0 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.39 C=C(C)c1cscc1CC 271570a_100000694244_100011068457 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.39 C=C(C)c1cscc1CO 271570a_100000694244_100000724555 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.39 C=C(C)c1ncnn1CC 271570a_100000694244_100009879425 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,0,0,0|0,0,4]=4 20 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,0,0,0|0,0,4]=4 21 B10R1.39 CCn1ncnc1N(C)C 27a_100102631434_100009879425 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.14 C=Cc1ncnn1CC 271570a_100011290941_100009879425 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [1,0,0,0,0,0|0,0,3]=4 36 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [1,0,0,0,0,0|0,0,3]=4 37 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [1,0,0,0,0,0|0,0,3]=4 38 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,0,0,0,0,0|1,0,2]=4 86 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,0,0,0,0,0|1,0,2]=4 87 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.59 CCC1C=CCN1C(=O)CO 240690a_100000730860_100000210174 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.59 CCC1C=CCN1C(=O)CO 527a_100000730860_100000210174 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.59 CCC1C=CCN1C(=O)NC 2708a_100102657272_100000730860 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.59 CCC1C=CCN1C(=O)NC 273464a_100102657272_100000730860 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.59 CCn1cccc1C(C)NC 269862a_106832991636_100011934003 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.178 C=C(C)c1ccnn1C(C)C 271570a_100000694244_100010264481 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.178 C=C(C)c1ccsc1C(=O)C 271570a_100000694244_100000738688 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.178 C=C(C)c1cncn1C(C)C 271570a_100000694244_100009849687 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.178 C=C(C)c1nccn1C(C)C 271570a_100000694244_100009820211 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.178 C=C(C)c1ncnn1C(C)C 271570a_100000694244_100009989917 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.178 CC(=O)c1sccc1C(F)F 1458a_100009926068_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.178 CC(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210206 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.178 CC(C)n1nccc1N(C)C 27a_100102631434_100010264481 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.178 [13CH3]C(=O)c1sccc1C(F)F 1458a_100009926068_200025704644 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.193 C=C(C)c1ccsc1CNC 271570a_100000694244_100000767120 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.193 C=C(C)c1cscc1CNC 271570a_100000694244_100011935083 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.193 C=C(C)c1sccc1CNC 271570a_100000694244_100009817074 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.193 CC(=O)c1sccc1SCF 62a_100000738688_100015361967 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.193 CC=Cc1ccsc1C(=O)C 271570a_100016259895_100000738688 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.193 CCSc1ccsc1C(=O)C 62a_100000738688_100000210202 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.193 CCSc1cscc1C(=O)N 62a_100000210202_100009817205 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.193 CCSc1cscc1C(=O)N 62a_100009817205_100000210202 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.193 CCSc1ncsc1C(=O)C 62a_100000210202_200010339033 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.193 CCSc1ncsc1C(=O)C 62a_200010339033_100000210202 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.193 COCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000766300 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 269956a_100000057196_100011217306 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,1,0,0,0|1,0,0]=2 141 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,1,0,0,0|1,0,0]=2 142 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,0,1,0,0,0|3,0,0]=4 143 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,1,0,0,0|1,0,2]=4 144 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,1,0,0,0|1,0,2]=4 145 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,1,0,0,0|1,0,2]=4 146 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,1,0,0,0|1,0,2]=4 147 B9R0.2 CCNN=CC=CN(C)C 4a_100000756455_100000735856 [0,0,1,0,0,0|3,0,0]=4 148 B9R0.14 C=CCN(CC)CC(=C)C 2230a_100000211296_100000210623 [0,0,1,0,0,0|1,0,2]=4 149 B9R0.14 C=CCN(CC)CC(=C)C 269982a_100000211296_100000210623 [0,0,1,0,0,0|1,0,2]=4 150 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [0,0,1,0,0,0|1,0,2]=4 151 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [0,0,1,0,0,0|1,0,2]=4 152 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,0,1,0,0,0|1,0,2]=4 153 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,0,1,0,0,0|1,0,2]=4 154 B11R2.216 CCn1ccnc1C2CC2 271570a_100011220607_100011617267 [0,0,0,1,0,0|2,0,1]=4 155 B11R2.216 CCn1nccc1C2CC2 271570a_100011220607_100000728327 [0,0,0,1,0,0|2,0,1]=4 156 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,0,0,0,0,1|1,0,2]=4 157 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,0,0,0,0,1|1,0,2]=4 158 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,0,0,0,0,1|3,0,0]=4 160 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,0,0,0,0,1|3,0,0]=4 162 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,0,0,0,0,1|3,0,0]=4 165 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,0,0,0,0,1|3,0,0]=4 166 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,0,0,0,0,1|3,0,0]=4 171 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,0,0,0,0,1|3,0,0]=4 172 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,0,0,0,0,1|2,0,0]=3 173 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,0,0,0,0,1|2,0,0]=3 176 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,0,0,0,0,1|3,0,0]=4 178 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.53 C=C(C)c1cncnc1CC 271570a_100000694244_100009816992 [0,0,0,0,0,1|3,0,0]=4 181 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,0,0,0,0,1|3,0,0]=4 182 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,0,0,0,0,1|3,0,0]=4 183 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,0,0,0,0,1|3,0,0]=4 185 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,0,0,0,0,1|3,0,0]=4 186 B11R1.53 C=C(C)c1ncncc1CC 271570a_100000694244_200000100055 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,0,0,0,0,1|1,0,2]=4 188 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,0,0,0,0,1|1,0,2]=4 189 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,0,0,0,0,1|1,0,2]=4 190 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,0,0,0,0,1|1,0,2]=4 191 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,0,0,0,0,1|1,0,2]=4 192 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,0,0,0,0,1|1,0,2]=4 193 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,0,0,0,0,1|1,0,2]=4 194 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,0,0,0,0,1|2,0,1]=4 195 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,0,0,0,0,1|2,0,0]=3 196 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,0,0,0,0,1|3,0,0]=4 197 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,0,0,0,0,1|2,0,0]=3 198 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,0,0,0,0,1|2,0,0]=3 199 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,0,0,0,0,1|2,0,0]=3 200 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,0,0,0,0,1|2,0,0]=3 201 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,0,0,0,0,1|2,0,0]=3 202 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,0,0,0,0,1|2,0,0]=3 203 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,0,0,0,0,1|2,0,0]=3 204 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,0,0,0,0,1|2,0,0]=3 205 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,0,0,0,0,1|2,0,0]=3 207 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,0,0,0,0,1|2,0,0]=3 208 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,0,0,0,0,1|2,0,0]=3 209 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,0,0,0,0,1|3,0,0]=4 210 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,0,0,0,0,1|1,0,0]=2 212 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,0,0,0,0,1|1,0,0]=2 213 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,0,0,0,0,1|3,0,0]=4 215 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,0,0,0,0,1|2,0,0]=3 216 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,0,0,0,0,1|2,0,0]=3 218 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,0,0,0,0,1|3,0,0]=4 219 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,0,0,0,0,1|3,0,0]=4 220 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,0,0,0,0,1|2,0,0]=3 221 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,0,0,0,0,1|3,0,0]=4 222 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,0,0,0,0,1|3,0,0]=4 223 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,0,0,0,0,1|2,0,0]=3 224 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,0,0,0,0,1|3,0,0]=4 225 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,0,0,0,0,1|3,0,0]=4 228 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,0,0,0,0,1|3,0,0]=4 229 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,0,0,0,0,1|3,0,0]=4 230 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,0,0,0,0,1|2,0,0]=3 231 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,0,0,0,0,1|3,0,0]=4 232 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,0,0,0,0,1|3,0,0]=4 233 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,0,0,0,0,1|2,0,0]=3 234 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,0,0,0,0,1|2,0,0]=3 235 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,0,0,0,0,1|3,0,0]=4 236 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,0,0,0,0,1|2,0,0]=3 240 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,0,0,0,0,1|2,0,0]=3 242 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,0,0,0,0,1|2,0,0]=3 243 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,0,0,0,0,1|2,0,0]=3 246 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,0,0,0,0,1|3,0,0]=4 248 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,0,0,0,0,1|3,0,0]=4 249 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,0,0,0,0,1|2,0,0]=3 251 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,0,0,0,0,1|2,0,0]=3 254 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,0,0,0,0,1|2,0,0]=3 255 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,0,0,0,0,1|3,0,0]=4 258 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,0,0,0,0,1|2,0,1]=4 260 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,0,0,0,0,1|3,0,0]=4 264 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,0,0,0,0,1|3,0,0]=4 265 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,0,0,0,0,1|3,0,0]=4 267 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,0,0,0,0,1|3,0,0]=4 268 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,0,0,0,0,1|3,0,0]=4 269 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,0,0,0,0,1|3,0,0]=4 270 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,0,0,0,0,1|3,0,0]=4 271 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,0,0,0,0,1|3,0,0]=4 272 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,0,0,0,0,1|3,0,0]=4 273 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,0,0,0,0,1|3,0,0]=4 274 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,0,0,0,0,1|3,0,0]=4 275 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,0,0,0,0,1|3,0,0]=4 276 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,0,0,0,0,1|3,0,0]=4 277 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,0,0,0,0,1|3,0,0]=4 278 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,0,0,0,0,1|3,0,0]=4 279 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,0,0,0,0,1|3,0,0]=4 280 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,0,0,0,0,1|3,0,0]=4 281 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,0,0,0,0,1|3,0,0]=4 282 B11R1.57 CCc1ccsc1C=C(C)C 271570a_100102525489_200009875468 [0,0,0,0,0,1|3,0,0]=4 283 B11R1.57 CCc1cscc1C=C(C)C 271570a_100102525489_100011068457 [0,0,0,0,0,1|3,0,0]=4 284 B11R1.57 CCc1nccn1CC(=O)C 1458a_100000740297_200000210301 [0,0,0,0,0,1|3,0,0]=4 285 B11R1.57 CCc1nccn1CC(=O)[13CH3] 1458a_100000740297_200025704644 [0,0,0,0,0,1|3,0,0]=4 286 B11R1.57 CCn1cccc1CN(C)C 270004a_100102631434_100011302050 [0,0,0,0,0,1|2,0,0]=3 287 B11R1.57 CCn1ccnc1C=C(C)C 271570a_100102525489_100011617267 [0,0,0,0,0,1|2,0,0]=3 288 B11R1.57 CCn1ccnc1CN(C)C 2230a_100011628387_200000210301 [0,0,0,0,0,1|3,0,0]=4 289 B11R1.57 CCn1ccnc1CN(C)C 269982a_100011628387_200000210301 [0,0,0,0,0,1|3,0,0]=4 290 B11R1.57 CCn1ccnc1CN(C)C 270004a_100102631434_100000748659 [0,0,0,0,0,1|3,0,0]=4 291 B11R1.57 CCn1ccnc1CN(C)[13CH3] 2230a_100011628387_200025704644 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.57 CCn1ccnc1CN(C)[13CH3] 269982a_100011628387_200025704644 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.57 CCn1ccnc1SC(C)C 62a_100000210206_100011617267 [0,0,0,0,0,1|2,0,1]=4 294 B11R1.57 CCn1ccnc1SC(C)C 62a_100011617267_100000210206 [0,0,0,0,0,1|2,0,1]=4 295 B11R1.57 CCn1cncc1CC(=O)C 1458a_100000070787_100015185705 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.57 CCn1cncc1CN(C)C 2230a_100102631434_100015185705 [0,0,0,0,0,1|3,0,0]=4 297 B11R1.57 CCn1cncc1CN(C)C 269982a_100102631434_100015185705 [0,0,0,0,0,1|3,0,0]=4 298 B11R1.57 CCn1cncc1CN(C)C 270004a_100102631434_100011361554 [0,0,0,0,0,1|3,0,0]=4 299 B11R1.57 CCn1cnnc1CC(=O)C 1458a_100000070787_100015368369 [0,0,0,0,0,1|2,0,0]=3 300 B11R1.57 CCn1nccc1C=C(C)C 271570a_100102525489_100000728327 [0,0,0,0,0,1|2,0,0]=3 301 B11R1.57 CCn1nccc1CC(=O)C 1458a_100000070787_100025719316 [0,0,0,0,0,1|1,0,0]=2 302 B11R1.57 CCn1nccc1CN(C)C 2230a_100102631434_100025719316 [0,0,0,0,0,1|3,0,0]=4 303 B11R1.57 CCn1nccc1CN(C)C 269982a_100102631434_100025719316 [0,0,0,0,0,1|3,0,0]=4 304 B11R1.57 CCn1nccc1CN(C)C 270004a_100102631434_100000763647 [0,0,0,0,0,1|3,0,0]=4 305 B11R1.57 CCn1nccc1OC(C)C 34a_100012181048_100000210206 [0,0,0,0,0,1|2,0,1]=4 306 B11R1.57 CCn1nccc1SC(C)C 62a_100000210206_100000728327 [0,0,0,0,0,1|2,0,1]=4 307 B11R1.57 CCn1nccc1SC(C)C 62a_100000728327_100000210206 [0,0,0,0,0,1|2,0,1]=4 308 B11R1.57 CCn1ncnc1C=C(C)C 271570a_100102525489_100009879425 [0,0,0,0,0,1|3,0,0]=4 309 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,0,0,0,0,1|1,0,2]=4 310 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,0,0,0,0,1|1,0,2]=4 311 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,0,0,0,0,1|3,0,0]=4 312 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,0,0,0,0,1|2,0,0]=3 313 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,0,0,0,0,1|3,0,0]=4 315 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,0,0,0,0,1|3,0,0]=4 319 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,0,0,0,0,1|3,0,0]=4 320 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,0,0,0,0,1|3,0,0]=4 323 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,0,0,0,0,1|2,0,0]=3 324 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,0,0,0,0,1|3,0,0]=4 326 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,0,0,0,0,1|3,0,0]=4 327 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,0,0,0,0,1|3,0,0]=4 328 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,0,0,0,0,1|3,0,0]=4 329 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.266 C=C(C)c1nccc(n1)CC 271570a_100000694244_100000100215 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,0,0,0,0,1|1,0,2]=4 333 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,0,0,0,0,1|1,0,2]=4 334 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,0,0,0,0,1|1,0,2]=4 335 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,0,0,0,0,1|1,0,2]=4 336 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,0,0,0,0,1|3,0,0]=4 337 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,0,0,0,0,1|3,0,0]=4 338 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,0,0,0,0,1|2,0,1]=4 339 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,0,1|2,0,0]=3 340 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,0,0,0,0,1|2,0,0]=3 341 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,0,0,0,0,1|2,0,0]=3 342 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,0,0,0,0,1|2,0,0]=3 343 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,0,0,0,0,1|2,0,0]=3 344 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,0,0,0,0,1|2,0,0]=3 345 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,0,0,0,0,1|2,0,0]=3 346 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,0,0,0,0,1|3,0,0]=4 347 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,0,0,0,0,1|3,0,0]=4 348 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,0,0,0,0,1|3,0,0]=4 349 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,0,0,0,0,1|3,0,0]=4 351 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,0,0,0,0,1|1,0,0]=2 353 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,0,0,0,0,1|1,0,0]=2 354 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,0,0,0,0,1|3,0,0]=4 355 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,0,0,0,0,1|3,0,0]=4 357 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,0,0,0,0,1|2,0,0]=3 359 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,0,0,0,0,1|2,0,0]=3 360 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,0,0,0,0,1|2,0,0]=3 361 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,0,0,0,0,1|3,0,0]=4 362 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,0,0,0,0,1|3,0,0]=4 363 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,0,0,0,0,1|2,0,0]=3 364 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,0,0,0,0,1|3,0,0]=4 365 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,0,0,0,0,1|3,0,0]=4 368 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,0,0,0,0,1|2,0,0]=3 369 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,0,0,0,0,1|2,0,0]=3 370 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,0,0,0,0,1|3,0,0]=4 372 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,0,0,0,0,1|3,0,0]=4 373 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,0,0,0,0,1|2,0,0]=3 374 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,0,0,0,0,1|2,0,0]=3 377 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,0,0,0,0,1|2,0,0]=3 378 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,0,0,0,0,1|3,0,0]=4 379 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,0,0,0,0,1|3,0,0]=4 380 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,0,0,0,0,1|3,0,0]=4 383 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,0,0,0,0,1|3,0,0]=4 385 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,0,0,0,0,1|3,0,0]=4 386 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,0,0,0,0,1|2,0,1]=4 387 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,0,1|2,0,0]=3 388 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,0,0,0,0,1|3,0,0]=4 389 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,0,0,0,0,1|3,0,0]=4 392 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,0,0,0,0,1|3,0,0]=4 393 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,0,0,0,0,1|3,0,0]=4 394 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,0,0,0,0,1|3,0,0]=4 395 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,1,0,0,0|1,0,1]=4 396 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,0,1,0,0,0|1,0,1]=4 397 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,1,0,0,0|0,0,2]=4 398 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,1,0,0,0|0,0,2]=4 399 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,1,0,0,0|0,0,2]=4 400 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,1,0,0,0|0,0,2]=4 401 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,1,0,0,0|0,0,2]=4 402 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [1,0,1,0,0,0|2,0,0]=4 403 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,1,0,0,0|1,0,1]=4 404 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [2,0,0,0,0,0|1,0,1]=4 405 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [2,0,0,0,0,0|1,0,1]=4 406 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [2,0,0,0,0,0|1,0,1]=4 408 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [2,0,0,0,0,0|1,0,1]=4 409 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [2,0,0,0,0,0|2,0,0]=4 426 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,1,1,0,0,0|2,0,0]=4 427 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,1,1,0,0,0|1,0,0]=3 428 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,1,1,0,0,0|1,0,0]=3 429 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,1,1,0,0,0|1,0,0]=3 430 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,1,1,0,0,0|1,0,0]=3 431 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,1,1,0,0,0|1,0,0]=3 432 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [0,1,1,0,0,0|1,0,0]=3 433 B10R0.54 C=CC(=O)N(CC)CC(=C)C 1626a_100000211296_100000185746 [0,1,1,0,0,0|1,0,1]=4 434 B10R1.5 C=C=Cc1ccnn1CC 271570a_100015277604_100000728327 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.5 C=C=Cc1nccn1CC 271570a_100015277604_100011617267 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.5 CC=Cc1ccnn1CC 271570a_100016259895_100000728327 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.5 CC=Cc1cscc1CC 271570a_100016259895_100011068457 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.5 CC=Cc1nccn1CC 271570a_100016259895_100011617267 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.5 CC=Cc1ncnn1CC 271570a_100016259895_100009879425 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.5 CC=Cc1sccc1CC 271570a_100016259895_200009875468 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.5 CCOc1ccnn1CC 34a_100012181048_100000210202 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.5 CCSc1ccnn1CC 62a_100000210202_100000728327 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.5 CCSc1ccnn1CC 62a_100000728327_100000210202 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.5 CCSc1ccsc1C=O 62a_100000210202_100000766043 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.5 CCSc1ccsc1C=O 62a_100000766043_100000210202 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.5 CCSc1cscc1C=O 62a_100000210202_100000685484 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.5 CCSc1cscc1C=O 62a_100000685484_100000210202 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.5 CCSc1nccn1CC 62a_100000210202_100011617267 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.5 CCSc1nccn1CC 62a_100011617267_100000210202 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.5 CCn1cccc1CNC 2230a_103496549365_200000210301 [1,1,0,0,0,0|0,0,1]=3 455 B10R1.5 CCn1cccc1CNC 270004a_106832991635_100011302050 [1,1,0,0,0,0|0,0,1]=3 456 B10R1.5 CCn1cccc1CNC 34a_103496549365_200000210301 [1,1,0,0,0,0|0,0,1]=3 457 B10R1.5 CCn1cccc1CN[13CH3] 2230a_103496549365_200025704644 [1,1,0,0,0,0|0,0,1]=3 458 B10R1.5 CCn1cccc1CN[13CH3] 34a_103496549365_200025704644 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.5 CCn1ccnc1CNC 207a_100102657272_100000748659 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.5 CCn1ccnc1CNC 270004a_106832991635_100000748659 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.5 CCn1ccnc1COC 7a_100000740674_200000210301 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.5 CCn1ccnc1CO[13CH3] 7a_100000740674_200025704644 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.5 CCn1ccnc1SCF 62a_100011617267_100015361967 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.5 CCn1ccnc1SCF 62a_100015361967_100011617267 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.5 CCn1cncc1CNC 207a_100102657272_100011361554 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.5 CCn1cncc1CNC 2230a_106832991635_100015185705 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.5 CCn1cncc1CNC 270004a_106832991635_100011361554 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.5 CCn1cncc1CNC 34a_100102657272_100015185705 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.5 CCn1cncc1CNC 7a_106832991635_100015185705 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.5 CCn1cncc1COC 34a_100138415774_100015185705 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.5 CCn1cncc1CSC 62a_100015185705_200000210301 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.5 CCn1cncc1CSC 62a_200000210301_100015185705 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.5 CCn1cncc1CS[13CH3] 62a_100015185705_200025704644 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.5 CCn1cncc1CS[13CH3] 62a_200025704644_100015185705 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.5 CCn1nccc1CNC 207a_100102657272_100000763647 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.5 CCn1nccc1CNC 2230a_106832991635_100025719316 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.5 CCn1nccc1CNC 270004a_106832991635_100000763647 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.5 CCn1nccc1CNC 34a_100102657272_100025719316 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.5 CCn1nccc1CNC 7a_106832991635_100025719316 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.5 CCn1nccc1COC 34a_100011962870_200000210301 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.5 CCn1nccc1COC 34a_100138415774_100025719316 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.5 CCn1nccc1CO[13CH3] 34a_100011962870_200025704644 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.5 CCn1nccc1CSC 62a_100025719316_200000210301 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.5 CCn1nccc1CSC 62a_200000210301_100025719316 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.5 CCn1nccc1CS[13CH3] 62a_100025719316_200025704644 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.5 CCn1nccc1CS[13CH3] 62a_200025704644_100025719316 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.5 CCn1nccc1OCF 34a_100012181048_100015361967 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.5 CCn1nccc1SCF 62a_100000728327_100015361967 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.5 CCn1nccc1SCF 62a_100015361967_100000728327 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.257 CCn1ncc(c1C=O)O 271570a_203496583355_100000763648 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.46 C=C(C)c1cc(cnc1CC)N 271570a_100000694244_100013085292 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.46 C=C(C)c1cc(ncc1CC)C 271570a_100000694244_100010291839 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,1,0,0,0,1|1,0,0]=3 520 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,1,0,0,0,1|1,0,0]=3 521 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,1,0,0,0,1|1,0,0]=3 567 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,1,0,0,0,1|1,0,0]=3 568 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,1,0,0,0,1|1,0,0]=3 594 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,1,0,0,0,1|1,0,0]=3 600 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,1,0,0,0,1|2,0,0]=4 634 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,1,0,0,0,1|1,0,0]=3 673 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,1,0,0,0,1|1,0,1]=4 694 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,1,0,0,0,1|2,0,0]=4 697 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [0,1,0,0,0,1|1,0,1]=4 698 B12R1.261 C=C(C)c1cccnc1C(C)N 271570a_100000694244_100159271932 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,1,0,0,0,1|2,0,0]=4 700 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [0,1,0,0,0,1|1,0,1]=4 701 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [0,1,0,0,0,1|1,0,1]=4 702 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [0,1,0,0,0,1|1,0,1]=4 703 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,1,0,0,0,1|1,0,0]=3 706 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.261 CC(=O)c1cnccc1N(C)C 27a_100102631434_100160469449 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,1,0,0,0,1|1,0,0]=3 712 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.283 C=C(C)c1ncccc1CNC 271570a_100000694244_103496529121 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.283 CC(=O)c1ccccc1CC#N 1458a_100000010604_200000210301 [0,1,0,0,0,1|1,0,1]=4 728 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.283 CC(=O)c1ccncc1OCF 7a_100009872882_100015361967 [0,1,0,0,0,1|2,0,0]=4 732 B12R1.283 CC(=O)c1ccncc1SCF 62a_100009993184_100015361967 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.283 CC(=O)c1ccncc1SCF 62a_100015361967_100009993184 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.283 CC(=O)c1cnccc1SCF 62a_100015361967_100160469449 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.283 CC(=O)c1cnccc1SCF 62a_100160469449_100015361967 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,1,0,0,0,1|2,0,0]=4 738 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,1,0,0,0,1|1,0,1]=4 741 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [0,1,0,0,0,1|1,0,1]=4 742 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [0,1,0,0,0,1|1,0,1]=4 743 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [0,1,0,0,0,1|1,0,1]=4 744 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [0,1,0,0,0,1|1,0,1]=4 745 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.283 CCNc1cccnc1C(=O)N 27a_100015525214_200012359670 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.283 CCNc1ccncc1C(=O)C 27a_100015525214_100160469449 [0,1,0,0,0,1|1,0,0]=3 748 B12R1.283 CCNc1ccncc1C(=O)N 27a_100015525214_100000697804 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,1,0,0,0,1|1,0,0]=3 750 B12R1.283 CCNc1ncccc1C(=O)N 27a_100015525214_100000162199 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,1,0,0,0,1|1,0,0]=3 753 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,1,0,0,0,1|1,0,0]=3 756 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,1,0,0,0,1|1,0,0]=3 758 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,1,0,0,0,1|1,0,0]=3 759 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.283 CCOc1ccncc1C(=O)N 34a_200011998761_100000210202 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,1,0,0,0,1|1,0,0]=3 763 B12R1.283 CCOc1cnccc1C(=O)N 7a_100012022987_100000210202 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,1,0,0,0,1|1,0,0]=3 766 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000162227_100000210202 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.283 CCSc1ccccc1C(=O)N 62a_100000210202_100000162227 [0,1,0,0,0,1|2,0,0]=4 768 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,1,0,0,0,1|1,0,0]=3 773 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,1,0,0,0,1|1,0,0]=3 774 B12R1.283 CCSc1cccnc1C(=O)N 62a_100000210202_200012359670 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.283 CCSc1cccnc1C(=O)N 62a_200012359670_100000210202 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.283 CCSc1ccncc1C(=O)C 62a_100000210202_100160469449 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.283 CCSc1ccncc1C(=O)C 62a_100160469449_100000210202 [0,1,0,0,0,1|1,0,0]=3 778 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000210202_100000697804 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.283 CCSc1ccncc1C(=O)N 62a_100000697804_100000210202 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.283 CCSc1cnccc1C(=O)C 62a_100000210202_100009993184 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.283 CCSc1cnccc1C(=O)C 62a_100009993184_100000210202 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.283 CCSc1cnccc1C(=O)N 62a_100000210202_100010205435 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.283 CCSc1cnccc1C(=O)N 62a_100010205435_100000210202 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000162199_100000210202 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.283 CCSc1ncccc1C(=O)N 62a_100000210202_100000162199 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,1,0,0,0,1|1,0,0]=3 792 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,1,0,0,0,1|1,0,0]=3 793 B12R1.283 [13CH3]C(=O)c1ccccc1CC#N 1458a_100000010604_200025704644 [0,1,0,0,0,1|1,0,1]=4 794 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.80 CCn1ccnc1C(=C(C)C)C 271570a_200000049429_100011617267 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.80 CCn1nccc1C(=C(C)C)C 271570a_200000049429_100000728327 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.82 C#CC(=O)Cc1ccnn1CC 1458a_100000211873_100025719316 [0,1,0,0,0,1|1,0,1]=4 834 B12R1.82 C#CC(=O)Cc1cncn1CC 1458a_100000211873_100015185705 [0,1,0,0,0,1|1,0,1]=4 835 B12R1.82 C=CC(=O)Cc1ccnn1CC 1458a_100000185746_100025719316 [0,1,0,0,0,1|1,0,1]=4 836 B12R1.82 C=CC(=O)Cc1cncn1CC 1458a_100000185746_100015185705 [0,1,0,0,0,1|1,0,1]=4 837 B12R1.82 CCC(=O)Cc1ccnn1CC 1458a_100000210414_100025719316 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.82 CCC(=O)Cc1cncn1CC 1458a_100000210414_100015185705 [0,1,0,0,0,1|1,0,0]=3 839 B12R1.82 CCC(=O)Cc1nncn1CC 1458a_100000210414_100015368369 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.82 CCn1cncc1CC(=O)CO 1458a_100000210174_100015185705 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.82 CCn1cnnc1CC(=O)CO 1458a_100000210174_100015368369 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.82 CCn1nccc1CC(=O)CO 1458a_100000210174_100025719316 [0,1,0,0,0,1|1,0,0]=3 843 B12R1.392 CC(=Cc1ccnn1C(C)C)C 271570a_100102525489_100010264481 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.392 CC(=Cc1cncn1C(C)C)C 271570a_100102525489_100009849687 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.392 CC(=Cc1nccn1C(C)C)C 271570a_100102525489_100009820211 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.392 CC(=O)Cc1nccn1C(C)C 1458a_100000070787_100000765451 [0,1,0,0,0,1|1,0,0]=3 847 B12R1.11 C=C(C)c1cc(cc(c1)CC)N 271570a_100000694244_100010074814 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.56 C=C(C)c1ccc(=O)n(c1)CC 271570a_100000694244_100000231005 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.56 C=C(C)c1ccc(c(n1)CC)N 271570a_100000694244_100009871203 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,0,0,0,1|1,0,0]=3 902 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,0,0,0,1|1,0,0]=3 904 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,0,0,0,1|1,0,0]=3 905 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,0,0,0,1|2,0,0]=4 930 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,1|2,0,0]=4 932 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,1,0,0,0,1|1,0,1]=4 935 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [0,1,0,0,0,1|2,0,0]=4 936 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.258 C=C(C)c1cccc(n1)C(=O)C 271570a_100000694244_100009816502 [0,1,0,0,0,1|1,0,1]=4 939 B12R1.258 C=C(C)c1cccc(n1)C(C)C 271570a_100000694244_100012318657 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.258 C=C(C)c1cccc(n1)C(C)N 271570a_100000694244_200010173468 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.258 C=C(C)c1cccc(n1)C(C)O 271570a_100000694244_100009820884 [0,1,0,0,0,1|2,0,0]=4 942 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,1,0,0,0,1|1,0,0]=3 943 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,1,0,0,0,1|1,0,0]=3 944 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.258 CC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000085735 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,1,0,0,0,1|1,0,0]=3 948 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,1,0,0,0,1|1,0,0]=3 949 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.279 C=C(C)c1cccc(c1)CCN 271570a_100000694244_100011207229 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.279 C=C(C)c1cccc(c1)CNC 271570a_100000694244_100000187585 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.279 C=C(C)c1cccc(c1)NCC 271570a_100000694244_100000738899 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.279 C=C(C)c1cccc(c1)SCC 271570a_100000694244_100000703699 [0,1,0,0,0,1|2,0,0]=4 959 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100000210202_100012123953 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100012123953_100000210202 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.279 C=C(C)c1cccc(n1)CCO 271570a_100000694244_100010221043 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.279 C=C(C)c1cccc(n1)CNC 271570a_100000694244_106354212997 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.279 C=C(C)c1cccc(n1)NCC 271570a_100000694244_200020678610 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [0,1,0,0,0,1|1,0,1]=4 966 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,1,0,0,0,1|1,0,0]=3 967 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,1,0,0,0,1|1,0,0]=3 968 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,1,0,0,0,1|1,0,0]=3 969 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100009816502_100015361967 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100015361967_100009816502 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,1,0,0,0,1|1,0,1]=4 976 B12R1.279 CC=Cc1cccc(n1)C(=O)C 271570a_100016259895_100009816502 [0,1,0,0,0,1|1,0,1]=4 977 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.279 CCNc1cccc(n1)C(=O)C 27a_100015525214_100000085735 [0,1,0,0,0,1|1,0,0]=3 979 B12R1.279 CCNc1cccc(n1)C(=O)N 27a_100015525214_100011834053 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.279 CCNc1nccc(n1)C(=O)C 27a_100015525214_100010643186 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,1,0,0,0,1|1,0,0]=3 982 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,1,0,0,0,1|1,0,0]=3 983 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,1,0,0,0,1|1,0,0]=3 984 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,1,0,0,0,1|1,0,0]=3 987 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000210202_100000685609 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210202 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,1,0,0,0,1|1,0,0]=3 990 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,1,0,0,0,1|1,0,0]=3 991 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,1,0,0,0,1|2,0,0]=4 993 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100000210202_100009816267 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210202 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100000210202_100009816502 [0,1,0,0,0,1|1,0,0]=3 996 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210202 [0,1,0,0,0,1|1,0,0]=3 997 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100000210202_100011834053 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100011834053_100000210202 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000210202_100000709912 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210202 [0,1,0,0,0,1|2,0,0]=4 1001 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100000210202_100011216243 [0,1,0,0,0,1|2,0,0]=4 1002 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210202 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.279 CCSc1nccc(n1)C(=O)C 62a_100000210202_100010643186 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.279 CCSc1nccc(n1)C(=O)C 62a_100010643186_100000210202 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,1,0,0,0,1|1,0,0]=3 1006 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,1,0,0,0,1|1,0,0]=3 1007 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,1,0,0,0,1|1,0,0]=3 1008 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,1,0,0,0,1|1,0,0]=3 1009 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,1,0,0,0,1|1,0,0]=3 1018 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,1,0,0,0,1|1,0,0]=3 1019 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,1,0,0,0,1|1,0,0]=3 1021 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,1,0,0,0,1|1,0,0]=3 1022 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,1,0,0,0,1|1,0,0]=3 1023 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [0,1,0,0,0,1|1,0,1]=4 1026 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,1,0,0,0,1|1,0,0]=3 1027 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,1,0,0,0,1|1,0,0]=3 1032 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,1,0,0,0,1|1,0,0]=3 1048 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,1,0,0,0,1|1,0,0]=3 1049 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,1,0,0,0,1|1,0,0]=3 1050 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,1,0,0,0,1|1,0,0]=3 1051 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,1,0,0,0,1|1,0,0]=3 1052 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,1,0,0,0,1|2,0,0]=4 1082 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_100009887703_200025704644 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100009887703 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,1|1,0,0]=3 1146 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,1|1,0,0]=3 1147 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_100009887703_200000210301 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_200000210301_100009887703 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.276 CC(=O)c1cc(nn1CCF)C 1458a_100010872361_200000210301 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.276 Cc1cc(n(n1)CCF)C(=O)[13CH3] 1458a_100010872361_200025704644 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.291 CCOc1cc[nH]c1C(=O)OC 34a_100000131702_100000210202 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.291 CCOc1ccsc1C(=O)OC 7a_100000043449_100000210202 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.291 CCSc1cc[nH]c1C(=O)OC 62a_100000210202_100102525103 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.291 CCSc1ccoc1C(=O)OC 62a_100000210202_100012676306 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.291 CCSc1ccsc1C(=O)OC 62a_100000210202_100000730364 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.291 CCSc1cscc1C(=O)OC 62a_100000210202_100012351140 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.291 CCSc1cscc1C(=O)OC 62a_100012351140_100000210202 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.291 CCSc1occc1C(=O)OC 62a_100000210202_100011935261 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.291 CCSc1sccc1C(=O)OC 62a_100000210202_100009822520 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.291 CCSc1sccc1C(=O)OC 62a_100009822520_100000210202 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.291 CNCc1ccoc1C(=O)OC 2230a_106832991635_100000734845 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.291 CNCc1ccoc1C(=O)OC 34a_100102657272_100000734845 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.291 CNCc1ccoc1C(=O)OC 7a_106832991635_100000734845 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.291 CNCc1occc1C(=O)OC 2230a_106832991635_100009813464 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.291 CNCc1occc1C(=O)OC 34a_100102657272_100009813464 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.291 CNCc1occc1C(=O)OC 7a_106832991635_100009813464 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.291 COC(=O)c1ccoc1CSC 62a_100009813464_200000210301 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.291 COC(=O)c1ccoc1CSC 62a_200000210301_100009813464 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.291 COC(=O)c1ccoc1CS[13CH3] 62a_100009813464_200025704644 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.291 COC(=O)c1ccoc1CS[13CH3] 62a_200025704644_100009813464 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.291 COC(=O)c1occc1CSC 62a_200000210301_100000734845 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.291 COC(=O)c1occc1CS[13CH3] 62a_200025704644_100000734845 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.291 COCc1ccoc1C(=O)OC 34a_100138415774_100000734845 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.291 COCc1occc1C(=O)OC 34a_100138415774_100009813464 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.316 CCNC(C)c1cccn1CC 269862a_100015525214_100011934003 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.386 C=C(C)c1ccnn1CCCC 271570a_100000694244_200010264484 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.386 C=C(C)c1nccn1COCC 271570a_100000694244_100000040581 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.386 CC(=O)c1sccc1SCCF 62a_100000738688_100011217306 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.386 CC(=O)c1sccc1SCCO 62a_100000738688_100000211926 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.386 CCCCc1ccsc1C(=O)C 271570a_100020621405_100000738688 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.386 CCCSc1ccsc1C(=O)C 62a_100000738688_100000210303 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.386 COCSc1ccsc1C(=O)C 62a_100000738688_100000766300 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.386 CSCSc1ccsc1C(=O)C 62a_100000738688_100011218213 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.657 C=C(C)c1c(cnn1CC)C#N 271570a_100000694244_100011155243 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.10 CCNc1cc[nH]c(=O)c1 27a_100015525214_100000061649 [0,0,1,1,0,0|1,0,1]=4 1214 B10R1.10 CCNc1cc[nH]c(=O)n1 27a_100015525214_200000134032 [0,0,1,1,0,0|2,0,0]=4 1215 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [0,0,1,1,0,0|1,0,1]=4 1216 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [0,0,1,1,0,0|1,0,0]=3 1217 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [0,0,1,1,0,0|1,0,0]=3 1218 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [0,0,1,1,0,0|1,0,1]=4 1219 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [0,0,1,1,0,0|1,0,1]=4 1220 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [0,0,1,1,0,0|1,0,1]=4 1221 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [0,0,1,1,0,0|0,0,2]=4 1222 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [0,0,1,1,0,0|0,0,2]=4 1223 B10R1.10 CCNc1cccc(n1)F 27a_100015525214_100009815982 [0,0,1,1,0,0|2,0,0]=4 1224 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [0,0,1,1,0,0|1,0,1]=4 1225 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [0,0,1,1,0,0|2,0,0]=4 1226 B10R1.10 CCNc1ccnc(n1)C 27a_100015525214_100000749937 [0,0,1,1,0,0|2,0,0]=4 1227 B10R1.10 CCNc1cncc(n1)C 27a_100015525214_100000754123 [0,0,1,1,0,0|2,0,0]=4 1228 B10R1.10 CCNc1nccc(n1)C 27a_100015525214_100000750684 [0,0,1,1,0,0|2,0,0]=4 1229 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [0,0,1,1,0,0|2,0,0]=4 1230 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [0,0,1,1,0,0|2,0,0]=4 1231 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [0,0,1,1,0,0|2,0,0]=4 1232 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [0,0,1,1,0,0|2,0,0]=4 1233 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [0,0,1,1,0,0|2,0,0]=4 1234 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [0,0,1,1,0,0|2,0,0]=4 1235 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [0,0,1,1,0,0|2,0,0]=4 1236 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [0,0,1,1,0,0|2,0,0]=4 1237 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [0,0,1,1,0,0|2,0,0]=4 1238 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,0,1,1,0,0|0,0,2]=4 1239 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,0,1,1,0,0|0,0,2]=4 1240 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,0,1,1,0,0|0,0,2]=4 1241 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,0,1,1,0,0|0,1,1]=4 1242 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,0,1,1,0,0|0,1,1]=4 1243 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,0,1,1,0,0|0,1,1]=4 1244 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,1,1,0,0|1,0,1]=4 1245 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,1,1,0,0|1,0,1]=4 1246 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,1,1,0,0|1,0,0]=3 1247 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,1,1,0,0|1,0,1]=4 1248 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,1,1,0,0|1,0,0]=3 1249 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,1,1,0,0|1,0,1]=4 1250 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [0,0,1,1,0,0|1,0,1]=4 1251 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [0,0,1,1,0,0|1,0,0]=3 1252 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [0,0,1,1,0,0|1,0,1]=4 1253 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [0,0,1,1,0,0|1,0,1]=4 1254 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [0,0,1,1,0,0|1,0,1]=4 1255 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [0,0,1,1,0,0|0,0,2]=4 1256 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [0,0,1,1,0,0|0,0,2]=4 1257 B10R1.4 CCNc1ccn[nH]c1=O 27a_100015525214_100000087129 [0,0,1,1,0,0|2,0,0]=4 1258 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [0,0,1,1,0,0|2,0,0]=4 1259 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [0,0,1,1,0,0|2,0,0]=4 1260 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [0,0,1,1,0,0|2,0,0]=4 1261 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [0,0,1,1,0,0|2,0,0]=4 1262 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [0,0,1,1,0,0|2,0,0]=4 1263 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [0,0,1,1,0,0|2,0,0]=4 1264 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,0,1,1,0,0|2,0,0]=4 1265 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,0,1,1,0,0|2,0,0]=4 1266 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [0,0,1,1,0,0|2,0,0]=4 1267 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [0,0,1,1,0,0|2,0,0]=4 1268 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [0,0,1,1,0,0|2,0,0]=4 1269 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [0,0,1,1,0,0|2,0,0]=4 1270 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [0,0,1,1,0,0|2,0,0]=4 1271 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,1,1,0,0|1,0,1]=4 1272 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,1,1,0,0|1,0,1]=4 1273 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,1|2,0,0]=4 1274 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,1|1,0,0]=3 1275 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,1|1,0,0]=3 1276 B12R2.82 CC1c2cccn2CCN1C 2230a_100000010566_200000210301 [0,1,0,1,0,0|1,0,1]=4 1277 B12R2.82 CC1c2cccn2CCN1C 269982a_100000010566_200000210301 [0,1,0,1,0,0|1,0,1]=4 1278 B12R2.82 CC1c2cccn2CCN1C 34a_100000010566_200000210301 [0,1,0,1,0,0|1,0,1]=4 1279 B12R2.82 CC1c2cccn2CCN1[13CH3] 2230a_100000010566_200025704644 [0,1,0,1,0,0|1,0,1]=4 1280 B12R2.82 CC1c2cccn2CCN1[13CH3] 269982a_100000010566_200025704644 [0,1,0,1,0,0|1,0,1]=4 1281 B12R2.82 CC1c2cccn2CCN1[13CH3] 34a_100000010566_200025704644 [0,1,0,1,0,0|1,0,1]=4 1282 B12R2.1356 CC(=O)c1sccc1C2CC2 271570a_100011220607_100000738688 [0,1,0,1,0,0|2,0,0]=4 1283 B10R0.27 C=CCN(CC)C/C=C(/C)\Cl 2230a_100020603554_100000210202 [0,0,1,0,0,1|1,0,1]=4 1284 B10R0.27 C=CCN(CC)C/C=C(/C)\Cl 269982a_100020603554_100000204670 [0,0,1,0,0,1|1,0,1]=4 1285 B10R0.72 C=C(CN(CC)CC)C(=O)C 1458a_200011356447_200000210301 [0,0,1,0,0,1|0,0,2]=4 1286 B10R0.72 C=C(CN(CC)CC)C(=O)[13CH3] 1458a_200011356447_200025704644 [0,0,1,0,0,1|0,0,2]=4 1287 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,0,0,0,0,1|1,0,1]=4 1288 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,0,0,0,1|1,0,1]=4 1289 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [1,0,0,0,0,1|1,0,1]=4 1290 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [1,0,0,0,0,1|1,0,1]=4 1291 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,0,0,0,1|2,0,0]=4 1292 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,0,0,0,1|2,0,0]=4 1293 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,0,0,0,1|2,0,0]=4 1294 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,0,0,0,1|2,0,0]=4 1295 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,0,0,0,1|2,0,0]=4 1296 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,0,0,0,1|2,0,0]=4 1297 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,0,0,0,1|2,0,0]=4 1298 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,0,0,0,1|2,0,0]=4 1299 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,0,0,0,1|2,0,0]=4 1300 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,0,0,0,1|2,0,0]=4 1301 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,0,0,0,1|2,0,0]=4 1302 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,0,0,0,1|2,0,0]=4 1303 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,0,0,0,1|2,0,0]=4 1304 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,0,0,0,1|2,0,0]=4 1305 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [1,0,0,0,0,1|2,0,0]=4 1306 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [1,0,0,0,0,1|2,0,0]=4 1307 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [1,0,0,0,0,1|2,0,0]=4 1308 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [1,0,0,0,0,1|2,0,0]=4 1309 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [1,0,0,0,0,1|2,0,0]=4 1310 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [1,0,0,0,0,1|2,0,0]=4 1311 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [1,0,0,0,0,1|2,0,0]=4 1312 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [1,0,0,0,0,1|2,0,0]=4 1313 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,0,0,0,0,1|2,0,0]=4 1314 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,0,0,0,0,1|2,0,0]=4 1315 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,0,0,0,0,1|2,0,0]=4 1316 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,0,0,0,0,1|2,0,0]=4 1317 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,0,0,0,0,1|2,0,0]=4 1318 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,0,0,0,0,1|2,0,0]=4 1319 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [1,0,0,0,0,1|2,0,0]=4 1320 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [1,0,0,0,0,1|2,0,0]=4 1321 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [1,0,0,0,0,1|2,0,0]=4 1322 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [1,0,0,0,0,1|2,0,0]=4 1323 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [1,0,0,0,0,1|2,0,0]=4 1324 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [1,0,0,0,0,1|2,0,0]=4 1325 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [1,0,0,0,0,1|2,0,0]=4 1326 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [1,0,0,0,0,1|2,0,0]=4 1327 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,0,0,0,0,1|2,0,0]=4 1328 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,0,0,0,0,1|2,0,0]=4 1329 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [1,0,0,0,0,1|2,0,0]=4 1330 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [1,0,0,0,0,1|2,0,0]=4 1331 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [1,0,0,0,0,1|2,0,0]=4 1332 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [1,0,0,0,0,1|2,0,0]=4 1333 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [1,0,0,0,0,1|2,0,0]=4 1334 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [1,0,0,0,0,1|2,0,0]=4 1335 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [1,0,0,0,0,1|2,0,0]=4 1336 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [1,0,0,0,0,1|2,0,0]=4 1337 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,0,0,0,1|1,0,1]=4 1338 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [1,0,0,0,0,1|1,0,1]=4 1339 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,0,0,0,0,1|1,0,1]=4 1340 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,0,0,0,0,1|1,0,1]=4 1341 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,0,0,0,0,1|1,0,1]=4 1342 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,0,0,0,0,1|1,0,1]=4 1343 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,0,0,0,0,1|2,0,0]=4 1344 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,0,0,0,0,1|2,0,0]=4 1345 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,0,0,0,0,1|2,0,0]=4 1346 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,0,0,0,0,1|2,0,0]=4 1347 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,0,0,0,0,1|2,0,0]=4 1348 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,0,0,0,0,1|2,0,0]=4 1349 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,0,0,0,1|2,0,0]=4 1350 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,0,0,0,1|2,0,0]=4 1351 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,0,0,0,1|2,0,0]=4 1352 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,0,0,0,1|2,0,0]=4 1353 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,0,0,0,0,1|2,0,0]=4 1354 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,0,0,0,0,1|2,0,0]=4 1355 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,0,0,0,0,1|2,0,0]=4 1356 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,0,0,0,0,1|2,0,0]=4 1357 B10R1.172 CCc1cccc(n1)SC 62a_100009856026_200000210301 [1,0,0,0,0,1|2,0,0]=4 1358 B10R1.172 CCc1cccc(n1)SC 62a_200000210301_100009856026 [1,0,0,0,0,1|2,0,0]=4 1359 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_100009856026_200025704644 [1,0,0,0,0,1|2,0,0]=4 1360 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_200025704644_100009856026 [1,0,0,0,0,1|2,0,0]=4 1361 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,0,0,0,1|2,0,0]=4 1362 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,0,0,0,1|2,0,0]=4 1363 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,0,0,0,0,1|2,0,0]=4 1364 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,0,0,0,0,1|2,0,0]=4 1365 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,0,0,0,1|2,0,0]=4 1366 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,0,0,0,1|2,0,0]=4 1367 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,0,0,0,0,1|2,0,0]=4 1368 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,0,0,0,0,1|2,0,0]=4 1369 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,0,0,0,1,1|2,0,0]=4 1370 B10R1.31 C=C(C)c1ccn(n1)CC 271570a_100000694244_100012350556 [0,0,0,0,1,1|1,0,0]=3 1371 B10R1.31 C=C(C)c1cn(cn1)CC 271570a_100000694244_100010368372 [0,0,0,0,1,1|2,0,0]=4 1372 B10R1.31 C=C(C)c1cnn(c1)CC 271570a_100000694244_100011400201 [0,0,0,0,1,1|2,0,0]=4 1373 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,0,0,0,1,1|2,0,0]=4 1374 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,0,0,0,1,1|2,0,0]=4 1375 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,0,0,0,1,1|2,0,0]=4 1376 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,0,0,0,1,1|2,0,0]=4 1377 B10R1.31 CCn1cc(nn1)C(=O)C 274090a_100000204670_100000690481 [0,0,0,0,1,1|2,0,0]=4 1378 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,0,0,0,1,1|2,0,0]=4 1379 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,0,0,0,1,1|2,0,0]=4 1380 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,0,0,0,1,1|2,0,0]=4 1381 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,0,0,0,1,1|2,0,0]=4 1382 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,0,0,0,0,2|2,0,0]=4 1383 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,0,0,0,0,2|2,0,0]=4 1384 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,0,0,0,0,2|2,0,0]=4 1385 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,0,0,0,0,2|2,0,0]=4 1386 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,0,0,0,0,2|2,0,0]=4 1387 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,0,0,0,0,2|2,0,0]=4 1388 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,0,0,0,0,2|2,0,0]=4 1389 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,0,0,0,0,2|2,0,0]=4 1390 B12R1.75 CC(=O)Nc1ccncc1S[13CH3] 62a_200025704644_100016132053 [0,0,0,0,0,2|2,0,0]=4 1391 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,0,0,0,0,2|2,0,0]=4 1392 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,0,0,0,0,2|2,0,0]=4 1393 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,0,0,0,0,2|2,0,0]=4 1394 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,0,0,0,0,2|2,0,0]=4 1395 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,0,0,0,0,2|2,0,0]=4 1396 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,0,0,0,0,2|2,0,0]=4 1398 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,0,0,0,0,2|1,0,0]=3 1399 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,0,0,0,0,2|1,0,0]=3 1400 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,0,0,0,0,2|1,0,0]=3 1401 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,0,0,0,0,2|1,0,0]=3 1402 B12R1.75 CCc1ccncc1C=C(C)C 271570a_100102525489_100009819861 [0,0,0,0,0,2|2,0,0]=4 1403 B12R1.75 CCc1cnccc1C=C(C)C 271570a_100102525489_100025704421 [0,0,0,0,0,2|2,0,0]=4 1404 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,0,0,0,0,2|2,0,0]=4 1405 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,0,0,0,0,2|2,0,0]=4 1406 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,0,0,0,0,2|2,0,0]=4 1407 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,0,0,0,0,2|2,0,0]=4 1408 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,0,0,0,0,2|2,0,0]=4 1409 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,0,0,0,0,2|2,0,0]=4 1410 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,0,0,0,0,2|2,0,0]=4 1411 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,0,0,0,0,2|2,0,0]=4 1412 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,0,0,0,0,2|2,0,0]=4 1413 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,0,0,0,0,2|2,0,0]=4 1414 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,0,0,0,0,2|2,0,0]=4 1415 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,0,0,0,0,2|2,0,0]=4 1416 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,0,0,0,0,2|2,0,0]=4 1417 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,0,0,0,0,2|2,0,0]=4 1418 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,0,0,0,0,2|2,0,0]=4 1419 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,0,0,0,0,2|2,0,0]=4 1420 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,0,0,0,0,2|2,0,0]=4 1421 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,0,0,0,0,2|2,0,0]=4 1422 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,0,0,0,0,2|2,0,0]=4 1423 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,0,0,0,0,2|2,0,0]=4 1424 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,0,0,0,0,2|2,0,0]=4 1425 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,0,0,0,0,2|2,0,0]=4 1426 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,0,0,0,0,2|2,0,0]=4 1427 B12R1.75 CSc1cnccc1NC(=O)C 62a_200000210301_100016132053 [0,0,0,0,0,2|2,0,0]=4 1428 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,0,0,0,0,2|2,0,0]=4 1429 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,0,0,0,0,2|2,0,0]=4 1430 B12R1.81 C=C(C)COc1ccnn1CC 34a_100012181048_100000748629 [0,0,0,0,0,2|2,0,0]=4 1431 B12R1.81 C=C(C)CSc1ccnn1CC 62a_100000728327_100000211660 [0,0,0,0,0,2|2,0,0]=4 1432 B12R1.81 C=C(C)CSc1ccnn1CC 62a_100000748629_100000728327 [0,0,0,0,0,2|2,0,0]=4 1433 B12R1.81 C=C(C)CSc1nccn1CC 62a_100000748629_100011617267 [0,0,0,0,0,2|2,0,0]=4 1434 B12R1.81 C=C(C)CSc1nccn1CC 62a_100011617267_100000211660 [0,0,0,0,0,2|2,0,0]=4 1435 B12R1.81 CCn1cccc1CNC(=O)C 11a_103496549365_100015343762 [0,0,0,0,0,2|0,0,0]=2 1436 B12R1.81 CCn1cccc1CNC(=O)C 1626a_103496549365_100015343762 [0,0,0,0,0,2|0,0,0]=2 1437 B12R1.81 CCn1cccc1CNC(=O)C 240690a_103496549365_100015343762 [0,0,0,0,0,2|0,0,0]=2 1438 B12R1.81 CCn1cccc1CNC(=O)C 527a_103496549365_100103153847 [0,0,0,0,0,2|0,0,0]=2 1439 B12R1.81 CCn1cccc1CNC(C)C 2230a_103496549365_100000210206 [0,0,0,0,0,2|1,0,1]=4 1440 B12R1.81 CCn1cccc1CNC(C)C 34a_103496549365_100000210206 [0,0,0,0,0,2|1,0,1]=4 1441 B12R1.81 CCn1ccnc1SCC(=O)N 62a_100000747473_100011617267 [0,0,0,0,0,2|2,0,0]=4 1442 B12R1.81 CCn1ccnc1SCC(=O)N 62a_100011617267_100000747473 [0,0,0,0,0,2|2,0,0]=4 1443 B12R1.81 CCn1ccnc1SCC(=O)[O-] 62a_100011617267_100020667443 [0,0,0,0,0,2|2,0,0]=4 1444 B12R1.81 CCn1ccnc1SCC(=O)[O-] 62a_100020667443_100011617267 [0,0,0,0,0,2|2,0,0]=4 1445 B12R1.81 CCn1cncc1CNC(=O)C 11a_100015183391_100015343762 [0,0,0,0,0,2|1,0,0]=3 1446 B12R1.81 CCn1cncc1CNC(=O)C 1626a_100015183391_100015343762 [0,0,0,0,0,2|1,0,0]=3 1447 B12R1.81 CCn1cncc1CNC(=O)C 240690a_100015183391_100015343762 [0,0,0,0,0,2|1,0,0]=3 1448 B12R1.81 CCn1cncc1CNC(=O)C 527a_100015183391_100103153847 [0,0,0,0,0,2|1,0,0]=3 1449 B12R1.81 CCn1nccc1OCC(=O)N 34a_100012181048_100000187820 [0,0,0,0,0,2|2,0,0]=4 1450 B12R1.81 CCn1nccc1OCC(=O)[O-] 34a_100012181048_100020667443 [0,0,0,0,0,2|2,0,0]=4 1451 B12R1.81 CCn1nccc1SCC(=O)N 62a_100000728327_100000747473 [0,0,0,0,0,2|2,0,0]=4 1452 B12R1.81 CCn1nccc1SCC(=O)N 62a_100000747473_100000728327 [0,0,0,0,0,2|2,0,0]=4 1453 B12R1.81 CCn1nccc1SCC(=O)[O-] 62a_100000728327_100020667443 [0,0,0,0,0,2|2,0,0]=4 1454 B12R1.81 CCn1nccc1SCC(=O)[O-] 62a_100020667443_100000728327 [0,0,0,0,0,2|2,0,0]=4 1455 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,0,0,0,0,2|2,0,0]=4 1456 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,0,0,0,0,2|2,0,0]=4 1457 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,0,0,0,0,2|2,0,0]=4 1458 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,0,0,0,0,2|2,0,0]=4 1459 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,0,0,0,0,2|2,0,0]=4 1460 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,0,0,0,0,2|2,0,0]=4 1461 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,0,0,0,0,2|2,0,0]=4 1462 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,0,0,0,0,2|2,0,0]=4 1463 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,0,0,0,0,2|2,0,0]=4 1464 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,0,0,0,0,2|2,0,0]=4 1465 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,0,0,0,0,2|2,0,0]=4 1466 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,0,0,0,0,2|2,0,0]=4 1467 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,0,0,0,0,2|2,0,0]=4 1468 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,0,0,0,0,2|2,0,0]=4 1469 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,0,0,0,0,2|2,0,0]=4 1470 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,0,0,0,0,2|2,0,0]=4 1471 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [0,0,0,0,0,2|2,0,0]=4 1472 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,0,0,0,0,2|1,0,0]=3 1473 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,0,0,0,0,2|1,0,0]=3 1474 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,0,0,0,0,2|1,0,0]=3 1475 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,0,0,0,0,2|1,0,0]=3 1476 B12R1.438 CCc1cccc(n1)C=C(C)C 271570a_100102525489_100009856026 [0,0,0,0,0,2|2,0,0]=4 1477 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,0,0,0,0,2|2,0,0]=4 1478 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,0,0,0,0,2|2,0,0]=4 1479 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,0,0,0,0,2|2,0,0]=4 1480 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,0,0,0,0,2|2,0,0]=4 1481 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,0,0,0,0,2|2,0,0]=4 1482 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,0,0,0,0,2|2,0,0]=4 1483 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,0,0,0,0,2|2,0,0]=4 1484 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,0,0,0,0,2|2,0,0]=4 1485 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,0,0,0,0,2|2,0,0]=4 1486 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,0,0,0,0,2|2,0,0]=4 1487 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,0,0,0,0,2|2,0,0]=4 1488 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,0,0,0,0,2|2,0,0]=4 1489 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,0,0,0,0,2|2,0,0]=4 1490 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,0,0,0,0,2|2,0,0]=4 1491 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,0,0,0,0,2|2,0,0]=4 1492 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,0,0,0,0,2|2,0,0]=4 1493 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,0,0,0,0,2|2,0,0]=4 1494 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,0,0,0,0,2|2,0,0]=4 1495 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,0,0,0,0,2|2,0,0]=4 1496 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,0,0,0,0,2|2,0,0]=4 1497 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,0,0,0,0,2|2,0,0]=4 1498 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,0,0,0,0,2|2,0,0]=4 1499 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,0,0,0,0,2|2,0,0]=4