a_100011217306_100010230369 [0,2,0,0,0,0|2,0,0]=4 2733 B15R1.10885 COC(=O)c1cc(ccc1SCCO)Br 62a_100000148213_100000211926 [0,2,0,0,0,0|2,0,0]=4 2734 B15R1.10885 COC(=O)c1cc(ccc1SCCO)Br 62a_100000211926_100000148213 [0,2,0,0,0,0|2,0,0]=4 2735 B15R1.10885 COC(=O)c1cc(ccc1SCCO)C 62a_100000211926_100012339458 [0,2,0,0,0,0|2,0,0]=4 2736 B15R1.10885 COC(=O)c1cc(ccc1SCCO)C 62a_100012339458_100000211926 [0,2,0,0,0,0|2,0,0]=4 2737 B15R1.10885 COC(=O)c1cc(ccc1SCCO)Cl 62a_100000211926_100011294804 [0,2,0,0,0,0|2,0,0]=4 2738 B15R1.10885 COC(=O)c1cc(ccc1SCCO)Cl 62a_100011294804_100000211926 [0,2,0,0,0,0|2,0,0]=4 2739 B15R1.10885 COC(=O)c1cc(ccc1SCCO)F 62a_100000205820_100000211926 [0,2,0,0,0,0|2,0,0]=4 2740 B15R1.10885 COC(=O)c1cc(ccc1SCCO)F 62a_100000211926_100000205820 [0,2,0,0,0,0|2,0,0]=4 2741 B15R1.10885 COC(=O)c1cc(ccc1SCCO)N 62a_100000211926_100011794239 [0,2,0,0,0,0|2,0,0]=4 2742 B15R1.10885 COC(=O)c1cc(ccc1SCCO)N 62a_100000696289_100000211926 [0,2,0,0,0,0|2,0,0]=4 2743 B15R1.10885 COC(=O)c1cc(ccc1SCCO)O 62a_100000211926_100010230369 [0,2,0,0,0,0|2,0,0]=4 2744 B15R1.10885 COC(=O)c1cc(ccc1SCCO)O 62a_100010230369_100000211926 [0,2,0,0,0,0|2,0,0]=4 2745 B15R1.10885 COC(=O)c1cc(ccc1SCSC)Br 62a_100000148213_100011218213 [0,2,0,0,0,0|2,0,0]=4 2746 B15R1.10885 COC(=O)c1cc(ccc1SCSC)Br 62a_100011218213_100000148213 [0,2,0,0,0,0|2,0,0]=4 2747 B15R1.10885 COC(=O)c1cc(ccc1SCSC)C 62a_100011218213_100012339458 [0,2,0,0,0,0|2,0,0]=4 2748 B15R1.10885 COC(=O)c1cc(ccc1SCSC)C 62a_100012339458_100011218213 [0,2,0,0,0,0|2,0,0]=4 2749 B15R1.10885 COC(=O)c1cc(ccc1SCSC)Cl 62a_100011218213_100011294804 [0,2,0,0,0,0|2,0,0]=4 2750 B15R1.10885 COC(=O)c1cc(ccc1SCSC)Cl 62a_100011294804_100011218213 [0,2,0,0,0,0|2,0,0]=4 2751 B15R1.10885 COC(=O)c1cc(ccc1SCSC)F 62a_100000205820_100011218213 [0,2,0,0,0,0|2,0,0]=4 2752 B15R1.10885 COC(=O)c1cc(ccc1SCSC)F 62a_100011218213_100000205820 [0,2,0,0,0,0|2,0,0]=4 2753 B15R1.10885 COC(=O)c1cc(ccc1SCSC)N 62a_100000696289_100011218213 [0,2,0,0,0,0|2,0,0]=4 2754 B15R1.10885 COC(=O)c1cc(ccc1SCSC)N 62a_100011218213_100011794239 [0,2,0,0,0,0|2,0,0]=4 2755 B15R1.10885 COC(=O)c1cc(ccc1SCSC)O 62a_100010230369_100011218213 [0,2,0,0,0,0|2,0,0]=4 2756 B15R1.10885 COC(=O)c1cc(ccc1SCSC)O 62a_100011218213_100010230369 [0,2,0,0,0,0|2,0,0]=4 2757 B15R1.10885 COCSc1ccc(cc1C(=O)OC)Br 62a_100000148213_100000766300 [0,2,0,0,0,0|2,0,0]=4 2758 B15R1.10885 COCSc1ccc(cc1C(=O)OC)Br 62a_100000766300_100000148213 [0,2,0,0,0,0|2,0,0]=4 2759 B15R1.10885 COCSc1ccc(cc1C(=O)OC)C 62a_100000766300_100012339458 [0,2,0,0,0,0|2,0,0]=4 2760 B15R1.10885 COCSc1ccc(cc1C(=O)OC)C 62a_100012339458_100000766300 [0,2,0,0,0,0|2,0,0]=4 2761 B15R1.10885 COCSc1ccc(cc1C(=O)OC)Cl 62a_100000766300_100011294804 [0,2,0,0,0,0|2,0,0]=4 2762 B15R1.10885 COCSc1ccc(cc1C(=O)OC)Cl 62a_100011294804_100000766300 [0,2,0,0,0,0|2,0,0]=4 2763 B15R1.10885 COCSc1ccc(cc1C(=O)OC)F 62a_100000205820_100000766300 [0,2,0,0,0,0|2,0,0]=4 2764 B15R1.10885 COCSc1ccc(cc1C(=O)OC)F 62a_100000766300_100000205820 [0,2,0,0,0,0|2,0,0]=4 2765 B15R1.10885 COCSc1ccc(cc1C(=O)OC)N 62a_100000696289_100000766300 [0,2,0,0,0,0|2,0,0]=4 2766 B15R1.10885 COCSc1ccc(cc1C(=O)OC)N 62a_100000766300_100011794239 [0,2,0,0,0,0|2,0,0]=4 2767 B15R1.10885 COCSc1ccc(cc1C(=O)OC)O 62a_100000766300_100010230369 [0,2,0,0,0,0|2,0,0]=4 2768 B15R1.10885 COCSc1ccc(cc1C(=O)OC)O 62a_100010230369_100000766300 [0,2,0,0,0,0|2,0,0]=4 2769 B15R1.23233 CCCSc1cc(c(cc1C(=O)C)F)F 62a_100013243444_100000210303 [0,2,0,0,0,0|2,0,0]=4 2770 B15R1.812 CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210303 [0,2,0,0,0,0|2,0,0]=4 2771 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000210303 [0,2,0,0,0,0|2,0,0]=4 2772 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210303 [0,2,0,0,0,0|2,0,0]=4 2773 B15R1.812 CCNC(=O)c1ccccc1C(=O)OC 240690a_100015525214_100011215673 [0,2,0,0,0,0|2,0,0]=4 2774 B15R1.1239 CCCCN(C)c1ccccc1C(=O)O 269956a_100000183030_200000210301 [0,2,0,0,0,0|2,0,0]=4 2775 B15R1.1239 CCCCN([13CH3])c1ccccc1C(=O)O 269956a_100000183030_200025704644 [0,2,0,0,0,0|2,0,0]=4 2776 B15R1.5509 CC(C)CN(C)c1ccccc1C(=O)O 269956a_100000216462_200000210301 [0,2,0,0,0,0|2,0,0]=4 2777 B15R1.5509 CC(C)CN([13CH3])c1ccccc1C(=O)O 269956a_100000216462_200025704644 [0,2,0,0,0,0|2,0,0]=4 2778 B15R1.1159 CC(=O)c1ccc(cc1SCCCF)C 62a_100011934791_100012353930 [0,2,0,0,0,0|2,0,0]=4 2779 B15R1.1159 CC(=O)c1ccc(cc1SCCCF)C 62a_100012353930_100011934791 [0,2,0,0,0,0|2,0,0]=4 2780 B15R1.1159 CC(=O)c1ccc(cc1SCCCF)F 62a_100000686192_100011934791 [0,2,0,0,0,0|2,0,0]=4 2781 B15R1.1159 CC(=O)c1ccc(cc1SCCCF)O 62a_100012340537_100011934791 [0,2,0,0,0,0|2,0,0]=4 2782 B15R1.1159 CC(=O)c1ccc(cc1SCCCO)C 62a_100011215043_100012353930 [0,2,0,0,0,0|2,0,0]=4 2783 B15R1.1159 CC(=O)c1ccc(cc1SCCCO)C 62a_100012353930_100011215043 [0,2,0,0,0,0|2,0,0]=4 2784 B15R1.1159 CC(=O)c1ccc(cc1SCCCO)F 62a_100000686192_100011215043 [0,2,0,0,0,0|2,0,0]=4 2785 B15R1.1159 CC(=O)c1ccc(cc1SCCCO)O 62a_100012340537_100011215043 [0,2,0,0,0,0|2,0,0]=4 2786 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)C 62a_100000210211_100012353930 [0,2,0,0,0,0|2,0,0]=4 2787 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210210 [0,2,0,0,0,0|2,0,0]=4 2788 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210210 [0,2,0,0,0,0|2,0,0]=4 2789 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210210 [0,2,0,0,0,0|2,0,0]=4 2790 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210210 [0,2,0,0,0,0|2,0,0]=4 2791 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210210 [0,2,0,0,0,0|2,0,0]=4 2792 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)F 62a_100000210211_100000206404 [0,2,0,0,0,0|2,0,0]=4 2793 B15R1.1159 CCOCSc1cc(ccc1C(=O)C)C 62a_100000739092_100012353930 [0,2,0,0,0,0|2,0,0]=4 2794 B15R1.1159 CCOCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000739092 [0,2,0,0,0,0|2,0,0]=4 2795 B15R1.1159 CCOCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000739092 [0,2,0,0,0,0|2,0,0]=4 2796 B15R1.1159 CCOCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000739092 [0,2,0,0,0,0|2,0,0]=4 2797 B15R1.1159 CCOCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000739092 [0,2,0,0,0,0|2,0,0]=4 2798 B15R1.1159 CCOCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000739092 [0,2,0,0,0,0|2,0,0]=4 2799 B15R1.1159 CCOCSc1cc(ccc1C(=O)N)F 62a_100000739092_100000206404 [0,2,0,0,0,0|2,0,0]=4 2800 B15R1.1159 COCCSc1cc(ccc1C(=O)C)C 62a_100000233755_100012353930 [0,2,0,0,0,0|2,0,0]=4 2801 B15R1.1159 COCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000233755 [0,2,0,0,0,0|2,0,0]=4 2802 B15R1.1159 COCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000233755 [0,2,0,0,0,0|2,0,0]=4 2803 B15R1.1159 COCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000233755 [0,2,0,0,0,0|2,0,0]=4 2804 B15R1.1159 COCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000233755 [0,2,0,0,0,0|2,0,0]=4 2805 B15R1.1159 COCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000233755 [0,2,0,0,0,0|2,0,0]=4 2806 B15R1.1159 COCCSc1cc(ccc1C(=O)N)F 62a_100000233755_100000206404 [0,2,0,0,0,0|2,0,0]=4 2807 B15R1.1159 CSCCSc1cc(ccc1C(=O)C)C 62a_100000212216_100012353930 [0,2,0,0,0,0|2,0,0]=4 2808 B15R1.1159 CSCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000751147 [0,2,0,0,0,0|2,0,0]=4 2809 B15R1.1159 CSCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000751147 [0,2,0,0,0,0|2,0,0]=4 2810 B15R1.1159 CSCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000751147 [0,2,0,0,0,0|2,0,0]=4 2811 B15R1.1159 CSCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000751147 [0,2,0,0,0,0|2,0,0]=4 2812 B15R1.1159 CSCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000751147 [0,2,0,0,0,0|2,0,0]=4 2813 B15R1.1159 CSCCSc1cc(ccc1C(=O)N)F 62a_100000212216_100000206404 [0,2,0,0,0,0|2,0,0]=4 2814 B15R1.1159 NC(=O)c1ccc(cc1SCCCF)Br 62a_100009815748_100011934791 [0,2,0,0,0,0|2,0,0]=4 2815 B15R1.1159 NC(=O)c1ccc(cc1SCCCF)F 62a_100000206404_100011934791 [0,2,0,0,0,0|2,0,0]=4 2816 B15R1.1159 NC(=O)c1ccc(cc1SCCCF)F 62a_100011934791_100000206404 [0,2,0,0,0,0|2,0,0]=4 2817 B15R1.1159 NC(=O)c1ccc(cc1SCCCO)Br 62a_100009815748_100011215043 [0,2,0,0,0,0|2,0,0]=4 2818 B15R1.1159 NC(=O)c1ccc(cc1SCCCO)F 62a_100000206404_100011215043 [0,2,0,0,0,0|2,0,0]=4 2819 B15R1.1159 NC(=O)c1ccc(cc1SCCCO)F 62a_100011215043_100000206404 [0,2,0,0,0,0|2,0,0]=4 2820 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)C)C 62a_100000758301_100012353930 [0,2,0,0,0,0|2,0,0]=4 2821 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)C)C 62a_100012353930_100000758301 [0,2,0,0,0,0|2,0,0]=4 2822 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)C)F 62a_100000686192_100000758301 [0,2,0,0,0,0|2,0,0]=4 2823 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)C)O 62a_100012340537_100000758301 [0,2,0,0,0,0|2,0,0]=4 2824 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)N)Br 62a_100009815748_100000758301 [0,2,0,0,0,0|2,0,0]=4 2825 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)N)F 62a_100000206404_100000758301 [0,2,0,0,0,0|2,0,0]=4 2826 B15R1.3825 CCC(C)Sc1cc(ccc1C(=O)N)F 62a_100000758301_100000206404 [0,2,0,0,0,0|2,0,0]=4 2827 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)C)C 62a_100000210624_100012353930 [0,2,0,0,0,0|2,0,0]=4 2828 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)C)C 62a_100012353930_100000210760 [0,2,0,0,0,0|2,0,0]=4 2829 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)C)F 62a_100000686192_100000210760 [0,2,0,0,0,0|2,0,0]=4 2830 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)C)O 62a_100012340537_100000210760 [0,2,0,0,0,0|2,0,0]=4 2831 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)O)C 62a_100011218427_100012353930 [0,2,0,0,0,0|2,0,0]=4 2832 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)O)C 62a_100012353930_100011218427 [0,2,0,0,0,0|2,0,0]=4 2833 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)O)F 62a_100000686192_100011218427 [0,2,0,0,0,0|2,0,0]=4 2834 B15R1.8435 CC(=O)c1ccc(cc1SCC(C)O)O 62a_100012340537_100011218427 [0,2,0,0,0,0|2,0,0]=4 2835 B15R1.8435 CC(=O)c1ccc(cc1SC[C@@H](C)O)C 62a_100009817552_100012353930 [0,2,0,0,0,0|2,0,0]=4 2836 B15R1.8435 CC(=O)c1ccc(cc1SC[C@@H](C)O)C 62a_100012353930_100009817552 [0,2,0,0,0,0|2,0,0]=4 2837 B15R1.8435 CC(=O)c1ccc(cc1SC[C@@H](C)O)F 62a_100000686192_100009817552 [0,2,0,0,0,0|2,0,0]=4 2838 B15R1.8435 CC(=O)c1ccc(cc1SC[C@@H](C)O)O 62a_100012340537_100009817552 [0,2,0,0,0,0|2,0,0]=4 2839 B15R1.8435 CC(C)CSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210760 [0,2,0,0,0,0|2,0,0]=4 2840 B15R1.8435 CC(C)CSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210760 [0,2,0,0,0,0|2,0,0]=4 2841 B15R1.8435 CC(C)CSc1cc(ccc1C(=O)N)F 62a_100000210624_100000206404 [0,2,0,0,0,0|2,0,0]=4 2842 B15R1.8435 CC(O)CSc1cc(ccc1C(=O)N)Br 62a_100009815748_100011218427 [0,2,0,0,0,0|2,0,0]=4 2843 B15R1.8435 CC(O)CSc1cc(ccc1C(=O)N)F 62a_100000206404_100011218427 [0,2,0,0,0,0|2,0,0]=4 2844 B15R1.8435 CC(O)CSc1cc(ccc1C(=O)N)F 62a_100011218427_100000206404 [0,2,0,0,0,0|2,0,0]=4 2845 B15R1.8435 C[C@@H](O)CSc1cc(ccc1C(=O)N)Br 62a_100009815748_100009817552 [0,2,0,0,0,0|2,0,0]=4 2846 B15R1.8435 C[C@@H](O)CSc1cc(ccc1C(=O)N)F 62a_100000206404_100009817552 [0,2,0,0,0,0|2,0,0]=4 2847 B15R1.8435 C[C@@H](O)CSc1cc(ccc1C(=O)N)F 62a_100009817552_100000206404 [0,2,0,0,0,0|2,0,0]=4 2848 B15R1.10755 CCCSc1cc(ccc1C(=O)C)OC 62a_100000697255_100000210303 [0,2,0,0,0,0|2,0,0]=4 2849 B15R1.10755 CCCSc1cc(ccc1C(=O)N)OC 62a_200009815664_100000210303 [0,2,0,0,0,0|2,0,0]=4 2850 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)Br 271570a_100020621405_100000701758 [0,2,0,0,0,0|2,0,0]=4 2851 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)C 271570a_100020621405_100012340597 [0,2,0,0,0,0|2,0,0]=4 2852 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)Cl 271570a_100020621405_100000047510 [0,2,0,0,0,0|2,0,0]=4 2853 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)F 271570a_100020621405_100000204356 [0,2,0,0,0,0|2,0,0]=4 2854 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)N 271570a_100020621405_100009998378 [0,2,0,0,0,0|2,0,0]=4 2855 B15R1.10756 CCCCc1cc(ccc1C(=O)OC)O 271570a_100020621405_100010150825 [0,2,0,0,0,0|2,0,0]=4 2856 B15R1.10756 CCCOc1cc(ccc1C(=O)NO)C 34a_200000199133_100000210303 [0,2,0,0,0,0|1,1,0]=4 2857 B15R1.10756 CCCOc1cc(ccc1C(=O)NO)Cl 34a_100000199135_100000210303 [0,2,0,0,0,0|1,1,0]=4 2858 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)Br 34a_100000699699_100000210303 [0,2,0,0,0,0|1,1,0]=4 2859 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)Br 7a_100000699699_100000210303 [0,2,0,0,0,0|1,1,0]=4 2860 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)C 34a_100000148187_100000210303 [0,2,0,0,0,0|1,1,0]=4 2861 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)C 7a_100000148187_100000210303 [0,2,0,0,0,0|1,1,0]=4 2862 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)Cl 34a_100000151441_100000210303 [0,2,0,0,0,0|1,1,0]=4 2863 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)Cl 7a_100000151441_100000210303 [0,2,0,0,0,0|1,1,0]=4 2864 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)F 34a_100011216117_100000210303 [0,2,0,0,0,0|1,1,0]=4 2865 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)F 7a_100011216117_100000210303 [0,2,0,0,0,0|1,1,0]=4 2866 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)I 7a_100000062286_100000210303 [0,2,0,0,0,0|1,1,0]=4 2867 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)N 34a_100000718744_100000210303 [0,2,0,0,0,0|1,1,0]=4 2868 B15R1.10756 CCCOc1cc(ccc1C(=O)OC)N 7a_100000718744_100000210303 [0,2,0,0,0,0|1,1,0]=4 2869 B15R1.10756 CCCSc1cc(ccc1C(=O)CC)C 62a_100000210303_200012349623 [0,2,0,0,0,0|2,0,0]=4 2870 B15R1.10756 CCCSc1cc(ccc1C(=O)CC)C 62a_200012349623_100000210303 [0,2,0,0,0,0|2,0,0]=4 2871 B15R1.10756 CCCSc1cc(ccc1C(=O)NC)F 62a_100000210303_200000206206 [0,2,0,0,0,0|2,0,0]=4 2872 B15R1.10756 CCCSc1cc(ccc1C(=O)NC)F 62a_200000206206_100000210303 [0,2,0,0,0,0|2,0,0]=4 2873 B15R1.10756 CCCSc1cc(ccc1C(=O)NN)C 62a_100000210303_200012340525 [0,2,0,0,0,0|2,0,0]=4 2874 B15R1.10756 CCCSc1cc(ccc1C(=O)NN)C 62a_200012340525_100000210303 [0,2,0,0,0,0|2,0,0]=4 2875 B15R1.10756 CCCSc1cc(ccc1C(=O)NN)F 62a_100000203923_100000210303 [0,2,0,0,0,0|2,0,0]=4 2876 B15R1.10756 CCCSc1cc(ccc1C(=O)NN)F 62a_100000210303_100000203923 [0,2,0,0,0,0|2,0,0]=4 2877 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)Br 62a_100000701758_100000210303 [0,2,0,0,0,0|1,0,0]=3 2878 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)C 62a_100000210303_100012340597 [0,2,0,0,0,0|1,0,0]=3 2879 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)C 62a_100012340597_100000210303 [0,2,0,0,0,0|1,0,0]=3 2880 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)Cl 62a_100000047510_100000210303 [0,2,0,0,0,0|1,0,0]=3 2881 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)Cl 62a_100000210303_100000047510 [0,2,0,0,0,0|1,0,0]=3 2882 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)F 62a_100000204356_100000210303 [0,2,0,0,0,0|1,0,0]=3 2883 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)F 62a_100000210303_100000204356 [0,2,0,0,0,0|1,0,0]=3 2884 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)N 62a_100000210303_100010150747 [0,2,0,0,0,0|1,0,0]=3 2885 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)N 62a_100009998378_100000210303 [0,2,0,0,0,0|1,0,0]=3 2886 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)O 62a_100000210303_100010150825 [0,2,0,0,0,0|1,0,0]=3 2887 B15R1.10756 CCCSc1cc(ccc1C(=O)OC)O 62a_100010150825_100000210303 [0,2,0,0,0,0|1,0,0]=3 2888 B15R1.10756 CCCSc1cc(cnc1C(=O)OC)C 62a_100000210303_100010167497 [0,2,0,0,0,0|2,0,0]=4 2889 B15R1.10756 CCCSc1cc(cnc1C(=O)OC)C 62a_100010167497_100000210303 [0,2,0,0,0,0|2,0,0]=4 2890 B15R1.10756 CCCSc1cc(cnc1C(=O)OC)F 62a_100000210303_100010189631 [0,2,0,0,0,0|2,0,0]=4 2891 B15R1.10756 CCCSc1cc(cnc1C(=O)OC)F 62a_100010189631_100000210303 [0,2,0,0,0,0|2,0,0]=4 2892 B15R1.10756 CCCSc1cc(ncc1C(=O)OC)C 62a_100000210303_100011998247 [0,2,0,0,0,0|2,0,0]=4 2893 B15R1.10756 CCCSc1cc(ncc1C(=O)OC)C 62a_100011998247_100000210303 [0,2,0,0,0,0|2,0,0]=4 2894 B15R1.10756 CCCSc1cc(ncc1C(=O)OC)Cl 62a_100000210303_100010734300 [0,2,0,0,0,0|2,0,0]=4 2895 B15R1.10756 CCCSc1cc(ncc1C(=O)OC)Cl 62a_100010734300_100000210303 [0,2,0,0,0,0|2,0,0]=4 2896 B15R1.10756 CCCSc1nc(ccc1C(=O)OC)C 62a_100000054099_100000210303 [0,2,0,0,0,0|2,0,0]=4 2897 B15R1.10756 CCCSc1nc(ccc1C(=O)OC)C 62a_100000210303_100000054099 [0,2,0,0,0,0|2,0,0]=4 2898 B15R1.10756 CCCSc1nc(ccc1C(=O)OC)N 62a_100000210303_100009865240 [0,2,0,0,0,0|2,0,0]=4 2899 B15R1.10756 CCCSc1nc(ccc1C(=O)OC)N 62a_100009865240_100000210303 [0,2,0,0,0,0|2,0,0]=4 2900 B15R1.10756 CCNCc1cc(ccc1C(=O)OC)Br 2230a_100015525214_100000693193 [0,2,0,0,0,0|2,0,0]=4 2901 B15R1.10756 CCNCc1cc(ccc1C(=O)OC)Br 270004a_100015525214_100000708894 [0,2,0,0,0,0|2,0,0]=4 2902 B15R1.10756 CCNCc1cc(ccc1C(=O)OC)Cl 2230a_100015525214_100010239717 [0,2,0,0,0,0|2,0,0]=4 2903 B15R1.10756 CCNCc1cc(ccc1C(=O)OC)F 2230a_100015525214_100000700702 [0,2,0,0,0,0|2,0,0]=4 2904 B15R1.10756 CCOCc1cc(ccc1C(=O)OC)Br 34a_100121572206_100000693193 [0,2,0,0,0,0|2,0,0]=4 2905 B15R1.10756 CCOCc1cc(ccc1C(=O)OC)Cl 34a_100121572206_100010239717 [0,2,0,0,0,0|2,0,0]=4 2906 B15R1.10756 CCOCc1cc(ccc1C(=O)OC)F 34a_100121572206_100000700702 [0,2,0,0,0,0|2,0,0]=4 2907 B15R1.10756 CCSCc1cc(ccc1C(=O)OC)Br 62a_100000693193_100000210202 [0,2,0,0,0,0|2,0,0]=4 2908 B15R1.10756 CCSCc1cc(ccc1C(=O)OC)Cl 62a_100000210202_100010239717 [0,2,0,0,0,0|2,0,0]=4 2909 B15R1.10756 CCSCc1cc(ccc1C(=O)OC)Cl 62a_100010239717_100000210202 [0,2,0,0,0,0|2,0,0]=4 2910 B15R1.10756 CCSCc1cc(ccc1C(=O)OC)F 62a_100000210202_100000700702 [0,2,0,0,0,0|2,0,0]=4 2911 B15R1.10756 CCSCc1cc(ccc1C(=O)OC)F 62a_100000700702_100000210202 [0,2,0,0,0,0|2,0,0]=4 2912 B15R1.10756 COC(=O)c1ccc(cc1SCCF)Br 62a_100000701758_100011217306 [0,2,0,0,0,0|2,0,0]=4 2913 B15R1.10756 COC(=O)c1ccc(cc1SCCF)C 62a_100011217306_100012340597 [0,2,0,0,0,0|2,0,0]=4 2914 B15R1.10756 COC(=O)c1ccc(cc1SCCF)C 62a_100012340597_100011217306 [0,2,0,0,0,0|2,0,0]=4 2915 B15R1.10756 COC(=O)c1ccc(cc1SCCF)Cl 62a_100000047510_100011217306 [0,2,0,0,0,0|2,0,0]=4 2916 B15R1.10756 COC(=O)c1ccc(cc1SCCF)Cl 62a_100011217306_100000047510 [0,2,0,0,0,0|2,0,0]=4 2917 B15R1.10756 COC(=O)c1ccc(cc1SCCF)F 62a_100000204356_100011217306 [0,2,0,0,0,0|2,0,0]=4 2918 B15R1.10756 COC(=O)c1ccc(cc1SCCF)F 62a_100011217306_100000204356 [0,2,0,0,0,0|2,0,0]=4 2919 B15R1.10756 COC(=O)c1ccc(cc1SCCF)N 62a_100009998378_100011217306 [0,2,0,0,0,0|2,0,0]=4 2920 B15R1.10756 COC(=O)c1ccc(cc1SCCF)N 62a_100011217306_100010150747 [0,2,0,0,0,0|2,0,0]=4 2921 B15R1.10756 COC(=O)c1ccc(cc1SCCF)O 62a_100010150825_100011217306 [0,2,0,0,0,0|2,0,0]=4 2922 B15R1.10756 COC(=O)c1ccc(cc1SCCF)O 62a_100011217306_100010150825 [0,2,0,0,0,0|2,0,0]=4 2923 B15R1.10756 COC(=O)c1ccc(cc1SCCO)Br 62a_100000701758_100000211926 [0,2,0,0,0,0|2,0,0]=4 2924 B15R1.10756 COC(=O)c1ccc(cc1SCCO)C 62a_100000211926_100012340597 [0,2,0,0,0,0|2,0,0]=4 2925 B15R1.10756 COC(=O)c1ccc(cc1SCCO)C 62a_100012340597_100000211926 [0,2,0,0,0,0|2,0,0]=4 2926 B15R1.10756 COC(=O)c1ccc(cc1SCCO)Cl 62a_100000047510_100000211926 [0,2,0,0,0,0|2,0,0]=4 2927 B15R1.10756 COC(=O)c1ccc(cc1SCCO)Cl 62a_100000211926_100000047510 [0,2,0,0,0,0|2,0,0]=4 2928 B15R1.10756 COC(=O)c1ccc(cc1SCCO)F 62a_100000204356_100000211926 [0,2,0,0,0,0|2,0,0]=4 2929 B15R1.10756 COC(=O)c1ccc(cc1SCCO)F 62a_100000211926_100000204356 [0,2,0,0,0,0|2,0,0]=4 2930 B15R1.10756 COC(=O)c1ccc(cc1SCCO)N 62a_100000211926_100010150747 [0,2,0,0,0,0|2,0,0]=4 2931 B15R1.10756 COC(=O)c1ccc(cc1SCCO)N 62a_100009998378_100000211926 [0,2,0,0,0,0|2,0,0]=4 2932 B15R1.10756 COC(=O)c1ccc(cc1SCCO)O 62a_100000211926_100010150825 [0,2,0,0,0,0|2,0,0]=4 2933 B15R1.10756 COC(=O)c1ccc(cc1SCCO)O 62a_100010150825_100000211926 [0,2,0,0,0,0|2,0,0]=4 2934 B15R1.10756 COC(=O)c1ccc(cc1SCSC)Br 62a_100000701758_100011218213 [0,2,0,0,0,0|2,0,0]=4 2935 B15R1.10756 COC(=O)c1ccc(cc1SCSC)C 62a_100011218213_100012340597 [0,2,0,0,0,0|2,0,0]=4 2936 B15R1.10756 COC(=O)c1ccc(cc1SCSC)C 62a_100012340597_100011218213 [0,2,0,0,0,0|2,0,0]=4 2937 B15R1.10756 COC(=O)c1ccc(cc1SCSC)Cl 62a_100000047510_100011218213 [0,2,0,0,0,0|2,0,0]=4 2938 B15R1.10756 COC(=O)c1ccc(cc1SCSC)Cl 62a_100011218213_100000047510 [0,2,0,0,0,0|2,0,0]=4 2939 B15R1.10756 COC(=O)c1ccc(cc1SCSC)F 62a_100000204356_100011218213 [0,2,0,0,0,0|2,0,0]=4 2940 B15R1.10756 COC(=O)c1ccc(cc1SCSC)F 62a_100011218213_100000204356 [0,2,0,0,0,0|2,0,0]=4 2941 B15R1.10756 COC(=O)c1ccc(cc1SCSC)N 62a_100009998378_100011218213 [0,2,0,0,0,0|2,0,0]=4 2942 B15R1.10756 COC(=O)c1ccc(cc1SCSC)N 62a_100011218213_100010150747 [0,2,0,0,0,0|2,0,0]=4 2943 B15R1.10756 COC(=O)c1ccc(cc1SCSC)O 62a_100010150825_100011218213 [0,2,0,0,0,0|2,0,0]=4 2944 B15R1.10756 COC(=O)c1ccc(cc1SCSC)O 62a_100011218213_100010150825 [0,2,0,0,0,0|2,0,0]=4 2945 B15R1.10756 COCSc1cc(ccc1C(=O)OC)Br 62a_100000701758_100000766300 [0,2,0,0,0,0|2,0,0]=4 2946 B15R1.10756 COCSc1cc(ccc1C(=O)OC)C 62a_100000766300_100012340597 [0,2,0,0,0,0|2,0,0]=4 2947 B15R1.10756 COCSc1cc(ccc1C(=O)OC)C 62a_100012340597_100000766300 [0,2,0,0,0,0|2,0,0]=4 2948 B15R1.10756 COCSc1cc(ccc1C(=O)OC)Cl 62a_100000047510_100000766300 [0,2,0,0,0,0|2,0,0]=4 2949 B15R1.10756 COCSc1cc(ccc1C(=O)OC)Cl 62a_100000766300_100000047510 [0,2,0,0,0,0|2,0,0]=4 2950 B15R1.10756 COCSc1cc(ccc1C(=O)OC)F 62a_100000204356_100000766300 [0,2,0,0,0,0|2,0,0]=4 2951 B15R1.10756 COCSc1cc(ccc1C(=O)OC)F 62a_100000766300_100000204356 [0,2,0,0,0,0|2,0,0]=4 2952 B15R1.10756 COCSc1cc(ccc1C(=O)OC)N 62a_100000766300_100010150747 [0,2,0,0,0,0|2,0,0]=4 2953 B15R1.10756 COCSc1cc(ccc1C(=O)OC)N 62a_100009998378_100000766300 [0,2,0,0,0,0|2,0,0]=4 2954 B15R1.10756 COCSc1cc(ccc1C(=O)OC)O 62a_100000766300_100010150825 [0,2,0,0,0,0|2,0,0]=4 2955 B15R1.10756 COCSc1cc(ccc1C(=O)OC)O 62a_100010150825_100000766300 [0,2,0,0,0,0|2,0,0]=4 2956 B15R1.37991 CCCSc1c(ccc(c1F)F)C(=O)C 62a_100000210303_200013857550 [0,2,0,0,0,0|2,0,0]=4 2957 B15R1.37991 CCCSc1c(ccc(c1F)F)C(=O)C 62a_200013857550_100000210303 [0,2,0,0,0,0|2,0,0]=4 2958 B15R1.843 C#CCC(=O)c1ccccc1SCCC 1458a_100000217225_100000184674 [0,2,0,0,0,0|2,0,0]=4 2959 B15R1.843 C#CCC(=O)c1ccccc1S[Hg]CC 1458a_100000046266_100000184674 [0,2,0,0,0,0|1,0,0]=3 2960 B15R1.843 C=CCC(=O)c1ccccc1SCCC 1458a_100000217225_100000210623 [0,2,0,0,0,0|2,0,0]=4 2961 B15R1.843 C=CCC(=O)c1ccccc1S[Hg]CC 1458a_100000046266_100000210623 [0,2,0,0,0,0|1,0,0]=3 2962 B15R1.843 C=COC(=O)c1ccccc1SCCC 62a_100000210303_200000036168 [0,2,0,0,0,0|1,0,0]=3 2963 B15R1.843 C=COC(=O)c1ccccc1SCCC 62a_200000036168_100000210303 [0,2,0,0,0,0|1,0,0]=3 2964 B15R1.843 C=COC(=O)c1ccccc1SCCF 62a_100011217306_200000036168 [0,2,0,0,0,0|2,0,0]=4 2965 B15R1.843 C=COC(=O)c1ccccc1SCCF 62a_200000036168_100011217306 [0,2,0,0,0,0|2,0,0]=4 2966 B15R1.843 C=COC(=O)c1ccccc1SCCO 62a_100000211926_200000036168 [0,2,0,0,0,0|2,0,0]=4 2967 B15R1.843 C=COC(=O)c1ccccc1SCCO 62a_200000036168_100000211926 [0,2,0,0,0,0|2,0,0]=4 2968 B15R1.843 C=COC(=O)c1ccccc1SCOC 62a_100000766300_200000036168 [0,2,0,0,0,0|2,0,0]=4 2969 B15R1.843 C=COC(=O)c1ccccc1SCOC 62a_200000036168_100000766300 [0,2,0,0,0,0|2,0,0]=4 2970 B15R1.843 C=COC(=O)c1ccccc1SCSC 62a_100011218213_200000036168 [0,2,0,0,0,0|2,0,0]=4 2971 B15R1.843 C=COC(=O)c1ccccc1SCSC 62a_200000036168_100011218213 [0,2,0,0,0,0|2,0,0]=4 2972 B15R1.843 CCCC(=O)c1ccccc1S[Hg]CC 1458a_100000046266_100000210303 [0,2,0,0,0,0|1,0,0]=3 2973 B15R1.843 CCCCc1ccccc1C(=O)OCC 271570a_100020621405_100000169879 [0,2,0,0,0,0|2,0,0]=4 2974 B15R1.843 CCCNc1ccccc1C(=O)NOC 34a_100011599994_100000210303 [0,2,0,0,0,0|2,0,0]=4 2975 B15R1.843 CCCOc1ccccc1C(=O)CCO 1458a_100000215688_100000211926 [0,2,0,0,0,0|1,1,0]=4 2976 B15R1.843 CCCOc1ccccc1C(=O)OCC 7a_100000169922_100000210303 [0,2,0,0,0,0|1,1,0]=4 2977 B15R1.843 CCCSc1ccccc1C(=O)CC#N 1458a_100000217225_100011214920 [0,2,0,0,0,0|2,0,0]=4 2978 B15R1.843 CCCSc1ccccc1C(=O)CC#N 62a_100000210303_100011225204 [0,2,0,0,0,0|2,0,0]=4 2979 B15R1.843 CCCSc1ccccc1C(=O)CC#N 62a_100011225204_100000210303 [0,2,0,0,0,0|2,0,0]=4 2980 B15R1.843 CCCSc1ccccc1C(=O)CCC 1458a_100000217225_100000210303 [0,2,0,0,0,0|2,0,0]=4 2981 B15R1.843 CCCSc1ccccc1C(=O)CCF 1458a_100000217225_100011217306 [0,2,0,0,0,0|2,0,0]=4 2982 B15R1.843 CCCSc1ccccc1C(=O)CCO 1458a_100000217225_100000211926 [0,2,0,0,0,0|1,0,0]=3 2983 B15R1.843 CCCSc1ccccc1C(=O)NCC 11a_100015525214_100000217225 [0,2,0,0,0,0|2,0,0]=4 2984 B15R1.843 CCCSc1ccccc1C(=O)NCC 240690a_100015525214_100000217225 [0,2,0,0,0,0|2,0,0]=4 2985 B15R1.843 CCCSc1ccccc1C(=O)NCC 527a_100015525214_100000217225 [0,2,0,0,0,0|2,0,0]=4 2986 B15R1.843 CCCSc1ccccc1C(=O)NCC 62a_100000210303_200000155173 [0,2,0,0,0,0|2,0,0]=4 2987 B15R1.843 CCCSc1ccccc1C(=O)NCC 62a_200000155173_100000210303 [0,2,0,0,0,0|2,0,0]=4 2988 B15R1.843 CCCSc1ccccc1C(=O)NNC 22a_100016993582_100000217225 [0,2,0,0,0,0|2,0,0]=4 2989 B15R1.843 CCCSc1ccccc1C(=O)OCC 62a_100000169876_100000210303 [0,2,0,0,0,0|1,0,0]=3 2990 B15R1.843 CCCSc1ccccc1C(=O)OCC 62a_100000210303_100000169879 [0,2,0,0,0,0|1,0,0]=3 2991 B15R1.843 CCCSc1cccnc1C(=O)OCC 62a_100000210303_100012351660 [0,2,0,0,0,0|2,0,0]=4 2992 B15R1.843 CCCSc1cccnc1C(=O)OCC 62a_100012351660_100000210303 [0,2,0,0,0,0|2,0,0]=4 2993 B15R1.843 CCCSc1ccncc1C(=O)OCC 62a_100000210303_100016987518 [0,2,0,0,0,0|2,0,0]=4 2994 B15R1.843 CCCSc1cnccc1C(=O)OCC 62a_100000210303_100010238393 [0,2,0,0,0,0|2,0,0]=4 2995 B15R1.843 CCCSc1cnccc1C(=O)OCC 62a_100010238393_100000210303 [0,2,0,0,0,0|2,0,0]=4 2996 B15R1.843 CCCSc1ncccc1C(=O)OCC 62a_100000210303_100000170124 [0,2,0,0,0,0|2,0,0]=4 2997 B15R1.843 CCCSc1ncccc1C(=O)OCC 62a_100011291640_100000210303 [0,2,0,0,0,0|2,0,0]=4 2998 B15R1.843 CCNC(=O)c1ccccc1S[Hg]CC 11a_100015525214_100000046266 [0,2,0,0,0,0|1,0,0]=3 2999 B15R1.843 CCNC(=O)c1ccccc1S[Hg]CC 240690a_100015525214_100000046266 [0,2,0,0,0,0|1,0,0]=3 3000 B15R1.843 CCNC(=O)c1ccccc1S[Hg]CC 527a_100015525214_100000046266 [0,2,0,0,0,0|1,0,0]=3 3001 B15R1.843 CCNCc1ccccc1C(=O)OCC 2230a_100015525214_100009816840 [0,2,0,0,0,0|2,0,0]=4 3002 B15R1.843 CCNCc1ccccc1C(=O)OCC 270004a_100015525214_200000006220 [0,2,0,0,0,0|2,0,0]=4 3003 B15R1.843 CCOC(=O)c1ccccc1CSCC 62a_100000210202_100009816840 [0,2,0,0,0,0|2,0,0]=4 3004 B15R1.843 CCOC(=O)c1ccccc1CSCC 62a_100009816840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3005 B15R1.843 CCOC(=O)c1ccccc1SCCF 62a_100000169876_100011217306 [0,2,0,0,0,0|2,0,0]=4 3006 B15R1.843 CCOC(=O)c1ccccc1SCCF 62a_100011217306_100000169879 [0,2,0,0,0,0|2,0,0]=4 3007 B15R1.843 CCOC(=O)c1ccccc1SCCO 62a_100000169876_100000211926 [0,2,0,0,0,0|2,0,0]=4 3008 B15R1.843 CCOC(=O)c1ccccc1SCCO 62a_100000211926_100000169879 [0,2,0,0,0,0|2,0,0]=4 3009 B15R1.843 CCOC(=O)c1ccccc1SCOC 62a_100000169876_100000766300 [0,2,0,0,0,0|2,0,0]=4 3010 B15R1.843 CCOC(=O)c1ccccc1SCOC 62a_100000766300_100000169879 [0,2,0,0,0,0|2,0,0]=4 3011 B15R1.843 CCOC(=O)c1ccccc1SCSC 62a_100000169876_100011218213 [0,2,0,0,0,0|2,0,0]=4 3012 B15R1.843 CCOC(=O)c1ccccc1SCSC 62a_100011218213_100000169879 [0,2,0,0,0,0|2,0,0]=4 3013 B15R1.843 CCOCc1ccccc1C(=O)OCC 34a_100121572206_100009816840 [0,2,0,0,0,0|2,0,0]=4 3014 B15R1.843 CC[Hg]Sc1ccccc1C(=O)CC#N 1458a_100000046266_100011214920 [0,2,0,0,0,0|1,0,0]=3 3015 B15R1.843 CC[Hg]Sc1ccccc1C(=O)CCF 1458a_100000046266_100011217306 [0,2,0,0,0,0|1,0,0]=3 3016 B15R1.843 CC[Hg]Sc1ccccc1C(=O)CCO 1458a_100000046266_100000211926 [0,2,0,0,0,0|0,0,0]=2 3017 B15R1.843 CC[Hg]Sc1ccccc1C(=O)NNC 22a_100016993582_100000046266 [0,2,0,0,0,0|1,0,0]=3 3018 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000148710_100000211660 [0,2,0,0,0,0|1,0,1]=4 3019 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000748629_100000148710 [0,2,0,0,0,0|1,0,1]=4 3020 B15R1.985 C=C(C)CSc1ccccc1C(=O)O[Na] 62a_100000748629_114855342371 [0,2,0,0,0,0|1,0,1]=4 3021 B15R1.985 CC(C)COc1ccccc1C(=O)NO 34a_100000188472_100000210624 [0,2,0,0,0,0|1,1,0]=4 3022 B15R1.985 CC(C)CSc1ccccc1C(=O)CF 1458a_200000217235_100015361967 [0,2,0,0,0,0|2,0,0]=4 3023 B15R1.985 CC(C)CSc1ccccc1C(=O)NN 62a_100000190081_100000210760 [0,2,0,0,0,0|2,0,0]=4 3024 B15R1.985 CC(C)CSc1ccccc1C(=O)NN 62a_100000210624_100000190081 [0,2,0,0,0,0|2,0,0]=4 3025 B15R1.985 CC(C)CSc1ccccc1C(=O)O[Na] 62a_100000210624_114855342371 [0,2,0,0,0,0|1,0,0]=3 3026 B15R1.985 CC(O)COc1ccccc1C(=O)NO 34a_100000188472_100011218427 [0,2,0,0,0,0|1,1,0]=4 3027 B15R1.985 CC(O)CSc1ccccc1C(=O)NN 62a_100000190081_100011218427 [0,2,0,0,0,0|2,0,0]=4 3028 B15R1.985 CC(O)CSc1ccccc1C(=O)NN 62a_100011218427_100000190081 [0,2,0,0,0,0|2,0,0]=4 3029 B15R1.985 CC(O)CSc1ccccc1C(=O)O[Na] 62a_100011218427_114855342371 [0,2,0,0,0,0|1,0,0]=3 3030 B15R1.985 CCC(=O)c1ccccc1SCC(C)C 1458a_200000217235_100000210202 [0,2,0,0,0,0|2,0,0]=4 3031 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 11a_106832991635_200000217235 [0,2,0,0,0,0|2,0,0]=4 3032 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 1626a_100102657272_200000217235 [0,2,0,0,0,0|2,0,0]=4 3033 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 240690a_100102657272_200000217235 [0,2,0,0,0,0|2,0,0]=4 3034 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 527a_100102657272_200000217235 [0,2,0,0,0,0|2,0,0]=4 3035 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 62a_100000155073_100000210760 [0,2,0,0,0,0|2,0,0]=4 3036 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 62a_100000210624_100000155073 [0,2,0,0,0,0|2,0,0]=4 3037 B15R1.985 CNC(=O)c1ccccc1SCC(C)O 62a_100000155073_100011218427 [0,2,0,0,0,0|2,0,0]=4 3038 B15R1.985 CNC(=O)c1ccccc1SCC(C)O 62a_100011218427_100000155073 [0,2,0,0,0,0|2,0,0]=4 3039 B15R1.985 CNC(=O)c1ccccc1SC[C@@H](C)O 62a_100000155073_100009817552 [0,2,0,0,0,0|2,0,0]=4 3040 B15R1.985 CNC(=O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000155073 [0,2,0,0,0,0|2,0,0]=4 3041 B15R1.985 COC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000148710 [0,2,0,0,0,0|2,0,0]=4 3042 B15R1.985 COC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000148710 [0,2,0,0,0,0|2,0,0]=4 3043 B15R1.985 COC(=O)c1ccccc1CNC(C)C 2230a_100138425928_100000744672 [0,2,0,0,0,0|2,0,0]=4 3044 B15R1.985 COC(=O)c1ccccc1CNC(C)C 34a_100138425928_100000744672 [0,2,0,0,0,0|2,0,0]=4 3045 B15R1.985 COC(=O)c1ccccc1COC(C)C 34a_100000212225_100000744672 [0,2,0,0,0,0|2,0,0]=4 3046 B15R1.985 COC(=O)c1ccccc1CSC(C)C 62a_100000210206_100000744672 [0,2,0,0,0,0|2,0,0]=4 3047 B15R1.985 COC(=O)c1ccccc1CSC(C)C 62a_100000744672_100000210206 [0,2,0,0,0,0|2,0,0]=4 3048 B15R1.985 COC(=O)c1ccccc1OCC(C)C 7a_100000150335_100000210760 [0,2,0,0,0,0|1,1,0]=4 3049 B15R1.985 COC(=O)c1ccccc1OCC(C)O 7a_100000150335_100011218427 [0,2,0,0,0,0|1,1,0]=4 3050 B15R1.985 COC(=O)c1ccccc1OC[C@@H](C)O 7a_100000150335_100009817552 [0,2,0,0,0,0|1,1,0]=4 3051 B15R1.985 COC(=O)c1ccccc1SCC(C)C 62a_100000148710_100000210760 [0,2,0,0,0,0|1,0,0]=3 3052 B15R1.985 COC(=O)c1ccccc1SCC(C)C 62a_100000210624_100000148710 [0,2,0,0,0,0|1,0,0]=3 3053 B15R1.985 COC(=O)c1ccccc1SCC(C)O 62a_100000148710_100011218427 [0,2,0,0,0,0|1,0,0]=3 3054 B15R1.985 COC(=O)c1ccccc1SCC(C)O 62a_100011218427_100000148710 [0,2,0,0,0,0|1,0,0]=3 3055 B15R1.985 COC(=O)c1ccccc1SCC(F)F 62a_100000148710_100011934356 [0,2,0,0,0,0|2,0,0]=4 3056 B15R1.985 COC(=O)c1ccccc1SCC(F)F 62a_100011934356_100000148710 [0,2,0,0,0,0|2,0,0]=4 3057 B15R1.985 COC(=O)c1ccccc1SC[C@@H](C)O 62a_100000148710_100009817552 [0,2,0,0,0,0|1,0,0]=3 3058 B15R1.985 COC(=O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000148710 [0,2,0,0,0,0|1,0,0]=3 3059 B15R1.985 COC(=O)c1cccnc1SCC(C)C 62a_100000210624_100000150852 [0,2,0,0,0,0|2,0,0]=4 3060 B15R1.985 COC(=O)c1cccnc1SCC(C)C 62a_100011587185_100000210760 [0,2,0,0,0,0|2,0,0]=4 3061 B15R1.985 COC(=O)c1cccnc1SCC(C)O 62a_100011218427_100000150852 [0,2,0,0,0,0|2,0,0]=4 3062 B15R1.985 COC(=O)c1cccnc1SCC(C)O 62a_100011587185_100011218427 [0,2,0,0,0,0|2,0,0]=4 3063 B15R1.985 COC(=O)c1cccnc1SC[C@@H](C)O 62a_100009817552_100000150852 [0,2,0,0,0,0|2,0,0]=4 3064 B15R1.985 COC(=O)c1cccnc1SC[C@@H](C)O 62a_100011587185_100009817552 [0,2,0,0,0,0|2,0,0]=4 3065 B15R1.985 COC(=O)c1ccncc1SCC(C)C 62a_100000210624_100010008606 [0,2,0,0,0,0|2,0,0]=4 3066 B15R1.985 COC(=O)c1ccncc1SCC(C)C 62a_100010008606_100000210760 [0,2,0,0,0,0|2,0,0]=4 3067 B15R1.985 COC(=O)c1ccncc1SCC(C)O 62a_100010008606_100011218427 [0,2,0,0,0,0|2,0,0]=4 3068 B15R1.985 COC(=O)c1ccncc1SCC(C)O 62a_100011218427_100010008606 [0,2,0,0,0,0|2,0,0]=4 3069 B15R1.985 COC(=O)c1ccncc1SC[C@@H](C)O 62a_100009817552_100010008606 [0,2,0,0,0,0|2,0,0]=4 3070 B15R1.985 COC(=O)c1ccncc1SC[C@@H](C)O 62a_100010008606_100009817552 [0,2,0,0,0,0|2,0,0]=4 3071 B15R1.985 COC(=O)c1cnccc1SCC(C)C 62a_100000210624_100020629055 [0,2,0,0,0,0|2,0,0]=4 3072 B15R1.985 COC(=O)c1cnccc1SCC(C)C 62a_100020629055_100000210760 [0,2,0,0,0,0|2,0,0]=4 3073 B15R1.985 COC(=O)c1cnccc1SCC(C)O 62a_100011218427_100020629055 [0,2,0,0,0,0|2,0,0]=4 3074 B15R1.985 COC(=O)c1cnccc1SCC(C)O 62a_100020629055_100011218427 [0,2,0,0,0,0|2,0,0]=4 3075 B15R1.985 COC(=O)c1cnccc1SC[C@@H](C)O 62a_100009817552_100020629055 [0,2,0,0,0,0|2,0,0]=4 3076 B15R1.985 COC(=O)c1cnccc1SC[C@@H](C)O 62a_100020629055_100009817552 [0,2,0,0,0,0|2,0,0]=4 3077 B15R1.985 COC(=O)c1ncccc1SCC(C)C 62a_100000210624_100011935214 [0,2,0,0,0,0|2,0,0]=4 3078 B15R1.985 COC(=O)c1ncccc1SCC(C)C 62a_100011935214_100000210760 [0,2,0,0,0,0|2,0,0]=4 3079 B15R1.985 COC(=O)c1ncccc1SCC(C)O 62a_100011218427_100011935214 [0,2,0,0,0,0|2,0,0]=4 3080 B15R1.985 COC(=O)c1ncccc1SCC(C)O 62a_100011935214_100011218427 [0,2,0,0,0,0|2,0,0]=4 3081 B15R1.985 COC(=O)c1ncccc1SC[C@@H](C)O 62a_100009817552_100011935214 [0,2,0,0,0,0|2,0,0]=4 3082 B15R1.985 COC(=O)c1ncccc1SC[C@@H](C)O 62a_100011935214_100009817552 [0,2,0,0,0,0|2,0,0]=4 3083 B15R1.985 C[C@@H](O)COc1ccccc1C(=O)NO 34a_100000188472_100009817552 [0,2,0,0,0,0|1,1,0]=4 3084 B15R1.985 C[C@@H](O)CSc1ccccc1C(=O)NN 62a_100000190081_100009817552 [0,2,0,0,0,0|2,0,0]=4 3085 B15R1.985 C[C@@H](O)CSc1ccccc1C(=O)NN 62a_100009817552_100000190081 [0,2,0,0,0,0|2,0,0]=4 3086 B15R1.985 C[C@@H](O)CSc1ccccc1C(=O)O[Na] 62a_100009817552_114855342371 [0,2,0,0,0,0|1,0,0]=3 3087 B15R1.985 O=C(O[Na])c1ccccc1SCC(F)F 62a_100011934356_114855342371 [0,2,0,0,0,0|2,0,0]=4 3088 B15R1.1191 C#CCCSc1ccccc1C(=O)OC 62a_100000148710_100000688953 [0,2,0,0,0,0|1,0,1]=4 3089 B15R1.1191 C#CCCSc1ccccc1C(=O)OC 62a_100000688953_100000148710 [0,2,0,0,0,0|1,0,1]=4 3090 B15R1.1191 C#CCCSc1ccccc1C(=O)O[Na] 62a_100000688953_114855342371 [0,2,0,0,0,0|1,0,1]=4 3091 B15R1.1191 C/C=C/CSc1ccccc1C(=O)OC 62a_100000148710_100102629194 [0,2,0,0,0,0|1,0,1]=4 3092 B15R1.1191 C/C=C/CSc1ccccc1C(=O)OC 62a_100102629194_100000148710 [0,2,0,0,0,0|1,0,1]=4 3093 B15R1.1191 C/C=C/CSc1ccccc1C(=O)O[Na] 62a_100102629194_114855342371 [0,2,0,0,0,0|1,0,1]=4 3094 B15R1.1191 C=CCCSc1ccccc1C(=O)OC 62a_100000148710_100000754431 [0,2,0,0,0,0|1,0,1]=4 3095 B15R1.1191 C=CCCSc1ccccc1C(=O)OC 62a_100000754431_100000148710 [0,2,0,0,0,0|1,0,1]=4 3096 B15R1.1191 C=CCCSc1ccccc1C(=O)O[Na] 62a_100000754431_114855342371 [0,2,0,0,0,0|1,0,1]=4 3097 B15R1.1191 CC#CCSc1ccccc1C(=O)OC 62a_100000148710_100000748600 [0,2,0,0,0,0|1,0,1]=4 3098 B15R1.1191 CC#CCSc1ccccc1C(=O)OC 62a_100000748600_100000148710 [0,2,0,0,0,0|1,0,1]=4 3099 B15R1.1191 CC#CCSc1ccccc1C(=O)O[Na] 62a_100000748600_114855342371 [0,2,0,0,0,0|1,0,1]=4 3100 B15R1.1191 CC=CCSc1ccccc1C(=O)OC 62a_100000070051_100000148710 [0,2,0,0,0,0|1,0,1]=4 3101 B15R1.1191 CC=CCSc1ccccc1C(=O)OC 62a_100000148710_100000070051 [0,2,0,0,0,0|1,0,1]=4 3102 B15R1.1191 CC=CCSc1ccccc1C(=O)O[Na] 62a_100000070051_114855342371 [0,2,0,0,0,0|1,0,1]=4 3103 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC 271570a_100016258520_100000148710 [0,2,0,0,0,0|2,0,0]=4 3104 B15R1.1191 CCCCOc1ccccc1C(=O)NO 34a_100000188472_100000210210 [0,2,0,0,0,0|1,1,0]=4 3105 B15R1.1191 CCCCOc1ccccc1C(=O)OC 7a_100000150335_100000210211 [0,2,0,0,0,0|1,1,0]=4 3106 B15R1.1191 CCCCSc1ccccc1C(=O)CC 1458a_200000217314_100000210202 [0,2,0,0,0,0|2,0,0]=4 3107 B15R1.1191 CCCCSc1ccccc1C(=O)CF 1458a_200000217314_100015361967 [0,2,0,0,0,0|2,0,0]=4 3108 B15R1.1191 CCCCSc1ccccc1C(=O)NC 11a_106832991635_200000217314 [0,2,0,0,0,0|2,0,0]=4 3109 B15R1.1191 CCCCSc1ccccc1C(=O)NC 1626a_100102657272_200000217314 [0,2,0,0,0,0|2,0,0]=4 3110 B15R1.1191 CCCCSc1ccccc1C(=O)NC 240690a_100102657272_200000217314 [0,2,0,0,0,0|2,0,0]=4 3111 B15R1.1191 CCCCSc1ccccc1C(=O)NC 527a_100102657272_200000217314 [0,2,0,0,0,0|2,0,0]=4 3112 B15R1.1191 CCCCSc1ccccc1C(=O)NC 62a_100000155073_100000210210 [0,2,0,0,0,0|2,0,0]=4 3113 B15R1.1191 CCCCSc1ccccc1C(=O)NC 62a_100000210211_100000155073 [0,2,0,0,0,0|2,0,0]=4 3114 B15R1.1191 CCCCSc1ccccc1C(=O)NN 62a_100000190081_100000210210 [0,2,0,0,0,0|2,0,0]=4 3115 B15R1.1191 CCCCSc1ccccc1C(=O)NN 62a_100000210211_100000190081 [0,2,0,0,0,0|2,0,0]=4 3116 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000148710_100000210210 [0,2,0,0,0,0|1,0,0]=3 3117 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000210211_100000148710 [0,2,0,0,0,0|1,0,0]=3 3118 B15R1.1191 CCCCSc1ccccc1C(=O)O[Na] 62a_100000210211_114855342371 [0,2,0,0,0,0|1,0,0]=3 3119 B15R1.1191 CCCCSc1cccnc1C(=O)OC 62a_100000210211_100011935214 [0,2,0,0,0,0|2,0,0]=4 3120 B15R1.1191 CCCCSc1cccnc1C(=O)OC 62a_100011935214_100000210210 [0,2,0,0,0,0|2,0,0]=4 3121 B15R1.1191 CCCCSc1ccncc1C(=O)OC 62a_100000210211_100020629055 [0,2,0,0,0,0|2,0,0]=4 3122 B15R1.1191 CCCCSc1ccncc1C(=O)OC 62a_100020629055_100000210210 [0,2,0,0,0,0|2,0,0]=4 3123 B15R1.1191 CCCCSc1cnccc1C(=O)OC 62a_100000210211_100010008606 [0,2,0,0,0,0|2,0,0]=4 3124 B15R1.1191 CCCCSc1cnccc1C(=O)OC 62a_100010008606_100000210210 [0,2,0,0,0,0|2,0,0]=4 3125 B15R1.1191 CCCCSc1ncccc1C(=O)OC 62a_100000210211_100000150852 [0,2,0,0,0,0|2,0,0]=4 3126 B15R1.1191 CCCCSc1ncccc1C(=O)OC 62a_100011587185_100000210210 [0,2,0,0,0,0|2,0,0]=4 3127 B15R1.1191 CCCOCc1ccccc1C(=O)OC 34a_100000210258_100000744672 [0,2,0,0,0,0|1,1,0]=4 3128 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000210303_100000744672 [0,2,0,0,0,0|1,0,0]=3 3129 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000744672_100000210303 [0,2,0,0,0,0|1,0,0]=3 3130 B15R1.1191 CCCSCc1cccnc1C(=O)OC 62a_100000210303_100010177730 [0,2,0,0,0,0|2,0,0]=4 3131 B15R1.1191 CCCSCc1cccnc1C(=O)OC 62a_100010177730_100000210303 [0,2,0,0,0,0|2,0,0]=4 3132 B15R1.1191 CCCSCc1ncccc1C(=O)OC 62a_100000210303_100000709840 [0,2,0,0,0,0|2,0,0]=4 3133 B15R1.1191 CCCSCc1ncccc1C(=O)OC 62a_100000709840_100000210303 [0,2,0,0,0,0|2,0,0]=4 3134 B15R1.1191 CCNCCc1ccccc1C(=O)OC 2230a_100015525214_200010284099 [0,2,0,0,0,0|2,0,0]=4 3135 B15R1.1191 CCNN=Cc1ccccc1C(=O)OC 4a_100000756455_100000006219 [0,2,0,0,0,0|2,0,0]=4 3136 B15R1.1191 CCOC=Cc1ccccc1C(=O)OC 271570a_100016256518_100000148710 [0,2,0,0,0,0|2,0,0]=4 3137 B15R1.1191 CCOCCc1ccccc1C(=O)OC 34a_100121572206_200010284099 [0,2,0,0,0,0|2,0,0]=4 3138 B15R1.1191 CCOCSc1ccccc1C(=O)NC 62a_100000155073_100000739092 [0,2,0,0,0,0|2,0,0]=4 3139 B15R1.1191 CCOCSc1ccccc1C(=O)NC 62a_100000739092_100000155073 [0,2,0,0,0,0|2,0,0]=4 3140 B15R1.1191 CCOCSc1ccccc1C(=O)NN 62a_100000190081_100000739092 [0,2,0,0,0,0|2,0,0]=4 3141 B15R1.1191 CCOCSc1ccccc1C(=O)NN 62a_100000739092_100000190081 [0,2,0,0,0,0|2,0,0]=4 3142 B15R1.1191 CCOCSc1ccccc1C(=O)OC 62a_100000148710_100000739092 [0,2,0,0,0,0|1,0,0]=3 3143 B15R1.1191 CCOCSc1ccccc1C(=O)OC 62a_100000739092_100000148710 [0,2,0,0,0,0|1,0,0]=3 3144 B15R1.1191 CCOCSc1ccccc1C(=O)O[Na] 62a_100000739092_114855342371 [0,2,0,0,0,0|1,0,0]=3 3145 B15R1.1191 CCOCSc1cccnc1C(=O)OC 62a_100000739092_100011935214 [0,2,0,0,0,0|2,0,0]=4 3146 B15R1.1191 CCOCSc1cccnc1C(=O)OC 62a_100011935214_100000739092 [0,2,0,0,0,0|2,0,0]=4 3147 B15R1.1191 CCOCSc1ccncc1C(=O)OC 62a_100000739092_100020629055 [0,2,0,0,0,0|2,0,0]=4 3148 B15R1.1191 CCOCSc1ccncc1C(=O)OC 62a_100020629055_100000739092 [0,2,0,0,0,0|2,0,0]=4 3149 B15R1.1191 CCOCSc1cnccc1C(=O)OC 62a_100000739092_100010008606 [0,2,0,0,0,0|2,0,0]=4 3150 B15R1.1191 CCOCSc1cnccc1C(=O)OC 62a_100010008606_100000739092 [0,2,0,0,0,0|2,0,0]=4 3151 B15R1.1191 CCOCSc1ncccc1C(=O)OC 62a_100000739092_100000150852 [0,2,0,0,0,0|2,0,0]=4 3152 B15R1.1191 CCOCSc1ncccc1C(=O)OC 62a_100011587185_100000739092 [0,2,0,0,0,0|2,0,0]=4 3153 B15R1.1191 CCSCCc1ccccc1C(=O)OC 62a_100000210202_200010284099 [0,2,0,0,0,0|2,0,0]=4 3154 B15R1.1191 CCSCCc1ccccc1C(=O)OC 62a_200010284099_100000210202 [0,2,0,0,0,0|2,0,0]=4 3155 B15R1.1191 CNC(=O)c1ccccc1SCCCF 62a_100000155073_100011934791 [0,2,0,0,0,0|2,0,0]=4 3156 B15R1.1191 CNC(=O)c1ccccc1SCCCF 62a_100011934791_100000155073 [0,2,0,0,0,0|2,0,0]=4 3157 B15R1.1191 CNC(=O)c1ccccc1SCCCO 62a_100000155073_100011215043 [0,2,0,0,0,0|2,0,0]=4 3158 B15R1.1191 CNC(=O)c1ccccc1SCCCO 62a_100011215043_100000155073 [0,2,0,0,0,0|2,0,0]=4 3159 B15R1.1191 CNC(=O)c1ccccc1SCCOC 62a_100000155073_100000233755 [0,2,0,0,0,0|2,0,0]=4 3160 B15R1.1191 CNC(=O)c1ccccc1SCCOC 62a_100000233755_100000155073 [0,2,0,0,0,0|2,0,0]=4 3161 B15R1.1191 CNC(=O)c1ccccc1SCCSC 62a_100000155073_100000751147 [0,2,0,0,0,0|2,0,0]=4 3162 B15R1.1191 CNC(=O)c1ccccc1SCCSC 62a_100000212216_100000155073 [0,2,0,0,0,0|2,0,0]=4 3163 B15R1.1191 COC(=O)c1ccccc1CNCCF 34a_100000724931_100000744672 [0,2,0,0,0,0|2,0,0]=4 3164 B15R1.1191 COC(=O)c1ccccc1CNCCO 2230a_100016997473_100000744672 [0,2,0,0,0,0|2,0,0]=4 3165 B15R1.1191 COC(=O)c1ccccc1CNCCO 34a_100016990907_100000744672 [0,2,0,0,0,0|2,0,0]=4 3166 B15R1.1191 COC(=O)c1ccccc1COCCBr 34a_100000211926_100000744672 [0,2,0,0,0,0|2,0,0]=4 3167 B15R1.1191 COC(=O)c1ccccc1COCCN 34a_100000210304_100000744672 [0,2,0,0,0,0|2,0,0]=4 3168 B15R1.1191 COC(=O)c1ccccc1CSCCF 62a_100000744672_100011217306 [0,2,0,0,0,0|2,0,0]=4 3169 B15R1.1191 COC(=O)c1ccccc1CSCCF 62a_100011217306_100000744672 [0,2,0,0,0,0|2,0,0]=4 3170 B15R1.1191 COC(=O)c1ccccc1CSCCO 62a_100000211926_100000744672 [0,2,0,0,0,0|2,0,0]=4 3171 B15R1.1191 COC(=O)c1ccccc1CSCCO 62a_100000744672_100000211926 [0,2,0,0,0,0|2,0,0]=4 3172 B15R1.1191 COC(=O)c1ccccc1CSCSC 62a_100000744672_100011218213 [0,2,0,0,0,0|2,0,0]=4 3173 B15R1.1191 COC(=O)c1ccccc1CSCSC 62a_100011218213_100000744672 [0,2,0,0,0,0|2,0,0]=4 3174 B15R1.1191 COC(=O)c1ccccc1OCCCF 7a_100000150335_100011934791 [0,2,0,0,0,0|1,1,0]=4 3175 B15R1.1191 COC(=O)c1ccccc1OCCCO 7a_100000150335_100011215043 [0,2,0,0,0,0|1,1,0]=4 3176 B15R1.1191 COC(=O)c1ccccc1OCCSC 7a_100000150335_100000212216 [0,2,0,0,0,0|1,1,0]=4 3177 B15R1.1191 COC(=O)c1ccccc1SCCC#N 62a_100000148710_100011215226 [0,2,0,0,0,0|1,0,1]=4 3178 B15R1.1191 COC(=O)c1ccccc1SCCC#N 62a_100011215226_100000148710 [0,2,0,0,0,0|1,0,1]=4 3179 B15R1.1191 COC(=O)c1ccccc1SCCCF 62a_100000148710_100011934791 [0,2,0,0,0,0|1,0,0]=3 3180 B15R1.1191 COC(=O)c1ccccc1SCCCF 62a_100011934791_100000148710 [0,2,0,0,0,0|1,0,0]=3 3181 B15R1.1191 COC(=O)c1ccccc1SCCCO 62a_100000148710_100011215043 [0,2,0,0,0,0|1,0,0]=3 3182 B15R1.1191 COC(=O)c1ccccc1SCCCO 62a_100011215043_100000148710 [0,2,0,0,0,0|1,0,0]=3 3183 B15R1.1191 COC(=O)c1ccccc1SCCSC 62a_100000148710_100000751147 [0,2,0,0,0,0|1,0,0]=3 3184 B15R1.1191 COC(=O)c1ccccc1SCCSC 62a_100000212216_100000148710 [0,2,0,0,0,0|1,0,0]=3 3185 B15R1.1191 COC(=O)c1cccnc1SCCCF 62a_100011587185_100011934791 [0,2,0,0,0,0|2,0,0]=4 3186 B15R1.1191 COC(=O)c1cccnc1SCCCF 62a_100011934791_100000150852 [0,2,0,0,0,0|2,0,0]=4 3187 B15R1.1191 COC(=O)c1cccnc1SCCCO 62a_100011215043_100000150852 [0,2,0,0,0,0|2,0,0]=4 3188 B15R1.1191 COC(=O)c1cccnc1SCCCO 62a_100011587185_100011215043 [0,2,0,0,0,0|2,0,0]=4 3189 B15R1.1191 COC(=O)c1cccnc1SCCSC 62a_100000212216_100000150852 [0,2,0,0,0,0|2,0,0]=4 3190 B15R1.1191 COC(=O)c1cccnc1SCCSC 62a_100011587185_100000751147 [0,2,0,0,0,0|2,0,0]=4 3191 B15R1.1191 COC(=O)c1ccncc1SCCCF 62a_100010008606_100011934791 [0,2,0,0,0,0|2,0,0]=4 3192 B15R1.1191 COC(=O)c1ccncc1SCCCF 62a_100011934791_100010008606 [0,2,0,0,0,0|2,0,0]=4 3193 B15R1.1191 COC(=O)c1ccncc1SCCCO 62a_100010008606_100011215043 [0,2,0,0,0,0|2,0,0]=4 3194 B15R1.1191 COC(=O)c1ccncc1SCCCO 62a_100011215043_100010008606 [0,2,0,0,0,0|2,0,0]=4 3195 B15R1.1191 COC(=O)c1ccncc1SCCSC 62a_100000212216_100010008606 [0,2,0,0,0,0|2,0,0]=4 3196 B15R1.1191 COC(=O)c1ccncc1SCCSC 62a_100010008606_100000751147 [0,2,0,0,0,0|2,0,0]=4 3197 B15R1.1191 COC(=O)c1cnccc1SCCCF 62a_100011934791_100020629055 [0,2,0,0,0,0|2,0,0]=4 3198 B15R1.1191 COC(=O)c1cnccc1SCCCF 62a_100020629055_100011934791 [0,2,0,0,0,0|2,0,0]=4 3199 B15R1.1191 COC(=O)c1cnccc1SCCCO 62a_100011215043_100020629055 [0,2,0,0,0,0|2,0,0]=4 3200 B15R1.1191 COC(=O)c1cnccc1SCCCO 62a_100020629055_100011215043 [0,2,0,0,0,0|2,0,0]=4 3201 B15R1.1191 COC(=O)c1cnccc1SCCSC 62a_100000212216_100020629055 [0,2,0,0,0,0|2,0,0]=4 3202 B15R1.1191 COC(=O)c1cnccc1SCCSC 62a_100020629055_100000751147 [0,2,0,0,0,0|2,0,0]=4 3203 B15R1.1191 COC(=O)c1ncccc1SCCCF 62a_100011934791_100011935214 [0,2,0,0,0,0|2,0,0]=4 3204 B15R1.1191 COC(=O)c1ncccc1SCCCF 62a_100011935214_100011934791 [0,2,0,0,0,0|2,0,0]=4 3205 B15R1.1191 COC(=O)c1ncccc1SCCCO 62a_100011215043_100011935214 [0,2,0,0,0,0|2,0,0]=4 3206 B15R1.1191 COC(=O)c1ncccc1SCCCO 62a_100011935214_100011215043 [0,2,0,0,0,0|2,0,0]=4 3207 B15R1.1191 COC(=O)c1ncccc1SCCSC 62a_100000212216_100011935214 [0,2,0,0,0,0|2,0,0]=4 3208 B15R1.1191 COC(=O)c1ncccc1SCCSC 62a_100011935214_100000751147 [0,2,0,0,0,0|2,0,0]=4 3209 B15R1.1191 COCC=Cc1ccccc1C(=O)OC 271570a_100016286323_100000148710 [0,2,0,0,0,0|2,0,0]=4 3210 B15R1.1191 COCCOc1ccccc1C(=O)NO 34a_100000188472_100011201679 [0,2,0,0,0,0|1,1,0]=4 3211 B15R1.1191 COCCOc1ccccc1C(=O)OC 7a_100000150335_100000233755 [0,2,0,0,0,0|1,1,0]=4 3212 B15R1.1191 COCCSc1ccccc1C(=O)NN 62a_100000190081_100000233755 [0,2,0,0,0,0|2,0,0]=4 3213 B15R1.1191 COCCSc1ccccc1C(=O)NN 62a_100000233755_100000190081 [0,2,0,0,0,0|2,0,0]=4 3214 B15R1.1191 COCCSc1ccccc1C(=O)OC 62a_100000148710_100000233755 [0,2,0,0,0,0|1,0,0]=3 3215 B15R1.1191 COCCSc1ccccc1C(=O)OC 62a_100000233755_100000148710 [0,2,0,0,0,0|1,0,0]=3 3216 B15R1.1191 COCCSc1ccccc1C(=O)O[Na] 62a_100000233755_114855342371 [0,2,0,0,0,0|1,0,0]=3 3217 B15R1.1191 COCCSc1cccnc1C(=O)OC 62a_100000233755_100011935214 [0,2,0,0,0,0|2,0,0]=4 3218 B15R1.1191 COCCSc1cccnc1C(=O)OC 62a_100011935214_100000233755 [0,2,0,0,0,0|2,0,0]=4 3219 B15R1.1191 COCCSc1ccncc1C(=O)OC 62a_100000233755_100020629055 [0,2,0,0,0,0|2,0,0]=4 3220 B15R1.1191 COCCSc1ccncc1C(=O)OC 62a_100020629055_100000233755 [0,2,0,0,0,0|2,0,0]=4 3221 B15R1.1191 COCCSc1cnccc1C(=O)OC 62a_100000233755_100010008606 [0,2,0,0,0,0|2,0,0]=4 3222 B15R1.1191 COCCSc1cnccc1C(=O)OC 62a_100010008606_100000233755 [0,2,0,0,0,0|2,0,0]=4 3223 B15R1.1191 COCCSc1ncccc1C(=O)OC 62a_100000233755_100000150852 [0,2,0,0,0,0|2,0,0]=4 3224 B15R1.1191 COCCSc1ncccc1C(=O)OC 62a_100011587185_100000233755 [0,2,0,0,0,0|2,0,0]=4 3225 B15R1.1191 COCSCc1ccccc1C(=O)OC 62a_100000744672_100000766300 [0,2,0,0,0,0|2,0,0]=4 3226 B15R1.1191 COCSCc1ccccc1C(=O)OC 62a_100000766300_100000744672 [0,2,0,0,0,0|2,0,0]=4 3227 B15R1.1191 CSCCOc1ccccc1C(=O)NO 34a_100000188472_100000212216 [0,2,0,0,0,0|1,1,0]=4 3228 B15R1.1191 CSCCSc1ccccc1C(=O)NN 62a_100000190081_100000751147 [0,2,0,0,0,0|2,0,0]=4 3229 B15R1.1191 CSCCSc1ccccc1C(=O)NN 62a_100000212216_100000190081 [0,2,0,0,0,0|2,0,0]=4 3230 B15R1.1191 CSCCSc1ccccc1C(=O)O[Na] 62a_100000212216_114855342371 [0,2,0,0,0,0|1,0,0]=3 3231 B15R1.1191 N#CCCSc1ccccc1C(=O)O[Na] 62a_100011215226_114855342371 [0,2,0,0,0,0|1,0,1]=4 3232 B15R1.1191 NNC(=O)c1ccccc1SCCCF 62a_100000190081_100011934791 [0,2,0,0,0,0|2,0,0]=4 3233 B15R1.1191 NNC(=O)c1ccccc1SCCCF 62a_100011934791_100000190081 [0,2,0,0,0,0|2,0,0]=4 3234 B15R1.1191 NNC(=O)c1ccccc1SCCCO 62a_100000190081_100011215043 [0,2,0,0,0,0|2,0,0]=4 3235 B15R1.1191 NNC(=O)c1ccccc1SCCCO 62a_100011215043_100000190081 [0,2,0,0,0,0|2,0,0]=4 3236 B15R1.1191 O=C(NO)c1ccccc1OCCCF 34a_100000188472_100011934791 [0,2,0,0,0,0|1,1,0]=4 3237 B15R1.1191 O=C(NO)c1ccccc1OCCCO 34a_100000188472_100000230001 [0,2,0,0,0,0|1,1,0]=4 3238 B15R1.1191 O=C(O[Na])c1ccccc1SCCCF 62a_100011934791_114855342371 [0,2,0,0,0,0|1,0,0]=3 3239 B15R1.1191 O=C(O[Na])c1ccccc1SCCCO 62a_100011215043_114855342371 [0,2,0,0,0,0|1,0,0]=3 3240 B15R1.3847 CC(CO)Sc1ccccc1C(=O)O[Na] 62a_100012180447_114855342371 [0,2,0,0,0,0|2,0,0]=4 3241 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210414_100000744672 [0,2,0,0,0,0|2,0,0]=4 3242 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210202 [0,2,0,0,0,0|2,0,0]=4 3243 B15R1.3847 CCC(C)Oc1ccccc1C(=O)NO 34a_100000188472_100011215416 [0,2,0,0,0,0|1,1,0]=4 3244 B15R1.3847 CCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_100000758301 [0,2,0,0,0,0|1,1,0]=4 3245 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NC 62a_100000155073_100000758301 [0,2,0,0,0,0|2,0,0]=4 3246 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NC 62a_100000758301_100000155073 [0,2,0,0,0,0|2,0,0]=4 3247 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NN 62a_100000190081_100000758301 [0,2,0,0,0,0|2,0,0]=4 3248 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NN 62a_100000758301_100000190081 [0,2,0,0,0,0|2,0,0]=4 3249 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000148710_100000758301 [0,2,0,0,0,0|1,0,0]=3 3250 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000758301_100000148710 [0,2,0,0,0,0|1,0,0]=3 3251 B15R1.3847 CCC(C)Sc1ccccc1C(=O)O[Na] 62a_100000758301_114855342371 [0,2,0,0,0,0|1,0,0]=3 3252 B15R1.3847 CCC(C)Sc1cccnc1C(=O)OC 62a_100000758301_100011935214 [0,2,0,0,0,0|2,0,0]=4 3253 B15R1.3847 CCC(C)Sc1cccnc1C(=O)OC 62a_100011935214_100000758301 [0,2,0,0,0,0|2,0,0]=4 3254 B15R1.3847 CCC(C)Sc1ccncc1C(=O)OC 62a_100000758301_100020629055 [0,2,0,0,0,0|2,0,0]=4 3255 B15R1.3847 CCC(C)Sc1ccncc1C(=O)OC 62a_100020629055_100000758301 [0,2,0,0,0,0|2,0,0]=4 3256 B15R1.3847 CCC(C)Sc1cnccc1C(=O)OC 62a_100000758301_100010008606 [0,2,0,0,0,0|2,0,0]=4 3257 B15R1.3847 CCC(C)Sc1cnccc1C(=O)OC 62a_100010008606_100000758301 [0,2,0,0,0,0|2,0,0]=4 3258 B15R1.3847 CCC(C)Sc1ncccc1C(=O)OC 62a_100000758301_100000150852 [0,2,0,0,0,0|2,0,0]=4 3259 B15R1.3847 CCC(C)Sc1ncccc1C(=O)OC 62a_100011587185_100000758301 [0,2,0,0,0,0|2,0,0]=4 3260 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 2230a_100000225621_100000744672 [0,2,0,0,0,0|2,0,0]=4 3261 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 269982a_100000225621_100000744672 [0,2,0,0,0,0|2,0,0]=4 3262 B15R1.3847 COC(=O)c1ccccc1SC(C)CO 62a_100012180447_100000148710 [0,2,0,0,0,0|2,0,0]=4 3263 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100000148710_100009879195 [0,2,0,0,0,0|2,0,0]=4 3264 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000148710 [0,2,0,0,0,0|2,0,0]=4 3265 B15R1.3847 COC(=O)c1ccccc1S[C@H](C)CO 62a_100000148710_100016084084 [0,2,0,0,0,0|2,0,0]=4 3266 B15R1.3847 COC(=O)c1ccccc1S[C@H](C)CO 62a_100016084084_100000148710 [0,2,0,0,0,0|2,0,0]=4 3267 B15R1.3847 COC(C)Sc1ccccc1C(=O)O[Na] 62a_100009879195_114855342371 [0,2,0,0,0,0|2,0,0]=4 3268 B15R1.3847 C[C@H](CO)Sc1ccccc1C(=O)O[Na] 62a_100016084084_114855342371 [0,2,0,0,0,0|2,0,0]=4 3269 B15R1.5344 CCCCc1c(cccc1C(=O)OC)Br 271570a_100020621405_100010150843 [0,2,0,0,0,0|2,0,0]=4 3270 B15R1.5344 CCCCc1c(cccc1C(=O)OC)C 271570a_100020621405_100012002529 [0,2,0,0,0,0|2,0,0]=4 3271 B15R1.5344 CCCCc1c(cccc1C(=O)OC)F 271570a_100020621405_100012357630 [0,2,0,0,0,0|2,0,0]=4 3272 B15R1.5344 CCCCc1c(cccc1C(=O)OC)N 271570a_100020621405_100000719424 [0,2,0,0,0,0|2,0,0]=4 3273 B15R1.5344 CCCCc1c(cccc1C(=O)OC)O 271570a_100020621405_200010230364 [0,2,0,0,0,0|2,0,0]=4 3274 B15R1.5344 CCCOc1c(cccc1C(=O)OC)Br 34a_100009816214_100000210303 [0,2,0,0,0,0|1,1,0]=4 3275 B15R1.5344 CCCOc1c(cccc1C(=O)OC)C 34a_100000149854_100000210303 [0,2,0,0,0,0|1,1,0]=4 3276 B15R1.5344 CCCOc1c(cccc1C(=O)OC)C 7a_100000149854_100000210303 [0,2,0,0,0,0|1,1,0]=4 3277 B15R1.5344 CCCOc1c(cccc1C(=O)OC)Cl 34a_100000074923_100000210303 [0,2,0,0,0,0|1,1,0]=4 3278 B15R1.5344 CCCOc1c(cccc1C(=O)OC)Cl 7a_100000074923_100000210303 [0,2,0,0,0,0|1,1,0]=4 3279 B15R1.5344 CCCOc1c(cccc1C(=O)OC)F 34a_100000082593_100000210303 [0,2,0,0,0,0|1,1,0]=4 3280 B15R1.5344 CCCOc1c(cccc1C(=O)OC)F 7a_100000082593_100000210303 [0,2,0,0,0,0|1,1,0]=4 3281 B15R1.5344 CCCOc1c(cccc1C(=O)OC)N 34a_100000750886_100000210303 [0,2,0,0,0,0|1,1,0]=4 3282 B15R1.5344 CCCSc1c(cccc1C(=O)NN)C 62a_100000210303_200012340524 [0,2,0,0,0,0|2,0,0]=4 3283 B15R1.5344 CCCSc1c(cccc1C(=O)NN)C 62a_200012340524_100000210303 [0,2,0,0,0,0|2,0,0]=4 3284 B15R1.5344 CCCSc1c(cccc1C(=O)OC)Br 62a_100000210303_100010150843 [0,2,0,0,0,0|1,0,0]=3 3285 B15R1.5344 CCCSc1c(cccc1C(=O)OC)Br 62a_100010150843_100000210303 [0,2,0,0,0,0|1,0,0]=3 3286 B15R1.5344 CCCSc1c(cccc1C(=O)OC)C 62a_100000210303_100012002529 [0,2,0,0,0,0|1,0,0]=3 3287 B15R1.5344 CCCSc1c(cccc1C(=O)OC)C 62a_100012002529_100000210303 [0,2,0,0,0,0|1,0,0]=3 3288 B15R1.5344 CCCSc1c(cccc1C(=O)OC)F 62a_100000210303_100012357630 [0,2,0,0,0,0|1,0,0]=3 3289 B15R1.5344 CCCSc1c(cccc1C(=O)OC)F 62a_100012357630_100000210303 [0,2,0,0,0,0|1,0,0]=3 3290 B15R1.5344 CCCSc1c(cccc1C(=O)OC)N 62a_100000719424_100000210303 [0,2,0,0,0,0|1,0,0]=3 3291 B15R1.5344 CCCSc1c(cccc1C(=O)OC)O 62a_100000210303_200010230364 [0,2,0,0,0,0|1,0,0]=3 3292 B15R1.5344 CCCSc1c(cccc1C(=O)OC)O 62a_200010230364_100000210303 [0,2,0,0,0,0|1,0,0]=3 3293 B15R1.5344 CCNCc1c(cccc1C(=O)OC)Br 2230a_100015525214_100012352084 [0,2,0,0,0,0|2,0,0]=4 3294 B15R1.5344 CCNCc1c(cccc1C(=O)OC)Cl 2230a_100015525214_100000725332 [0,2,0,0,0,0|2,0,0]=4 3295 B15R1.5344 CCNCc1c(cccc1C(=O)OC)F 2230a_100015525214_100010239718 [0,2,0,0,0,0|2,0,0]=4 3296 B15R1.5344 CCNCc1c(cccc1C(=O)OC)I 2230a_100015525214_100011003723 [0,2,0,0,0,0|2,0,0]=4 3297 B15R1.5344 CCOCc1c(cccc1C(=O)OC)Br 34a_100121572206_100012352084 [0,2,0,0,0,0|2,0,0]=4 3298 B15R1.5344 CCOCc1c(cccc1C(=O)OC)Cl 34a_100121572206_100000725332 [0,2,0,0,0,0|2,0,0]=4 3299 B15R1.5344 CCOCc1c(cccc1C(=O)OC)F 34a_100121572206_100010239718 [0,2,0,0,0,0|2,0,0]=4 3300 B15R1.5344 CCOCc1c(cccc1C(=O)OC)I 34a_100121572206_100011003723 [0,2,0,0,0,0|2,0,0]=4 3301 B15R1.5344 CCSCc1c(cccc1C(=O)OC)Br 62a_100012352084_100000210202 [0,2,0,0,0,0|2,0,0]=4 3302 B15R1.5344 CCSCc1c(cccc1C(=O)OC)Cl 62a_100000725332_100000210202 [0,2,0,0,0,0|2,0,0]=4 3303 B15R1.5344 CCSCc1c(cccc1C(=O)OC)F 62a_100000210202_100010239718 [0,2,0,0,0,0|2,0,0]=4 3304 B15R1.5344 CCSCc1c(cccc1C(=O)OC)F 62a_100010239718_100000210202 [0,2,0,0,0,0|2,0,0]=4 3305 B15R1.5344 CCSCc1c(cccc1C(=O)OC)I 62a_100000210202_100011003723 [0,2,0,0,0,0|2,0,0]=4 3306 B15R1.5344 CCSCc1c(cccc1C(=O)OC)I 62a_100011003723_100000210202 [0,2,0,0,0,0|2,0,0]=4 3307 B15R1.5344 COC(=O)c1cccc(c1SCCF)Br 62a_100010150843_100011217306 [0,2,0,0,0,0|2,0,0]=4 3308 B15R1.5344 COC(=O)c1cccc(c1SCCF)Br 62a_100011217306_100010150843 [0,2,0,0,0,0|2,0,0]=4 3309 B15R1.5344 COC(=O)c1cccc(c1SCCF)C 62a_100011217306_100012002529 [0,2,0,0,0,0|2,0,0]=4 3310 B15R1.5344 COC(=O)c1cccc(c1SCCF)C 62a_100012002529_100011217306 [0,2,0,0,0,0|2,0,0]=4 3311 B15R1.5344 COC(=O)c1cccc(c1SCCF)F 62a_100011217306_100012357630 [0,2,0,0,0,0|2,0,0]=4 3312 B15R1.5344 COC(=O)c1cccc(c1SCCF)F 62a_100012357630_100011217306 [0,2,0,0,0,0|2,0,0]=4 3313 B15R1.5344 COC(=O)c1cccc(c1SCCF)N 62a_100000719424_100011217306 [0,2,0,0,0,0|2,0,0]=4 3314 B15R1.5344 COC(=O)c1cccc(c1SCCF)O 62a_100011217306_200010230364 [0,2,0,0,0,0|2,0,0]=4 3315 B15R1.5344 COC(=O)c1cccc(c1SCCF)O 62a_200010230364_100011217306 [0,2,0,0,0,0|2,0,0]=4 3316 B15R1.5344 COC(=O)c1cccc(c1SCCO)Br 62a_100000211926_100010150843 [0,2,0,0,0,0|2,0,0]=4 3317 B15R1.5344 COC(=O)c1cccc(c1SCCO)Br 62a_100010150843_100000211926 [0,2,0,0,0,0|2,0,0]=4 3318 B15R1.5344 COC(=O)c1cccc(c1SCCO)C 62a_100000211926_100012002529 [0,2,0,0,0,0|2,0,0]=4 3319 B15R1.5344 COC(=O)c1cccc(c1SCCO)C 62a_100012002529_100000211926 [0,2,0,0,0,0|2,0,0]=4 3320 B15R1.5344 COC(=O)c1cccc(c1SCCO)F 62a_100000211926_100012357630 [0,2,0,0,0,0|2,0,0]=4 3321 B15R1.5344 COC(=O)c1cccc(c1SCCO)F 62a_100012357630_100000211926 [0,2,0,0,0,0|2,0,0]=4 3322 B15R1.5344 COC(=O)c1cccc(c1SCCO)N 62a_100000719424_100000211926 [0,2,0,0,0,0|2,0,0]=4 3323 B15R1.5344 COC(=O)c1cccc(c1SCCO)O 62a_100000211926_200010230364 [0,2,0,0,0,0|2,0,0]=4 3324 B15R1.5344 COC(=O)c1cccc(c1SCCO)O 62a_200010230364_100000211926 [0,2,0,0,0,0|2,0,0]=4 3325 B15R1.5344 COC(=O)c1cccc(c1SCSC)Br 62a_100010150843_100011218213 [0,2,0,0,0,0|2,0,0]=4 3326 B15R1.5344 COC(=O)c1cccc(c1SCSC)Br 62a_100011218213_100010150843 [0,2,0,0,0,0|2,0,0]=4 3327 B15R1.5344 COC(=O)c1cccc(c1SCSC)C 62a_100011218213_100012002529 [0,2,0,0,0,0|2,0,0]=4 3328 B15R1.5344 COC(=O)c1cccc(c1SCSC)C 62a_100012002529_100011218213 [0,2,0,0,0,0|2,0,0]=4 3329 B15R1.5344 COC(=O)c1cccc(c1SCSC)F 62a_100011218213_100012357630 [0,2,0,0,0,0|2,0,0]=4 3330 B15R1.5344 COC(=O)c1cccc(c1SCSC)F 62a_100012357630_100011218213 [0,2,0,0,0,0|2,0,0]=4 3331 B15R1.5344 COC(=O)c1cccc(c1SCSC)N 62a_100000719424_100011218213 [0,2,0,0,0,0|2,0,0]=4 3332 B15R1.5344 COC(=O)c1cccc(c1SCSC)O 62a_100011218213_200010230364 [0,2,0,0,0,0|2,0,0]=4 3333 B15R1.5344 COC(=O)c1cccc(c1SCSC)O 62a_200010230364_100011218213 [0,2,0,0,0,0|2,0,0]=4 3334 B15R1.5344 COCSc1c(cccc1C(=O)OC)Br 62a_100000766300_100010150843 [0,2,0,0,0,0|2,0,0]=4 3335 B15R1.5344 COCSc1c(cccc1C(=O)OC)Br 62a_100010150843_100000766300 [0,2,0,0,0,0|2,0,0]=4 3336 B15R1.5344 COCSc1c(cccc1C(=O)OC)C 62a_100000766300_100012002529 [0,2,0,0,0,0|2,0,0]=4 3337 B15R1.5344 COCSc1c(cccc1C(=O)OC)C 62a_100012002529_100000766300 [0,2,0,0,0,0|2,0,0]=4 3338 B15R1.5344 COCSc1c(cccc1C(=O)OC)F 62a_100000766300_100012357630 [0,2,0,0,0,0|2,0,0]=4 3339 B15R1.5344 COCSc1c(cccc1C(=O)OC)F 62a_100012357630_100000766300 [0,2,0,0,0,0|2,0,0]=4 3340 B15R1.5344 COCSc1c(cccc1C(=O)OC)N 62a_100000719424_100000766300 [0,2,0,0,0,0|2,0,0]=4 3341 B15R1.5344 COCSc1c(cccc1C(=O)OC)O 62a_100000766300_200010230364 [0,2,0,0,0,0|2,0,0]=4 3342 B15R1.5344 COCSc1c(cccc1C(=O)OC)O 62a_200010230364_100000766300 [0,2,0,0,0,0|2,0,0]=4 3343 B15R1.11246 CCCCc1cccc(c1C(=O)OC)Br 271570a_100020621405_100010247157 [0,2,0,0,0,0|2,0,0]=4 3344 B15R1.11246 CCCCc1cccc(c1C(=O)OC)C 271570a_100020621405_100010204206 [0,2,0,0,0,0|2,0,0]=4 3345 B15R1.11246 CCCCc1cccc(c1C(=O)OC)Cl 271570a_100020621405_100010150959 [0,2,0,0,0,0|2,0,0]=4 3346 B15R1.11246 CCCCc1cccc(c1C(=O)OC)F 271570a_100020621405_100000150693 [0,2,0,0,0,0|2,0,0]=4 3347 B15R1.11246 CCCCc1cccc(c1C(=O)OC)N 271570a_100020621405_100010253892 [0,2,0,0,0,0|2,0,0]=4 3348 B15R1.11246 CCCOc1cccc(c1C(=O)OC)C 34a_100000084604_100000210303 [0,2,0,0,0,0|1,1,0]=4 3349 B15R1.11246 CCCOc1cccc(c1C(=O)OC)C 7a_100000084604_100000210303 [0,2,0,0,0,0|1,1,0]=4 3350 B15R1.11246 CCCOc1cccc(c1C(=O)OC)Cl 34a_200000055445_100000210303 [0,2,0,0,0,0|1,1,0]=4 3351 B15R1.11246 CCCOc1cccc(c1C(=O)OC)Cl 7a_200000055445_100000210303 [0,2,0,0,0,0|1,1,0]=4 3352 B15R1.11246 CCCOc1cccc(c1C(=O)OC)F 34a_100011216559_100000210303 [0,2,0,0,0,0|1,1,0]=4 3353 B15R1.11246 CCCOc1cccc(c1C(=O)OC)F 7a_100011216559_100000210303 [0,2,0,0,0,0|1,1,0]=4 3354 B15R1.11246 CCCSc1cccc(c1C(=O)NC)F 62a_100000210303_100012642803 [0,2,0,0,0,0|2,0,0]=4 3355 B15R1.11246 CCCSc1cccc(c1C(=O)NC)F 62a_100012642803_100000210303 [0,2,0,0,0,0|2,0,0]=4 3356 B15R1.11246 CCCSc1cccc(c1C(=O)OC)Br 62a_100000210303_100010247157 [0,2,0,0,0,0|1,0,0]=3 3357 B15R1.11246 CCCSc1cccc(c1C(=O)OC)Br 62a_100010247157_100000210303 [0,2,0,0,0,0|1,0,0]=3 3358 B15R1.11246 CCCSc1cccc(c1C(=O)OC)C 62a_100000210303_100010204206 [0,2,0,0,0,0|1,0,0]=3 3359 B15R1.11246 CCCSc1cccc(c1C(=O)OC)C 62a_100010204206_100000210303 [0,2,0,0,0,0|1,0,0]=3 3360 B15R1.11246 CCCSc1cccc(c1C(=O)OC)Cl 62a_100000210303_100010150959 [0,2,0,0,0,0|1,0,0]=3 3361 B15R1.11246 CCCSc1cccc(c1C(=O)OC)Cl 62a_100010150959_100000210303 [0,2,0,0,0,0|1,0,0]=3 3362 B15R1.11246 CCCSc1cccc(c1C(=O)OC)F 62a_100000150693_100000210303 [0,2,0,0,0,0|1,0,0]=3 3363 B15R1.11246 CCCSc1cccc(c1C(=O)OC)F 62a_100000210303_100000150693 [0,2,0,0,0,0|1,0,0]=3 3364 B15R1.11246 CCCSc1cccc(c1C(=O)OC)N 62a_100010253892_100000210303 [0,2,0,0,0,0|1,0,0]=3 3365 B15R1.11246 CCCSc1ccnc(c1C(=O)OC)Cl 62a_100000210303_100010138530 [0,2,0,0,0,0|2,0,0]=4 3366 B15R1.11246 CCCSc1ccnc(c1C(=O)OC)F 62a_100000210303_100010150474 [0,2,0,0,0,0|2,0,0]=4 3367 B15R1.11246 CCCSc1ccnc(c1C(=O)OC)F 62a_100010150474_100000210303 [0,2,0,0,0,0|2,0,0]=4 3368 B15R1.11246 CCCSc1cncc(c1C(=O)OC)F 62a_100000210303_100010189632 [0,2,0,0,0,0|2,0,0]=4 3369 B15R1.11246 CCCSc1cncc(c1C(=O)OC)F 62a_100010189632_100000210303 [0,2,0,0,0,0|2,0,0]=4 3370 B15R1.11246 CCCSc1nccc(c1C(=O)OC)F 62a_100000210303_100015560809 [0,2,0,0,0,0|2,0,0]=4 3371 B15R1.11246 CCCSc1nccc(c1C(=O)OC)F 62a_100015560809_100000210303 [0,2,0,0,0,0|2,0,0]=4 3372 B15R1.11246 CCCSc1nccc(c1C(=O)OC)N 62a_100000210303_100009985557 [0,2,0,0,0,0|2,0,0]=4 3373 B15R1.11246 CCNCc1cccc(c1C(=O)OC)I 2230a_100015525214_200010272806 [0,2,0,0,0,0|2,0,0]=4 3374 B15R1.11246 CCOCc1cccc(c1C(=O)OC)I 34a_100121572206_200010272806 [0,2,0,0,0,0|2,0,0]=4 3375 B15R1.11246 CCSCc1cccc(c1C(=O)OC)I 62a_100000210202_200010272806 [0,2,0,0,0,0|2,0,0]=4 3376 B15R1.11246 CCSCc1cccc(c1C(=O)OC)I 62a_200010272806_100000210202 [0,2,0,0,0,0|2,0,0]=4 3377 B15R1.11246 COC(=O)c1c(cccc1SCCF)Br 62a_100010247157_100011217306 [0,2,0,0,0,0|2,0,0]=4 3378 B15R1.11246 COC(=O)c1c(cccc1SCCF)Br 62a_100011217306_100010247157 [0,2,0,0,0,0|2,0,0]=4 3379 B15R1.11246 COC(=O)c1c(cccc1SCCF)C 62a_100010204206_100011217306 [0,2,0,0,0,0|2,0,0]=4 3380 B15R1.11246 COC(=O)c1c(cccc1SCCF)C 62a_100011217306_100010204206 [0,2,0,0,0,0|2,0,0]=4 3381 B15R1.11246 COC(=O)c1c(cccc1SCCF)Cl 62a_100010150959_100011217306 [0,2,0,0,0,0|2,0,0]=4 3382 B15R1.11246 COC(=O)c1c(cccc1SCCF)Cl 62a_100011217306_100010150959 [0,2,0,0,0,0|2,0,0]=4 3383 B15R1.11246 COC(=O)c1c(cccc1SCCF)F 62a_100000150693_100011217306 [0,2,0,0,0,0|2,0,0]=4 3384 B15R1.11246 COC(=O)c1c(cccc1SCCF)F 62a_100011217306_100000150693 [0,2,0,0,0,0|2,0,0]=4 3385 B15R1.11246 COC(=O)c1c(cccc1SCCF)N 62a_100010253892_100011217306 [0,2,0,0,0,0|2,0,0]=4 3386 B15R1.11246 COC(=O)c1c(cccc1SCCO)Br 62a_100000211926_100010247157 [0,2,0,0,0,0|2,0,0]=4 3387 B15R1.11246 COC(=O)c1c(cccc1SCCO)Br 62a_100010247157_100000211926 [0,2,0,0,0,0|2,0,0]=4 3388 B15R1.11246 COC(=O)c1c(cccc1SCCO)C 62a_100000211926_100010204206 [0,2,0,0,0,0|2,0,0]=4 3389 B15R1.11246 COC(=O)c1c(cccc1SCCO)C 62a_100010204206_100000211926 [0,2,0,0,0,0|2,0,0]=4 3390 B15R1.11246 COC(=O)c1c(cccc1SCCO)Cl 62a_100000211926_100010150959 [0,2,0,0,0,0|2,0,0]=4 3391 B15R1.11246 COC(=O)c1c(cccc1SCCO)Cl 62a_100010150959_100000211926 [0,2,0,0,0,0|2,0,0]=4 3392 B15R1.11246 COC(=O)c1c(cccc1SCCO)F 62a_100000150693_100000211926 [0,2,0,0,0,0|2,0,0]=4 3393 B15R1.11246 COC(=O)c1c(cccc1SCCO)F 62a_100000211926_100000150693 [0,2,0,0,0,0|2,0,0]=4 3394 B15R1.11246 COC(=O)c1c(cccc1SCCO)N 62a_100010253892_100000211926 [0,2,0,0,0,0|2,0,0]=4 3395 B15R1.11246 COC(=O)c1c(cccc1SCSC)Br 62a_100010247157_100011218213 [0,2,0,0,0,0|2,0,0]=4 3396 B15R1.11246 COC(=O)c1c(cccc1SCSC)Br 62a_100011218213_100010247157 [0,2,0,0,0,0|2,0,0]=4 3397 B15R1.11246 COC(=O)c1c(cccc1SCSC)C 62a_100010204206_100011218213 [0,2,0,0,0,0|2,0,0]=4 3398 B15R1.11246 COC(=O)c1c(cccc1SCSC)C 62a_100011218213_100010204206 [0,2,0,0,0,0|2,0,0]=4 3399 B15R1.11246 COC(=O)c1c(cccc1SCSC)Cl 62a_100010150959_100011218213 [0,2,0,0,0,0|2,0,0]=4 3400 B15R1.11246 COC(=O)c1c(cccc1SCSC)Cl 62a_100011218213_100010150959 [0,2,0,0,0,0|2,0,0]=4 3401 B15R1.11246 COC(=O)c1c(cccc1SCSC)F 62a_100000150693_100011218213 [0,2,0,0,0,0|2,0,0]=4 3402 B15R1.11246 COC(=O)c1c(cccc1SCSC)F 62a_100011218213_100000150693 [0,2,0,0,0,0|2,0,0]=4 3403 B15R1.11246 COC(=O)c1c(cccc1SCSC)N 62a_100010253892_100011218213 [0,2,0,0,0,0|2,0,0]=4 3404 B15R1.11246 COCSc1cccc(c1C(=O)OC)Br 62a_100000766300_100010247157 [0,2,0,0,0,0|2,0,0]=4 3405 B15R1.11246 COCSc1cccc(c1C(=O)OC)Br 62a_100010247157_100000766300 [0,2,0,0,0,0|2,0,0]=4 3406 B15R1.11246 COCSc1cccc(c1C(=O)OC)C 62a_100000766300_100010204206 [0,2,0,0,0,0|2,0,0]=4 3407 B15R1.11246 COCSc1cccc(c1C(=O)OC)C 62a_100010204206_100000766300 [0,2,0,0,0,0|2,0,0]=4 3408 B15R1.11246 COCSc1cccc(c1C(=O)OC)Cl 62a_100000766300_100010150959 [0,2,0,0,0,0|2,0,0]=4 3409 B15R1.11246 COCSc1cccc(c1C(=O)OC)Cl 62a_100010150959_100000766300 [0,2,0,0,0,0|2,0,0]=4 3410 B15R1.11246 COCSc1cccc(c1C(=O)OC)F 62a_100000150693_100000766300 [0,2,0,0,0,0|2,0,0]=4 3411 B15R1.11246 COCSc1cccc(c1C(=O)OC)F 62a_100000766300_100000150693 [0,2,0,0,0,0|2,0,0]=4 3412 B15R1.11246 COCSc1cccc(c1C(=O)OC)N 62a_100010253892_100000766300 [0,2,0,0,0,0|2,0,0]=4 3413 B15R1.241 C#CCCCSc1ccccc1C(=O)C 62a_100000751169_100011215417 [0,2,0,0,0,0|2,0,0]=4 3414 B15R1.241 C#CCCCSc1ccccc1C(=O)N 62a_100000162227_100011215417 [0,2,0,0,0,0|2,0,0]=4 3415 B15R1.241 C#CCCCSc1ccccc1C(=O)N 62a_100011215417_100000162227 [0,2,0,0,0,0|2,0,0]=4 3416 B15R1.241 C#CCCCSc1ccccc1C(=O)O 62a_100011215417_100000734275 [0,2,0,0,0,0|1,0,0]=3 3417 B15R1.241 C#CCCCSc1ccccc1C(=O)O 62a_202125556159_100011215417 [0,2,0,0,0,0|1,0,0]=3 3418 B15R1.241 C#CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000688953 [0,2,0,0,0,0|2,0,0]=4 3419 B15R1.241 C/C=C/CNCc1ccccc1C(=O)O 269956a_100015183376_100102629194 [0,2,0,0,0,0|2,0,0]=4 3420 B15R1.241 C=CCCCSc1ccccc1C(=O)C 62a_100000751169_100000757094 [0,2,0,0,0,0|2,0,0]=4 3421 B15R1.241 C=CCCCSc1ccccc1C(=O)N 62a_100000162227_100000757094 [0,2,0,0,0,0|2,0,0]=4 3422 B15R1.241 C=CCCCSc1ccccc1C(=O)N 62a_100011713584_100000162227 [0,2,0,0,0,0|2,0,0]=4 3423 B15R1.241 C=CCCCSc1ccccc1C(=O)O 62a_100011713584_100000734275 [0,2,0,0,0,0|1,0,0]=3 3424 B15R1.241 C=CCCCSc1ccccc1C(=O)O 62a_202125556159_100000757094 [0,2,0,0,0,0|1,0,0]=3 3425 B15R1.241 C=CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000754431 [0,2,0,0,0,0|2,0,0]=4 3426 B15R1.241 C=COCCSc1ccccc1C(=O)O 62a_100000039644_100000734275 [0,2,0,0,0,0|1,0,1]=4 3427 B15R1.241 C=COCCSc1ccccc1C(=O)O 62a_202125556159_100000039644 [0,2,0,0,0,0|1,0,1]=4 3428 B15R1.241 CC#CCNCc1ccccc1C(=O)O 269956a_100015183376_100000748600 [0,2,0,0,0,0|2,0,0]=4 3429 B15R1.241 CC(=O)c1ccccc1SCCCC#N 62a_100000751169_100000687738 [0,2,0,0,0,0|2,0,0]=4 3430 B15R1.241 CC(=O)c1ccccc1SCCCC=O 62a_100000751169_200011292268 [0,2,0,0,0,0|2,0,0]=4 3431 B15R1.241 CC(=O)c1ccccc1SCCCCF 62a_100000751169_100000729493 [0,2,0,0,0,0|2,0,0]=4 3432 B15R1.241 CC(=O)c1ccccc1SCCCCO 62a_100000751169_100000210776 [0,2,0,0,0,0|2,0,0]=4 3433 B15R1.241 CC/C=C\CSc1ccccc1C(=O)C 62a_100000751169_100103147603 [0,2,0,0,0,0|2,0,0]=4 3434 B15R1.241 CC/C=C\CSc1ccccc1C(=O)N 62a_100000162227_100103147603 [0,2,0,0,0,0|2,0,0]=4 3435 B15R1.241 CC/C=C\CSc1ccccc1C(=O)N 62a_100103147603_100000162227 [0,2,0,0,0,0|2,0,0]=4 3436 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_100103147603_100000734275 [0,2,0,0,0,0|1,0,0]=3 3437 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_202125556159_100103147603 [0,2,0,0,0,0|1,0,0]=3 3438 B15R1.241 CCC#CCSc1ccccc1C(=O)C 62a_100000751169_100009813939 [0,2,0,0,0,0|2,0,0]=4 3439 B15R1.241 CCC#CCSc1ccccc1C(=O)N 62a_100000162227_100009813939 [0,2,0,0,0,0|2,0,0]=4 3440 B15R1.241 CCC#CCSc1ccccc1C(=O)N 62a_100009813939_100000162227 [0,2,0,0,0,0|2,0,0]=4 3441 B15R1.241 CCC#CCSc1ccccc1C(=O)O 62a_100009813939_100000734275 [0,2,0,0,0,0|1,0,0]=3 3442 B15R1.241 CCC#CCSc1ccccc1C(=O)O 62a_202125556159_100009813939 [0,2,0,0,0,0|1,0,0]=3 3443 B15R1.241 CCCCCSc1ccccc1C(=O)C 62a_100000751169_100000210326 [0,2,0,0,0,0|2,0,0]=4 3444 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000162227_100000210326 [0,2,0,0,0,0|2,0,0]=4 3445 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000210326_100000162227 [0,2,0,0,0,0|2,0,0]=4 3446 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_100000210326_100000734275 [0,2,0,0,0,0|1,0,0]=3 3447 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210326 [0,2,0,0,0,0|1,0,0]=3 3448 B15R1.241 CCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210211 [0,2,0,0,0,0|2,0,0]=4 3449 B15R1.241 CCOCCSc1ccccc1C(=O)C 62a_100000751169_100011215890 [0,2,0,0,0,0|2,0,0]=4 3450 B15R1.241 CCOCCSc1ccccc1C(=O)N 62a_100000162227_100011215890 [0,2,0,0,0,0|2,0,0]=4 3451 B15R1.241 CCOCCSc1ccccc1C(=O)N 62a_100000210147_100000162227 [0,2,0,0,0,0|2,0,0]=4 3452 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_100000210147_100000734275 [0,2,0,0,0,0|1,0,0]=3 3453 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_202125556159_100011215890 [0,2,0,0,0,0|1,0,0]=3 3454 B15R1.241 CCOCNCc1ccccc1C(=O)O 269956a_100015183376_100000739092 [0,2,0,0,0,0|2,0,0]=4 3455 B15R1.241 CCSCCSc1ccccc1C(=O)C 62a_100000751169_100000757381 [0,2,0,0,0,0|2,0,0]=4 3456 B15R1.241 CCSCCSc1ccccc1C(=O)N 62a_100000162227_100000757381 [0,2,0,0,0,0|2,0,0]=4 3457 B15R1.241 CCSCCSc1ccccc1C(=O)N 62a_100000757381_100000162227 [0,2,0,0,0,0|2,0,0]=4 3458 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_100000757381_100000734275 [0,2,0,0,0,0|1,0,0]=3 3459 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_202125556159_100000757381 [0,2,0,0,0,0|1,0,0]=3 3460 B15R1.241 COCCCSc1ccccc1C(=O)C 62a_100000751169_100000709357 [0,2,0,0,0,0|2,0,0]=4 3461 B15R1.241 COCCCSc1ccccc1C(=O)N 62a_100000162227_100000709357 [0,2,0,0,0,0|2,0,0]=4 3462 B15R1.241 COCCCSc1ccccc1C(=O)N 62a_100000709357_100000162227 [0,2,0,0,0,0|2,0,0]=4 3463 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_100000709357_100000734275 [0,2,0,0,0,0|1,0,0]=3 3464 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_202125556159_100000709357 [0,2,0,0,0,0|1,0,0]=3 3465 B15R1.241 COCCNCc1ccccc1C(=O)O 269956a_100015183376_100000233755 [0,2,0,0,0,0|2,0,0]=4 3466 B15R1.241 CSCCNCc1ccccc1C(=O)O 269956a_100015183376_100000212216 [0,2,0,0,0,0|2,0,0]=4 3467 B15R1.241 N#CCCCSc1ccccc1C(=O)N 62a_100000162227_100000687738 [0,2,0,0,0,0|2,0,0]=4 3468 B15R1.241 N#CCCCSc1ccccc1C(=O)N 62a_100000687738_100000162227 [0,2,0,0,0,0|2,0,0]=4 3469 B15R1.241 N#CCCCSc1ccccc1C(=O)O 62a_100000687738_100000734275 [0,2,0,0,0,0|1,0,0]=3 3470 B15R1.241 N#CCCCSc1ccccc1C(=O)O 62a_202125556159_100000687738 [0,2,0,0,0,0|1,0,0]=3 3471 B15R1.241 N#CCCNCc1ccccc1C(=O)O 269956a_100015183376_100011215226 [0,2,0,0,0,0|2,0,0]=4 3472 B15R1.241 N#CSCCSc1ccccc1C(=O)O 62a_100000034367_100000734275 [0,2,0,0,0,0|1,0,1]=4 3473 B15R1.241 N#CSCCSc1ccccc1C(=O)O 62a_202125556159_100000034367 [0,2,0,0,0,0|1,0,1]=4 3474 B15R1.241 NC(=O)c1ccccc1SCCCC=O 62a_100000162227_200011292268 [0,2,0,0,0,0|2,0,0]=4 3475 B15R1.241 NC(=O)c1ccccc1SCCCC=O 62a_200011292268_100000162227 [0,2,0,0,0,0|2,0,0]=4 3476 B15R1.241 NC(=O)c1ccccc1SCCCCF 62a_100000162227_100000729493 [0,2,0,0,0,0|2,0,0]=4 3477 B15R1.241 NC(=O)c1ccccc1SCCCCF 62a_100000729493_100000162227 [0,2,0,0,0,0|2,0,0]=4 3478 B15R1.241 NC(=O)c1ccccc1SCCCCO 62a_100000162227_100000210776 [0,2,0,0,0,0|2,0,0]=4 3479 B15R1.241 NC(=O)c1ccccc1SCCCCO 62a_100000210776_100000162227 [0,2,0,0,0,0|2,0,0]=4 3480 B15R1.241 O=C(O)c1ccccc1CNCCCF 269956a_100015183376_100011934791 [0,2,0,0,0,0|2,0,0]=4 3481 B15R1.241 O=C(O)c1ccccc1CNCCCO 269956a_100015183376_100011215043 [0,2,0,0,0,0|2,0,0]=4 3482 B15R1.241 O=C(O)c1ccccc1SCC#CCO 62a_200000047223_100000734275 [0,2,0,0,0,0|1,0,1]=4 3483 B15R1.241 O=C(O)c1ccccc1SCC#CCO 62a_202125556159_200000047223 [0,2,0,0,0,0|1,0,1]=4 3484 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_100000729493_100000734275 [0,2,0,0,0,0|1,0,0]=3 3485 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_202125556159_100000729493 [0,2,0,0,0,0|1,0,0]=3 3486 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_100000210776_100000734275 [0,2,0,0,0,0|1,0,0]=3 3487 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_202125556159_100000210776 [0,2,0,0,0,0|1,0,0]=3 3488 B15R1.241 O=CCCCSc1ccccc1C(=O)O 62a_200011292268_100000734275 [0,2,0,0,0,0|1,0,0]=3 3489 B15R1.241 O=CCCCSc1ccccc1C(=O)O 62a_202125556159_200011292268 [0,2,0,0,0,0|1,0,0]=3 3490 B15R1.1108 C#CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_200000035995 [0,2,0,0,0,0|2,0,0]=4 3491 B15R1.1108 C=CC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100011215867 [0,2,0,0,0,0|2,0,0]=4 3492 B15R1.1108 C=CC(O)CSc1ccccc1C(=O)O 62a_100000730141_100000734275 [0,2,0,0,0,0|1,0,1]=4 3493 B15R1.1108 C=CC(O)CSc1ccccc1C(=O)O 62a_202125556159_100000730141 [0,2,0,0,0,0|1,0,1]=4 3494 B15R1.1108 CC(=O)c1ccccc1SCC(O)CO 62a_100000751169_100011219619 [0,2,0,0,0,0|2,0,0]=4 3495 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](C)CO 62a_100000751169_100000059175 [0,2,0,0,0,0|2,0,0]=4 3496 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](O)CF 62a_100000751169_100015614560 [0,2,0,0,0,0|2,0,0]=4 3497 B15R1.1108 CC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000751169_100009815848 [0,2,0,0,0,0|2,0,0]=4 3498 B15R1.1108 CC(C#N)NCc1ccccc1C(=O)O 269956a_100015183376_100000184139 [0,2,0,0,0,0|2,0,0]=4 3499 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000747405 [0,2,0,0,0,0|2,0,0]=4 3500 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)N 62a_100000162227_100000747405 [0,2,0,0,0,0|2,0,0]=4 3501 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)N 62a_100000747405_100000162227 [0,2,0,0,0,0|2,0,0]=4 3502 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_100000747405_100000734275 [0,2,0,0,0,0|1,0,0]=3 3503 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747405 [0,2,0,0,0,0|1,0,0]=3 3504 B15R1.1108 CCC(C)CSc1ccccc1C(=O)C 62a_100000751169_100000748023 [0,2,0,0,0,0|2,0,0]=4 3505 B15R1.1108 CCC(C)CSc1ccccc1C(=O)N 62a_100000162227_100000748023 [0,2,0,0,0,0|2,0,0]=4 3506 B15R1.1108 CCC(C)CSc1ccccc1C(=O)N 62a_100000748023_100000162227 [0,2,0,0,0,0|2,0,0]=4 3507 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_100000748023_100000734275 [0,2,0,0,0,0|1,0,0]=3 3508 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000748023 [0,2,0,0,0,0|1,0,0]=3 3509 B15R1.1108 CCC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000758301 [0,2,0,0,0,0|2,0,0]=4 3510 B15R1.1108 CCC(O)CSc1ccccc1C(=O)C 62a_100000751169_100011218378 [0,2,0,0,0,0|2,0,0]=4 3511 B15R1.1108 CCC(O)CSc1ccccc1C(=O)N 62a_100000162227_100011218378 [0,2,0,0,0,0|2,0,0]=4 3512 B15R1.1108 CCC(O)CSc1ccccc1C(=O)N 62a_100011218378_100000162227 [0,2,0,0,0,0|2,0,0]=4 3513 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_100011218378_100000734275 [0,2,0,0,0,0|1,0,0]=3 3514 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218378 [0,2,0,0,0,0|1,0,0]=3 3515 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)C 62a_100000751169_100009816398 [0,2,0,0,0,0|2,0,0]=4 3516 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)N 62a_100000162227_100009816398 [0,2,0,0,0,0|2,0,0]=4 3517 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)N 62a_100009816398_100000162227 [0,2,0,0,0,0|2,0,0]=4 3518 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_100009816398_100000734275 [0,2,0,0,0,0|1,0,0]=3 3519 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_202125556159_100009816398 [0,2,0,0,0,0|1,0,0]=3 3520 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)O 62a_100000183359_100000734275 [0,2,0,0,0,0|1,0,1]=4 3521 B15R1.1108 CNC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000183359 [0,2,0,0,0,0|1,0,1]=4 3522 B15R1.1108 COC(=O)CSc1ccccc1C(=O)O 62a_100000747449_100000734275 [0,2,0,0,0,0|1,0,1]=4 3523 B15R1.1108 COC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747449 [0,2,0,0,0,0|1,0,1]=4 3524 B15R1.1108 COC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100009879195 [0,2,0,0,0,0|2,0,0]=4 3525 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)N 62a_100000059175_100000162227 [0,2,0,0,0,0|2,0,0]=4 3526 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)N 62a_100000162227_100000059175 [0,2,0,0,0,0|2,0,0]=4 3527 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)O 62a_100000059175_100000734275 [0,2,0,0,0,0|1,0,0]=3 3528 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)O 62a_202125556159_100000059175 [0,2,0,0,0,0|1,0,0]=3 3529 B15R1.1108 C[C@H](CO)NCc1ccccc1C(=O)O 269956a_100015183376_100016084084 [0,2,0,0,0,0|2,0,0]=4 3530 B15R1.1108 NC(=O)c1ccccc1SCC(O)CO 62a_100000162227_100011219619 [0,2,0,0,0,0|2,0,0]=4 3531 B15R1.1108 NC(=O)c1ccccc1SCC(O)CO 62a_100011219619_100000162227 [0,2,0,0,0,0|2,0,0]=4 3532 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CF 62a_100000162227_100015614560 [0,2,0,0,0,0|2,0,0]=4 3533 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000162227 [0,2,0,0,0,0|2,0,0]=4 3534 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CO 62a_100000162227_100009815848 [0,2,0,0,0,0|2,0,0]=4 3535 B15R1.1108 NC(=O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000162227 [0,2,0,0,0,0|2,0,0]=4 3536 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_100011219619_100000734275 [0,2,0,0,0,0|1,0,0]=3 3537 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_202125556159_100011219619 [0,2,0,0,0,0|1,0,0]=3 3538 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000734275 [0,2,0,0,0,0|1,0,0]=3 3539 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CF 62a_202125556159_100015614560 [0,2,0,0,0,0|1,0,0]=3 3540 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000734275 [0,2,0,0,0,0|1,0,0]=3 3541 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_202125556159_100009815848 [0,2,0,0,0,0|1,0,0]=3 3542 B15R1.1274 CC(=O)c1ccccc1SC(C)CCO 62a_100000751169_100009893172 [0,2,0,0,0,0|2,0,0]=4 3543 B15R1.1274 CC(CC#N)Sc1ccccc1C(=O)O 62a_100009813641_100000734275 [0,2,0,0,0,0|1,0,1]=4 3544 B15R1.1274 CC(CC#N)Sc1ccccc1C(=O)O 62a_202125556159_100009813641 [0,2,0,0,0,0|1,0,1]=4 3545 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)N 62a_100000162227_100009893172 [0,2,0,0,0,0|2,0,0]=4 3546 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)N 62a_100009893172_100000162227 [0,2,0,0,0,0|2,0,0]=4 3547 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_100009893172_100000734275 [0,2,0,0,0,0|1,0,0]=3 3548 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_202125556159_100009893172 [0,2,0,0,0,0|1,0,0]=3 3549 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000766640 [0,2,0,0,0,0|2,0,0]=4 3550 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000766640 [0,2,0,0,0,0|2,0,0]=4 3551 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000766640_100000162227 [0,2,0,0,0,0|2,0,0]=4 3552 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_100000766640_100000734275 [0,2,0,0,0,0|1,0,0]=3 3553 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000766640 [0,2,0,0,0,0|1,0,0]=3 3554 B15R1.1274 COCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000765312 [0,2,0,0,0,0|2,0,0]=4 3555 B15R1.1274 COCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000765312 [0,2,0,0,0,0|2,0,0]=4 3556 B15R1.1274 COCC(C)Sc1ccccc1C(=O)N 62a_100000765312_100000162227 [0,2,0,0,0,0|2,0,0]=4 3557 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_100000765312_100000734275 [0,2,0,0,0,0|1,0,0]=3 3558 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000765312 [0,2,0,0,0,0|1,0,0]=3 3559 B15R1.3990 CC(=O)c1cccc(c1SCCCF)F 62a_100011934791_100012362612 [0,2,0,0,0,0|2,0,0]=4 3560 B15R1.3990 CC(=O)c1cccc(c1SCCCF)F 62a_100012362612_100011934791 [0,2,0,0,0,0|2,0,0]=4 3561 B15R1.3990 CC(=O)c1cccc(c1SCCCO)F 62a_100011215043_100012362612 [0,2,0,0,0,0|2,0,0]=4 3562 B15R1.3990 CC(=O)c1cccc(c1SCCCO)F 62a_100012362612_100011215043 [0,2,0,0,0,0|2,0,0]=4 3563 B15R1.3990 CCCCSc1c(cccc1C(=O)C)F 62a_100000210211_100012362612 [0,2,0,0,0,0|2,0,0]=4 3564 B15R1.3990 CCCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210210 [0,2,0,0,0,0|2,0,0]=4 3565 B15R1.3990 CCCCSc1c(cccc1C(=O)N)C 62a_100000210211_200011409216 [0,2,0,0,0,0|2,0,0]=4 3566 B15R1.3990 CCCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210210 [0,2,0,0,0,0|2,0,0]=4 3567 B15R1.3990 CCCCSc1c(cccc1C(=O)N)F 62a_100000210211_200012351544 [0,2,0,0,0,0|2,0,0]=4 3568 B15R1.3990 CCCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210210 [0,2,0,0,0,0|2,0,0]=4 3569 B15R1.3990 CCOCSc1c(cccc1C(=O)C)F 62a_100000739092_100012362612 [0,2,0,0,0,0|2,0,0]=4 3570 B15R1.3990 CCOCSc1c(cccc1C(=O)C)F 62a_100012362612_100000739092 [0,2,0,0,0,0|2,0,0]=4 3571 B15R1.3990 CCOCSc1c(cccc1C(=O)N)C 62a_100000739092_200011409216 [0,2,0,0,0,0|2,0,0]=4 3572 B15R1.3990 CCOCSc1c(cccc1C(=O)N)C 62a_200011409216_100000739092 [0,2,0,0,0,0|2,0,0]=4 3573 B15R1.3990 CCOCSc1c(cccc1C(=O)N)F 62a_100000739092_200012351544 [0,2,0,0,0,0|2,0,0]=4 3574 B15R1.3990 CCOCSc1c(cccc1C(=O)N)F 62a_200012351544_100000739092 [0,2,0,0,0,0|2,0,0]=4 3575 B15R1.3990 COCCSc1c(cccc1C(=O)C)F 62a_100000233755_100012362612 [0,2,0,0,0,0|2,0,0]=4 3576 B15R1.3990 COCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000233755 [0,2,0,0,0,0|2,0,0]=4 3577 B15R1.3990 COCCSc1c(cccc1C(=O)N)C 62a_100000233755_200011409216 [0,2,0,0,0,0|2,0,0]=4 3578 B15R1.3990 COCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000233755 [0,2,0,0,0,0|2,0,0]=4 3579 B15R1.3990 COCCSc1c(cccc1C(=O)N)F 62a_100000233755_200012351544 [0,2,0,0,0,0|2,0,0]=4 3580 B15R1.3990 COCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000233755 [0,2,0,0,0,0|2,0,0]=4 3581 B15R1.3990 CSCCSc1c(cccc1C(=O)C)F 62a_100000212216_100012362612 [0,2,0,0,0,0|2,0,0]=4 3582 B15R1.3990 CSCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000751147 [0,2,0,0,0,0|2,0,0]=4 3583 B15R1.3990 CSCCSc1c(cccc1C(=O)N)C 62a_100000212216_200011409216 [0,2,0,0,0,0|2,0,0]=4 3584 B15R1.3990 CSCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000751147 [0,2,0,0,0,0|2,0,0]=4 3585 B15R1.3990 CSCCSc1c(cccc1C(=O)N)F 62a_100000212216_200012351544 [0,2,0,0,0,0|2,0,0]=4 3586 B15R1.3990 CSCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000751147 [0,2,0,0,0,0|2,0,0]=4 3587 B15R1.3990 Cc1cccc(c1SCCCF)C(=O)N 62a_100011934791_200011409216 [0,2,0,0,0,0|2,0,0]=4 3588 B15R1.3990 Cc1cccc(c1SCCCF)C(=O)N 62a_200011409216_100011934791 [0,2,0,0,0,0|2,0,0]=4 3589 B15R1.3990 Cc1cccc(c1SCCCO)C(=O)N 62a_100011215043_200011409216 [0,2,0,0,0,0|2,0,0]=4 3590 B15R1.3990 Cc1cccc(c1SCCCO)C(=O)N 62a_200011409216_100011215043 [0,2,0,0,0,0|2,0,0]=4 3591 B15R1.3990 NC(=O)c1cccc(c1SCCCF)F 62a_100011934791_200012351544 [0,2,0,0,0,0|2,0,0]=4 3592 B15R1.3990 NC(=O)c1cccc(c1SCCCF)F 62a_200012351544_100011934791 [0,2,0,0,0,0|2,0,0]=4 3593 B15R1.3990 NC(=O)c1cccc(c1SCCCO)F 62a_100011215043_200012351544 [0,2,0,0,0,0|2,0,0]=4 3594 B15R1.3990 NC(=O)c1cccc(c1SCCCO)F 62a_200012351544_100011215043 [0,2,0,0,0,0|2,0,0]=4 3595 B15R1.4455 CC(=O)c1c(cccc1SCCCF)F 62a_100012351873_100011934791 [0,2,0,0,0,0|2,0,0]=4 3596 B15R1.4455 CC(=O)c1c(cccc1SCCCO)F 62a_100012351873_100011215043 [0,2,0,0,0,0|2,0,0]=4 3597 B15R1.4455 CCCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210210 [0,2,0,0,0,0|2,0,0]=4 3598 B15R1.4455 CCCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210210 [0,2,0,0,0,0|2,0,0]=4 3599 B15R1.4455 CCCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210210 [0,2,0,0,0,0|2,0,0]=4 3600 B15R1.4455 CCOCSc1cccc(c1C(=O)C)F 62a_100012351873_100000739092 [0,2,0,0,0,0|2,0,0]=4 3601 B15R1.4455 CCOCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000739092 [0,2,0,0,0,0|2,0,0]=4 3602 B15R1.4455 CCOCSc1cccc(c1C(=O)N)F 62a_100011219063_100000739092 [0,2,0,0,0,0|2,0,0]=4 3603 B15R1.4455 COCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000233755 [0,2,0,0,0,0|2,0,0]=4 3604 B15R1.4455 COCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000233755 [0,2,0,0,0,0|2,0,0]=4 3605 B15R1.4455 COCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000233755 [0,2,0,0,0,0|2,0,0]=4 3606 B15R1.4455 CSCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000751147 [0,2,0,0,0,0|2,0,0]=4 3607 B15R1.4455 CSCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000751147 [0,2,0,0,0,0|2,0,0]=4 3608 B15R1.4455 CSCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000751147 [0,2,0,0,0,0|2,0,0]=4 3609 B15R1.4455 NC(=O)c1c(cccc1SCCCF)Cl 62a_100010147686_100011934791 [0,2,0,0,0,0|2,0,0]=4 3610 B15R1.4455 NC(=O)c1c(cccc1SCCCF)F 62a_100011219063_100011934791 [0,2,0,0,0,0|2,0,0]=4 3611 B15R1.4455 NC(=O)c1c(cccc1SCCCO)Cl 62a_100010147686_100011215043 [0,2,0,0,0,0|2,0,0]=4 3612 B15R1.4455 NC(=O)c1c(cccc1SCCCO)F 62a_100011219063_100011215043 [0,2,0,0,0,0|2,0,0]=4 3613 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)C 62a_100000751169_100000730704 [0,2,0,0,0,0|2,0,0]=4 3614 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)N 62a_100000162227_100000730704 [0,2,0,0,0,0|2,0,0]=4 3615 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)N 62a_100000730704_100000162227 [0,2,0,0,0,0|2,0,0]=4 3616 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_100000730704_100000734275 [0,2,0,0,0,0|1,0,0]=3 3617 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000730704 [0,2,0,0,0,0|1,0,0]=3 3618 B15R1.8882 C=C(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000748629 [0,2,0,0,0,0|2,0,0]=4 3619 B15R1.8882 CC(=CCSc1ccccc1C(=O)O)C 62a_100000761012_100000734275 [0,2,0,0,0,0|1,0,1]=4 3620 B15R1.8882 CC(=CCSc1ccccc1C(=O)O)C 62a_202125556159_100000761012 [0,2,0,0,0,0|1,0,1]=4 3621 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)C 62a_100000751169_100000053229 [0,2,0,0,0,0|2,0,0]=4 3622 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000053229_100000162227 [0,2,0,0,0,0|2,0,0]=4 3623 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)N 62a_100000162227_100000053229 [0,2,0,0,0,0|2,0,0]=4 3624 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_100000053229_100000734275 [0,2,0,0,0,0|1,0,0]=3 3625 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000053229 [0,2,0,0,0,0|1,0,0]=3 3626 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_100000076356_100000734275 [0,2,0,0,0,0|1,0,1]=4 3627 B15R1.8882 CC(=O)OCSc1ccccc1C(=O)O 62a_202125556159_100000076356 [0,2,0,0,0,0|1,0,1]=4 3628 B15R1.8882 CC(=O)c1ccccc1SCCC(C)C 62a_100000751169_100000210312 [0,2,0,0,0,0|2,0,0]=4 3629 B15R1.8882 CC(=O)c1ccccc1SCCC(C)O 62a_100000751169_100012276601 [0,2,0,0,0,0|2,0,0]=4 3630 B15R1.8882 CC(=O)c1ccccc1SCCN(C)C 62a_100000751169_100000755713 [0,2,0,0,0,0|2,0,0]=4 3631 B15R1.8882 CC(=O)c1ccccc1SCOC(C)C 62a_100000751169_100000709892 [0,2,0,0,0,0|2,0,0]=4 3632 B15R1.8882 CC(C)CCSc1ccccc1C(=O)N 62a_100000162227_100000210312 [0,2,0,0,0,0|2,0,0]=4 3633 B15R1.8882 CC(C)CCSc1ccccc1C(=O)N 62a_100000210312_100000162227 [0,2,0,0,0,0|2,0,0]=4 3634 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_100000210312_100000734275 [0,2,0,0,0,0|1,0,0]=3 3635 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000210312 [0,2,0,0,0,0|1,0,0]=3 3636 B15R1.8882 CC(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000210760 [0,2,0,0,0,0|2,0,0]=4 3637 B15R1.8882 CC(C)OCSc1ccccc1C(=O)N 62a_100000162227_100000709892 [0,2,0,0,0,0|2,0,0]=4 3638 B15R1.8882 CC(C)OCSc1ccccc1C(=O)N 62a_100000709892_100000162227 [0,2,0,0,0,0|2,0,0]=4 3639 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_100000709892_100000734275 [0,2,0,0,0,0|1,0,0]=3 3640 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_202125556159_100000709892 [0,2,0,0,0,0|1,0,0]=3 3641 B15R1.8882 CC(O)CCSc1ccccc1C(=O)N 62a_100000162227_100012276601 [0,2,0,0,0,0|2,0,0]=4 3642 B15R1.8882 CC(O)CCSc1ccccc1C(=O)N 62a_100012276601_100000162227 [0,2,0,0,0,0|2,0,0]=4 3643 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_100012276601_100000734275 [0,2,0,0,0,0|1,0,0]=3 3644 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_202125556159_100012276601 [0,2,0,0,0,0|1,0,0]=3 3645 B15R1.8882 CC(O)CNCc1ccccc1C(=O)O 269956a_100015183376_100011218427 [0,2,0,0,0,0|2,0,0]=4 3646 B15R1.8882 CN(C)CCSc1ccccc1C(=O)N 62a_100000162227_100000755713 [0,2,0,0,0,0|2,0,0]=4 3647 B15R1.8882 CN(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000755713 [0,2,0,0,0,0|1,0,0]=3 3648 B15R1.8882 C[C@@H](O)CNCc1ccccc1C(=O)O 269956a_100015183376_100009817552 [0,2,0,0,0,0|2,0,0]=4 3649 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_100000744528_100000734275 [0,2,0,0,0,0|1,0,1]=4 3650 B15R1.8882 NC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000744528 [0,2,0,0,0,0|1,0,1]=4 3651 B15R1.8882 O=C(O)c1ccccc1CNCC(F)F 269956a_100015183376_100011934356 [0,2,0,0,0,0|2,0,0]=4 3652 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)C 62a_100000751169_100000210505 [0,2,0,0,0,0|2,0,0]=4 3653 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)N 62a_100000162227_100000210505 [0,2,0,0,0,0|2,0,0]=4 3654 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)N 62a_100000210505_100000162227 [0,2,0,0,0,0|2,0,0]=4 3655 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)O 62a_100000210505_100000734275 [0,2,0,0,0,0|1,0,0]=3 3656 B15R1.5720 CCC(CC)Sc1ccccc1C(=O)O 62a_202125556159_100000210505 [0,2,0,0,0,0|1,0,0]=3 3657 B15R1.7707 CCC(C)(C)Sc1ccccc1C(=O)C 62a_100000751169_100000032637 [0,2,0,0,0,0|2,0,0]=4 3658 B15R1.7707 CCC(C)(C)Sc1ccccc1C(=O)N 62a_100000032637_100000162227 [0,2,0,0,0,0|2,0,0]=4 3659 B15R1.7707 CCC(C)(C)Sc1ccccc1C(=O)N 62a_100000162227_100000032637 [0,2,0,0,0,0|2,0,0]=4 3660 B15R1.7707 CCC(C)(C)Sc1ccccc1C(=O)O 62a_100000032637_100000734275 [0,2,0,0,0,0|1,0,0]=3 3661 B15R1.7707 CCC(C)(C)Sc1ccccc1C(=O)O 62a_202125556159_100000032637 [0,2,0,0,0,0|1,0,0]=3 3662 B15R1.7707 O=C(O)c1ccccc1SC(F)(F)CO 62a_100011217949_100000734275 [0,2,0,0,0,0|2,0,0]=4 3663 B15R1.7707 O=C(O)c1ccccc1SC(F)(F)CO 62a_202125556159_100011217949 [0,2,0,0,0,0|2,0,0]=4 3664 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)O 62a_100009814033_100000734275 [0,2,0,0,0,0|1,0,1]=4 3665 B15R1.8875 CC(=O)C(C)Sc1ccccc1C(=O)O 62a_202125556159_100009814033 [0,2,0,0,0,0|1,0,1]=4 3666 B15R1.13377 CCC(C)Sc1cccc(c1C(=O)C)F 62a_100012351873_100000758301 [0,2,0,0,0,0|2,0,0]=4 3667 B15R1.13377 CCC(C)Sc1cccc(c1C(=O)N)Cl 62a_100010147686_100000758301 [0,2,0,0,0,0|2,0,0]=4 3668 B15R1.13377 CCC(C)Sc1cccc(c1C(=O)N)F 62a_100011219063_100000758301 [0,2,0,0,0,0|2,0,0]=4 3669 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)C)F 62a_100000758301_100012362612 [0,2,0,0,0,0|2,0,0]=4 3670 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)C)F 62a_100012362612_100000758301 [0,2,0,0,0,0|2,0,0]=4 3671 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)N)C 62a_100000758301_200011409216 [0,2,0,0,0,0|2,0,0]=4 3672 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)N)C 62a_200011409216_100000758301 [0,2,0,0,0,0|2,0,0]=4 3673 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)N)F 62a_100000758301_200012351544 [0,2,0,0,0,0|2,0,0]=4 3674 B15R1.40363 CCC(C)Sc1c(cccc1C(=O)N)F 62a_200012351544_100000758301 [0,2,0,0,0,0|2,0,0]=4 3675 B15R1.8265 CC(=O)c1c(cccc1SCC(C)C)F 62a_100012351873_100000210760 [0,2,0,0,0,0|2,0,0]=4 3676 B15R1.8265 CC(=O)c1c(cccc1SCC(C)O)F 62a_100012351873_100011218427 [0,2,0,0,0,0|2,0,0]=4 3677 B15R1.8265 CC(=O)c1c(cccc1SC[C@@H](C)O)F 62a_100012351873_100009817552 [0,2,0,0,0,0|2,0,0]=4 3678 B15R1.8265 CC(C)CSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210760 [0,2,0,0,0,0|2,0,0]=4 3679 B15R1.8265 CC(C)CSc1cccc(c1C(=O)N)F 62a_100011219063_100000210760 [0,2,0,0,0,0|2,0,0]=4 3680 B15R1.8265 CC(O)CSc1cccc(c1C(=O)N)Cl 62a_100010147686_100011218427 [0,2,0,0,0,0|2,0,0]=4 3681 B15R1.8265 CC(O)CSc1cccc(c1C(=O)N)F 62a_100011219063_100011218427 [0,2,0,0,0,0|2,0,0]=4 3682 B15R1.8265 C[C@@H](O)CSc1cccc(c1C(=O)N)Cl 62a_100010147686_100009817552 [0,2,0,0,0,0|2,0,0]=4 3683 B15R1.8265 C[C@@H](O)CSc1cccc(c1C(=O)N)F 62a_100011219063_100009817552 [0,2,0,0,0,0|2,0,0]=4 3684 B15R1.11245 CCCSc1cccc(c1C(=O)C)OC 62a_100010725609_100000210303 [0,2,0,0,0,0|2,0,0]=4 3685 B15R1.11245 CCCSc1cccc(c1C(=O)N)OC 62a_200010146778_100000210303 [0,2,0,0,0,0|2,0,0]=4 3686 B15R1.508 CC(=O)c1ccccc1SCC(C)(C)C 62a_100000751169_100011219605 [0,2,0,0,0,0|2,0,0]=4 3687 B15R1.508 CC(=O)c1ccccc1SCC(C)(C)F 62a_100000751169_100011997219 [0,2,0,0,0,0|2,0,0]=4 3688 B15R1.508 CC(=O)c1ccccc1SCC(C)(C)O 62a_100000751169_100000764493 [0,2,0,0,0,0|2,0,0]=4 3689 B15R1.508 CC(C)(C)CSc1ccccc1C(=O)N 62a_100000162227_100011219605 [0,2,0,0,0,0|2,0,0]=4 3690 B15R1.508 CC(C)(C)CSc1ccccc1C(=O)N 62a_100011219605_100000162227 [0,2,0,0,0,0|2,0,0]=4 3691 B15R1.508 CC(C)(C)CSc1ccccc1C(=O)O 62a_100011219605_100000734275 [0,2,0,0,0,0|1,0,0]=3 3692 B15R1.508 CC(C)(C)CSc1ccccc1C(=O)O 62a_202125556159_100011219605 [0,2,0,0,0,0|1,0,0]=3 3693 B15R1.508 CC(C)(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000211941 [0,2,0,0,0,0|2,0,0]=4 3694 B15R1.508 CC(C)(F)CSc1ccccc1C(=O)N 62a_100000162227_100011997219 [0,2,0,0,0,0|2,0,0]=4 3695 B15R1.508 CC(C)(F)CSc1ccccc1C(=O)N 62a_100011997219_100000162227 [0,2,0,0,0,0|2,0,0]=4 3696 B15R1.508 CC(C)(F)CSc1ccccc1C(=O)O 62a_100011997219_100000734275 [0,2,0,0,0,0|1,0,0]=3 3697 B15R1.508 CC(C)(F)CSc1ccccc1C(=O)O 62a_202125556159_100011997219 [0,2,0,0,0,0|1,0,0]=3 3698 B15R1.508 CC(C)(O)CSc1ccccc1C(=O)N 62a_100000162227_100000764493 [0,2,0,0,0,0|2,0,0]=4 3699 B15R1.508 CC(C)(O)CSc1ccccc1C(=O)N 62a_100000764493_100000162227 [0,2,0,0,0,0|2,0,0]=4 3700 B15R1.508 CC(C)(O)CSc1ccccc1C(=O)O 62a_100000764493_100000734275 [0,2,0,0,0,0|1,0,0]=3 3701 B15R1.508 CC(C)(O)CSc1ccccc1C(=O)O 62a_202125556159_100000764493 [0,2,0,0,0,0|1,0,0]=3 3702 B15R1.508 C[N+](C)(C)CSc1ccccc1C(=O)O 62a_200000036245_100000734275 [0,2,0,0,0,0|2,0,0]=4 3703 B15R1.508 C[N+](C)(C)CSc1ccccc1C(=O)O 62a_202125556159_200000036245 [0,2,0,0,0,0|2,0,0]=4 3704 B15R1.508 C[Si](C)(C)CSc1ccccc1C(=O)O 62a_100000037933_100000734275 [0,2,0,0,0,0|1,1,0]=4 3705 B15R1.508 C[Si](C)(C)CSc1ccccc1C(=O)O 62a_202125556159_100000037933 [0,2,0,0,0,0|1,1,0]=4 3706 B15R1.508 O=C(O)c1ccccc1SCC(F)(F)F 62a_100000763148_100000734275 [0,2,0,0,0,0|2,0,0]=4 3707 B15R1.508 O=C(O)c1ccccc1SCC(F)(F)F 62a_202125556159_100000763148 [0,2,0,0,0,0|2,0,0]=4 3708 B15R1.6620 CC(=O)c1cccc(c1SCC(C)C)F 62a_100000210624_100012362612 [0,2,0,0,0,0|2,0,0]=4 3709 B15R1.6620 CC(=O)c1cccc(c1SCC(C)C)F 62a_100012362612_100000210760 [0,2,0,0,0,0|2,0,0]=4 3710 B15R1.6620 CC(=O)c1cccc(c1SCC(C)O)F 62a_100011218427_100012362612 [0,2,0,0,0,0|2,0,0]=4 3711 B15R1.6620 CC(=O)c1cccc(c1SCC(C)O)F 62a_100012362612_100011218427 [0,2,0,0,0,0|2,0,0]=4 3712 B15R1.6620 CC(=O)c1cccc(c1SC[C@@H](C)O)F 62a_100009817552_100012362612 [0,2,0,0,0,0|2,0,0]=4 3713 B15R1.6620 CC(=O)c1cccc(c1SC[C@@H](C)O)F 62a_100012362612_100009817552 [0,2,0,0,0,0|2,0,0]=4 3714 B15R1.6620 CC(C)CSc1c(cccc1C(=O)N)F 62a_100000210624_200012351544 [0,2,0,0,0,0|2,0,0]=4 3715 B15R1.6620 CC(C)CSc1c(cccc1C(=O)N)F 62a_200012351544_100000210760 [0,2,0,0,0,0|2,0,0]=4 3716 B15R1.6620 CC(O)CSc1c(cccc1C(=O)N)F 62a_100011218427_200012351544 [0,2,0,0,0,0|2,0,0]=4 3717 B15R1.6620 CC(O)CSc1c(cccc1C(=O)N)F 62a_200012351544_100011218427 [0,2,0,0,0,0|2,0,0]=4 3718 B15R1.6620 C[C@@H](O)CSc1c(cccc1C(=O)N)F 62a_100009817552_200012351544 [0,2,0,0,0,0|2,0,0]=4 3719 B15R1.6620 C[C@@H](O)CSc1c(cccc1C(=O)N)F 62a_200012351544_100009817552 [0,2,0,0,0,0|2,0,0]=4 3720 B15R1.6620 Cc1cccc(c1SCC(C)C)C(=O)N 62a_100000210624_200011409216 [0,2,0,0,0,0|2,0,0]=4 3721 B15R1.6620 Cc1cccc(c1SCC(C)C)C(=O)N 62a_200011409216_100000210760 [0,2,0,0,0,0|2,0,0]=4 3722 B15R1.6620 Cc1cccc(c1SCC(C)O)C(=O)N 62a_100011218427_200011409216 [0,2,0,0,0,0|2,0,0]=4 3723 B15R1.6620 Cc1cccc(c1SCC(C)O)C(=O)N 62a_200011409216_100011218427 [0,2,0,0,0,0|2,0,0]=4 3724 B15R1.6620 Cc1cccc(c1SC[C@@H](C)O)C(=O)N 62a_100009817552_200011409216 [0,2,0,0,0,0|2,0,0]=4 3725 B15R1.6620 Cc1cccc(c1SC[C@@H](C)O)C(=O)N 62a_200011409216_100009817552 [0,2,0,0,0,0|2,0,0]=4 3726 B13R2.621 C=Cc1ccccc1SC2CC2 62a_100011218376_100000211595 [1,0,0,1,0,0|2,0,0]=4 3727 B13R2.621 O=Cc1ccccc1SC2CC2 62a_100000210073_100000211595 [1,0,0,1,0,0|1,0,0]=3 3728 B13R2.621 O=Cc1cccnc1SC2CC2 62a_100009816751_100000211595 [1,0,0,1,0,0|2,0,0]=4 3729 B13R2.621 O=Cc1ccncc1SC2CC2 62a_100011934409_100000211595 [1,0,0,1,0,0|2,0,0]=4 3730 B13R2.621 O=Cc1cnccc1SC2CC2 62a_100000050567_100000211595 [1,0,0,1,0,0|2,0,0]=4 3731 B13R2.621 O=Cc1ncccc1SC2CC2 62a_100011934733_100000211595 [1,0,0,1,0,0|2,0,0]=4 3732 B13R2.621 OCc1ccccc1SC2CC2 62a_100000187465_100000211595 [1,0,0,1,0,0|1,0,1]=4 3733 B13R2.2931 CCn1nc(c2c1cccc2)O 271570a_203496583355_200010288290 [1,0,0,1,0,0|2,0,0]=4 3734 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [1,0,0,1,0,0|2,0,0]=4 3735 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [1,0,0,1,0,0|2,0,0]=4 3736 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [1,0,0,1,0,0|2,0,0]=4 3737 B13R2.5514 CC(=O)c1ccccc1C2CC2 1458a_100011688854_200000210301 [1,0,0,1,0,0|2,0,0]=4 3738 B13R2.5514 CC(=O)c1ccccc1C2CC2 271570a_100011220607_100000751169 [1,0,0,1,0,0|2,0,0]=4 3739 B13R2.5514 NC(=O)c1ccccc1C2CC2 271570a_100011220607_100000162227 [1,0,0,1,0,0|2,0,0]=4 3740 B13R2.5514 [13CH3]C(=O)c1ccccc1C2CC2 1458a_100011688854_200025704644 [1,0,0,1,0,0|2,0,0]=4 3741 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [1,0,0,1,0,0|2,0,0]=4 3742 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [1,0,0,1,0,0|1,1,0]=4 3743 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [1,0,0,1,0,0|2,0,0]=4 3744 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [1,0,0,1,0,0|1,1,0]=4 3745 B15R2.1453 CCCSc1cccc2c1CC(=O)C2 62a_100010205903_100000210303 [0,0,0,1,0,1|2,0,0]=4 3746 B15R2.1453 CCCSc1cccc2c1CC(=O)N2 62a_100000210303_100009816812 [0,0,0,1,0,1|2,0,0]=4 3747 B15R2.1453 CCCSc1cccc2c1NC(=O)C2 62a_100000210303_100000767046 [0,0,0,1,0,1|2,0,0]=4 3748 B15R2.1453 CCCSc1cccc2c1nc(o2)C 62a_100000210303_100010883239 [0,0,0,1,0,1|2,0,0]=4 3749 B15R2.19809 CC(=O)Cc1ccccc1SC2CC2 62a_100011350739_100000211595 [0,0,0,1,0,1|2,0,0]=4 3750 B15R2.19809 CC(=O)Oc1ccccc1SC2CC2 62a_100000051690_100000211595 [0,0,0,1,0,1|2,0,0]=4 3751 B15R2.19809 NC(=O)Cc1ccccc1SC2CC2 62a_200009814924_100000211595 [0,0,0,1,0,1|2,0,0]=4 3752 B15R2.65880 CC(=O)c1cc(ccc1SC2CC2)Br 62a_100012349576_100000211595 [0,1,0,1,0,0|2,0,0]=4 3753 B15R2.65880 CC(=O)c1cc(ccc1SC2CC2)C 62a_100012361225_100000211595 [0,1,0,1,0,0|2,0,0]=4 3754 B15R2.65880 CC(=O)c1cc(ccc1SC2CC2)F 62a_100012353695_100000211595 [0,1,0,1,0,0|2,0,0]=4 3755 B15R2.65880 CC(=O)c1cc(ccc1SC2CC2)N 62a_100012349454_100000211595 [0,1,0,1,0,0|2,0,0]=4 3756 B15R2.65880 Cc1ccc(c(c1)C(=O)N)SC2CC2 62a_200012349609_100000211595 [0,1,0,1,0,0|2,0,0]=4 3757 B15R2.65880 NC(=O)c1cc(ccc1SC2CC2)Br 62a_200000162314_100000211595 [0,1,0,1,0,0|2,0,0]=4 3758 B15R2.65880 NC(=O)c1cc(ccc1SC2CC2)F 62a_100000206434_100000211595 [0,1,0,1,0,0|2,0,0]=4 3759 B15R2.65880 NC(=O)c1cc(ccc1SC2CC2)N 62a_100015186447_100000211595 [0,1,0,1,0,0|2,0,0]=4 3760 B15R2.65880 O=C(O)c1cc(ccc1SC2CC2)Br 62a_100011072988_100000211595 [0,1,0,1,0,0|1,0,0]=3 3761 B15R2.7569 CC(=O)c1ccc(cc1SC2CC2)C 62a_100012353930_100000211595 [0,1,0,1,0,0|2,0,0]=4 3762 B15R2.7569 CC(=O)c1ccc(cc1SC2CC2)F 62a_100000686192_100000211595 [0,1,0,1,0,0|2,0,0]=4 3763 B15R2.7569 CC(=O)c1ccc(cc1SC2CC2)O 62a_100012340537_100000211595 [0,1,0,1,0,0|2,0,0]=4 3764 B15R2.7569 NC(=O)c1ccc(cc1SC2CC2)Br 62a_100009815748_100000211595 [0,1,0,1,0,0|2,0,0]=4 3765 B15R2.7569 NC(=O)c1ccc(cc1SC2CC2)F 62a_100000206404_100000211595 [0,1,0,1,0,0|2,0,0]=4 3766 B15R2.1454 CCCCc1cccc2c1C(=O)CO2 271570a_100020621405_100010205902 [0,1,0,1,0,0|2,0,0]=4 3767 B15R2.1454 CCCCc1cccc2c1C(=O)OC2 271570a_100020621405_100010132333 [0,1,0,1,0,0|2,0,0]=4 3768 B15R2.1454 CCCOc1cccc2c1C(=O)CO2 34a_200009856558_100000210303 [0,1,0,1,0,0|1,1,0]=4 3769 B15R2.1454 CCCSc1cccc2c1C(=O)CC2 62a_100000210303_100009816781 [0,1,0,1,0,0|2,0,0]=4 3770 B15R2.1454 CCCSc1cccc2c1C(=O)CC2 62a_100009816781_100000210303 [0,1,0,1,0,0|2,0,0]=4 3771 B15R2.1454 CCCSc1cccc2c1C(=O)CO2 62a_100000210303_100010205902 [0,1,0,1,0,0|1,0,0]=3 3772 B15R2.1454 CCCSc1cccc2c1C(=O)NC2 62a_100000210303_100000724024 [0,1,0,1,0,0|2,0,0]=4 3773 B15R2.1454 CCCSc1cccc2c1C(=O)NC2 62a_100000724024_100000210303 [0,1,0,1,0,0|2,0,0]=4 3774 B15R2.1454 CCCSc1cccc2c1C(=O)OC2 62a_100010132333_100000210303 [0,1,0,1,0,0|1,0,0]=3 3775 B15R2.1454 CCCSc1cccc2c1c(no2)N 62a_100000210303_100012361266 [0,1,0,1,0,0|2,0,0]=4 3776 B15R2.1454 CCCSc1cccc2c1c(no2)N 62a_100012361266_100000210303 [0,1,0,1,0,0|2,0,0]=4 3777 B15R2.1454 COCSc1cccc2c1C(=O)CO2 62a_100000766300_100010205902 [0,1,0,1,0,0|2,0,0]=4 3778 B15R2.1454 COCSc1cccc2c1C(=O)OC2 62a_100010132333_100000766300 [0,1,0,1,0,0|2,0,0]=4 3779 B15R2.1454 CSCSc1cccc2c1C(=O)CO2 62a_100011218213_100010205902 [0,1,0,1,0,0|2,0,0]=4 3780 B15R2.1454 CSCSc1cccc2c1C(=O)OC2 62a_100010132333_100011218213 [0,1,0,1,0,0|2,0,0]=4 3781 B15R2.1454 O=C1COc2c1c(ccc2)SCCF 62a_100011217306_100010205902 [0,1,0,1,0,0|2,0,0]=4 3782 B15R2.1454 O=C1COc2c1c(ccc2)SCCO 62a_100000211926_100010205902 [0,1,0,1,0,0|2,0,0]=4 3783 B15R2.1454 O=C1OCc2c1c(ccc2)SCCF 62a_100010132333_100011217306 [0,1,0,1,0,0|2,0,0]=4 3784 B15R2.1454 O=C1OCc2c1c(ccc2)SCCO 62a_100010132333_100000211926 [0,1,0,1,0,0|2,0,0]=4 3785 B15R2.19335 CNC(=O)c1ccccc1SC2CC2 62a_100000155073_100000211595 [0,1,0,1,0,0|2,0,0]=4 3786 B15R2.19335 COC(=O)c1ccccc1SC2CC2 62a_100000148710_100000211595 [0,1,0,1,0,0|1,0,0]=3 3787 B15R2.19335 COC(=O)c1cccnc1SC2CC2 62a_100011587185_100000211595 [0,1,0,1,0,0|2,0,0]=4 3788 B15R2.19335 COC(=O)c1ccncc1SC2CC2 62a_100010008606_100000211595 [0,1,0,1,0,0|2,0,0]=4 3789 B15R2.19335 COC(=O)c1cnccc1SC2CC2 62a_100020629055_100000211595 [0,1,0,1,0,0|2,0,0]=4 3790 B15R2.19335 COC(=O)c1ncccc1SC2CC2 62a_100011935214_100000211595 [0,1,0,1,0,0|2,0,0]=4 3791 B15R2.19335 NNC(=O)c1ccccc1SC2CC2 62a_100000190081_100000211595 [0,1,0,1,0,0|2,0,0]=4 3792 B15R2.19335 O=C(NO)c1ccccc1OC2CC2 34a_100000188472_100000211595 [0,1,0,1,0,0|1,1,0]=4 3793 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100000210303_100010208147 [0,1,0,1,0,0|2,0,0]=4 3794 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210303 [0,1,0,1,0,0|2,0,0]=4 3795 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [0,1,0,1,0,0|1,0,0]=3 3796 B15R2.1428 COCSC1OC(=O)c2c1cccc2 62a_100000766300_100009813457 [0,1,0,1,0,0|2,0,0]=4 3797 B15R2.1428 CSCSC1OC(=O)c2c1cccc2 62a_100011218213_100009813457 [0,1,0,1,0,0|2,0,0]=4 3798 B15R2.1428 O=C1OC(c2c1cccc2)NCCO 2230a_100016997473_100009813457 [0,1,0,1,0,0|2,0,0]=4 3799 B15R2.1428 O=C1OC(c2c1cccc2)SCCF 62a_100011217306_100009813457 [0,1,0,1,0,0|2,0,0]=4 3800 B15R2.1428 O=C1OC(c2c1cccc2)SCCO 62a_100000211926_100009813457 [0,1,0,1,0,0|2,0,0]=4 3801 B15R2.16319 CC(=O)c1ccccc1SCC2CC2 62a_100000751169_100000742324 [0,1,0,1,0,0|2,0,0]=4 3802 B15R2.16319 CC(=O)c1ccccc1SCC2CO2 62a_100000751169_102125554688 [0,1,0,1,0,0|2,0,0]=4 3803 B15R2.16319 CC(=O)c1ccccc1SCC2CS2 62a_100000751169_100000031435 [0,1,0,1,0,0|2,0,0]=4 3804 B15R2.16319 CC(=O)c1ccccc1SC[C@@H]2CO2 62a_100000751169_100000745022 [0,1,0,1,0,0|2,0,0]=4 3805 B15R2.16319 NC(=O)c1ccccc1SCC2CC2 62a_100000162227_100000742324 [0,1,0,1,0,0|2,0,0]=4 3806 B15R2.16319 NC(=O)c1ccccc1SCC2CC2 62a_100000756562_100000162227 [0,1,0,1,0,0|2,0,0]=4 3807 B15R2.16319 NC(=O)c1ccccc1SCC2CO2 62a_100000162227_102125554688 [0,1,0,1,0,0|2,0,0]=4 3808 B15R2.16319 NC(=O)c1ccccc1SCC2CO2 62a_102125554688_100000162227 [0,1,0,1,0,0|2,0,0]=4 3809 B15R2.16319 NC(=O)c1ccccc1SCC2CS2 62a_100000031435_100000162227 [0,1,0,1,0,0|2,0,0]=4 3810 B15R2.16319 NC(=O)c1ccccc1SCC2CS2 62a_100000162227_100000031435 [0,1,0,1,0,0|2,0,0]=4 3811 B15R2.16319 NC(=O)c1ccccc1SC[C@@H]2CO2 62a_100000162227_100000745022 [0,1,0,1,0,0|2,0,0]=4 3812 B15R2.16319 NC(=O)c1ccccc1SC[C@@H]2CO2 62a_100000745022_100000162227 [0,1,0,1,0,0|2,0,0]=4 3813 B15R2.16319 O=C(O)c1ccccc1CNC2CC2 269956a_100015183376_100000211595 [0,1,0,1,0,0|2,0,0]=4 3814 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_100000756562_100000734275 [0,1,0,1,0,0|1,0,0]=3 3815 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_202125556159_100000742324 [0,1,0,1,0,0|1,0,0]=3 3816 B15R2.16319 O=C(O)c1ccccc1SCC2CO2 62a_102125554688_100000734275 [0,1,0,1,0,0|1,0,0]=3 3817 B15R2.16319 O=C(O)c1ccccc1SCC2CO2 62a_202125556159_102125554688 [0,1,0,1,0,0|1,0,0]=3 3818 B15R2.16319 O=C(O)c1ccccc1SCC2CS2 62a_100000031435_100000734275 [0,1,0,1,0,0|1,0,0]=3 3819 B15R2.16319 O=C(O)c1ccccc1SCC2CS2 62a_202125556159_100000031435 [0,1,0,1,0,0|1,0,0]=3 3820 B15R2.16319 O=C(O)c1ccccc1SC[C@@H]2CO2 62a_100000745022_100000734275 [0,1,0,1,0,0|1,0,0]=3 3821 B15R2.16319 O=C(O)c1ccccc1SC[C@@H]2CO2 62a_202125556159_100000745022 [0,1,0,1,0,0|1,0,0]=3 3822 B15R2.16320 CC(=O)c1ccccc1SC2CCC2 62a_100000751169_100000749161 [0,1,0,1,0,0|2,0,0]=4 3823 B15R2.16320 CC(=O)c1ccccc1SC2COC2 62a_100000751169_100009818527 [0,1,0,1,0,0|2,0,0]=4 3824 B15R2.16320 NC(=O)c1ccccc1SC2CCC2 62a_100000162227_100000749161 [0,1,0,1,0,0|2,0,0]=4 3825 B15R2.16320 NC(=O)c1ccccc1SC2COC2 62a_100000162227_100009818527 [0,1,0,1,0,0|2,0,0]=4 3826 B15R2.16320 O=C(O)c1ccccc1SC2CCC2 62a_202125556159_100000749161 [0,1,0,1,0,0|1,0,0]=3 3827 B15R2.16320 O=C(O)c1ccccc1SC2COC2 62a_202125556159_100009818527 [0,1,0,1,0,0|1,0,0]=3 3828 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225621_100009813457 [0,1,0,1,0,0|2,0,0]=4 3829 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 269982a_100000225621_100009813457 [0,1,0,1,0,0|2,0,0]=4 3830 B15R2.48037 CC(=O)c1c(cccc1SC2CC2)F 62a_100012351873_100000211595 [0,1,0,1,0,0|2,0,0]=4 3831 B15R2.48037 NC(=O)c1c(cccc1SC2CC2)Cl 62a_100010147686_100000211595 [0,1,0,1,0,0|2,0,0]=4 3832 B15R2.48037 NC(=O)c1c(cccc1SC2CC2)F 62a_100011219063_100000211595 [0,1,0,1,0,0|2,0,0]=4 3833 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [0,1,0,1,0,0|2,0,0]=4 3834 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [0,1,0,1,0,0|2,0,0]=4 3835 B15R2.15373 CC(=O)c1cccc(c1SC2CC2)F 62a_100012362612_100000211595 [0,1,0,1,0,0|2,0,0]=4 3836 B15R2.15373 Cc1cccc(c1SC2CC2)C(=O)N 62a_200011409216_100000211595 [0,1,0,1,0,0|2,0,0]=4 3837 B15R2.15373 NC(=O)c1cccc(c1SC2CC2)F 62a_200012351544_100000211595 [0,1,0,1,0,0|2,0,0]=4 3838 B11R1.18 CCCSc1ccoc1C=O 62a_100000210303_100000756499 [1,0,0,0,1,0|2,0,0]=4 3839 B11R1.18 CCCSc1ccoc1C=O 62a_100000756499_100000210303 [1,0,0,0,1,0|2,0,0]=4 3840 B11R1.18 CCCSc1ccsc1C=O 62a_100000210303_100000766043 [1,0,0,0,1,0|2,0,0]=4 3841 B11R1.18 CCCSc1ccsc1C=O 62a_100000766043_100000210303 [1,0,0,0,1,0|2,0,0]=4 3842 B11R1.18 CCCSc1cscc1C=O 62a_100000210303_100000685484 [1,0,0,0,1,0|2,0,0]=4 3843 B11R1.18 CCCSc1cscc1C=O 62a_100000685484_100000210303 [1,0,0,0,1,0|2,0,0]=4 3844 B11R1.18 CCCSc1sccc1C=O 62a_100000210303_100009816921 [1,0,0,0,1,0|2,0,0]=4 3845 B11R1.18 CCCSc1sccc1C=O 62a_100009816921_100000210303 [1,0,0,0,1,0|2,0,0]=4 3846 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [1,0,0,0,1,0|2,0,0]=4 3847 B11R1.193 CCSc1cscc1C(=O)N 62a_100000210202_100009817205 [1,0,0,0,1,0|2,0,0]=4 3848 B11R1.193 CCSc1cscc1C(=O)N 62a_100009817205_100000210202 [1,0,0,0,1,0|2,0,0]=4 3849 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210093_100000210303 [0,0,0,0,1,1|2,0,0]=4 3850 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210303_100000210093 [0,0,0,0,1,1|2,0,0]=4 3851 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000162208_100000210303 [0,0,0,0,1,1|2,0,0]=4 3852 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000210303_100000162208 [0,0,0,0,1,1|2,0,0]=4 3853 B13R1.568 CCCSc1cccc(n1)C(=O)C 62a_100000210303_100009816502 [0,0,0,0,1,1|2,0,0]=4 3854 B13R1.568 CCCSc1cccc(n1)C(=O)C 62a_100009816502_100000210303 [0,0,0,0,1,1|2,0,0]=4 3855 B13R1.568 CCCSc1cccc(n1)C(=O)N 62a_100000210303_100011834053 [0,0,0,0,1,1|2,0,0]=4 3856 B13R1.568 CCCSc1cccc(n1)C(=O)N 62a_100011834053_100000210303 [0,0,0,0,1,1|2,0,0]=4 3857 B13R1.568 CCNCc1cccc(c1)C(=O)O 269956a_100000752609_100000210202 [0,0,0,0,1,1|2,0,0]=4 3858 B15R1.1051 CCCSc1ccccc1CCC(=O)N 62a_100000210303_100009814947 [0,0,0,0,0,2|2,0,0]=4 3859 B15R1.1051 CCCSc1ccccc1CCC(=O)N 62a_100009814947_100000210303 [0,0,0,0,0,2|2,0,0]=4 3860 B15R1.1051 CCCSc1ccccc1CNC(=O)C 62a_100000210303_100011237613 [0,0,0,0,0,2|2,0,0]=4 3861 B15R1.1051 CCCSc1ccccc1CNC(=O)C 62a_100011237613_100000210303 [0,0,0,0,0,2|2,0,0]=4 3862 B15R1.1051 CCCSc1ccccc1NCC(=O)N 34a_100015184514_100000187820 [0,0,0,0,0,2|2,0,0]=4 3863 B15R1.1051 CCCSc1ccccc1NCC(=O)N 7a_100015184514_100000187820 [0,0,0,0,0,2|2,0,0]=4 3864 B15R1.1051 CCCSc1ccccc1NCC(=O)[O-] 34a_100015184514_100020667443 [0,0,0,0,0,2|1,0,1]=4 3865 B15R1.1051 CCCSc1ccccc1OCC(=O)N 62a_200000148491_100000210303 [0,0,0,0,0,2|2,0,0]=4